NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
541752 | 2ltd | 18469 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 25.971 12.189 -2.848 2 H2 MET 1 2H MET 1 26.285 10.685 -2.149 3 H3 MET 1 3H MET 1 24.733 11.045 -2.697 4 HA MET 1 HA MET 1 25.521 11.164 -4.968 5 HB2 MET 1 2HB MET 1 28.159 10.181 -3.786 6 HB3 MET 1 1HB MET 1 27.820 10.364 -5.504 7 HG2 MET 1 2HG MET 1 27.652 12.781 -5.236 8 HG3 MET 1 1HG MET 1 27.874 12.626 -3.495 9 HE1 MET 1 3HE MET 1 31.588 11.301 -3.322 10 HE2 MET 1 1HE MET 1 30.143 10.297 -3.421 11 HE3 MET 1 2HE MET 1 30.162 11.721 -2.378 12 H ALA 2 H ALA 2 23.902 9.641 -5.048 13 HA ALA 2 HA ALA 2 24.752 6.872 -5.308 14 HB1 ALA 2 3HB ALA 2 22.929 5.961 -3.888 15 HB2 ALA 2 1HB ALA 2 22.477 7.598 -3.397 16 HB3 ALA 2 2HB ALA 2 24.044 6.935 -2.931 17 H ASP 3 H ASP 3 23.790 6.064 -7.104 18 HA ASP 3 HA ASP 3 22.035 7.617 -8.711 19 HB2 ASP 3 2HB ASP 3 23.679 5.986 -9.644 20 HB3 ASP 3 1HB ASP 3 22.754 4.657 -8.954 21 H LYS 4 H LYS 4 21.491 4.365 -7.282 22 HA LYS 4 HA LYS 4 18.700 4.433 -7.095 23 HB2 LYS 4 2HB LYS 4 20.213 2.428 -6.789 24 HB3 LYS 4 1HB LYS 4 20.650 3.038 -5.199 25 HG2 LYS 4 2HG LYS 4 18.223 2.833 -4.534 26 HG3 LYS 4 1HG LYS 4 17.905 2.080 -6.097 27 HD2 LYS 4 2HD LYS 4 19.758 1.009 -3.933 28 HD3 LYS 4 1HD LYS 4 18.159 0.381 -4.332 29 HE2 LYS 4 2HE LYS 4 18.963 -0.286 -6.563 30 HE3 LYS 4 1HE LYS 4 20.554 0.387 -6.203 31 HZ1 LYS 4 3HZ LYS 4 20.543 -1.995 -5.885 32 HZ2 LYS 4 1HZ LYS 4 19.267 -1.886 -4.786 33 HZ3 LYS 4 2HZ LYS 4 20.769 -1.224 -4.401 34 H LEU 5 H LEU 5 17.417 4.549 -5.016 35 HA LEU 5 HA LEU 5 18.146 6.918 -3.439 36 HB2 LEU 5 2HB LEU 5 15.579 5.282 -3.489 37 HB3 LEU 5 1HB LEU 5 15.886 6.608 -2.368 38 HG LEU 5 HG LEU 5 15.700 6.880 -5.399 39 HD11 LEU 5 1HD1 LEU 5 13.522 6.382 -4.401 40 HD12 LEU 5 2HD1 LEU 5 13.582 8.044 -4.978 41 HD13 LEU 5 3HD1 LEU 5 13.720 7.708 -3.250 42 HD21 LEU 5 3HD2 LEU 5 15.753 9.311 -4.978 43 HD22 LEU 5 1HD2 LEU 5 17.241 8.525 -4.457 44 HD23 LEU 5 2HD2 LEU 5 16.038 9.012 -3.260 45 H LYS 6 H LYS 6 19.079 6.658 -1.553 46 HA LYS 6 HA LYS 6 19.460 4.227 -0.184 47 HB2 LYS 6 2HB LYS 6 19.604 7.050 0.957 48 HB3 LYS 6 1HB LYS 6 20.337 5.615 1.659 49 HG2 LYS 6 2HG LYS 6 21.124 6.999 -0.923 50 HG3 LYS 6 1HG LYS 6 22.048 6.935 0.578 51 HD2 LYS 6 2HD LYS 6 21.411 4.577 -1.235 52 HD3 LYS 6 1HD LYS 6 22.969 5.391 -1.101 53 HE2 LYS 6 2HE LYS 6 23.207 4.634 1.218 54 HE3 LYS 6 1HE LYS 6 21.598 3.906 1.173 55 HZ1 LYS 6 3HZ LYS 6 23.280 2.235 0.839 56 HZ2 LYS 6 1HZ LYS 6 23.930 3.082 -0.470 57 HZ3 LYS 6 2HZ LYS 6 22.381 2.417 -0.577 58 H PHE 7 H PHE 7 18.448 3.338 1.629 59 HA PHE 7 HA PHE 7 16.187 4.574 2.947 60 HB2 PHE 7 2HB PHE 7 14.626 2.674 2.390 61 HB3 PHE 7 1HB PHE 7 15.021 3.667 0.998 62 HD1 PHE 7 HD1 PHE 7 16.466 2.767 -0.825 63 HD2 PHE 7 HD2 PHE 7 15.332 0.310 2.492 64 HE1 PHE 7 HE1 PHE 7 17.140 0.754 -2.081 65 HE2 PHE 7 HE2 PHE 7 16.010 -1.691 1.225 66 HZ PHE 7 HZ PHE 7 16.911 -1.474 -1.054 67 H GLU 8 H GLU 8 15.602 3.436 4.872 68 HA GLU 8 HA GLU 8 16.964 0.921 5.544 69 HB2 GLU 8 2HB GLU 8 18.543 2.668 6.371 70 HB3 GLU 8 1HB GLU 8 17.250 3.401 7.321 71 HG2 GLU 8 2HG GLU 8 17.051 1.299 8.644 72 HG3 GLU 8 1HG GLU 8 18.377 0.598 7.713 73 H ILE 9 H ILE 9 15.757 -0.320 6.961 74 HA ILE 9 HA ILE 9 12.995 0.580 7.405 75 HB ILE 9 HB ILE 9 14.202 -2.199 7.826 76 HG12 ILE 9 2HG1 ILE 9 12.460 -1.031 5.608 77 HG13 ILE 9 1HG1 ILE 9 14.091 -1.670 5.451 78 HG21 ILE 9 1HG2 ILE 9 11.292 -1.311 8.033 79 HG22 ILE 9 2HG2 ILE 9 12.314 -1.806 9.383 80 HG23 ILE 9 3HG2 ILE 9 11.866 -2.979 8.146 81 HD11 ILE 9 3HD1 ILE 9 13.233 -3.918 5.956 82 HD12 ILE 9 1HD1 ILE 9 12.496 -3.202 4.526 83 HD13 ILE 9 2HD1 ILE 9 11.596 -3.262 6.039 84 H ILE 10 H ILE 10 12.571 1.533 9.176 85 HA ILE 10 HA ILE 10 14.370 1.626 11.465 86 HB ILE 10 HB ILE 10 11.770 3.128 10.871 87 HG12 ILE 10 2HG1 ILE 10 13.560 3.777 9.335 88 HG13 ILE 10 1HG1 ILE 10 13.288 5.089 10.475 89 HG21 ILE 10 1HG2 ILE 10 12.346 4.631 12.764 90 HG22 ILE 10 2HG2 ILE 10 13.713 3.591 13.174 91 HG23 ILE 10 3HG2 ILE 10 12.064 2.975 13.304 92 HD11 ILE 10 3HD1 ILE 10 15.637 4.788 10.069 93 HD12 ILE 10 1HD1 ILE 10 15.549 3.092 10.536 94 HD13 ILE 10 2HD1 ILE 10 15.281 4.357 11.742 95 H GLU 11 H GLU 11 11.181 0.427 10.558 96 HA GLU 11 HA GLU 11 11.031 -1.333 12.854 97 HB2 GLU 11 2HB GLU 11 10.240 0.790 13.872 98 HB3 GLU 11 1HB GLU 11 9.007 0.958 12.624 99 HG2 GLU 11 2HG GLU 11 7.857 -1.053 13.452 100 HG3 GLU 11 1HG GLU 11 9.139 -1.327 14.632 101 H GLU 12 H GLU 12 9.477 -2.938 12.561 102 HA GLU 12 HA GLU 12 8.047 -3.063 9.971 103 HB2 GLU 12 2HB GLU 12 8.775 -5.220 11.992 104 HB3 GLU 12 1HB GLU 12 7.719 -5.514 10.612 105 HG2 GLU 12 2HG GLU 12 9.505 -5.082 9.052 106 HG3 GLU 12 1HG GLU 12 10.561 -4.502 10.339 107 H LEU 13 H LEU 13 5.828 -3.205 9.904 108 HA LEU 13 HA LEU 13 4.406 -2.795 12.495 109 HB2 LEU 13 2HB LEU 13 3.493 -2.004 9.698 110 HB3 LEU 13 1HB LEU 13 2.673 -1.630 11.207 111 HG LEU 13 HG LEU 13 5.376 -0.530 10.338 112 HD11 LEU 13 1HD1 LEU 13 3.543 0.417 9.052 113 HD12 LEU 13 2HD1 LEU 13 4.227 1.616 10.143 114 HD13 LEU 13 3HD1 LEU 13 2.685 0.847 10.536 115 HD21 LEU 13 3HD2 LEU 13 3.774 0.085 12.844 116 HD22 LEU 13 1HD2 LEU 13 5.239 0.925 12.319 117 HD23 LEU 13 2HD2 LEU 13 5.314 -0.775 12.765 118 H ILE 14 H ILE 14 3.891 -4.195 9.252 119 HA ILE 14 HA ILE 14 2.284 -6.397 10.375 120 HB ILE 14 HB ILE 14 1.338 -4.804 7.926 121 HG12 ILE 14 2HG1 ILE 14 0.232 -4.631 10.766 122 HG13 ILE 14 1HG1 ILE 14 1.109 -3.360 9.924 123 HG21 ILE 14 1HG2 ILE 14 -0.052 -6.950 9.585 124 HG22 ILE 14 2HG2 ILE 14 0.646 -7.175 7.981 125 HG23 ILE 14 3HG2 ILE 14 -0.747 -6.116 8.191 126 HD11 ILE 14 3HD1 ILE 14 -1.279 -2.951 9.966 127 HD12 ILE 14 1HD1 ILE 14 -1.578 -4.456 9.099 128 HD13 ILE 14 2HD1 ILE 14 -0.688 -3.144 8.318 129 H VAL 15 H VAL 15 2.813 -8.302 9.377 130 HA VAL 15 HA VAL 15 3.925 -8.227 6.623 131 HB VAL 15 HB VAL 15 3.907 -10.586 8.571 132 HG11 VAL 15 1HG1 VAL 15 3.884 -11.289 6.209 133 HG12 VAL 15 2HG1 VAL 15 5.433 -11.673 6.960 134 HG13 VAL 15 3HG1 VAL 15 5.299 -10.284 5.878 135 HG21 VAL 15 3HG2 VAL 15 5.407 -8.812 9.396 136 HG22 VAL 15 1HG2 VAL 15 6.235 -8.761 7.837 137 HG23 VAL 15 2HG2 VAL 15 6.336 -10.207 8.847 138 H LEU 16 H LEU 16 2.513 -8.652 5.059 139 HA LEU 16 HA LEU 16 -0.227 -9.443 5.725 140 HB2 LEU 16 2HB LEU 16 0.939 -8.500 3.076 141 HB3 LEU 16 1HB LEU 16 -0.770 -8.733 3.423 142 HG LEU 16 HG LEU 16 1.003 -6.686 4.818 143 HD11 LEU 16 1HD1 LEU 16 -1.058 -6.247 2.639 144 HD12 LEU 16 2HD1 LEU 16 0.692 -6.071 2.479 145 HD13 LEU 16 3HD1 LEU 16 -0.203 -4.983 3.536 146 HD21 LEU 16 3HD2 LEU 16 -1.062 -5.810 5.743 147 HD22 LEU 16 1HD2 LEU 16 -0.843 -7.490 6.214 148 HD23 LEU 16 2HD2 LEU 16 -1.998 -7.074 4.943 149 H SER 17 H SER 17 2.624 -10.770 4.221 150 HA SER 17 HA SER 17 1.909 -13.385 4.142 151 HB2 SER 17 2HB SER 17 1.473 -13.887 1.746 152 HB3 SER 17 1HB SER 17 0.203 -12.871 2.424 153 HG SER 17 HG SER 17 0.669 -11.438 1.013 154 H GLU 18 H GLU 18 3.311 -14.661 2.610 155 HA GLU 18 HA GLU 18 6.031 -13.485 2.361 156 HB2 GLU 18 2HB GLU 18 5.889 -14.631 4.529 157 HB3 GLU 18 1HB GLU 18 5.268 -16.091 3.763 158 HG2 GLU 18 2HG GLU 18 7.413 -16.421 2.609 159 HG3 GLU 18 1HG GLU 18 8.026 -14.918 3.292 160 H ASN 19 H ASN 19 7.251 -14.255 0.637 161 HA ASN 19 HA ASN 19 5.680 -15.719 -1.424 162 HB2 ASN 19 2HB ASN 19 6.868 -13.560 -1.974 163 HB3 ASN 19 1HB ASN 19 8.405 -14.368 -1.701 164 HD21 ASN 19 1HD2 ASN 19 9.122 -14.005 -3.804 165 HD22 ASN 19 2HD2 ASN 19 8.442 -14.791 -5.185 166 H ALA 20 H ALA 20 6.959 -17.326 -2.827 167 HA ALA 20 HA ALA 20 7.915 -19.533 -1.413 168 HB1 ALA 20 3HB ALA 20 8.443 -18.809 -4.316 169 HB2 ALA 20 1HB ALA 20 7.038 -19.680 -3.699 170 HB3 ALA 20 2HB ALA 20 8.638 -20.414 -3.601 171 H LYS 21 H LYS 21 9.780 -17.014 -3.175 172 HA LYS 21 HA LYS 21 12.349 -17.859 -2.177 173 HB2 LYS 21 2HB LYS 21 11.519 -15.217 -3.464 174 HB3 LYS 21 1HB LYS 21 13.181 -15.746 -3.207 175 HG2 LYS 21 2HG LYS 21 11.134 -17.057 -5.017 176 HG3 LYS 21 1HG LYS 21 12.527 -16.099 -5.529 177 HD2 LYS 21 2HD LYS 21 14.061 -17.796 -4.620 178 HD3 LYS 21 1HD LYS 21 12.698 -18.732 -4.001 179 HE2 LYS 21 2HE LYS 21 11.915 -19.092 -6.324 180 HE3 LYS 21 1HE LYS 21 13.311 -18.189 -6.922 181 HZ1 LYS 21 3HZ LYS 21 13.431 -20.700 -5.339 182 HZ2 LYS 21 1HZ LYS 21 14.762 -19.838 -5.921 183 HZ3 LYS 21 2HZ LYS 21 13.691 -20.567 -7.003 184 H GLY 22 H GLY 22 9.813 -16.368 -0.675 185 HA2 GLY 22 2HA GLY 22 9.902 -16.082 1.685 186 HA3 GLY 22 1HA GLY 22 11.488 -15.339 1.526 187 H TRP 23 H TRP 23 10.487 -13.867 -0.924 188 HA TRP 23 HA TRP 23 10.454 -11.362 0.090 189 HB2 TRP 23 2HB TRP 23 9.266 -12.432 -2.486 190 HB3 TRP 23 1HB TRP 23 9.191 -10.718 -2.111 191 HD1 TRP 23 HD1 TRP 23 11.973 -13.436 -2.411 192 HE1 TRP 23 HE1 TRP 23 14.029 -12.324 -3.443 193 HE3 TRP 23 HE3 TRP 23 10.219 -8.635 -2.724 194 HZ2 TRP 23 HZ2 TRP 23 14.826 -9.735 -4.287 195 HZ3 TRP 23 HZ3 TRP 23 11.690 -6.896 -3.667 196 HH2 TRP 23 HH2 TRP 23 13.949 -7.442 -4.430 197 H ARG 24 H ARG 24 9.153 -10.379 1.520 198 HA ARG 24 HA ARG 24 6.425 -11.407 1.948 199 HB2 ARG 24 2HB ARG 24 8.254 -9.772 3.768 200 HB3 ARG 24 1HB ARG 24 6.614 -10.273 4.177 201 HG2 ARG 24 2HG ARG 24 7.313 -12.642 4.053 202 HG3 ARG 24 1HG ARG 24 8.961 -12.130 3.668 203 HD2 ARG 24 2HD ARG 24 9.133 -10.986 5.825 204 HD3 ARG 24 1HD ARG 24 7.462 -11.418 6.209 205 HE ARG 24 HE ARG 24 8.873 -13.771 5.663 206 HH11 ARG 24 1HH1 ARG 24 8.793 -11.245 8.114 207 HH12 ARG 24 2HH1 ARG 24 9.364 -12.290 9.377 208 HH21 ARG 24 1HH2 ARG 24 9.641 -15.124 7.314 209 HH22 ARG 24 2HH2 ARG 24 9.846 -14.495 8.922 210 H LYS 25 H LYS 25 4.711 -10.144 1.421 211 HA LYS 25 HA LYS 25 5.238 -7.315 0.762 212 HB2 LYS 25 2HB LYS 25 3.022 -7.160 -0.124 213 HB3 LYS 25 1HB LYS 25 3.765 -8.612 -0.766 214 HG2 LYS 25 2HG LYS 25 2.426 -9.983 0.783 215 HG3 LYS 25 1HG LYS 25 1.700 -8.515 1.444 216 HD2 LYS 25 2HD LYS 25 0.170 -9.516 -0.163 217 HD3 LYS 25 1HD LYS 25 0.763 -7.984 -0.811 218 HE2 LYS 25 2HE LYS 25 0.728 -9.686 -2.557 219 HE3 LYS 25 1HE LYS 25 2.399 -9.249 -2.203 220 HZ1 LYS 25 3HZ LYS 25 0.956 -11.667 -1.278 221 HZ2 LYS 25 1HZ LYS 25 2.507 -11.241 -0.772 222 HZ3 LYS 25 2HZ LYS 25 2.218 -11.603 -2.394 223 H GLU 26 H GLU 26 5.345 -6.035 2.382 224 HA GLU 26 HA GLU 26 3.665 -6.389 4.771 225 HB2 GLU 26 2HB GLU 26 5.731 -6.116 6.178 226 HB3 GLU 26 1HB GLU 26 5.706 -7.603 5.236 227 HG2 GLU 26 2HG GLU 26 7.221 -6.553 3.571 228 HG3 GLU 26 1HG GLU 26 7.271 -5.099 4.563 229 H LEU 27 H LEU 27 3.528 -4.638 6.097 230 HA LEU 27 HA LEU 27 4.113 -1.973 4.997 231 HB2 LEU 27 2HB LEU 27 1.751 -2.405 5.494 232 HB3 LEU 27 1HB LEU 27 2.154 -2.962 7.109 233 HG LEU 27 HG LEU 27 2.889 -0.635 7.701 234 HD11 LEU 27 1HD1 LEU 27 2.287 1.260 6.264 235 HD12 LEU 27 2HD1 LEU 27 1.799 0.142 4.986 236 HD13 LEU 27 3HD1 LEU 27 3.485 0.216 5.501 237 HD21 LEU 27 3HD2 LEU 27 0.653 0.286 7.929 238 HD22 LEU 27 1HD2 LEU 27 0.639 -1.445 8.245 239 HD23 LEU 27 2HD2 LEU 27 0.037 -0.826 6.704 240 H ASN 28 H ASN 28 5.840 -1.036 5.883 241 HA ASN 28 HA ASN 28 6.496 -1.272 8.722 242 HB2 ASN 28 2HB ASN 28 8.926 -1.799 8.161 243 HB3 ASN 28 1HB ASN 28 7.802 -3.119 7.875 244 HD21 ASN 28 1HD2 ASN 28 7.288 -3.656 5.720 245 HD22 ASN 28 2HD2 ASN 28 8.336 -3.228 4.429 246 H ARG 29 H ARG 29 8.225 0.276 9.316 247 HA ARG 29 HA ARG 29 7.745 2.837 7.986 248 HB2 ARG 29 2HB ARG 29 8.818 2.125 10.755 249 HB3 ARG 29 1HB ARG 29 8.722 3.772 10.128 250 HG2 ARG 29 2HG ARG 29 6.306 3.657 10.011 251 HG3 ARG 29 1HG ARG 29 6.318 1.950 10.461 252 HD2 ARG 29 2HD ARG 29 5.691 3.441 12.346 253 HD3 ARG 29 1HD ARG 29 7.145 2.493 12.680 254 HE ARG 29 HE ARG 29 7.378 5.268 11.705 255 HH11 ARG 29 1HH1 ARG 29 7.940 2.941 14.283 256 HH12 ARG 29 2HH1 ARG 29 8.974 4.007 15.183 257 HH21 ARG 29 1HH2 ARG 29 8.738 6.655 12.885 258 HH22 ARG 29 2HH2 ARG 29 9.426 6.116 14.385 259 H VAL 30 H VAL 30 9.287 3.546 6.698 260 HA VAL 30 HA VAL 30 12.099 2.649 6.982 261 HB VAL 30 HB VAL 30 10.549 3.187 4.395 262 HG11 VAL 30 1HG1 VAL 30 13.445 2.320 4.731 263 HG12 VAL 30 2HG1 VAL 30 12.881 3.873 4.113 264 HG13 VAL 30 3HG1 VAL 30 12.574 2.398 3.194 265 HG21 VAL 30 3HG2 VAL 30 9.906 1.057 5.416 266 HG22 VAL 30 1HG2 VAL 30 11.602 0.571 5.508 267 HG23 VAL 30 2HG2 VAL 30 10.827 0.783 3.936 268 H SER 31 H SER 31 13.654 4.239 6.731 269 HA SER 31 HA SER 31 12.804 7.052 6.500 270 HB2 SER 31 2HB SER 31 15.112 7.485 7.504 271 HB3 SER 31 1HB SER 31 14.014 6.619 8.582 272 HG SER 31 HG SER 31 15.957 5.544 8.616 273 H TRP 32 H TRP 32 13.276 7.987 4.561 274 HA TRP 32 HA TRP 32 14.897 6.525 2.591 275 HB2 TRP 32 2HB TRP 32 12.808 8.734 2.356 276 HB3 TRP 32 1HB TRP 32 13.786 8.207 0.990 277 HD1 TRP 32 HD1 TRP 32 10.752 7.161 3.057 278 HE1 TRP 32 HE1 TRP 32 9.649 5.131 1.889 279 HE3 TRP 32 HE3 TRP 32 14.414 6.058 -0.357 280 HZ2 TRP 32 HZ2 TRP 32 10.274 3.287 -0.111 281 HZ3 TRP 32 HZ3 TRP 32 14.081 4.133 -1.859 282 HH2 TRP 32 HH2 TRP 32 12.046 2.777 -1.733 283 H ASN 33 H ASN 33 16.892 7.162 2.247 284 HA ASN 33 HA ASN 33 18.815 8.333 2.014 285 HB2 ASN 33 2HB ASN 33 16.869 10.498 1.101 286 HB3 ASN 33 1HB ASN 33 18.597 10.491 0.769 287 HD21 ASN 33 1HD2 ASN 33 15.531 8.944 0.030 288 HD22 ASN 33 2HD2 ASN 33 16.067 8.135 -1.395 289 H ASP 34 H ASP 34 18.179 8.238 4.618 290 HA ASP 34 HA ASP 34 18.750 9.029 6.662 291 HB2 ASP 34 2HB ASP 34 20.206 11.212 5.115 292 HB3 ASP 34 1HB ASP 34 20.405 10.902 6.836 293 H ALA 35 H ALA 35 16.327 10.149 5.168 294 HA ALA 35 HA ALA 35 15.889 12.708 6.607 295 HB1 ALA 35 3HB ALA 35 15.607 12.830 4.152 296 HB2 ALA 35 1HB ALA 35 14.078 13.138 4.986 297 HB3 ALA 35 2HB ALA 35 14.373 11.571 4.223 298 H GLU 36 H GLU 36 13.289 12.876 6.746 299 HA GLU 36 HA GLU 36 12.549 11.641 9.119 300 HB2 GLU 36 2HB GLU 36 10.578 12.717 7.048 301 HB3 GLU 36 1HB GLU 36 10.242 12.443 8.752 302 HG2 GLU 36 2HG GLU 36 10.507 14.792 8.479 303 HG3 GLU 36 1HG GLU 36 11.965 14.220 9.288 304 HA PRO 37 HA PRO 37 11.363 7.507 7.594 305 HB2 PRO 37 2HB PRO 37 10.395 6.527 9.996 306 HB3 PRO 37 1HB PRO 37 12.125 6.609 9.602 307 HG2 PRO 37 2HG PRO 37 10.481 8.529 11.227 308 HG3 PRO 37 1HG PRO 37 12.091 7.854 11.575 309 HD2 PRO 37 2HD PRO 37 11.815 10.336 10.559 310 HD3 PRO 37 1HD PRO 37 13.172 9.292 10.073 311 H LYS 38 H LYS 38 9.488 6.678 6.857 312 HA LYS 38 HA LYS 38 6.880 7.760 7.681 313 HB2 LYS 38 2HB LYS 38 6.232 7.923 5.269 314 HB3 LYS 38 1HB LYS 38 7.499 9.066 5.705 315 HG2 LYS 38 2HG LYS 38 9.189 7.719 4.615 316 HG3 LYS 38 1HG LYS 38 8.040 6.399 4.360 317 HD2 LYS 38 2HD LYS 38 8.410 7.684 2.285 318 HD3 LYS 38 1HD LYS 38 6.733 7.784 2.821 319 HE2 LYS 38 2HE LYS 38 7.268 10.034 3.826 320 HE3 LYS 38 1HE LYS 38 8.873 9.918 3.096 321 HZ1 LYS 38 3HZ LYS 38 7.349 11.186 1.719 322 HZ2 LYS 38 1HZ LYS 38 6.305 9.863 1.612 323 HZ3 LYS 38 2HZ LYS 38 7.840 9.781 0.926 324 H TYR 39 H TYR 39 5.159 6.375 6.422 325 HA TYR 39 HA TYR 39 5.693 3.585 7.005 326 HB2 TYR 39 2HB TYR 39 3.151 4.972 6.025 327 HB3 TYR 39 1HB TYR 39 3.254 3.351 6.719 328 HD1 TYR 39 HD2 TYR 39 3.691 3.058 9.136 329 HD2 TYR 39 HD1 TYR 39 3.277 6.966 7.470 330 HE1 TYR 39 HE2 TYR 39 3.496 3.998 11.395 331 HE2 TYR 39 HE1 TYR 39 3.091 7.909 9.731 332 HH TYR 39 HH TYR 39 2.596 7.278 11.966 333 H ASP 40 H ASP 40 5.794 2.032 5.498 334 HA ASP 40 HA ASP 40 5.542 2.630 2.609 335 HB2 ASP 40 2HB ASP 40 7.986 1.464 4.012 336 HB3 ASP 40 1HB ASP 40 7.686 1.165 2.302 337 H ILE 41 H ILE 41 4.780 1.008 1.376 338 HA ILE 41 HA ILE 41 4.186 -1.584 2.653 339 HB ILE 41 HB ILE 41 2.127 -0.398 3.070 340 HG12 ILE 41 2HG1 ILE 41 1.760 -2.233 0.656 341 HG13 ILE 41 1HG1 ILE 41 1.862 -2.742 2.336 342 HG21 ILE 41 1HG2 ILE 41 0.765 0.720 1.364 343 HG22 ILE 41 2HG2 ILE 41 1.997 0.383 0.147 344 HG23 ILE 41 3HG2 ILE 41 2.361 1.465 1.493 345 HD11 ILE 41 3HD1 ILE 41 -0.349 -1.102 1.100 346 HD12 ILE 41 1HD1 ILE 41 -0.241 -1.563 2.803 347 HD13 ILE 41 2HD1 ILE 41 -0.414 -2.803 1.562 348 H ARG 42 H ARG 42 4.929 -3.046 1.410 349 HA ARG 42 HA ARG 42 4.724 -3.293 -1.402 350 HB2 ARG 42 2HB ARG 42 6.984 -2.824 -2.215 351 HB3 ARG 42 1HB ARG 42 6.289 -1.375 -1.505 352 HG2 ARG 42 2HG ARG 42 7.638 -1.717 0.522 353 HG3 ARG 42 1HG ARG 42 8.350 -3.166 -0.204 354 HD2 ARG 42 2HD ARG 42 9.831 -1.202 -0.443 355 HD3 ARG 42 1HD ARG 42 9.310 -1.819 -2.014 356 HE ARG 42 HE ARG 42 7.937 0.071 -2.305 357 HH11 ARG 42 1HH1 ARG 42 9.743 0.255 0.699 358 HH12 ARG 42 2HH1 ARG 42 9.456 1.952 0.917 359 HH21 ARG 42 1HH2 ARG 42 7.525 2.320 -1.964 360 HH22 ARG 42 2HH2 ARG 42 8.211 3.109 -0.574 361 H THR 43 H THR 43 6.674 -4.863 -2.241 362 HA THR 43 HA THR 43 6.736 -7.046 -0.298 363 HB THR 43 HB THR 43 7.331 -7.096 -3.298 364 HG1 THR 43 HG1 THR 43 4.992 -6.788 -2.202 365 HG21 THR 43 3HG2 THR 43 8.395 -8.935 -2.027 366 HG22 THR 43 1HG2 THR 43 7.090 -9.547 -3.049 367 HG23 THR 43 2HG2 THR 43 6.834 -9.350 -1.312 368 H TRP 44 H TRP 44 8.571 -7.279 0.708 369 HA TRP 44 HA TRP 44 11.118 -6.105 -0.239 370 HB2 TRP 44 2HB TRP 44 10.084 -6.771 2.565 371 HB3 TRP 44 1HB TRP 44 11.746 -6.302 2.232 372 HD1 TRP 44 HD1 TRP 44 8.207 -4.809 2.461 373 HE1 TRP 44 HE1 TRP 44 8.474 -2.253 2.776 374 HE3 TRP 44 HE3 TRP 44 13.203 -4.365 1.561 375 HZ2 TRP 44 HZ2 TRP 44 10.463 -0.323 2.537 376 HZ3 TRP 44 HZ3 TRP 44 14.213 -2.130 1.606 377 HH2 TRP 44 HH2 TRP 44 12.873 -0.138 2.086 378 H SER 45 H SER 45 13.003 -7.438 0.097 379 HA SER 45 HA SER 45 12.855 -10.243 -0.045 380 HB2 SER 45 2HB SER 45 15.101 -8.512 1.076 381 HB3 SER 45 1HB SER 45 15.268 -10.174 0.503 382 HG SER 45 HG SER 45 15.019 -9.509 -1.547 383 HA PRO 46 HA PRO 46 12.026 -11.436 4.281 384 HB2 PRO 46 2HB PRO 46 13.660 -13.689 4.516 385 HB3 PRO 46 1HB PRO 46 12.060 -13.688 3.754 386 HG2 PRO 46 2HG PRO 46 14.757 -13.521 2.445 387 HG3 PRO 46 1HG PRO 46 13.334 -14.477 1.969 388 HD2 PRO 46 2HD PRO 46 13.940 -12.182 0.704 389 HD3 PRO 46 1HD PRO 46 12.243 -12.629 1.013 390 H ASP 47 H ASP 47 15.397 -11.270 3.158 391 HA ASP 47 HA ASP 47 16.531 -10.576 5.746 392 HB2 ASP 47 2HB ASP 47 17.819 -11.857 4.060 393 HB3 ASP 47 1HB ASP 47 17.709 -10.516 2.927 394 H HIS 48 H HIS 48 14.740 -8.897 3.462 395 HA HIS 48 HA HIS 48 14.180 -6.792 3.003 396 HB2 HIS 48 2HB HIS 48 15.582 -6.159 5.624 397 HB3 HIS 48 1HB HIS 48 14.568 -5.024 4.739 398 HD1 HIS 48 HD1 HIS 48 14.164 -6.507 7.675 399 HD2 HIS 48 HD2 HIS 48 11.997 -6.993 4.170 400 HE1 HIS 48 HE1 HIS 48 11.904 -7.346 8.379 401 HE2 HIS 48 HE2 HIS 48 10.567 -7.387 6.267 402 H GLU 49 H GLU 49 16.835 -7.883 2.151 403 HA GLU 49 HA GLU 49 18.750 -5.773 1.963 404 HB2 GLU 49 2HB GLU 49 19.875 -7.219 0.283 405 HB3 GLU 49 1HB GLU 49 19.437 -8.121 1.730 406 HG2 GLU 49 2HG GLU 49 17.669 -9.259 0.643 407 HG3 GLU 49 1HG GLU 49 17.641 -8.124 -0.702 408 H LYS 50 H LYS 50 15.880 -6.539 0.192 409 HA LYS 50 HA LYS 50 16.318 -4.407 -1.754 410 HB2 LYS 50 2HB LYS 50 15.585 -7.254 -2.562 411 HB3 LYS 50 1HB LYS 50 15.434 -5.854 -3.615 412 HG2 LYS 50 2HG LYS 50 17.991 -5.559 -3.235 413 HG3 LYS 50 1HG LYS 50 17.940 -7.220 -2.632 414 HD2 LYS 50 2HD LYS 50 18.517 -7.292 -4.994 415 HD3 LYS 50 1HD LYS 50 16.875 -7.914 -4.806 416 HE2 LYS 50 2HE LYS 50 15.967 -5.714 -5.496 417 HE3 LYS 50 1HE LYS 50 17.611 -5.103 -5.692 418 HZ1 LYS 50 3HZ LYS 50 17.962 -6.809 -7.396 419 HZ2 LYS 50 1HZ LYS 50 16.715 -5.744 -7.804 420 HZ3 LYS 50 2HZ LYS 50 16.354 -7.295 -7.245 421 H MET 51 H MET 51 14.277 -4.307 -3.160 422 HA MET 51 HA MET 51 11.768 -4.615 -1.714 423 HB2 MET 51 2HB MET 51 11.279 -2.210 -1.748 424 HB3 MET 51 1HB MET 51 12.716 -2.515 -0.793 425 HG2 MET 51 2HG MET 51 14.133 -1.707 -2.624 426 HG3 MET 51 1HG MET 51 12.711 -1.477 -3.643 427 HE1 MET 51 3HE MET 51 14.816 0.842 -3.240 428 HE2 MET 51 1HE MET 51 13.746 2.211 -2.943 429 HE3 MET 51 2HE MET 51 13.331 1.025 -4.178 430 H GLY 52 H GLY 52 9.935 -3.657 -3.125 431 HA2 GLY 52 2HA GLY 52 10.579 -3.182 -5.927 432 HA3 GLY 52 1HA GLY 52 9.723 -4.686 -5.601 433 H LYS 53 H LYS 53 7.796 -4.283 -6.499 434 HA LYS 53 HA LYS 53 6.456 -1.913 -6.863 435 HB2 LYS 53 2HB LYS 53 5.375 -4.748 -6.639 436 HB3 LYS 53 1HB LYS 53 4.370 -3.389 -7.129 437 HG2 LYS 53 2HG LYS 53 6.836 -4.378 -8.602 438 HG3 LYS 53 1HG LYS 53 5.159 -4.699 -9.056 439 HD2 LYS 53 2HD LYS 53 4.801 -2.242 -9.357 440 HD3 LYS 53 1HD LYS 53 6.504 -1.968 -8.972 441 HE2 LYS 53 2HE LYS 53 5.449 -3.558 -11.339 442 HE3 LYS 53 1HE LYS 53 6.123 -1.930 -11.399 443 HZ1 LYS 53 3HZ LYS 53 7.761 -3.544 -12.072 444 HZ2 LYS 53 1HZ LYS 53 7.587 -4.392 -10.619 445 HZ3 LYS 53 2HZ LYS 53 8.235 -2.838 -10.616 446 H GLY 54 H GLY 54 5.818 -0.487 -5.364 447 HA2 GLY 54 2HA GLY 54 3.750 -0.839 -3.600 448 HA3 GLY 54 1HA GLY 54 5.221 -1.066 -2.674 449 H ILE 55 H ILE 55 4.253 0.917 -1.609 450 HA ILE 55 HA ILE 55 4.920 3.403 -3.038 451 HB ILE 55 HB ILE 55 2.598 2.836 -3.706 452 HG12 ILE 55 2HG1 ILE 55 2.744 5.263 -1.868 453 HG13 ILE 55 1HG1 ILE 55 3.228 5.212 -3.559 454 HG21 ILE 55 1HG2 ILE 55 1.912 1.540 -1.733 455 HG22 ILE 55 2HG2 ILE 55 0.739 2.803 -2.103 456 HG23 ILE 55 3HG2 ILE 55 1.870 3.020 -0.766 457 HD11 ILE 55 3HD1 ILE 55 1.103 6.281 -3.325 458 HD12 ILE 55 1HD1 ILE 55 0.431 4.876 -2.498 459 HD13 ILE 55 2HD1 ILE 55 0.911 4.763 -4.194 460 H THR 56 H THR 56 5.011 5.242 -1.744 461 HA THR 56 HA THR 56 5.657 4.892 1.078 462 HB THR 56 HB THR 56 6.394 7.313 0.877 463 HG1 THR 56 HG1 THR 56 4.944 7.827 -0.884 464 HG21 THR 56 3HG2 THR 56 8.068 5.562 0.513 465 HG22 THR 56 1HG2 THR 56 8.352 6.912 -0.588 466 HG23 THR 56 2HG2 THR 56 7.596 5.434 -1.186 467 H LEU 57 H LEU 57 4.495 5.776 2.681 468 HA LEU 57 HA LEU 57 2.148 7.490 2.222 469 HB2 LEU 57 2HB LEU 57 2.281 5.131 4.166 470 HB3 LEU 57 1HB LEU 57 0.936 6.253 4.018 471 HG LEU 57 HG LEU 57 1.819 4.228 1.918 472 HD11 LEU 57 1HD1 LEU 57 0.707 3.170 3.817 473 HD12 LEU 57 2HD1 LEU 57 -0.319 3.111 2.387 474 HD13 LEU 57 3HD1 LEU 57 -0.663 4.277 3.669 475 HD21 LEU 57 3HD2 LEU 57 -0.180 4.908 0.649 476 HD22 LEU 57 1HD2 LEU 57 0.970 6.232 0.820 477 HD23 LEU 57 2HD2 LEU 57 -0.488 6.198 1.816 478 H SER 58 H SER 58 2.158 9.207 3.580 479 HA SER 58 HA SER 58 4.271 9.450 5.629 480 HB2 SER 58 2HB SER 58 2.450 11.586 4.419 481 HB3 SER 58 1HB SER 58 3.814 11.865 5.515 482 HG SER 58 HG SER 58 3.854 10.921 2.841 483 H GLU 59 H GLU 59 3.360 11.063 7.523 484 HA GLU 59 HA GLU 59 1.552 9.803 9.171 485 HB2 GLU 59 2HB GLU 59 2.413 12.699 8.884 486 HB3 GLU 59 1HB GLU 59 1.311 12.201 10.162 487 HG2 GLU 59 2HG GLU 59 4.008 10.897 9.790 488 HG3 GLU 59 1HG GLU 59 3.799 12.367 10.738 489 H GLU 60 H GLU 60 0.968 12.448 6.909 490 HA GLU 60 HA GLU 60 -1.686 13.063 7.186 491 HB2 GLU 60 2HB GLU 60 -0.300 12.773 4.486 492 HB3 GLU 60 1HB GLU 60 -1.586 13.900 4.909 493 HG2 GLU 60 2HG GLU 60 -0.121 15.294 6.130 494 HG3 GLU 60 1HG GLU 60 1.119 14.050 6.242 495 H GLU 61 H GLU 61 -0.309 10.709 4.953 496 HA GLU 61 HA GLU 61 -2.827 10.070 3.752 497 HB2 GLU 61 2HB GLU 61 -0.033 8.921 3.329 498 HB3 GLU 61 1HB GLU 61 -1.404 8.752 2.227 499 HG2 GLU 61 2HG GLU 61 -1.362 11.041 1.609 500 HG3 GLU 61 1HG GLU 61 -0.403 11.501 3.012 501 H PHE 62 H PHE 62 -0.427 8.316 5.746 502 HA PHE 62 HA PHE 62 -1.816 5.875 5.935 503 HB2 PHE 62 2HB PHE 62 0.605 6.172 6.462 504 HB3 PHE 62 1HB PHE 62 0.175 7.097 7.896 505 HD1 PHE 62 HD2 PHE 62 -0.456 3.750 6.309 506 HD2 PHE 62 HD1 PHE 62 0.052 5.943 9.950 507 HE1 PHE 62 HE2 PHE 62 -0.518 1.658 7.593 508 HE2 PHE 62 HE1 PHE 62 -0.014 3.842 11.220 509 HZ PHE 62 HZ PHE 62 -0.294 1.701 10.046 510 H GLY 63 H GLY 63 -1.900 8.851 7.941 511 HA2 GLY 63 2HA GLY 63 -3.576 7.993 9.997 512 HA3 GLY 63 1HA GLY 63 -3.449 9.641 9.403 513 H VAL 64 H VAL 64 -4.452 9.631 6.937 514 HA VAL 64 HA VAL 64 -7.240 9.487 7.125 515 HB VAL 64 HB VAL 64 -5.462 9.489 4.637 516 HG11 VAL 64 1HG1 VAL 64 -7.697 8.655 4.028 517 HG12 VAL 64 2HG1 VAL 64 -7.432 10.266 3.362 518 HG13 VAL 64 3HG1 VAL 64 -8.448 10.059 4.791 519 HG21 VAL 64 3HG2 VAL 64 -6.908 11.791 6.013 520 HG22 VAL 64 1HG2 VAL 64 -5.932 11.911 4.543 521 HG23 VAL 64 2HG2 VAL 64 -5.172 11.481 6.075 522 H LEU 65 H LEU 65 -4.873 7.074 5.895 523 HA LEU 65 HA LEU 65 -6.639 5.214 4.764 524 HB2 LEU 65 2HB LEU 65 -4.102 5.263 4.563 525 HB3 LEU 65 1HB LEU 65 -4.021 4.599 6.184 526 HG LEU 65 HG LEU 65 -5.377 2.582 5.278 527 HD11 LEU 65 1HD1 LEU 65 -6.225 3.608 3.242 528 HD12 LEU 65 2HD1 LEU 65 -5.280 2.168 2.877 529 HD13 LEU 65 3HD1 LEU 65 -4.585 3.769 2.607 530 HD21 LEU 65 3HD2 LEU 65 -2.976 2.451 5.792 531 HD22 LEU 65 1HD2 LEU 65 -2.582 3.050 4.178 532 HD23 LEU 65 2HD2 LEU 65 -3.377 1.484 4.375 533 H LEU 66 H LEU 66 -5.197 5.322 8.069 534 HA LEU 66 HA LEU 66 -6.403 3.077 9.209 535 HB2 LEU 66 2HB LEU 66 -5.581 5.706 10.519 536 HB3 LEU 66 1HB LEU 66 -6.005 4.253 11.415 537 HG LEU 66 HG LEU 66 -3.618 4.554 9.557 538 HD11 LEU 66 1HD1 LEU 66 -3.716 4.342 12.582 539 HD12 LEU 66 2HD1 LEU 66 -3.336 5.794 11.651 540 HD13 LEU 66 3HD1 LEU 66 -2.259 4.404 11.582 541 HD21 LEU 66 3HD2 LEU 66 -2.943 2.343 10.351 542 HD22 LEU 66 1HD2 LEU 66 -4.477 2.278 9.493 543 HD23 LEU 66 2HD2 LEU 66 -4.452 2.191 11.257 544 H LYS 67 H LYS 67 -7.484 6.440 9.043 545 HA LYS 67 HA LYS 67 -9.747 6.372 10.686 546 HB2 LYS 67 2HB LYS 67 -9.000 8.063 8.286 547 HB3 LYS 67 1HB LYS 67 -10.497 8.335 9.172 548 HG2 LYS 67 2HG LYS 67 -9.282 8.892 11.188 549 HG3 LYS 67 1HG LYS 67 -7.743 8.454 10.436 550 HD2 LYS 67 2HD LYS 67 -8.192 10.936 10.522 551 HD3 LYS 67 1HD LYS 67 -7.868 10.312 8.904 552 HE2 LYS 67 2HE LYS 67 -9.731 11.964 8.964 553 HE3 LYS 67 1HE LYS 67 -10.246 10.390 8.357 554 HZ1 LYS 67 3HZ LYS 67 -11.210 9.902 10.502 555 HZ2 LYS 67 1HZ LYS 67 -11.826 11.366 9.924 556 HZ3 LYS 67 2HZ LYS 67 -10.650 11.365 11.135 557 H GLU 68 H GLU 68 -9.574 6.087 7.132 558 HA GLU 68 HA GLU 68 -12.426 5.761 6.935 559 HB2 GLU 68 2HB GLU 68 -10.356 5.533 4.733 560 HB3 GLU 68 1HB GLU 68 -12.079 5.819 4.534 561 HG2 GLU 68 2HG GLU 68 -10.029 7.712 5.719 562 HG3 GLU 68 1HG GLU 68 -10.852 7.885 4.177 563 H LEU 69 H LEU 69 -9.651 3.600 6.962 564 HA LEU 69 HA LEU 69 -11.053 1.228 6.176 565 HB2 LEU 69 2HB LEU 69 -8.541 1.579 7.868 566 HB3 LEU 69 1HB LEU 69 -9.178 0.010 7.390 567 HG LEU 69 HG LEU 69 -8.091 2.151 5.525 568 HD11 LEU 69 1HD1 LEU 69 -6.994 -0.581 6.238 569 HD12 LEU 69 2HD1 LEU 69 -6.343 0.978 6.751 570 HD13 LEU 69 3HD1 LEU 69 -6.315 0.536 5.047 571 HD21 LEU 69 3HD2 LEU 69 -8.405 0.566 3.715 572 HD22 LEU 69 1HD2 LEU 69 -9.948 0.983 4.453 573 HD23 LEU 69 2HD2 LEU 69 -9.193 -0.576 4.812 574 H GLY 70 H GLY 70 -10.344 2.819 9.259 575 HA2 GLY 70 2HA GLY 70 -11.528 1.010 11.050 576 HA3 GLY 70 1HA GLY 70 -11.328 2.737 11.313 577 H ASN 71 H ASN 71 -12.909 3.613 9.107 578 HA ASN 71 HA ASN 71 -15.604 3.436 10.007 579 HB2 ASN 71 2HB ASN 71 -14.567 4.237 7.248 580 HB3 ASN 71 1HB ASN 71 -16.225 4.456 7.795 581 HD21 ASN 71 1HD2 ASN 71 -14.332 6.433 6.874 582 HD22 ASN 71 2HD2 ASN 71 -14.155 7.574 8.157 583 H LYS 72 H LYS 72 -14.234 2.218 6.959 584 HA LYS 72 HA LYS 72 -16.043 0.455 6.016 585 HB2 LYS 72 2HB LYS 72 -13.031 0.064 5.973 586 HB3 LYS 72 1HB LYS 72 -14.143 -0.913 5.007 587 HG2 LYS 72 2HG LYS 72 -14.924 1.064 3.828 588 HG3 LYS 72 1HG LYS 72 -13.908 2.101 4.837 589 HD2 LYS 72 2HD LYS 72 -11.888 0.900 3.941 590 HD3 LYS 72 1HD LYS 72 -12.958 -0.006 2.861 591 HE2 LYS 72 2HE LYS 72 -12.577 3.002 2.883 592 HE3 LYS 72 1HE LYS 72 -11.926 1.873 1.697 593 HZ1 LYS 72 3HZ LYS 72 -14.183 1.301 1.049 594 HZ2 LYS 72 1HZ LYS 72 -13.917 2.963 0.884 595 HZ3 LYS 72 2HZ LYS 72 -14.807 2.375 2.190 596 H LEU 73 H LEU 73 -14.023 -0.325 8.803 597 HA LEU 73 HA LEU 73 -14.552 -3.099 8.924 598 HB2 LEU 73 2HB LEU 73 -13.776 -1.161 11.137 599 HB3 LEU 73 1HB LEU 73 -13.856 -2.905 11.355 600 HG LEU 73 HG LEU 73 -11.975 -1.444 9.461 601 HD11 LEU 73 1HD1 LEU 73 -10.176 -2.180 10.945 602 HD12 LEU 73 2HD1 LEU 73 -11.359 -2.890 12.048 603 HD13 LEU 73 3HD1 LEU 73 -11.325 -1.143 11.790 604 HD21 LEU 73 3HD2 LEU 73 -12.599 -3.600 8.506 605 HD22 LEU 73 1HD2 LEU 73 -12.199 -4.421 10.017 606 HD23 LEU 73 2HD2 LEU 73 -10.931 -3.644 9.065 607 H GLU 74 H GLU 74 -16.762 -0.628 9.268 608 HA GLU 74 HA GLU 74 -18.656 -1.707 11.107 609 HB2 GLU 74 2HB GLU 74 -20.256 -0.186 10.023 610 HB3 GLU 74 1HB GLU 74 -18.720 0.648 10.212 611 HG2 GLU 74 2HG GLU 74 -18.251 -0.041 7.757 612 HG3 GLU 74 1HG GLU 74 -19.963 -0.434 7.667 613 H HIS 75 H HIS 75 -18.087 -2.052 7.645 614 HA HIS 75 HA HIS 75 -20.076 -4.029 7.080 615 HB2 HIS 75 2HB HIS 75 -17.478 -3.482 5.554 616 HB3 HIS 75 1HB HIS 75 -18.872 -4.366 4.941 617 HD1 HIS 75 HD1 HIS 75 -21.167 -2.796 4.919 618 HD2 HIS 75 HD2 HIS 75 -17.491 -0.862 4.806 619 HE1 HIS 75 HE1 HIS 75 -21.641 -0.489 4.052 620 HE2 HIS 75 HE2 HIS 75 -19.391 0.608 3.874 621 H HIS 76 H HIS 76 -20.051 -6.099 7.739 622 HA HIS 76 HA HIS 76 -17.674 -7.344 8.879 623 HB2 HIS 76 2HB HIS 76 -20.557 -8.303 8.550 624 HB3 HIS 76 1HB HIS 76 -19.286 -9.303 9.248 625 HD1 HIS 76 HD1 HIS 76 -19.218 -9.229 11.699 626 HD2 HIS 76 HD2 HIS 76 -20.751 -5.697 10.143 627 HE1 HIS 76 HE1 HIS 76 -19.837 -7.827 13.680 628 HE2 HIS 76 HE2 HIS 76 -20.584 -5.645 12.710 629 H HIS 77 H HIS 77 -16.773 -6.888 6.572 630 HA HIS 77 HA HIS 77 -17.347 -8.892 4.574 631 HB2 HIS 77 2HB HIS 77 -16.486 -6.515 4.057 632 HB3 HIS 77 1HB HIS 77 -14.925 -7.024 4.686 633 HD1 HIS 77 HD1 HIS 77 -17.192 -7.369 1.753 634 HD2 HIS 77 HD2 HIS 77 -13.475 -8.768 2.970 635 HE1 HIS 77 HE1 HIS 77 -16.138 -8.358 -0.289 636 HE2 HIS 77 HE2 HIS 77 -13.988 -9.353 0.514 637 H HIS 78 H HIS 78 -16.815 -10.906 5.034 638 HA HIS 78 HA HIS 78 -15.182 -11.708 7.196 639 HB2 HIS 78 2HB HIS 78 -16.447 -13.340 4.950 640 HB3 HIS 78 1HB HIS 78 -15.670 -14.054 6.358 641 HD1 HIS 78 HD1 HIS 78 -17.093 -14.381 8.381 642 HD2 HIS 78 HD2 HIS 78 -18.847 -11.802 5.637 643 HE1 HIS 78 HE1 HIS 78 -19.416 -13.971 9.227 644 HE2 HIS 78 HE2 HIS 78 -20.507 -12.555 7.461 645 H HIS 79 H HIS 79 -14.091 -10.629 4.260 646 HA HIS 79 HA HIS 79 -12.397 -10.924 2.838 647 HB2 HIS 79 2HB HIS 79 -10.127 -11.104 3.852 648 HB3 HIS 79 1HB HIS 79 -11.141 -9.873 4.581 649 HD1 HIS 79 HD1 HIS 79 -9.940 -13.405 5.318 650 HD2 HIS 79 HD2 HIS 79 -11.161 -9.971 7.312 651 HE1 HIS 79 HE1 HIS 79 -9.521 -13.843 7.751 652 HE2 HIS 79 HE2 HIS 79 -10.482 -11.851 8.931 653 H HIS 80 H HIS 80 -14.064 -13.012 3.103 654 HA HIS 80 HA HIS 80 -12.778 -15.080 1.618 655 HB2 HIS 80 2HB HIS 80 -12.231 -15.888 3.913 656 HB3 HIS 80 1HB HIS 80 -13.924 -15.762 4.382 657 HD1 HIS 80 HD1 HIS 80 -11.494 -18.010 2.732 658 HD2 HIS 80 HD2 HIS 80 -15.609 -17.800 3.214 659 HE1 HIS 80 HE1 HIS 80 -12.366 -20.277 2.103 660 HE2 HIS 80 HE2 HIS 80 -14.864 -20.048 2.210 661 H1 MET 1 1H MET 1 -4.665 -13.578 -24.982 662 H2 MET 1 2H MET 1 -4.270 -14.816 -26.060 663 H3 MET 1 3H MET 1 -4.339 -13.217 -26.595 664 HA MET 1 HA MET 1 -2.423 -14.278 -24.610 665 HB2 MET 1 2HB MET 1 -1.943 -13.444 -27.509 666 HB3 MET 1 1HB MET 1 -0.692 -13.943 -26.375 667 HG2 MET 1 2HG MET 1 -2.913 -15.685 -27.474 668 HG3 MET 1 1HG MET 1 -1.209 -15.748 -27.920 669 HE1 MET 1 3HE MET 1 0.158 -15.386 -24.952 670 HE2 MET 1 1HE MET 1 0.727 -16.514 -26.185 671 HE3 MET 1 2HE MET 1 0.390 -17.088 -24.554 672 H ALA 2 H ALA 2 -1.132 -12.730 -23.623 673 HA ALA 2 HA ALA 2 -1.277 -9.923 -24.457 674 HB1 ALA 2 3HB ALA 2 -1.981 -9.155 -22.215 675 HB2 ALA 2 1HB ALA 2 -2.166 -10.832 -21.689 676 HB3 ALA 2 2HB ALA 2 -3.212 -10.182 -22.953 677 H ASP 3 H ASP 3 0.731 -9.182 -24.422 678 HA ASP 3 HA ASP 3 2.808 -10.202 -22.621 679 HB2 ASP 3 2HB ASP 3 4.315 -8.675 -23.881 680 HB3 ASP 3 1HB ASP 3 3.428 -9.739 -24.964 681 H LYS 4 H LYS 4 0.333 -8.474 -21.918 682 HA LYS 4 HA LYS 4 1.591 -6.388 -20.279 683 HB2 LYS 4 2HB LYS 4 0.871 -5.363 -22.457 684 HB3 LYS 4 1HB LYS 4 -0.750 -6.010 -22.234 685 HG2 LYS 4 2HG LYS 4 -0.977 -4.573 -20.184 686 HG3 LYS 4 1HG LYS 4 0.598 -3.865 -20.557 687 HD2 LYS 4 2HD LYS 4 -0.263 -2.999 -22.691 688 HD3 LYS 4 1HD LYS 4 -1.818 -3.790 -22.409 689 HE2 LYS 4 2HE LYS 4 -1.911 -1.373 -21.910 690 HE3 LYS 4 1HE LYS 4 -2.227 -2.348 -20.472 691 HZ1 LYS 4 3HZ LYS 4 -0.753 -0.524 -19.992 692 HZ2 LYS 4 1HZ LYS 4 0.355 -1.040 -21.148 693 HZ3 LYS 4 2HZ LYS 4 0.062 -1.975 -19.771 694 H LEU 5 H LEU 5 0.163 -5.818 -18.426 695 HA LEU 5 HA LEU 5 -1.991 -7.766 -17.902 696 HB2 LEU 5 2HB LEU 5 -0.905 -5.632 -16.025 697 HB3 LEU 5 1HB LEU 5 -2.091 -6.874 -15.622 698 HG LEU 5 HG LEU 5 0.877 -7.280 -16.188 699 HD11 LEU 5 1HD1 LEU 5 0.379 -6.435 -13.937 700 HD12 LEU 5 2HD1 LEU 5 0.974 -8.092 -13.877 701 HD13 LEU 5 3HD1 LEU 5 -0.752 -7.769 -13.671 702 HD21 LEU 5 3HD2 LEU 5 0.542 -9.661 -15.800 703 HD22 LEU 5 1HD2 LEU 5 -0.397 -9.127 -17.191 704 HD23 LEU 5 2HD2 LEU 5 -1.200 -9.419 -15.644 705 H LYS 6 H LYS 6 -4.038 -6.961 -17.226 706 HA LYS 6 HA LYS 6 -4.855 -4.389 -18.450 707 HB2 LYS 6 2HB LYS 6 -6.379 -7.042 -18.341 708 HB3 LYS 6 1HB LYS 6 -7.052 -5.526 -18.933 709 HG2 LYS 6 2HG LYS 6 -4.700 -6.999 -20.172 710 HG3 LYS 6 1HG LYS 6 -6.360 -7.055 -20.766 711 HD2 LYS 6 2HD LYS 6 -4.605 -4.572 -20.619 712 HD3 LYS 6 1HD LYS 6 -4.964 -5.493 -22.080 713 HE2 LYS 6 2HE LYS 6 -7.000 -3.981 -20.397 714 HE3 LYS 6 1HE LYS 6 -6.344 -3.460 -21.946 715 HZ1 LYS 6 3HZ LYS 6 -7.342 -5.423 -22.962 716 HZ2 LYS 6 1HZ LYS 6 -8.501 -4.436 -22.239 717 HZ3 LYS 6 2HZ LYS 6 -8.016 -5.867 -21.481 718 H PHE 7 H PHE 7 -6.427 -3.209 -17.157 719 HA PHE 7 HA PHE 7 -6.993 -4.246 -14.487 720 HB2 PHE 7 2HB PHE 7 -6.180 -2.012 -13.532 721 HB3 PHE 7 1HB PHE 7 -4.914 -3.095 -14.077 722 HD1 PHE 7 HD1 PHE 7 -3.560 -2.548 -16.106 723 HD2 PHE 7 HD2 PHE 7 -6.561 0.147 -14.662 724 HE1 PHE 7 HE1 PHE 7 -2.617 -0.736 -17.490 725 HE2 PHE 7 HE2 PHE 7 -5.607 1.941 -16.051 726 HZ PHE 7 HZ PHE 7 -3.641 1.503 -17.463 727 H GLU 8 H GLU 8 -8.958 -3.571 -13.793 728 HA GLU 8 HA GLU 8 -10.329 -1.301 -15.079 729 HB2 GLU 8 2HB GLU 8 -11.195 -3.304 -16.224 730 HB3 GLU 8 1HB GLU 8 -11.491 -4.103 -14.681 731 HG2 GLU 8 2HG GLU 8 -13.197 -2.368 -14.133 732 HG3 GLU 8 1HG GLU 8 -12.906 -1.611 -15.698 733 H ILE 9 H ILE 9 -11.084 0.002 -13.491 734 HA ILE 9 HA ILE 9 -10.579 -0.787 -10.734 735 HB ILE 9 HB ILE 9 -11.628 1.909 -11.738 736 HG12 ILE 9 2HG1 ILE 9 -8.731 1.080 -11.183 737 HG13 ILE 9 1HG1 ILE 9 -9.420 1.326 -12.783 738 HG21 ILE 9 1HG2 ILE 9 -10.285 1.153 -9.104 739 HG22 ILE 9 2HG2 ILE 9 -12.000 1.514 -9.314 740 HG23 ILE 9 3HG2 ILE 9 -10.797 2.779 -9.569 741 HD11 ILE 9 3HD1 ILE 9 -9.767 3.691 -12.267 742 HD12 ILE 9 1HD1 ILE 9 -8.078 3.214 -12.117 743 HD13 ILE 9 2HD1 ILE 9 -9.056 3.449 -10.669 744 H ILE 10 H ILE 10 -12.091 -1.659 -9.538 745 HA ILE 10 HA ILE 10 -14.838 -1.924 -10.491 746 HB ILE 10 HB ILE 10 -13.461 -3.263 -8.108 747 HG12 ILE 10 2HG1 ILE 10 -12.381 -3.960 -10.190 748 HG13 ILE 10 1HG1 ILE 10 -13.352 -5.294 -9.582 749 HG21 ILE 10 1HG2 ILE 10 -16.140 -3.934 -9.403 750 HG22 ILE 10 2HG2 ILE 10 -15.900 -3.232 -7.801 751 HG23 ILE 10 3HG2 ILE 10 -15.349 -4.873 -8.132 752 HD11 ILE 10 3HD1 ILE 10 -13.544 -5.128 -11.973 753 HD12 ILE 10 1HD1 ILE 10 -14.056 -3.448 -11.864 754 HD13 ILE 10 2HD1 ILE 10 -15.100 -4.733 -11.245 755 H GLU 11 H GLU 11 -13.043 -0.643 -7.663 756 HA GLU 11 HA GLU 11 -15.278 1.061 -6.892 757 HB2 GLU 11 2HB GLU 11 -15.937 -1.072 -5.817 758 HB3 GLU 11 1HB GLU 11 -14.363 -1.198 -5.036 759 HG2 GLU 11 2HG GLU 11 -14.856 0.832 -3.696 760 HG3 GLU 11 1HG GLU 11 -16.414 0.991 -4.509 761 H GLU 12 H GLU 12 -14.536 2.851 -5.865 762 HA GLU 12 HA GLU 12 -11.642 3.095 -5.297 763 HB2 GLU 12 2HB GLU 12 -13.747 5.317 -5.379 764 HB3 GLU 12 1HB GLU 12 -12.008 5.534 -5.229 765 HG2 GLU 12 2HG GLU 12 -12.548 6.067 -7.486 766 HG3 GLU 12 1HG GLU 12 -11.771 4.484 -7.529 767 H LEU 13 H LEU 13 -10.921 3.091 -3.201 768 HA LEU 13 HA LEU 13 -13.008 2.706 -1.138 769 HB2 LEU 13 2HB LEU 13 -10.044 2.019 -1.143 770 HB3 LEU 13 1HB LEU 13 -11.107 1.777 0.234 771 HG LEU 13 HG LEU 13 -11.326 0.368 -2.454 772 HD11 LEU 13 1HD1 LEU 13 -9.453 -0.431 -1.120 773 HD12 LEU 13 2HD1 LEU 13 -10.725 -1.646 -1.184 774 HD13 LEU 13 3HD1 LEU 13 -10.510 -0.675 0.275 775 HD21 LEU 13 3HD2 LEU 13 -13.062 0.067 0.023 776 HD22 LEU 13 1HD2 LEU 13 -13.116 -0.973 -1.406 777 HD23 LEU 13 2HD2 LEU 13 -13.559 0.724 -1.539 778 H ILE 14 H ILE 14 -9.819 4.292 -1.415 779 HA ILE 14 HA ILE 14 -10.650 6.542 0.290 780 HB ILE 14 HB ILE 14 -8.088 4.977 0.949 781 HG12 ILE 14 2HG1 ILE 14 -10.665 4.886 2.584 782 HG13 ILE 14 1HG1 ILE 14 -10.091 3.580 1.556 783 HG21 ILE 14 1HG2 ILE 14 -8.039 6.389 2.980 784 HG22 ILE 14 2HG2 ILE 14 -9.532 7.183 2.475 785 HG23 ILE 14 3HG2 ILE 14 -8.060 7.381 1.521 786 HD11 ILE 14 3HD1 ILE 14 -8.116 3.320 2.950 787 HD12 ILE 14 1HD1 ILE 14 -9.595 3.171 3.895 788 HD13 ILE 14 2HD1 ILE 14 -8.645 4.654 3.981 789 H VAL 15 H VAL 15 -9.863 8.364 -0.763 790 HA VAL 15 HA VAL 15 -7.366 8.187 -2.320 791 HB VAL 15 HB VAL 15 -9.189 10.605 -1.902 792 HG11 VAL 15 1HG1 VAL 15 -6.869 11.253 -2.428 793 HG12 VAL 15 2HG1 VAL 15 -7.941 11.620 -3.780 794 HG13 VAL 15 3HG1 VAL 15 -6.883 10.207 -3.852 795 HG21 VAL 15 3HG2 VAL 15 -9.995 10.191 -4.206 796 HG22 VAL 15 1HG2 VAL 15 -10.360 8.829 -3.144 797 HG23 VAL 15 2HG2 VAL 15 -9.020 8.720 -4.290 798 H LEU 16 H LEU 16 -5.475 8.698 -1.421 799 HA LEU 16 HA LEU 16 -5.420 9.438 1.423 800 HB2 LEU 16 2HB LEU 16 -3.211 8.349 -0.367 801 HB3 LEU 16 1HB LEU 16 -3.116 8.557 1.377 802 HG LEU 16 HG LEU 16 -5.075 6.679 -0.006 803 HD11 LEU 16 1HD1 LEU 16 -2.476 5.974 1.381 804 HD12 LEU 16 2HD1 LEU 16 -2.802 5.872 -0.351 805 HD13 LEU 16 3HD1 LEU 16 -3.675 4.828 0.767 806 HD21 LEU 16 3HD2 LEU 16 -5.474 5.779 2.230 807 HD22 LEU 16 1HD2 LEU 16 -5.881 7.489 2.152 808 HD23 LEU 16 2HD2 LEU 16 -4.380 6.975 2.929 809 H SER 17 H SER 17 -4.582 10.750 -1.697 810 HA SER 17 HA SER 17 -4.244 13.356 -0.900 811 HB2 SER 17 2HB SER 17 -1.800 13.768 -1.206 812 HB3 SER 17 1HB SER 17 -2.121 12.734 0.185 813 HG SER 17 HG SER 17 -0.995 11.240 -0.713 814 H GLU 18 H GLU 18 -3.381 14.734 -2.627 815 HA GLU 18 HA GLU 18 -3.700 13.665 -5.369 816 HB2 GLU 18 2HB GLU 18 -5.876 14.576 -4.747 817 HB3 GLU 18 1HB GLU 18 -5.154 16.080 -4.180 818 HG2 GLU 18 2HG GLU 18 -4.602 16.767 -6.411 819 HG3 GLU 18 1HG GLU 18 -4.933 15.169 -7.064 820 H ASN 19 H ASN 19 -2.417 14.643 -6.933 821 HA ASN 19 HA ASN 19 -0.145 16.224 -5.825 822 HB2 ASN 19 2HB ASN 19 0.245 14.133 -7.168 823 HB3 ASN 19 1HB ASN 19 -0.465 14.922 -8.571 824 HD21 ASN 19 1HD2 ASN 19 1.403 14.698 -9.776 825 HD22 ASN 19 2HD2 ASN 19 2.848 15.587 -9.460 826 H ALA 20 H ALA 20 0.771 18.046 -7.222 827 HA ALA 20 HA ALA 20 -1.089 20.035 -7.939 828 HB1 ALA 20 3HB ALA 20 1.800 19.780 -8.846 829 HB2 ALA 20 1HB ALA 20 1.242 20.552 -7.359 830 HB3 ALA 20 2HB ALA 20 0.814 21.246 -8.922 831 H LYS 21 H LYS 21 0.653 17.632 -9.909 832 HA LYS 21 HA LYS 21 -0.617 18.334 -12.398 833 HB2 LYS 21 2HB LYS 21 0.668 15.646 -11.735 834 HB3 LYS 21 1HB LYS 21 0.444 16.361 -13.329 835 HG2 LYS 21 2HG LYS 21 2.349 17.263 -11.158 836 HG3 LYS 21 1HG LYS 21 2.769 16.547 -12.716 837 HD2 LYS 21 2HD LYS 21 2.020 18.546 -13.900 838 HD3 LYS 21 1HD LYS 21 1.363 19.238 -12.414 839 HE2 LYS 21 2HE LYS 21 3.698 19.293 -11.486 840 HE3 LYS 21 1HE LYS 21 4.288 18.768 -13.066 841 HZ1 LYS 21 3HZ LYS 21 2.719 21.242 -12.580 842 HZ2 LYS 21 1HZ LYS 21 3.400 20.761 -14.052 843 HZ3 LYS 21 2HZ LYS 21 4.397 21.181 -12.752 844 H GLY 22 H GLY 22 -1.635 16.672 -9.644 845 HA2 GLY 22 2HA GLY 22 -3.993 16.347 -9.359 846 HA3 GLY 22 1HA GLY 22 -4.066 15.600 -10.949 847 H TRP 23 H TRP 23 -1.434 14.207 -10.366 848 HA TRP 23 HA TRP 23 -2.346 11.664 -10.148 849 HB2 TRP 23 2HB TRP 23 0.355 12.796 -9.355 850 HB3 TRP 23 1HB TRP 23 0.034 11.068 -9.304 851 HD1 TRP 23 HD1 TRP 23 -0.082 13.931 -11.942 852 HE1 TRP 23 HE1 TRP 23 0.615 12.946 -14.194 853 HE3 TRP 23 HE3 TRP 23 0.419 9.032 -10.549 854 HZ2 TRP 23 HZ2 TRP 23 1.318 10.417 -15.255 855 HZ3 TRP 23 HZ3 TRP 23 1.116 7.385 -12.248 856 HH2 TRP 23 HH2 TRP 23 1.552 8.073 -14.554 857 H ARG 24 H ARG 24 -3.519 10.665 -8.630 858 HA ARG 24 HA ARG 24 -3.358 11.551 -5.821 859 HB2 ARG 24 2HB ARG 24 -5.575 10.138 -7.368 860 HB3 ARG 24 1HB ARG 24 -5.588 10.334 -5.615 861 HG2 ARG 24 2HG ARG 24 -5.591 12.767 -5.872 862 HG3 ARG 24 1HG ARG 24 -5.566 12.601 -7.623 863 HD2 ARG 24 2HD ARG 24 -7.760 11.780 -5.707 864 HD3 ARG 24 1HD ARG 24 -7.838 13.021 -6.956 865 HE ARG 24 HE ARG 24 -7.828 10.094 -7.383 866 HH11 ARG 24 1HH1 ARG 24 -8.420 13.331 -8.645 867 HH12 ARG 24 2HH1 ARG 24 -9.184 12.755 -10.093 868 HH21 ARG 24 1HH2 ARG 24 -8.767 9.364 -9.281 869 HH22 ARG 24 2HH2 ARG 24 -9.380 10.487 -10.457 870 H LYS 25 H LYS 25 -2.480 10.186 -4.367 871 HA LYS 25 HA LYS 25 -2.109 7.376 -5.197 872 HB2 LYS 25 2HB LYS 25 -0.651 7.037 -3.366 873 HB3 LYS 25 1HB LYS 25 -0.173 8.540 -4.130 874 HG2 LYS 25 2HG LYS 25 -1.180 9.812 -2.290 875 HG3 LYS 25 1HG LYS 25 -1.745 8.308 -1.552 876 HD2 LYS 25 2HD LYS 25 0.303 9.066 -0.445 877 HD3 LYS 25 1HD LYS 25 0.610 7.549 -1.293 878 HE2 LYS 25 2HE LYS 25 2.463 9.146 -1.601 879 HE3 LYS 25 1HE LYS 25 1.672 8.811 -3.143 880 HZ1 LYS 25 3HZ LYS 25 0.440 10.895 -2.892 881 HZ2 LYS 25 1HZ LYS 25 2.110 11.159 -2.882 882 HZ3 LYS 25 2HZ LYS 25 1.239 11.206 -1.440 883 H GLU 26 H GLU 26 -3.703 6.131 -4.886 884 HA GLU 26 HA GLU 26 -5.548 6.500 -2.616 885 HB2 GLU 26 2HB GLU 26 -7.430 6.001 -4.289 886 HB3 GLU 26 1HB GLU 26 -6.682 7.590 -4.403 887 HG2 GLU 26 2HG GLU 26 -5.352 6.853 -6.334 888 HG3 GLU 26 1HG GLU 26 -6.041 5.236 -6.208 889 H LEU 27 H LEU 27 -6.436 4.749 -1.800 890 HA LEU 27 HA LEU 27 -5.746 2.068 -2.689 891 HB2 LEU 27 2HB LEU 27 -5.623 2.579 -0.295 892 HB3 LEU 27 1HB LEU 27 -7.280 3.162 -0.295 893 HG LEU 27 HG LEU 27 -8.062 0.824 -0.816 894 HD11 LEU 27 1HD1 LEU 27 -5.169 0.037 -0.378 895 HD12 LEU 27 2HD1 LEU 27 -6.075 -0.078 -1.888 896 HD13 LEU 27 3HD1 LEU 27 -6.533 -1.079 -0.512 897 HD21 LEU 27 3HD2 LEU 27 -8.069 1.693 1.473 898 HD22 LEU 27 1HD2 LEU 27 -6.428 1.086 1.718 899 HD23 LEU 27 2HD2 LEU 27 -7.759 -0.040 1.442 900 H ASN 28 H ASN 28 -7.051 1.069 -4.015 901 HA ASN 28 HA ASN 28 -9.971 1.359 -3.969 902 HB2 ASN 28 2HB ASN 28 -9.827 1.243 -6.603 903 HB3 ASN 28 1HB ASN 28 -9.569 2.789 -5.809 904 HD21 ASN 28 1HD2 ASN 28 -7.521 3.701 -5.822 905 HD22 ASN 28 2HD2 ASN 28 -6.247 3.130 -6.829 906 H ARG 29 H ARG 29 -10.826 -0.409 -5.621 907 HA ARG 29 HA ARG 29 -9.343 -2.937 -5.408 908 HB2 ARG 29 2HB ARG 29 -12.372 -2.474 -5.549 909 HB3 ARG 29 1HB ARG 29 -11.578 -4.048 -5.454 910 HG2 ARG 29 2HG ARG 29 -10.814 -3.608 -3.211 911 HG3 ARG 29 1HG ARG 29 -11.336 -1.926 -3.302 912 HD2 ARG 29 2HD ARG 29 -12.938 -3.071 -1.972 913 HD3 ARG 29 1HD ARG 29 -13.706 -2.777 -3.532 914 HE ARG 29 HE ARG 29 -12.477 -5.372 -3.355 915 HH11 ARG 29 1HH1 ARG 29 -15.393 -3.561 -2.572 916 HH12 ARG 29 2HH1 ARG 29 -16.406 -4.969 -2.520 917 HH21 ARG 29 1HH2 ARG 29 -13.811 -7.240 -3.222 918 HH22 ARG 29 2HH2 ARG 29 -15.502 -7.057 -2.892 919 H VAL 30 H VAL 30 -8.700 -3.643 -7.324 920 HA VAL 30 HA VAL 30 -10.033 -2.799 -9.834 921 HB VAL 30 HB VAL 30 -7.042 -3.167 -9.278 922 HG11 VAL 30 1HG1 VAL 30 -8.348 -2.517 -11.936 923 HG12 VAL 30 2HG1 VAL 30 -7.538 -4.027 -11.514 924 HG13 VAL 30 3HG1 VAL 30 -6.611 -2.529 -11.612 925 HG21 VAL 30 3HG2 VAL 30 -8.573 -0.662 -10.061 926 HG22 VAL 30 1HG2 VAL 30 -6.820 -0.777 -9.870 927 HG23 VAL 30 2HG2 VAL 30 -7.878 -1.006 -8.476 928 H SER 31 H SER 31 -10.124 -4.384 -11.436 929 HA SER 31 HA SER 31 -9.654 -7.193 -10.662 930 HB2 SER 31 2HB SER 31 -12.009 -6.706 -11.307 931 HB3 SER 31 1HB SER 31 -11.466 -6.040 -12.849 932 HG SER 31 HG SER 31 -10.993 -8.703 -11.973 933 H TRP 32 H TRP 32 -7.950 -8.147 -11.687 934 HA TRP 32 HA TRP 32 -6.614 -6.700 -13.894 935 HB2 TRP 32 2HB TRP 32 -5.619 -8.790 -11.916 936 HB3 TRP 32 1HB TRP 32 -4.670 -8.244 -13.295 937 HD1 TRP 32 HD1 TRP 32 -5.786 -7.139 -9.808 938 HE1 TRP 32 HE1 TRP 32 -4.440 -5.050 -9.153 939 HE3 TRP 32 HE3 TRP 32 -3.606 -6.100 -14.330 940 HZ2 TRP 32 HZ2 TRP 32 -2.756 -3.159 -10.400 941 HZ3 TRP 32 HZ3 TRP 32 -2.147 -4.122 -14.518 942 HH2 TRP 32 HH2 TRP 32 -1.731 -2.679 -12.585 943 H ASN 33 H ASN 33 -6.791 -7.485 -15.861 944 HA ASN 33 HA ASN 33 -6.943 -8.819 -17.676 945 HB2 ASN 33 2HB ASN 33 -5.891 -10.850 -15.664 946 HB3 ASN 33 1HB ASN 33 -6.077 -11.239 -17.375 947 HD21 ASN 33 1HD2 ASN 33 -3.672 -11.193 -15.750 948 HD22 ASN 33 2HD2 ASN 33 -2.597 -10.093 -16.525 949 H ASP 34 H ASP 34 -9.330 -8.359 -16.198 950 HA ASP 34 HA ASP 34 -11.479 -8.947 -15.851 951 HB2 ASP 34 2HB ASP 34 -10.856 -10.847 -18.151 952 HB3 ASP 34 1HB ASP 34 -12.480 -10.635 -17.504 953 H ALA 35 H ALA 35 -9.393 -10.390 -14.346 954 HA ALA 35 HA ALA 35 -10.641 -13.019 -13.749 955 HB1 ALA 35 3HB ALA 35 -8.271 -13.092 -14.420 956 HB2 ALA 35 1HB ALA 35 -8.465 -13.599 -12.740 957 HB3 ALA 35 2HB ALA 35 -7.849 -11.987 -13.111 958 H GLU 36 H GLU 36 -9.494 -13.241 -11.111 959 HA GLU 36 HA GLU 36 -11.366 -12.241 -9.407 960 HB2 GLU 36 2HB GLU 36 -9.727 -12.612 -7.549 961 HB3 GLU 36 1HB GLU 36 -9.837 -13.948 -8.686 962 HG2 GLU 36 2HG GLU 36 -7.744 -13.285 -9.754 963 HG3 GLU 36 1HG GLU 36 -7.639 -11.859 -8.718 964 HA PRO 37 HA PRO 37 -10.260 -7.814 -8.974 965 HB2 PRO 37 2HB PRO 37 -12.433 -7.061 -7.491 966 HB3 PRO 37 1HB PRO 37 -12.529 -7.312 -9.246 967 HG2 PRO 37 2HG PRO 37 -13.382 -9.149 -7.041 968 HG3 PRO 37 1HG PRO 37 -14.187 -8.794 -8.584 969 HD2 PRO 37 2HD PRO 37 -12.662 -11.051 -8.152 970 HD3 PRO 37 1HD PRO 37 -12.912 -10.328 -9.756 971 H LYS 38 H LYS 38 -9.036 -6.912 -7.406 972 HA LYS 38 HA LYS 38 -9.104 -7.875 -4.644 973 HB2 LYS 38 2HB LYS 38 -6.630 -8.163 -4.662 974 HB3 LYS 38 1HB LYS 38 -7.441 -9.303 -5.728 975 HG2 LYS 38 2HG LYS 38 -6.795 -7.986 -7.694 976 HG3 LYS 38 1HG LYS 38 -6.070 -6.751 -6.656 977 HD2 LYS 38 2HD LYS 38 -4.365 -8.287 -7.636 978 HD3 LYS 38 1HD LYS 38 -4.380 -8.336 -5.870 979 HE2 LYS 38 2HE LYS 38 -5.729 -10.417 -5.959 980 HE3 LYS 38 1HE LYS 38 -5.675 -10.366 -7.723 981 HZ1 LYS 38 3HZ LYS 38 -4.032 -11.864 -6.795 982 HZ2 LYS 38 1HZ LYS 38 -3.313 -10.596 -5.942 983 HZ3 LYS 38 2HZ LYS 38 -3.291 -10.600 -7.631 984 H TYR 39 H TYR 39 -7.391 -6.525 -3.396 985 HA TYR 39 HA TYR 39 -8.098 -3.746 -3.764 986 HB2 TYR 39 2HB TYR 39 -6.431 -5.141 -1.619 987 HB3 TYR 39 1HB TYR 39 -7.009 -3.475 -1.544 988 HD1 TYR 39 HD1 TYR 39 -8.062 -7.041 -1.412 989 HD2 TYR 39 HD2 TYR 39 -9.340 -2.989 -1.015 990 HE1 TYR 39 HE1 TYR 39 -10.186 -7.798 -0.447 991 HE2 TYR 39 HE2 TYR 39 -11.466 -3.758 -0.046 992 HH TYR 39 HH TYR 39 -11.982 -6.926 1.011 993 H ASP 40 H ASP 40 -6.806 -2.226 -4.486 994 HA ASP 40 HA ASP 40 -3.945 -2.688 -5.073 995 HB2 ASP 40 2HB ASP 40 -6.118 -1.474 -6.839 996 HB3 ASP 40 1HB ASP 40 -4.422 -1.065 -7.088 997 H ILE 41 H ILE 41 -2.577 -1.058 -4.548 998 HA ILE 41 HA ILE 41 -3.687 1.540 -3.704 999 HB ILE 41 HB ILE 41 -3.569 0.386 -1.577 1000 HG12 ILE 41 2HG1 ILE 41 -1.191 2.289 -1.826 1001 HG13 ILE 41 1HG1 ILE 41 -2.865 2.761 -1.565 1002 HG21 ILE 41 1HG2 ILE 41 -1.552 -0.645 -0.640 1003 HG22 ILE 41 2HG2 ILE 41 -0.678 -0.319 -2.137 1004 HG23 ILE 41 3HG2 ILE 41 -2.038 -1.443 -2.139 1005 HD11 ILE 41 3HD1 ILE 41 -2.824 1.623 0.616 1006 HD12 ILE 41 1HD1 ILE 41 -1.625 2.908 0.486 1007 HD13 ILE 41 2HD1 ILE 41 -1.122 1.222 0.358 1008 H ARG 42 H ARG 42 -2.645 3.026 -4.707 1009 HA ARG 42 HA ARG 42 0.167 3.214 -5.170 1010 HB2 ARG 42 2HB ARG 42 0.413 2.807 -7.556 1011 HB3 ARG 42 1HB ARG 42 -0.230 1.356 -6.799 1012 HG2 ARG 42 2HG ARG 42 -2.465 1.873 -7.645 1013 HG3 ARG 42 1HG ARG 42 -1.862 3.374 -8.361 1014 HD2 ARG 42 2HD ARG 42 -2.055 1.589 -10.051 1015 HD3 ARG 42 1HD ARG 42 -0.375 2.092 -9.840 1016 HE ARG 42 HE ARG 42 0.138 0.024 -8.929 1017 HH11 ARG 42 1HH1 ARG 42 -3.345 0.225 -9.414 1018 HH12 ARG 42 2HH1 ARG 42 -3.603 -1.468 -9.139 1019 HH21 ARG 42 1HH2 ARG 42 -0.255 -2.222 -8.539 1020 HH22 ARG 42 2HH2 ARG 42 -1.881 -2.835 -8.649 1021 H THR 43 H THR 43 0.590 4.877 -7.182 1022 HA THR 43 HA THR 43 -1.268 7.089 -6.744 1023 HB THR 43 HB THR 43 1.511 7.139 -8.028 1024 HG1 THR 43 HG1 THR 43 0.909 6.805 -5.452 1025 HG21 THR 43 3HG2 THR 43 0.071 9.063 -8.632 1026 HG22 THR 43 1HG2 THR 43 1.383 9.577 -7.567 1027 HG23 THR 43 2HG2 THR 43 -0.248 9.371 -6.922 1028 H TRP 44 H TRP 44 -2.642 7.430 -8.310 1029 HA TRP 44 HA TRP 44 -2.291 6.364 -11.048 1030 HB2 TRP 44 2HB TRP 44 -4.790 7.057 -9.420 1031 HB3 TRP 44 1HB TRP 44 -4.830 6.684 -11.136 1032 HD1 TRP 44 HD1 TRP 44 -4.520 4.975 -7.707 1033 HE1 TRP 44 HE1 TRP 44 -4.989 2.454 -8.044 1034 HE3 TRP 44 HE3 TRP 44 -4.483 4.782 -12.819 1035 HZ2 TRP 44 HZ2 TRP 44 -5.232 0.636 -10.146 1036 HZ3 TRP 44 HZ3 TRP 44 -4.834 2.606 -13.915 1037 HH2 TRP 44 HH2 TRP 44 -5.201 0.570 -12.604 1038 H SER 45 H SER 45 -2.929 7.804 -12.749 1039 HA SER 45 HA SER 45 -2.613 10.601 -12.479 1040 HB2 SER 45 2HB SER 45 -4.114 9.025 -14.614 1041 HB3 SER 45 1HB SER 45 -3.521 10.680 -14.785 1042 HG SER 45 HG SER 45 -1.536 9.957 -15.037 1043 HA PRO 46 HA PRO 46 -6.707 12.018 -11.043 1044 HB2 PRO 46 2HB PRO 46 -7.193 14.156 -12.799 1045 HB3 PRO 46 1HB PRO 46 -6.187 14.252 -11.341 1046 HG2 PRO 46 2HG PRO 46 -5.322 13.853 -14.190 1047 HG3 PRO 46 1HG PRO 46 -4.611 14.894 -12.932 1048 HD2 PRO 46 2HD PRO 46 -3.481 12.542 -13.540 1049 HD3 PRO 46 1HD PRO 46 -3.551 13.094 -11.850 1050 H ASP 47 H ASP 47 -6.181 11.528 -14.483 1051 HA ASP 47 HA ASP 47 -8.977 10.894 -15.058 1052 HB2 ASP 47 2HB ASP 47 -6.509 10.937 -16.858 1053 HB3 ASP 47 1HB ASP 47 -8.148 10.610 -17.418 1054 H HIS 48 H HIS 48 -6.461 9.201 -13.717 1055 HA HIS 48 HA HIS 48 -5.864 7.049 -13.390 1056 HB2 HIS 48 2HB HIS 48 -8.689 6.501 -14.393 1057 HB3 HIS 48 1HB HIS 48 -7.645 5.251 -13.722 1058 HD1 HIS 48 HD1 HIS 48 -10.301 7.366 -12.698 1059 HD2 HIS 48 HD2 HIS 48 -6.745 6.125 -10.962 1060 HE1 HIS 48 HE1 HIS 48 -10.583 7.727 -10.229 1061 HE2 HIS 48 HE2 HIS 48 -8.502 6.773 -9.206 1062 H GLU 49 H GLU 49 -5.579 8.356 -16.120 1063 HA GLU 49 HA GLU 49 -5.666 6.355 -18.157 1064 HB2 GLU 49 2HB GLU 49 -4.375 8.025 -19.502 1065 HB3 GLU 49 1HB GLU 49 -5.793 8.738 -18.737 1066 HG2 GLU 49 2HG GLU 49 -4.386 9.737 -16.988 1067 HG3 GLU 49 1HG GLU 49 -2.958 8.964 -17.672 1068 H LYS 50 H LYS 50 -3.367 7.227 -15.702 1069 HA LYS 50 HA LYS 50 -1.507 5.153 -16.594 1070 HB2 LYS 50 2HB LYS 50 -0.583 7.908 -15.690 1071 HB3 LYS 50 1HB LYS 50 0.454 6.541 -16.075 1072 HG2 LYS 50 2HG LYS 50 -0.417 6.679 -18.455 1073 HG3 LYS 50 1HG LYS 50 -1.228 8.182 -17.994 1074 HD2 LYS 50 2HD LYS 50 0.882 8.794 -19.003 1075 HD3 LYS 50 1HD LYS 50 1.014 9.074 -17.265 1076 HE2 LYS 50 2HE LYS 50 2.226 6.934 -17.012 1077 HE3 LYS 50 1HE LYS 50 2.102 6.670 -18.751 1078 HZ1 LYS 50 3HZ LYS 50 4.254 7.567 -18.162 1079 HZ2 LYS 50 1HZ LYS 50 3.533 8.916 -17.444 1080 HZ3 LYS 50 2HZ LYS 50 3.404 8.675 -19.107 1081 H MET 51 H MET 51 0.218 4.997 -14.772 1082 HA MET 51 HA MET 51 -0.783 5.158 -12.067 1083 HB2 MET 51 2HB MET 51 -0.886 2.720 -11.699 1084 HB3 MET 51 1HB MET 51 -2.072 3.224 -12.887 1085 HG2 MET 51 2HG MET 51 -0.653 2.357 -14.699 1086 HG3 MET 51 1HG MET 51 0.582 1.897 -13.523 1087 HE1 MET 51 3HE MET 51 -0.612 -0.148 -15.675 1088 HE2 MET 51 1HE MET 51 -0.834 -1.577 -14.665 1089 HE3 MET 51 2HE MET 51 0.612 -0.586 -14.480 1090 H GLY 52 H GLY 52 0.809 3.934 -10.567 1091 HA2 GLY 52 2HA GLY 52 3.455 3.417 -11.683 1092 HA3 GLY 52 1HA GLY 52 3.331 4.879 -10.705 1093 H LYS 53 H LYS 53 4.556 4.278 -9.021 1094 HA LYS 53 HA LYS 53 5.052 1.780 -7.997 1095 HB2 LYS 53 2HB LYS 53 5.122 4.433 -6.516 1096 HB3 LYS 53 1HB LYS 53 5.924 2.955 -5.988 1097 HG2 LYS 53 2HG LYS 53 7.376 3.005 -7.975 1098 HG3 LYS 53 1HG LYS 53 6.559 4.464 -8.551 1099 HD2 LYS 53 2HD LYS 53 8.139 4.224 -5.956 1100 HD3 LYS 53 1HD LYS 53 8.710 4.997 -7.435 1101 HE2 LYS 53 2HE LYS 53 6.971 6.715 -7.252 1102 HE3 LYS 53 1HE LYS 53 6.281 5.909 -5.841 1103 HZ1 LYS 53 3HZ LYS 53 9.002 7.097 -5.983 1104 HZ2 LYS 53 1HZ LYS 53 8.321 6.346 -4.633 1105 HZ3 LYS 53 2HZ LYS 53 7.670 7.791 -5.214 1106 H GLY 54 H GLY 54 3.740 0.358 -7.037 1107 HA2 GLY 54 2HA GLY 54 2.314 0.784 -4.694 1108 HA3 GLY 54 1HA GLY 54 1.187 0.873 -6.040 1109 H ILE 55 H ILE 55 0.424 -1.050 -4.655 1110 HA ILE 55 HA ILE 55 1.654 -3.542 -5.605 1111 HB ILE 55 HB ILE 55 2.848 -2.994 -3.515 1112 HG12 ILE 55 2HG1 ILE 55 0.954 -5.349 -3.123 1113 HG13 ILE 55 1HG1 ILE 55 2.452 -5.378 -4.046 1114 HG21 ILE 55 1HG2 ILE 55 1.738 -2.878 -1.329 1115 HG22 ILE 55 2HG2 ILE 55 0.163 -3.052 -2.107 1116 HG23 ILE 55 3HG2 ILE 55 1.143 -1.615 -2.410 1117 HD11 ILE 55 3HD1 ILE 55 2.203 -4.957 -1.072 1118 HD12 ILE 55 1HD1 ILE 55 3.710 -4.930 -1.996 1119 HD13 ILE 55 2HD1 ILE 55 2.757 -6.408 -1.907 1120 H THR 56 H THR 56 0.362 -5.333 -5.454 1121 HA THR 56 HA THR 56 -2.546 -4.967 -5.288 1122 HB THR 56 HB THR 56 -2.485 -7.335 -6.343 1123 HG1 THR 56 HG1 THR 56 -0.365 -7.686 -7.417 1124 HG21 THR 56 3HG2 THR 56 -2.916 -5.359 -7.754 1125 HG22 THR 56 1HG2 THR 56 -1.917 -6.536 -8.608 1126 HG23 THR 56 2HG2 THR 56 -1.178 -5.088 -7.920 1127 H LEU 57 H LEU 57 -3.734 -6.053 -3.828 1128 HA LEU 57 HA LEU 57 -2.549 -7.835 -1.806 1129 HB2 LEU 57 2HB LEU 57 -4.461 -5.512 -1.235 1130 HB3 LEU 57 1HB LEU 57 -3.845 -6.647 -0.045 1131 HG LEU 57 HG LEU 57 -2.214 -4.546 -1.528 1132 HD11 LEU 57 1HD1 LEU 57 -3.677 -3.547 0.141 1133 HD12 LEU 57 2HD1 LEU 57 -1.998 -3.460 0.669 1134 HD13 LEU 57 3HD1 LEU 57 -3.082 -4.661 1.379 1135 HD21 LEU 57 3HD2 LEU 57 -0.344 -5.186 -0.056 1136 HD22 LEU 57 1HD2 LEU 57 -0.833 -6.506 -1.115 1137 HD23 LEU 57 2HD2 LEU 57 -1.304 -6.524 0.586 1138 H SER 58 H SER 58 -3.900 -9.523 -1.339 1139 HA SER 58 HA SER 58 -6.372 -9.882 -2.865 1140 HB2 SER 58 2HB SER 58 -4.975 -11.777 -0.913 1141 HB3 SER 58 1HB SER 58 -6.270 -12.196 -2.040 1142 HG SER 58 HG SER 58 -3.735 -11.179 -2.807 1143 H GLU 59 H GLU 59 -8.323 -10.835 -1.533 1144 HA GLU 59 HA GLU 59 -9.109 -9.000 0.444 1145 HB2 GLU 59 2HB GLU 59 -10.276 -11.778 0.012 1146 HB3 GLU 59 1HB GLU 59 -11.046 -10.437 0.860 1147 HG2 GLU 59 2HG GLU 59 -10.713 -9.175 -1.448 1148 HG3 GLU 59 1HG GLU 59 -10.597 -10.806 -2.098 1149 H GLU 60 H GLU 60 -7.605 -12.173 0.719 1150 HA GLU 60 HA GLU 60 -7.690 -12.594 3.496 1151 HB2 GLU 60 2HB GLU 60 -5.537 -13.427 1.497 1152 HB3 GLU 60 1HB GLU 60 -5.763 -14.122 3.104 1153 HG2 GLU 60 2HG GLU 60 -7.940 -15.016 2.460 1154 HG3 GLU 60 1HG GLU 60 -7.824 -14.235 0.884 1155 H GLU 61 H GLU 61 -5.208 -11.044 1.482 1156 HA GLU 61 HA GLU 61 -3.307 -10.627 3.577 1157 HB2 GLU 61 2HB GLU 61 -3.400 -9.323 0.815 1158 HB3 GLU 61 1HB GLU 61 -1.984 -9.501 1.856 1159 HG2 GLU 61 2HG GLU 61 -2.070 -11.932 1.621 1160 HG3 GLU 61 1HG GLU 61 -3.543 -11.812 0.660 1161 H PHE 62 H PHE 62 -5.425 -8.454 1.740 1162 HA PHE 62 HA PHE 62 -4.981 -6.087 3.200 1163 HB2 PHE 62 2HB PHE 62 -6.023 -6.173 0.940 1164 HB3 PHE 62 1HB PHE 62 -7.446 -6.949 1.626 1165 HD1 PHE 62 HD2 PHE 62 -5.452 -3.809 1.614 1166 HD2 PHE 62 HD1 PHE 62 -9.190 -5.631 2.631 1167 HE1 PHE 62 HE2 PHE 62 -6.426 -1.598 2.051 1168 HE2 PHE 62 HE1 PHE 62 -10.148 -3.414 3.067 1169 HZ PHE 62 HZ PHE 62 -8.769 -1.403 2.775 1170 H GLY 63 H GLY 63 -7.189 -8.840 3.679 1171 HA2 GLY 63 2HA GLY 63 -8.708 -7.933 5.823 1172 HA3 GLY 63 1HA GLY 63 -8.216 -9.599 5.563 1173 H VAL 64 H VAL 64 -5.521 -9.565 5.850 1174 HA VAL 64 HA VAL 64 -4.997 -9.452 8.606 1175 HB VAL 64 HB VAL 64 -3.001 -9.389 6.291 1176 HG11 VAL 64 1HG1 VAL 64 -1.912 -8.641 8.369 1177 HG12 VAL 64 2HG1 VAL 64 -1.321 -10.235 7.898 1178 HG13 VAL 64 3HG1 VAL 64 -2.491 -10.079 9.213 1179 HG21 VAL 64 3HG2 VAL 64 -4.458 -11.369 6.230 1180 HG22 VAL 64 1HG2 VAL 64 -4.040 -11.750 7.902 1181 HG23 VAL 64 2HG2 VAL 64 -2.805 -11.824 6.642 1182 H LEU 65 H LEU 65 -4.404 -7.041 5.997 1183 HA LEU 65 HA LEU 65 -2.931 -5.151 7.453 1184 HB2 LEU 65 2HB LEU 65 -3.363 -5.190 4.939 1185 HB3 LEU 65 1HB LEU 65 -4.960 -4.546 5.270 1186 HG LEU 65 HG LEU 65 -3.771 -2.525 6.370 1187 HD11 LEU 65 1HD1 LEU 65 -1.356 -3.657 4.932 1188 HD12 LEU 65 2HD1 LEU 65 -1.570 -3.531 6.679 1189 HD13 LEU 65 3HD1 LEU 65 -1.473 -2.070 5.704 1190 HD21 LEU 65 3HD2 LEU 65 -4.854 -2.384 4.171 1191 HD22 LEU 65 1HD2 LEU 65 -3.378 -2.961 3.390 1192 HD23 LEU 65 2HD2 LEU 65 -3.391 -1.403 4.224 1193 H LEU 66 H LEU 66 -6.490 -5.369 6.904 1194 HA LEU 66 HA LEU 66 -7.364 -3.182 8.394 1195 HB2 LEU 66 2HB LEU 66 -8.714 -5.866 7.872 1196 HB3 LEU 66 1HB LEU 66 -9.543 -4.483 8.571 1197 HG LEU 66 HG LEU 66 -8.339 -4.577 5.782 1198 HD11 LEU 66 1HD1 LEU 66 -10.329 -5.997 5.963 1199 HD12 LEU 66 2HD1 LEU 66 -10.648 -4.578 4.970 1200 HD13 LEU 66 3HD1 LEU 66 -11.254 -4.647 6.629 1201 HD21 LEU 66 3HD2 LEU 66 -9.454 -2.415 5.437 1202 HD22 LEU 66 1HD2 LEU 66 -8.238 -2.325 6.707 1203 HD23 LEU 66 2HD2 LEU 66 -9.951 -2.390 7.132 1204 H LYS 67 H LYS 67 -6.838 -6.541 9.377 1205 HA LYS 67 HA LYS 67 -7.845 -6.504 11.994 1206 HB2 LYS 67 2HB LYS 67 -5.721 -8.202 10.639 1207 HB3 LYS 67 1HB LYS 67 -6.247 -8.516 12.289 1208 HG2 LYS 67 2HG LYS 67 -8.403 -9.197 11.621 1209 HG3 LYS 67 1HG LYS 67 -8.275 -8.407 10.048 1210 HD2 LYS 67 2HD LYS 67 -8.138 -10.924 9.969 1211 HD3 LYS 67 1HD LYS 67 -6.776 -10.091 9.222 1212 HE2 LYS 67 2HE LYS 67 -6.038 -12.031 10.538 1213 HE3 LYS 67 1HE LYS 67 -5.397 -10.539 11.215 1214 HZ1 LYS 67 3HZ LYS 67 -7.113 -10.601 12.894 1215 HZ2 LYS 67 1HZ LYS 67 -6.237 -12.044 12.923 1216 HZ3 LYS 67 2HZ LYS 67 -7.777 -11.999 12.224 1217 H GLU 68 H GLU 68 -4.473 -6.284 10.917 1218 HA GLU 68 HA GLU 68 -3.392 -5.876 13.500 1219 HB2 GLU 68 2HB GLU 68 -2.224 -5.534 10.716 1220 HB3 GLU 68 1HB GLU 68 -1.272 -5.442 12.194 1221 HG2 GLU 68 2HG GLU 68 -2.858 -7.880 11.321 1222 HG3 GLU 68 1HG GLU 68 -1.138 -7.646 11.021 1223 H LEU 69 H LEU 69 -4.162 -3.609 10.824 1224 HA LEU 69 HA LEU 69 -3.163 -1.247 12.023 1225 HB2 LEU 69 2HB LEU 69 -5.458 -1.612 10.055 1226 HB3 LEU 69 1HB LEU 69 -4.875 -0.034 10.567 1227 HG LEU 69 HG LEU 69 -3.314 -2.104 8.979 1228 HD11 LEU 69 1HD1 LEU 69 -4.347 0.628 8.182 1229 HD12 LEU 69 2HD1 LEU 69 -4.989 -0.931 7.656 1230 HD13 LEU 69 3HD1 LEU 69 -3.364 -0.448 7.181 1231 HD21 LEU 69 3HD2 LEU 69 -1.518 -0.478 8.829 1232 HD22 LEU 69 1HD2 LEU 69 -1.801 -0.936 10.505 1233 HD23 LEU 69 2HD2 LEU 69 -2.381 0.623 9.907 1234 H GLY 70 H GLY 70 -6.331 -2.818 12.143 1235 HA2 GLY 70 2HA GLY 70 -7.740 -1.010 13.747 1236 HA3 GLY 70 1HA GLY 70 -8.054 -2.735 13.624 1237 H ASN 71 H ASN 71 -5.620 -3.698 14.600 1238 HA ASN 71 HA ASN 71 -5.926 -3.654 17.418 1239 HB2 ASN 71 2HB ASN 71 -3.529 -4.560 15.746 1240 HB3 ASN 71 1HB ASN 71 -3.666 -4.820 17.483 1241 HD21 ASN 71 1HD2 ASN 71 -3.448 -6.758 15.296 1242 HD22 ASN 71 2HD2 ASN 71 -4.832 -7.778 15.425 1243 H LYS 72 H LYS 72 -3.124 -2.499 15.568 1244 HA LYS 72 HA LYS 72 -1.790 -0.854 17.218 1245 HB2 LYS 72 2HB LYS 72 -2.328 -0.188 14.299 1246 HB3 LYS 72 1HB LYS 72 -1.024 0.501 15.273 1247 HG2 LYS 72 2HG LYS 72 -0.020 -1.695 15.559 1248 HG3 LYS 72 1HG LYS 72 -1.352 -2.447 14.675 1249 HD2 LYS 72 2HD LYS 72 -0.683 -0.981 12.682 1250 HD3 LYS 72 1HD LYS 72 0.775 -0.569 13.597 1251 HE2 LYS 72 2HE LYS 72 -0.080 -3.316 12.650 1252 HE3 LYS 72 1HE LYS 72 1.296 -2.369 12.087 1253 HZ1 LYS 72 3HZ LYS 72 2.208 -2.550 14.372 1254 HZ2 LYS 72 1HZ LYS 72 2.076 -4.032 13.575 1255 HZ3 LYS 72 2HZ LYS 72 0.953 -3.606 14.755 1256 H LEU 73 H LEU 73 -4.890 0.085 15.805 1257 HA LEU 73 HA LEU 73 -4.840 2.828 16.457 1258 HB2 LEU 73 2HB LEU 73 -7.164 0.921 16.058 1259 HB3 LEU 73 1HB LEU 73 -7.406 2.630 16.389 1260 HG LEU 73 HG LEU 73 -5.946 1.502 13.969 1261 HD11 LEU 73 1HD1 LEU 73 -8.666 2.825 14.138 1262 HD12 LEU 73 2HD1 LEU 73 -8.355 1.113 13.835 1263 HD13 LEU 73 3HD1 LEU 73 -7.843 2.320 12.657 1264 HD21 LEU 73 3HD2 LEU 73 -4.987 3.655 14.636 1265 HD22 LEU 73 1HD2 LEU 73 -6.592 4.390 14.663 1266 HD23 LEU 73 2HD2 LEU 73 -5.897 3.826 13.140 1267 H GLU 74 H GLU 74 -4.821 0.246 18.634 1268 HA GLU 74 HA GLU 74 -6.250 1.376 20.847 1269 HB2 GLU 74 2HB GLU 74 -5.050 -0.246 22.244 1270 HB3 GLU 74 1HB GLU 74 -5.590 -1.028 20.765 1271 HG2 GLU 74 2HG GLU 74 -3.269 -0.784 19.844 1272 HG3 GLU 74 1HG GLU 74 -2.756 -0.135 21.400 1273 H HIS 75 H HIS 75 -2.923 1.490 19.728 1274 HA HIS 75 HA HIS 75 -2.004 3.493 21.567 1275 HB2 HIS 75 2HB HIS 75 -0.469 1.869 20.444 1276 HB3 HIS 75 1HB HIS 75 -0.865 2.576 18.881 1277 HD1 HIS 75 HD1 HIS 75 0.880 3.426 22.122 1278 HD2 HIS 75 HD2 HIS 75 0.691 4.735 18.188 1279 HE1 HIS 75 HE1 HIS 75 2.698 5.130 21.891 1280 HE2 HIS 75 HE2 HIS 75 2.715 5.697 19.446 1281 H HIS 76 H HIS 76 -3.755 4.975 21.394 1282 HA HIS 76 HA HIS 76 -4.457 6.409 19.030 1283 HB2 HIS 76 2HB HIS 76 -4.903 6.953 21.987 1284 HB3 HIS 76 1HB HIS 76 -5.412 8.105 20.760 1285 HD1 HIS 76 HD1 HIS 76 -7.793 7.873 20.193 1286 HD2 HIS 76 HD2 HIS 76 -6.153 4.235 21.340 1287 HE1 HIS 76 HE1 HIS 76 -9.689 6.233 20.154 1288 HE2 HIS 76 HE2 HIS 76 -8.702 4.095 21.025 1289 H HIS 77 H HIS 77 -2.520 7.083 18.096 1290 HA HIS 77 HA HIS 77 -1.326 9.490 19.335 1291 HB2 HIS 77 2HB HIS 77 0.383 7.702 19.270 1292 HB3 HIS 77 1HB HIS 77 0.083 7.446 17.553 1293 HD1 HIS 77 HD1 HIS 77 1.563 8.743 16.007 1294 HD2 HIS 77 HD2 HIS 77 1.401 10.449 19.787 1295 HE1 HIS 77 HE1 HIS 77 3.163 10.679 15.944 1296 HE2 HIS 77 HE2 HIS 77 3.166 11.561 18.291 1297 H HIS 78 H HIS 78 -1.982 11.222 18.234 1298 HA HIS 78 HA HIS 78 -3.320 11.072 15.756 1299 HB2 HIS 78 2HB HIS 78 -3.527 13.467 15.832 1300 HB3 HIS 78 1HB HIS 78 -3.705 12.882 17.475 1301 HD1 HIS 78 HD1 HIS 78 -2.163 15.532 15.678 1302 HD2 HIS 78 HD2 HIS 78 -1.000 13.183 18.901 1303 HE1 HIS 78 HE1 HIS 78 -0.358 16.822 16.846 1304 HE2 HIS 78 HE2 HIS 78 0.170 15.467 18.891 1305 H HIS 79 H HIS 79 -2.506 10.859 13.848 1306 HA HIS 79 HA HIS 79 0.276 11.250 13.174 1307 HB2 HIS 79 2HB HIS 79 -2.131 10.652 11.377 1308 HB3 HIS 79 1HB HIS 79 -0.441 10.582 10.881 1309 HD1 HIS 79 HD1 HIS 79 0.824 8.462 11.372 1310 HD2 HIS 79 HD2 HIS 79 -2.890 8.566 13.215 1311 HE1 HIS 79 HE1 HIS 79 0.490 6.178 12.343 1312 HE2 HIS 79 HE2 HIS 79 -1.654 6.345 13.640 1313 H HIS 80 H HIS 80 0.995 12.838 11.610 1314 HA HIS 80 HA HIS 80 -0.260 15.425 12.131 1315 HB2 HIS 80 2HB HIS 80 2.438 14.743 10.871 1316 HB3 HIS 80 1HB HIS 80 1.888 16.361 11.307 1317 HD1 HIS 80 HD1 HIS 80 3.272 13.226 12.761 1318 HD2 HIS 80 HD2 HIS 80 1.871 16.892 14.113 1319 HE1 HIS 80 HE1 HIS 80 3.929 13.348 15.171 1320 HE2 HIS 80 HE2 HIS 80 3.308 15.677 15.874 Start of MODEL 2 1 H1 MET 1 1H MET 1 15.054 13.491 -8.347 2 H2 MET 1 2H MET 1 16.045 14.115 -7.131 3 H3 MET 1 3H MET 1 15.895 12.450 -7.319 4 HA MET 1 HA MET 1 16.958 12.547 -9.453 5 HB2 MET 1 2HB MET 1 17.213 15.516 -8.803 6 HB3 MET 1 1HB MET 1 18.058 14.720 -10.127 7 HG2 MET 1 2HG MET 1 16.130 15.895 -10.988 8 HG3 MET 1 1HG MET 1 15.870 14.160 -11.153 9 HE1 MET 1 3HE MET 1 15.453 16.448 -7.900 10 HE2 MET 1 1HE MET 1 13.730 16.806 -8.005 11 HE3 MET 1 2HE MET 1 14.838 17.438 -9.224 12 H ALA 2 H ALA 2 18.094 11.133 -8.016 13 HA ALA 2 HA ALA 2 20.703 12.143 -7.136 14 HB1 ALA 2 3HB ALA 2 20.520 11.120 -4.880 15 HB2 ALA 2 1HB ALA 2 18.830 10.708 -5.196 16 HB3 ALA 2 2HB ALA 2 19.325 12.398 -5.099 17 H ASP 3 H ASP 3 22.305 10.542 -7.230 18 HA ASP 3 HA ASP 3 22.044 8.521 -9.124 19 HB2 ASP 3 2HB ASP 3 24.210 9.512 -8.603 20 HB3 ASP 3 1HB ASP 3 24.138 8.930 -6.942 21 H LYS 4 H LYS 4 22.864 7.826 -5.728 22 HA LYS 4 HA LYS 4 21.005 5.517 -5.723 23 HB2 LYS 4 2HB LYS 4 23.429 4.934 -5.721 24 HB3 LYS 4 1HB LYS 4 23.655 5.876 -4.254 25 HG2 LYS 4 2HG LYS 4 22.160 4.319 -3.034 26 HG3 LYS 4 1HG LYS 4 21.937 3.377 -4.507 27 HD2 LYS 4 2HD LYS 4 24.595 3.792 -3.073 28 HD3 LYS 4 1HD LYS 4 23.594 2.348 -2.954 29 HE2 LYS 4 2HE LYS 4 25.312 1.802 -4.500 30 HE3 LYS 4 1HE LYS 4 23.887 2.099 -5.490 31 HZ1 LYS 4 3HZ LYS 4 24.753 4.255 -6.076 32 HZ2 LYS 4 1HZ LYS 4 25.936 3.091 -6.380 33 HZ3 LYS 4 2HZ LYS 4 26.056 4.080 -5.017 34 H LEU 5 H LEU 5 19.521 5.490 -4.142 35 HA LEU 5 HA LEU 5 19.390 7.663 -2.197 36 HB2 LEU 5 2HB LEU 5 17.422 5.372 -2.599 37 HB3 LEU 5 1HB LEU 5 17.165 6.822 -1.633 38 HG LEU 5 HG LEU 5 17.352 6.673 -4.667 39 HD11 LEU 5 1HD1 LEU 5 15.005 7.390 -4.617 40 HD12 LEU 5 2HD1 LEU 5 15.015 7.354 -2.854 41 HD13 LEU 5 3HD1 LEU 5 15.227 5.859 -3.771 42 HD21 LEU 5 3HD2 LEU 5 16.971 9.153 -2.949 43 HD22 LEU 5 1HD2 LEU 5 16.903 9.085 -4.710 44 HD23 LEU 5 2HD2 LEU 5 18.419 8.754 -3.877 45 H LYS 6 H LYS 6 18.807 7.089 0.025 46 HA LYS 6 HA LYS 6 20.108 4.636 1.052 47 HB2 LYS 6 2HB LYS 6 19.733 7.325 2.467 48 HB3 LYS 6 1HB LYS 6 20.517 5.906 3.150 49 HG2 LYS 6 2HG LYS 6 21.524 7.479 0.759 50 HG3 LYS 6 1HG LYS 6 22.131 7.640 2.404 51 HD2 LYS 6 2HD LYS 6 22.269 5.095 0.735 52 HD3 LYS 6 1HD LYS 6 23.596 6.236 0.954 53 HE2 LYS 6 2HE LYS 6 23.568 5.786 3.396 54 HE3 LYS 6 1HE LYS 6 22.265 4.621 3.157 55 HZ1 LYS 6 3HZ LYS 6 23.742 3.302 1.785 56 HZ2 LYS 6 1HZ LYS 6 24.417 3.540 3.319 57 HZ3 LYS 6 2HZ LYS 6 24.991 4.419 1.994 58 H PHE 7 H PHE 7 18.786 3.357 2.322 59 HA PHE 7 HA PHE 7 16.256 4.423 3.351 60 HB2 PHE 7 2HB PHE 7 15.010 2.417 2.571 61 HB3 PHE 7 1HB PHE 7 15.613 3.355 1.220 62 HD1 PHE 7 HD1 PHE 7 17.673 2.499 -0.058 63 HD2 PHE 7 HD2 PHE 7 15.584 0.078 2.792 64 HE1 PHE 7 HE1 PHE 7 18.688 0.470 -1.022 65 HE2 PHE 7 HE2 PHE 7 16.608 -1.938 1.818 66 HZ PHE 7 HZ PHE 7 18.157 -1.744 -0.086 67 H GLU 8 H GLU 8 15.706 3.494 5.324 68 HA GLU 8 HA GLU 8 17.120 1.076 6.210 69 HB2 GLU 8 2HB GLU 8 18.467 2.980 7.057 70 HB3 GLU 8 1HB GLU 8 17.036 3.695 7.791 71 HG2 GLU 8 2HG GLU 8 16.845 1.806 9.340 72 HG3 GLU 8 1HG GLU 8 18.211 1.000 8.567 73 H ILE 9 H ILE 9 15.763 -0.232 7.270 74 HA ILE 9 HA ILE 9 12.952 0.485 7.508 75 HB ILE 9 HB ILE 9 14.369 -2.141 8.208 76 HG12 ILE 9 2HG1 ILE 9 12.719 -1.371 5.750 77 HG13 ILE 9 1HG1 ILE 9 14.461 -1.619 5.774 78 HG21 ILE 9 1HG2 ILE 9 11.378 -1.571 8.000 79 HG22 ILE 9 2HG2 ILE 9 12.261 -1.864 9.499 80 HG23 ILE 9 3HG2 ILE 9 12.105 -3.150 8.302 81 HD11 ILE 9 3HD1 ILE 9 13.341 -3.513 4.797 82 HD12 ILE 9 1HD1 ILE 9 12.352 -3.728 6.241 83 HD13 ILE 9 2HD1 ILE 9 14.096 -3.991 6.316 84 H ILE 10 H ILE 10 12.411 1.630 9.168 85 HA ILE 10 HA ILE 10 13.970 1.908 11.587 86 HB ILE 10 HB ILE 10 11.196 3.054 10.956 87 HG12 ILE 10 2HG1 ILE 10 12.822 3.804 9.252 88 HG13 ILE 10 1HG1 ILE 10 12.383 5.149 10.297 89 HG21 ILE 10 1HG2 ILE 10 13.245 3.921 13.043 90 HG22 ILE 10 2HG2 ILE 10 11.718 3.097 13.366 91 HG23 ILE 10 3HG2 ILE 10 11.713 4.731 12.705 92 HD11 ILE 10 3HD1 ILE 10 14.742 5.200 9.806 93 HD12 ILE 10 1HD1 ILE 10 14.950 3.557 10.408 94 HD13 ILE 10 2HD1 ILE 10 14.516 4.860 11.518 95 H GLU 11 H GLU 11 10.930 0.416 10.529 96 HA GLU 11 HA GLU 11 10.927 -1.451 12.715 97 HB2 GLU 11 2HB GLU 11 9.930 0.570 13.830 98 HB3 GLU 11 1HB GLU 11 8.632 0.579 12.641 99 HG2 GLU 11 2HG GLU 11 7.827 -1.587 13.444 100 HG3 GLU 11 1HG GLU 11 9.188 -1.720 14.556 101 H GLU 12 H GLU 12 9.509 -3.149 12.360 102 HA GLU 12 HA GLU 12 8.145 -3.330 9.733 103 HB2 GLU 12 2HB GLU 12 8.811 -5.514 11.773 104 HB3 GLU 12 1HB GLU 12 8.065 -5.775 10.198 105 HG2 GLU 12 2HG GLU 12 10.100 -5.028 9.061 106 HG3 GLU 12 1HG GLU 12 10.848 -4.636 10.609 107 H LEU 13 H LEU 13 5.894 -3.401 9.690 108 HA LEU 13 HA LEU 13 4.569 -2.955 12.321 109 HB2 LEU 13 2HB LEU 13 3.503 -2.284 9.556 110 HB3 LEU 13 1HB LEU 13 2.793 -1.816 11.096 111 HG LEU 13 HG LEU 13 5.476 -0.838 10.037 112 HD11 LEU 13 1HD1 LEU 13 3.628 0.034 8.733 113 HD12 LEU 13 2HD1 LEU 13 4.349 1.308 9.707 114 HD13 LEU 13 3HD1 LEU 13 2.812 0.589 10.196 115 HD21 LEU 13 3HD2 LEU 13 5.442 0.766 11.906 116 HD22 LEU 13 1HD2 LEU 13 5.474 -0.898 12.489 117 HD23 LEU 13 2HD2 LEU 13 3.970 0.024 12.534 118 H ILE 14 H ILE 14 3.804 -4.454 9.167 119 HA ILE 14 HA ILE 14 2.353 -6.672 10.473 120 HB ILE 14 HB ILE 14 1.040 -5.033 8.228 121 HG12 ILE 14 2HG1 ILE 14 0.234 -4.928 11.174 122 HG13 ILE 14 1HG1 ILE 14 1.140 -3.662 10.357 123 HG21 ILE 14 1HG2 ILE 14 -0.985 -6.346 8.779 124 HG22 ILE 14 2HG2 ILE 14 -0.099 -7.203 10.039 125 HG23 ILE 14 3HG2 ILE 14 0.358 -7.409 8.345 126 HD11 ILE 14 3HD1 ILE 14 -1.192 -3.085 10.557 127 HD12 ILE 14 1HD1 ILE 14 -1.665 -4.543 9.682 128 HD13 ILE 14 2HD1 ILE 14 -0.749 -3.273 8.862 129 H VAL 15 H VAL 15 3.035 -8.530 9.420 130 HA VAL 15 HA VAL 15 4.010 -8.409 6.654 131 HB VAL 15 HB VAL 15 3.774 -10.817 8.527 132 HG11 VAL 15 1HG1 VAL 15 3.735 -11.512 6.154 133 HG12 VAL 15 2HG1 VAL 15 5.245 -11.998 6.922 134 HG13 VAL 15 3HG1 VAL 15 5.217 -10.599 5.847 135 HG21 VAL 15 3HG2 VAL 15 5.379 -9.160 9.383 136 HG22 VAL 15 1HG2 VAL 15 6.213 -9.130 7.824 137 HG23 VAL 15 2HG2 VAL 15 6.231 -10.596 8.810 138 H LEU 16 H LEU 16 2.619 -8.567 5.042 139 HA LEU 16 HA LEU 16 -0.196 -9.225 5.548 140 HB2 LEU 16 2HB LEU 16 1.124 -8.035 3.068 141 HB3 LEU 16 1HB LEU 16 -0.603 -8.175 3.347 142 HG LEU 16 HG LEU 16 1.310 -6.397 4.906 143 HD11 LEU 16 1HD1 LEU 16 0.837 -5.510 2.671 144 HD12 LEU 16 2HD1 LEU 16 0.079 -4.517 3.912 145 HD13 LEU 16 3HD1 LEU 16 -0.901 -5.638 2.963 146 HD21 LEU 16 3HD2 LEU 16 -1.682 -6.751 5.246 147 HD22 LEU 16 1HD2 LEU 16 -0.677 -5.553 6.069 148 HD23 LEU 16 2HD2 LEU 16 -0.427 -7.266 6.379 149 H SER 17 H SER 17 2.612 -10.501 3.939 150 HA SER 17 HA SER 17 1.506 -13.046 3.374 151 HB2 SER 17 2HB SER 17 0.384 -11.813 1.512 152 HB3 SER 17 1HB SER 17 1.946 -11.257 0.924 153 HG SER 17 HG SER 17 0.705 -13.711 0.664 154 H GLU 18 H GLU 18 3.094 -14.458 2.393 155 HA GLU 18 HA GLU 18 5.888 -13.483 2.185 156 HB2 GLU 18 2HB GLU 18 5.665 -14.450 4.456 157 HB3 GLU 18 1HB GLU 18 4.985 -15.934 3.789 158 HG2 GLU 18 2HG GLU 18 7.152 -16.338 2.585 159 HG3 GLU 18 1HG GLU 18 7.807 -14.897 3.358 160 H ASN 19 H ASN 19 7.095 -14.531 0.588 161 HA ASN 19 HA ASN 19 5.433 -16.058 -1.368 162 HB2 ASN 19 2HB ASN 19 6.887 -13.994 -1.958 163 HB3 ASN 19 1HB ASN 19 8.289 -15.034 -1.778 164 HD21 ASN 19 1HD2 ASN 19 7.237 -13.532 -4.082 165 HD22 ASN 19 2HD2 ASN 19 7.087 -14.687 -5.358 166 H ALA 20 H ALA 20 6.361 -18.010 -2.437 167 HA ALA 20 HA ALA 20 7.583 -19.939 -0.748 168 HB1 ALA 20 3HB ALA 20 6.139 -20.532 -2.656 169 HB2 ALA 20 1HB ALA 20 7.709 -21.329 -2.788 170 HB3 ALA 20 2HB ALA 20 7.348 -19.910 -3.777 171 H LYS 21 H LYS 21 8.865 -17.640 -3.090 172 HA LYS 21 HA LYS 21 11.647 -18.389 -2.780 173 HB2 LYS 21 2HB LYS 21 10.405 -15.780 -3.768 174 HB3 LYS 21 1HB LYS 21 12.104 -16.214 -3.918 175 HG2 LYS 21 2HG LYS 21 9.794 -17.675 -5.230 176 HG3 LYS 21 1HG LYS 21 10.898 -16.551 -6.027 177 HD2 LYS 21 2HD LYS 21 12.795 -18.070 -5.566 178 HD3 LYS 21 1HD LYS 21 11.710 -19.195 -4.745 179 HE2 LYS 21 2HE LYS 21 11.565 -18.425 -7.681 180 HE3 LYS 21 1HE LYS 21 12.236 -19.925 -7.042 181 HZ1 LYS 21 3HZ LYS 21 9.417 -19.034 -6.849 182 HZ2 LYS 21 1HZ LYS 21 10.031 -20.432 -6.133 183 HZ3 LYS 21 2HZ LYS 21 10.013 -20.283 -7.814 184 H GLY 22 H GLY 22 9.419 -16.741 -0.846 185 HA2 GLY 22 2HA GLY 22 9.933 -16.450 1.487 186 HA3 GLY 22 1HA GLY 22 11.478 -15.739 1.035 187 H TRP 23 H TRP 23 10.178 -14.295 -1.233 188 HA TRP 23 HA TRP 23 10.314 -11.783 -0.234 189 HB2 TRP 23 2HB TRP 23 8.792 -12.788 -2.658 190 HB3 TRP 23 1HB TRP 23 8.880 -11.074 -2.277 191 HD1 TRP 23 HD1 TRP 23 11.509 -13.944 -2.726 192 HE1 TRP 23 HE1 TRP 23 13.461 -12.981 -4.091 193 HE3 TRP 23 HE3 TRP 23 9.839 -9.123 -3.266 194 HZ2 TRP 23 HZ2 TRP 23 14.195 -10.517 -5.255 195 HZ3 TRP 23 HZ3 TRP 23 11.221 -7.525 -4.540 196 HH2 TRP 23 HH2 TRP 23 13.363 -8.216 -5.511 197 H ARG 24 H ARG 24 9.194 -10.755 1.327 198 HA ARG 24 HA ARG 24 6.521 -11.704 2.049 199 HB2 ARG 24 2HB ARG 24 8.582 -10.058 3.567 200 HB3 ARG 24 1HB ARG 24 6.978 -10.448 4.188 201 HG2 ARG 24 2HG ARG 24 7.538 -12.856 4.095 202 HG3 ARG 24 1HG ARG 24 9.159 -12.453 3.516 203 HD2 ARG 24 2HD ARG 24 9.682 -11.318 5.587 204 HD3 ARG 24 1HD ARG 24 8.012 -11.471 6.150 205 HE ARG 24 HE ARG 24 9.257 -14.006 5.596 206 HH11 ARG 24 1HH1 ARG 24 8.882 -11.511 8.052 207 HH12 ARG 24 2HH1 ARG 24 9.219 -12.594 9.367 208 HH21 ARG 24 1HH2 ARG 24 9.661 -15.417 7.317 209 HH22 ARG 24 2HH2 ARG 24 9.662 -14.812 8.949 210 H LYS 25 H LYS 25 4.883 -10.528 1.271 211 HA LYS 25 HA LYS 25 5.161 -7.720 0.562 212 HB2 LYS 25 2HB LYS 25 3.679 -9.262 -0.733 213 HB3 LYS 25 1HB LYS 25 2.667 -9.485 0.694 214 HG2 LYS 25 2HG LYS 25 2.097 -7.071 0.663 215 HG3 LYS 25 1HG LYS 25 3.117 -6.847 -0.762 216 HD2 LYS 25 2HD LYS 25 0.624 -8.573 -0.595 217 HD3 LYS 25 1HD LYS 25 0.746 -7.006 -1.392 218 HE2 LYS 25 2HE LYS 25 2.299 -7.937 -3.041 219 HE3 LYS 25 1HE LYS 25 2.287 -9.496 -2.209 220 HZ1 LYS 25 3HZ LYS 25 -0.056 -9.712 -2.704 221 HZ2 LYS 25 1HZ LYS 25 0.824 -9.481 -4.127 222 HZ3 LYS 25 2HZ LYS 25 -0.066 -8.204 -3.468 223 H GLU 26 H GLU 26 5.354 -6.385 2.253 224 HA GLU 26 HA GLU 26 3.566 -6.679 4.592 225 HB2 GLU 26 2HB GLU 26 5.498 -6.371 6.112 226 HB3 GLU 26 1HB GLU 26 5.672 -7.820 5.131 227 HG2 GLU 26 2HG GLU 26 7.222 -6.549 3.616 228 HG3 GLU 26 1HG GLU 26 7.116 -5.183 4.723 229 H LEU 27 H LEU 27 3.557 -4.896 5.966 230 HA LEU 27 HA LEU 27 4.055 -2.242 4.795 231 HB2 LEU 27 2HB LEU 27 1.689 -2.745 5.360 232 HB3 LEU 27 1HB LEU 27 2.160 -3.176 6.996 233 HG LEU 27 HG LEU 27 2.940 -0.756 7.294 234 HD11 LEU 27 1HD1 LEU 27 3.141 -0.070 4.962 235 HD12 LEU 27 2HD1 LEU 27 2.002 0.974 5.809 236 HD13 LEU 27 3HD1 LEU 27 1.406 -0.280 4.720 237 HD21 LEU 27 3HD2 LEU 27 0.713 0.061 7.816 238 HD22 LEU 27 1HD2 LEU 27 0.858 -1.637 8.261 239 HD23 LEU 27 2HD2 LEU 27 -0.016 -1.178 6.797 240 H ASN 28 H ASN 28 5.767 -1.273 5.651 241 HA ASN 28 HA ASN 28 6.571 -1.627 8.468 242 HB2 ASN 28 2HB ASN 28 8.902 -1.986 7.875 243 HB3 ASN 28 1HB ASN 28 7.942 -3.186 7.031 244 HD21 ASN 28 1HD2 ASN 28 7.139 -1.273 4.844 245 HD22 ASN 28 2HD2 ASN 28 8.559 -1.040 3.899 246 H ARG 29 H ARG 29 8.083 0.136 9.167 247 HA ARG 29 HA ARG 29 7.584 2.675 7.766 248 HB2 ARG 29 2HB ARG 29 8.350 2.076 10.657 249 HB3 ARG 29 1HB ARG 29 8.532 3.686 9.959 250 HG2 ARG 29 2HG ARG 29 6.099 3.697 9.424 251 HG3 ARG 29 1HG ARG 29 5.942 2.140 10.243 252 HD2 ARG 29 2HD ARG 29 5.255 4.040 11.677 253 HD3 ARG 29 1HD ARG 29 6.613 3.145 12.360 254 HE ARG 29 HE ARG 29 8.074 4.961 11.532 255 HH11 ARG 29 1HH1 ARG 29 4.678 5.716 12.058 256 HH12 ARG 29 2HH1 ARG 29 4.968 7.413 12.263 257 HH21 ARG 29 1HH2 ARG 29 8.425 7.197 11.791 258 HH22 ARG 29 2HH2 ARG 29 7.086 8.251 12.113 259 H VAL 30 H VAL 30 9.162 3.503 6.654 260 HA VAL 30 HA VAL 30 11.985 2.663 7.036 261 HB VAL 30 HB VAL 30 10.599 3.315 4.371 262 HG11 VAL 30 1HG1 VAL 30 13.431 2.301 4.851 263 HG12 VAL 30 2HG1 VAL 30 12.989 3.929 4.332 264 HG13 VAL 30 3HG1 VAL 30 12.678 2.554 3.272 265 HG21 VAL 30 3HG2 VAL 30 11.485 0.598 5.413 266 HG22 VAL 30 1HG2 VAL 30 10.854 0.919 3.795 267 HG23 VAL 30 2HG2 VAL 30 9.819 1.140 5.207 268 H SER 31 H SER 31 13.530 4.319 6.639 269 HA SER 31 HA SER 31 12.545 7.095 6.308 270 HB2 SER 31 2HB SER 31 13.547 6.854 8.536 271 HB3 SER 31 1HB SER 31 15.000 6.129 7.841 272 HG SER 31 HG SER 31 14.092 8.784 7.753 273 H TRP 32 H TRP 32 13.367 8.139 4.603 274 HA TRP 32 HA TRP 32 15.338 6.765 2.860 275 HB2 TRP 32 2HB TRP 32 13.156 8.788 2.156 276 HB3 TRP 32 1HB TRP 32 14.299 8.100 1.008 277 HD1 TRP 32 HD1 TRP 32 11.044 7.262 2.854 278 HE1 TRP 32 HE1 TRP 32 10.068 5.093 1.851 279 HE3 TRP 32 HE3 TRP 32 15.027 5.805 -0.035 280 HZ2 TRP 32 HZ2 TRP 32 10.887 3.020 0.145 281 HZ3 TRP 32 HZ3 TRP 32 14.843 3.714 -1.325 282 HH2 TRP 32 HH2 TRP 32 12.813 2.348 -1.237 283 H ASN 33 H ASN 33 17.266 7.651 2.864 284 HA ASN 33 HA ASN 33 19.044 9.075 2.927 285 HB2 ASN 33 2HB ASN 33 16.925 10.976 1.828 286 HB3 ASN 33 1HB ASN 33 18.637 11.385 1.888 287 HD21 ASN 33 1HD2 ASN 33 16.620 10.851 -0.347 288 HD22 ASN 33 2HD2 ASN 33 17.474 9.781 -1.396 289 H ASP 34 H ASP 34 17.712 8.715 5.376 290 HA ASP 34 HA ASP 34 17.525 9.416 7.507 291 HB2 ASP 34 2HB ASP 34 19.598 11.476 6.639 292 HB3 ASP 34 1HB ASP 34 19.151 11.167 8.314 293 H ALA 35 H ALA 35 15.637 10.547 5.581 294 HA ALA 35 HA ALA 35 14.983 13.220 6.630 295 HB1 ALA 35 3HB ALA 35 14.734 12.826 4.194 296 HB2 ALA 35 1HB ALA 35 13.174 13.202 4.931 297 HB3 ALA 35 2HB ALA 35 13.576 11.535 4.504 298 H GLU 36 H GLU 36 12.372 13.303 6.865 299 HA GLU 36 HA GLU 36 11.576 12.148 9.233 300 HB2 GLU 36 2HB GLU 36 9.211 12.665 8.570 301 HB3 GLU 36 1HB GLU 36 10.333 14.003 8.362 302 HG2 GLU 36 2HG GLU 36 10.395 13.688 5.965 303 HG3 GLU 36 1HG GLU 36 9.457 12.196 6.093 304 HA PRO 37 HA PRO 37 10.942 7.792 8.022 305 HB2 PRO 37 2HB PRO 37 9.892 7.428 10.792 306 HB3 PRO 37 1HB PRO 37 11.309 6.681 10.025 307 HG2 PRO 37 2HG PRO 37 11.577 8.534 11.952 308 HG3 PRO 37 1HG PRO 37 12.725 8.420 10.597 309 HD2 PRO 37 2HD PRO 37 10.428 10.350 10.957 310 HD3 PRO 37 1HD PRO 37 12.092 10.661 10.401 311 H LYS 38 H LYS 38 9.159 6.766 7.215 312 HA LYS 38 HA LYS 38 6.475 7.509 8.019 313 HB2 LYS 38 2HB LYS 38 5.879 8.064 5.598 314 HB3 LYS 38 1HB LYS 38 6.841 9.269 6.446 315 HG2 LYS 38 2HG LYS 38 8.872 8.446 5.264 316 HG3 LYS 38 1HG LYS 38 7.868 7.270 4.404 317 HD2 LYS 38 2HD LYS 38 8.261 9.253 2.991 318 HD3 LYS 38 1HD LYS 38 6.550 9.119 3.404 319 HE2 LYS 38 2HE LYS 38 6.928 10.794 5.245 320 HE3 LYS 38 1HE LYS 38 8.580 10.999 4.665 321 HZ1 LYS 38 3HZ LYS 38 7.222 12.717 3.785 322 HZ2 LYS 38 1HZ LYS 38 6.089 11.612 3.182 323 HZ3 LYS 38 2HZ LYS 38 7.638 11.690 2.515 324 H TYR 39 H TYR 39 4.936 6.331 6.399 325 HA TYR 39 HA TYR 39 5.533 3.543 6.852 326 HB2 TYR 39 2HB TYR 39 3.026 4.922 5.784 327 HB3 TYR 39 1HB TYR 39 3.138 3.225 6.263 328 HD1 TYR 39 HD1 TYR 39 3.087 6.716 7.525 329 HD2 TYR 39 HD2 TYR 39 3.253 2.602 8.621 330 HE1 TYR 39 HE1 TYR 39 2.660 7.319 9.851 331 HE2 TYR 39 HE2 TYR 39 2.814 3.205 10.957 332 HH TYR 39 HH TYR 39 1.685 6.164 11.910 333 H ASP 40 H ASP 40 5.795 2.071 5.358 334 HA ASP 40 HA ASP 40 5.590 2.667 2.471 335 HB2 ASP 40 2HB ASP 40 7.974 2.929 3.217 336 HB3 ASP 40 1HB ASP 40 7.963 1.272 3.815 337 H ILE 41 H ILE 41 4.933 0.961 1.234 338 HA ILE 41 HA ILE 41 4.412 -1.634 2.539 339 HB ILE 41 HB ILE 41 2.272 -0.507 2.680 340 HG12 ILE 41 2HG1 ILE 41 2.165 -2.512 0.385 341 HG13 ILE 41 1HG1 ILE 41 2.279 -2.942 2.088 342 HG21 ILE 41 1HG2 ILE 41 2.546 1.222 0.971 343 HG22 ILE 41 2HG2 ILE 41 1.020 0.360 0.751 344 HG23 ILE 41 3HG2 ILE 41 2.395 0.007 -0.299 345 HD11 ILE 41 3HD1 ILE 41 0.089 -1.872 2.472 346 HD12 ILE 41 1HD1 ILE 41 0.023 -3.199 1.311 347 HD13 ILE 41 2HD1 ILE 41 -0.021 -1.532 0.742 348 H ARG 42 H ARG 42 5.407 -3.073 1.466 349 HA ARG 42 HA ARG 42 5.936 -3.042 -1.404 350 HB2 ARG 42 2HB ARG 42 7.600 -1.427 -0.506 351 HB3 ARG 42 1HB ARG 42 8.088 -2.576 0.726 352 HG2 ARG 42 2HG ARG 42 9.824 -2.571 -0.874 353 HG3 ARG 42 1HG ARG 42 8.938 -4.067 -1.149 354 HD2 ARG 42 2HD ARG 42 8.574 -1.537 -2.783 355 HD3 ARG 42 1HD ARG 42 9.643 -2.856 -3.240 356 HE ARG 42 HE ARG 42 6.722 -2.814 -3.344 357 HH11 ARG 42 1HH1 ARG 42 9.611 -4.786 -3.824 358 HH12 ARG 42 2HH1 ARG 42 8.770 -5.970 -4.770 359 HH21 ARG 42 1HH2 ARG 42 5.671 -4.393 -4.545 360 HH22 ARG 42 2HH2 ARG 42 6.553 -5.750 -5.176 361 H THR 43 H THR 43 7.037 -5.047 -2.026 362 HA THR 43 HA THR 43 6.879 -7.256 -0.124 363 HB THR 43 HB THR 43 7.264 -7.348 -3.169 364 HG1 THR 43 HG1 THR 43 4.955 -7.173 -1.592 365 HG21 THR 43 3HG2 THR 43 6.560 -9.704 -2.933 366 HG22 THR 43 1HG2 THR 43 6.439 -9.500 -1.183 367 HG23 THR 43 2HG2 THR 43 8.011 -9.387 -1.980 368 H TRP 44 H TRP 44 8.813 -7.812 0.731 369 HA TRP 44 HA TRP 44 11.339 -6.745 -0.423 370 HB2 TRP 44 2HB TRP 44 10.552 -7.302 2.480 371 HB3 TRP 44 1HB TRP 44 12.189 -6.913 1.974 372 HD1 TRP 44 HD1 TRP 44 8.858 -5.264 2.810 373 HE1 TRP 44 HE1 TRP 44 9.202 -2.710 2.862 374 HE3 TRP 44 HE3 TRP 44 13.539 -5.007 0.742 375 HZ2 TRP 44 HZ2 TRP 44 11.155 -0.837 2.105 376 HZ3 TRP 44 HZ3 TRP 44 14.576 -2.793 0.444 377 HH2 TRP 44 HH2 TRP 44 13.408 -0.747 1.111 378 H SER 45 H SER 45 13.202 -8.138 -0.187 379 HA SER 45 HA SER 45 12.793 -10.988 -0.269 380 HB2 SER 45 2HB SER 45 15.296 -11.123 0.073 381 HB3 SER 45 1HB SER 45 14.815 -10.063 -1.241 382 HG SER 45 HG SER 45 16.463 -9.216 0.176 383 HA PRO 46 HA PRO 46 12.855 -12.159 4.217 384 HB2 PRO 46 2HB PRO 46 14.964 -14.055 4.184 385 HB3 PRO 46 1HB PRO 46 13.256 -14.411 3.874 386 HG2 PRO 46 2HG PRO 46 15.459 -13.928 1.898 387 HG3 PRO 46 1HG PRO 46 14.137 -15.119 1.847 388 HD2 PRO 46 2HD PRO 46 14.001 -12.910 0.354 389 HD3 PRO 46 1HD PRO 46 12.543 -13.520 1.177 390 H ASP 47 H ASP 47 15.781 -11.385 2.451 391 HA ASP 47 HA ASP 47 17.385 -10.608 4.728 392 HB2 ASP 47 2HB ASP 47 17.882 -10.051 1.759 393 HB3 ASP 47 1HB ASP 47 19.069 -9.964 3.058 394 H HIS 48 H HIS 48 14.921 -9.080 2.850 395 HA HIS 48 HA HIS 48 13.936 -7.082 2.951 396 HB2 HIS 48 2HB HIS 48 15.537 -6.971 5.507 397 HB3 HIS 48 1HB HIS 48 14.628 -5.552 4.998 398 HD1 HIS 48 HD1 HIS 48 14.241 -8.705 6.775 399 HD2 HIS 48 HD2 HIS 48 11.779 -6.098 4.697 400 HE1 HIS 48 HE1 HIS 48 11.914 -9.220 7.530 401 HE2 HIS 48 HE2 HIS 48 10.470 -7.513 6.410 402 H GLU 49 H GLU 49 16.440 -7.382 1.433 403 HA GLU 49 HA GLU 49 17.241 -4.529 1.210 404 HB2 GLU 49 2HB GLU 49 19.393 -5.227 0.321 405 HB3 GLU 49 1HB GLU 49 19.130 -6.002 1.880 406 HG2 GLU 49 2HG GLU 49 18.740 -8.132 0.888 407 HG3 GLU 49 1HG GLU 49 18.530 -7.440 -0.721 408 H LYS 50 H LYS 50 15.558 -7.026 -0.334 409 HA LYS 50 HA LYS 50 16.073 -5.966 -3.057 410 HB2 LYS 50 2HB LYS 50 14.839 -8.621 -2.224 411 HB3 LYS 50 1HB LYS 50 15.020 -8.081 -3.876 412 HG2 LYS 50 2HG LYS 50 17.472 -8.370 -2.153 413 HG3 LYS 50 1HG LYS 50 16.707 -9.807 -2.822 414 HD2 LYS 50 2HD LYS 50 18.418 -9.228 -4.360 415 HD3 LYS 50 1HD LYS 50 16.921 -8.707 -5.118 416 HE2 LYS 50 2HE LYS 50 17.369 -6.392 -4.495 417 HE3 LYS 50 1HE LYS 50 18.817 -6.876 -3.608 418 HZ1 LYS 50 3HZ LYS 50 18.438 -7.301 -6.516 419 HZ2 LYS 50 1HZ LYS 50 19.851 -7.540 -5.625 420 HZ3 LYS 50 2HZ LYS 50 19.249 -5.977 -5.853 421 H MET 51 H MET 51 14.515 -4.870 -3.978 422 HA MET 51 HA MET 51 11.748 -4.865 -3.008 423 HB2 MET 51 2HB MET 51 11.743 -2.397 -2.810 424 HB3 MET 51 1HB MET 51 12.889 -3.114 -1.688 425 HG2 MET 51 2HG MET 51 14.748 -2.497 -3.200 426 HG3 MET 51 1HG MET 51 13.588 -1.767 -4.314 427 HE1 MET 51 3HE MET 51 16.131 -0.197 -3.161 428 HE2 MET 51 1HE MET 51 15.415 1.361 -2.745 429 HE3 MET 51 2HE MET 51 14.963 0.557 -4.248 430 H GLY 52 H GLY 52 10.444 -3.361 -4.418 431 HA2 GLY 52 2HA GLY 52 11.270 -2.901 -7.154 432 HA3 GLY 52 1HA GLY 52 10.091 -4.200 -6.940 433 H LYS 53 H LYS 53 8.144 -3.346 -7.576 434 HA LYS 53 HA LYS 53 7.532 -0.543 -7.209 435 HB2 LYS 53 2HB LYS 53 5.874 -2.795 -8.403 436 HB3 LYS 53 1HB LYS 53 5.394 -1.104 -8.390 437 HG2 LYS 53 2HG LYS 53 7.796 -2.273 -9.822 438 HG3 LYS 53 1HG LYS 53 6.305 -1.690 -10.566 439 HD2 LYS 53 2HD LYS 53 6.799 0.609 -9.818 440 HD3 LYS 53 1HD LYS 53 8.261 0.048 -8.999 441 HE2 LYS 53 2HE LYS 53 7.737 0.018 -11.989 442 HE3 LYS 53 1HE LYS 53 8.846 1.080 -11.125 443 HZ1 LYS 53 3HZ LYS 53 9.088 -1.868 -11.328 444 HZ2 LYS 53 1HZ LYS 53 10.156 -0.848 -10.515 445 HZ3 LYS 53 2HZ LYS 53 9.999 -0.742 -12.190 446 H GLY 54 H GLY 54 7.127 0.040 -5.198 447 HA2 GLY 54 2HA GLY 54 4.696 -0.984 -3.847 448 HA3 GLY 54 1HA GLY 54 6.179 -0.716 -2.919 449 H ILE 55 H ILE 55 4.561 0.906 -1.792 450 HA ILE 55 HA ILE 55 5.007 3.530 -3.030 451 HB ILE 55 HB ILE 55 2.800 2.944 -3.894 452 HG12 ILE 55 2HG1 ILE 55 2.519 4.995 -1.646 453 HG13 ILE 55 1HG1 ILE 55 3.130 5.325 -3.262 454 HG21 ILE 55 1HG2 ILE 55 0.860 2.430 -2.474 455 HG22 ILE 55 2HG2 ILE 55 1.883 2.502 -1.039 456 HG23 ILE 55 3HG2 ILE 55 2.150 1.243 -2.244 457 HD11 ILE 55 3HD1 ILE 55 0.321 4.476 -2.563 458 HD12 ILE 55 1HD1 ILE 55 0.927 4.778 -4.195 459 HD13 ILE 55 2HD1 ILE 55 0.855 6.091 -3.022 460 H THR 56 H THR 56 5.108 5.173 -1.610 461 HA THR 56 HA THR 56 5.346 4.493 1.262 462 HB THR 56 HB THR 56 6.631 6.955 0.022 463 HG1 THR 56 HG1 THR 56 7.580 4.258 -0.055 464 HG21 THR 56 3HG2 THR 56 7.449 5.153 2.323 465 HG22 THR 56 1HG2 THR 56 6.663 6.731 2.479 466 HG23 THR 56 2HG2 THR 56 8.289 6.615 1.804 467 H LEU 57 H LEU 57 4.472 5.924 2.766 468 HA LEU 57 HA LEU 57 2.425 7.879 1.977 469 HB2 LEU 57 2HB LEU 57 2.056 5.614 4.012 470 HB3 LEU 57 1HB LEU 57 0.866 6.844 3.621 471 HG LEU 57 HG LEU 57 1.822 4.685 1.703 472 HD11 LEU 57 1HD1 LEU 57 0.554 3.677 3.533 473 HD12 LEU 57 2HD1 LEU 57 -0.391 3.645 2.045 474 HD13 LEU 57 3HD1 LEU 57 -0.763 4.835 3.295 475 HD21 LEU 57 3HD2 LEU 57 1.131 6.690 0.509 476 HD22 LEU 57 1HD2 LEU 57 -0.386 6.750 1.415 477 HD23 LEU 57 2HD2 LEU 57 -0.075 5.425 0.287 478 H SER 58 H SER 58 2.294 9.528 3.491 479 HA SER 58 HA SER 58 4.361 9.705 5.585 480 HB2 SER 58 2HB SER 58 2.324 11.801 4.670 481 HB3 SER 58 1HB SER 58 3.733 12.080 5.699 482 HG SER 58 HG SER 58 3.618 11.515 2.942 483 H GLU 59 H GLU 59 3.572 10.614 7.767 484 HA GLU 59 HA GLU 59 1.891 8.685 8.912 485 HB2 GLU 59 2HB GLU 59 2.819 11.346 10.072 486 HB3 GLU 59 1HB GLU 59 2.068 10.048 10.999 487 HG2 GLU 59 2HG GLU 59 3.962 8.536 10.247 488 HG3 GLU 59 1HG GLU 59 4.748 9.965 9.582 489 H GLU 60 H GLU 60 1.207 11.966 7.859 490 HA GLU 60 HA GLU 60 -1.413 12.270 8.859 491 HB2 GLU 60 2HB GLU 60 -0.200 13.508 6.350 492 HB3 GLU 60 1HB GLU 60 -1.604 14.107 7.231 493 HG2 GLU 60 2HG GLU 60 -0.228 14.641 9.168 494 HG3 GLU 60 1HG GLU 60 1.187 13.924 8.395 495 H GLU 61 H GLU 61 -0.216 11.132 5.698 496 HA GLU 61 HA GLU 61 -2.747 10.838 4.413 497 HB2 GLU 61 2HB GLU 61 -0.092 9.503 3.686 498 HB3 GLU 61 1HB GLU 61 -1.470 9.755 2.611 499 HG2 GLU 61 2HG GLU 61 -1.194 12.174 2.774 500 HG3 GLU 61 1HG GLU 61 0.143 11.963 3.903 501 H PHE 62 H PHE 62 -0.494 8.517 5.820 502 HA PHE 62 HA PHE 62 -2.024 6.169 5.595 503 HB2 PHE 62 2HB PHE 62 0.429 6.222 6.050 504 HB3 PHE 62 1HB PHE 62 0.119 6.870 7.658 505 HD1 PHE 62 HD2 PHE 62 -0.367 3.892 5.475 506 HD2 PHE 62 HD1 PHE 62 -0.452 5.399 9.477 507 HE1 PHE 62 HE2 PHE 62 -0.539 1.602 6.344 508 HE2 PHE 62 HE1 PHE 62 -0.629 3.105 10.331 509 HZ PHE 62 HZ PHE 62 -0.663 1.212 8.768 510 H GLY 63 H GLY 63 -1.867 8.691 8.131 511 HA2 GLY 63 2HA GLY 63 -3.565 7.589 10.055 512 HA3 GLY 63 1HA GLY 63 -3.373 9.307 9.733 513 H VAL 64 H VAL 64 -4.357 9.572 7.178 514 HA VAL 64 HA VAL 64 -7.158 9.613 7.400 515 HB VAL 64 HB VAL 64 -5.448 9.634 4.863 516 HG11 VAL 64 1HG1 VAL 64 -8.369 10.446 5.165 517 HG12 VAL 64 2HG1 VAL 64 -7.768 9.031 4.298 518 HG13 VAL 64 3HG1 VAL 64 -7.389 10.650 3.711 519 HG21 VAL 64 3HG2 VAL 64 -5.700 12.088 4.932 520 HG22 VAL 64 1HG2 VAL 64 -4.920 11.490 6.396 521 HG23 VAL 64 2HG2 VAL 64 -6.618 11.964 6.435 522 H LEU 65 H LEU 65 -4.951 7.224 5.880 523 HA LEU 65 HA LEU 65 -6.804 5.499 4.701 524 HB2 LEU 65 2HB LEU 65 -4.284 5.427 4.449 525 HB3 LEU 65 1HB LEU 65 -4.191 4.703 6.043 526 HG LEU 65 HG LEU 65 -5.602 2.759 5.123 527 HD11 LEU 65 1HD1 LEU 65 -5.673 2.442 2.697 528 HD12 LEU 65 2HD1 LEU 65 -4.957 4.036 2.447 529 HD13 LEU 65 3HD1 LEU 65 -6.558 3.891 3.175 530 HD21 LEU 65 3HD2 LEU 65 -3.175 2.571 5.479 531 HD22 LEU 65 1HD2 LEU 65 -2.873 3.227 3.868 532 HD23 LEU 65 2HD2 LEU 65 -3.677 1.666 4.053 533 H LEU 66 H LEU 66 -5.372 5.382 7.992 534 HA LEU 66 HA LEU 66 -6.601 3.078 8.989 535 HB2 LEU 66 2HB LEU 66 -5.750 5.599 10.481 536 HB3 LEU 66 1HB LEU 66 -6.111 4.056 11.243 537 HG LEU 66 HG LEU 66 -3.810 4.622 9.347 538 HD11 LEU 66 1HD1 LEU 66 -3.780 3.961 12.305 539 HD12 LEU 66 2HD1 LEU 66 -3.467 5.544 11.588 540 HD13 LEU 66 3HD1 LEU 66 -2.366 4.206 11.271 541 HD21 LEU 66 3HD2 LEU 66 -4.631 2.369 8.945 542 HD22 LEU 66 1HD2 LEU 66 -4.575 2.003 10.673 543 HD23 LEU 66 2HD2 LEU 66 -3.084 2.310 9.780 544 H LYS 67 H LYS 67 -7.575 6.472 9.264 545 HA LYS 67 HA LYS 67 -9.833 6.249 10.903 546 HB2 LYS 67 2HB LYS 67 -9.033 8.293 8.791 547 HB3 LYS 67 1HB LYS 67 -10.432 8.512 9.839 548 HG2 LYS 67 2HG LYS 67 -9.105 8.720 11.788 549 HG3 LYS 67 1HG LYS 67 -7.685 8.024 11.006 550 HD2 LYS 67 2HD LYS 67 -7.527 10.504 11.384 551 HD3 LYS 67 1HD LYS 67 -7.319 10.021 9.702 552 HE2 LYS 67 2HE LYS 67 -8.705 12.057 9.930 553 HE3 LYS 67 1HE LYS 67 -9.605 10.734 9.188 554 HZ1 LYS 67 3HZ LYS 67 -10.882 11.950 10.865 555 HZ2 LYS 67 1HZ LYS 67 -9.768 11.499 12.053 556 HZ3 LYS 67 2HZ LYS 67 -10.695 10.320 11.272 557 H GLU 68 H GLU 68 -9.667 6.481 7.352 558 HA GLU 68 HA GLU 68 -12.467 6.258 6.955 559 HB2 GLU 68 2HB GLU 68 -10.219 5.854 4.949 560 HB3 GLU 68 1HB GLU 68 -11.917 6.083 4.555 561 HG2 GLU 68 2HG GLU 68 -10.051 8.104 5.809 562 HG3 GLU 68 1HG GLU 68 -10.729 8.153 4.186 563 H LEU 69 H LEU 69 -9.811 3.882 6.947 564 HA LEU 69 HA LEU 69 -11.241 1.626 6.047 565 HB2 LEU 69 2HB LEU 69 -8.897 1.826 7.976 566 HB3 LEU 69 1HB LEU 69 -9.573 0.280 7.484 567 HG LEU 69 HG LEU 69 -8.297 2.306 5.601 568 HD11 LEU 69 1HD1 LEU 69 -6.641 1.273 7.080 569 HD12 LEU 69 2HD1 LEU 69 -6.443 0.725 5.419 570 HD13 LEU 69 3HD1 LEU 69 -7.201 -0.336 6.611 571 HD21 LEU 69 3HD2 LEU 69 -9.280 -0.504 5.025 572 HD22 LEU 69 1HD2 LEU 69 -8.448 0.572 3.897 573 HD23 LEU 69 2HD2 LEU 69 -10.053 0.996 4.491 574 H GLY 70 H GLY 70 -10.799 2.965 9.337 575 HA2 GLY 70 2HA GLY 70 -12.184 0.979 10.799 576 HA3 GLY 70 1HA GLY 70 -11.917 2.636 11.312 577 H ASN 71 H ASN 71 -13.265 3.917 9.198 578 HA ASN 71 HA ASN 71 -16.014 3.891 9.985 579 HB2 ASN 71 2HB ASN 71 -14.739 5.024 7.446 580 HB3 ASN 71 1HB ASN 71 -16.394 5.353 7.963 581 HD21 ASN 71 1HD2 ASN 71 -14.026 7.128 7.589 582 HD22 ASN 71 2HD2 ASN 71 -13.873 7.979 9.083 583 H LYS 72 H LYS 72 -14.730 3.007 6.781 584 HA LYS 72 HA LYS 72 -16.611 1.422 5.694 585 HB2 LYS 72 2HB LYS 72 -13.643 0.749 5.681 586 HB3 LYS 72 1HB LYS 72 -14.825 0.112 4.541 587 HG2 LYS 72 2HG LYS 72 -15.260 2.405 3.708 588 HG3 LYS 72 1HG LYS 72 -14.078 3.034 4.850 589 HD2 LYS 72 2HD LYS 72 -12.795 2.914 2.902 590 HD3 LYS 72 1HD LYS 72 -12.414 1.366 3.650 591 HE2 LYS 72 2HE LYS 72 -14.365 1.870 1.380 592 HE3 LYS 72 1HE LYS 72 -12.818 1.034 1.286 593 HZ1 LYS 72 3HZ LYS 72 -15.163 0.077 2.831 594 HZ2 LYS 72 1HZ LYS 72 -13.703 -0.743 2.611 595 HZ3 LYS 72 2HZ LYS 72 -14.725 -0.462 1.302 596 H LEU 73 H LEU 73 -14.592 0.334 8.411 597 HA LEU 73 HA LEU 73 -15.439 -2.453 8.196 598 HB2 LEU 73 2HB LEU 73 -13.605 -1.080 10.189 599 HB3 LEU 73 1HB LEU 73 -13.932 -2.806 10.172 600 HG LEU 73 HG LEU 73 -12.460 -1.221 8.045 601 HD11 LEU 73 1HD1 LEU 73 -11.483 -3.363 9.951 602 HD12 LEU 73 2HD1 LEU 73 -11.151 -1.632 10.058 603 HD13 LEU 73 3HD1 LEU 73 -10.524 -2.564 8.704 604 HD21 LEU 73 3HD2 LEU 73 -13.163 -4.175 8.007 605 HD22 LEU 73 1HD2 LEU 73 -12.103 -3.350 6.865 606 HD23 LEU 73 2HD2 LEU 73 -13.811 -2.931 6.936 607 H GLU 74 H GLU 74 -17.105 0.062 9.353 608 HA GLU 74 HA GLU 74 -18.071 -0.803 11.896 609 HB2 GLU 74 2HB GLU 74 -19.570 0.686 9.690 610 HB3 GLU 74 1HB GLU 74 -20.196 0.440 11.319 611 HG2 GLU 74 2HG GLU 74 -18.380 1.776 12.261 612 HG3 GLU 74 1HG GLU 74 -17.661 1.966 10.662 613 H HIS 75 H HIS 75 -19.353 -1.330 8.643 614 HA HIS 75 HA HIS 75 -20.017 -4.109 9.161 615 HB2 HIS 75 2HB HIS 75 -22.420 -3.687 8.202 616 HB3 HIS 75 1HB HIS 75 -22.128 -3.326 9.899 617 HD1 HIS 75 HD1 HIS 75 -23.289 -1.262 10.548 618 HD2 HIS 75 HD2 HIS 75 -21.851 -0.990 6.658 619 HE1 HIS 75 HE1 HIS 75 -23.869 1.048 9.771 620 HE2 HIS 75 HE2 HIS 75 -22.992 1.197 7.425 621 H HIS 76 H HIS 76 -20.646 -5.215 7.145 622 HA HIS 76 HA HIS 76 -18.843 -4.407 5.055 623 HB2 HIS 76 2HB HIS 76 -19.158 -6.790 5.871 624 HB3 HIS 76 1HB HIS 76 -20.728 -6.803 5.069 625 HD1 HIS 76 HD1 HIS 76 -20.476 -8.143 2.998 626 HD2 HIS 76 HD2 HIS 76 -17.138 -5.780 3.687 627 HE1 HIS 76 HE1 HIS 76 -18.988 -8.494 1.016 628 HE2 HIS 76 HE2 HIS 76 -16.898 -7.219 1.573 629 H HIS 77 H HIS 77 -22.293 -4.268 5.557 630 HA HIS 77 HA HIS 77 -23.945 -3.105 4.558 631 HB2 HIS 77 2HB HIS 77 -22.139 -1.352 4.201 632 HB3 HIS 77 1HB HIS 77 -21.852 -2.034 2.603 633 HD1 HIS 77 HD1 HIS 77 -24.426 -0.113 4.579 634 HD2 HIS 77 HD2 HIS 77 -23.597 -1.102 0.640 635 HE1 HIS 77 HE1 HIS 77 -26.018 1.237 3.197 636 HE2 HIS 77 HE2 HIS 77 -25.632 0.463 0.844 637 H HIS 78 H HIS 78 -22.612 -5.755 3.322 638 HA HIS 78 HA HIS 78 -23.687 -5.760 0.623 639 HB2 HIS 78 2HB HIS 78 -21.578 -7.019 1.377 640 HB3 HIS 78 1HB HIS 78 -22.645 -8.190 2.141 641 HD1 HIS 78 HD1 HIS 78 -23.901 -9.838 0.557 642 HD2 HIS 78 HD2 HIS 78 -21.536 -7.075 -1.454 643 HE1 HIS 78 HE1 HIS 78 -23.746 -10.666 -1.810 644 HE2 HIS 78 HE2 HIS 78 -22.415 -8.921 -3.026 645 H HIS 79 H HIS 79 -24.811 -6.551 3.772 646 HA HIS 79 HA HIS 79 -27.360 -7.575 2.670 647 HB2 HIS 79 2HB HIS 79 -26.022 -9.458 3.655 648 HB3 HIS 79 1HB HIS 79 -25.988 -8.618 5.200 649 HD1 HIS 79 HD1 HIS 79 -28.285 -8.473 6.520 650 HD2 HIS 79 HD2 HIS 79 -28.388 -10.848 3.104 651 HE1 HIS 79 HE1 HIS 79 -30.380 -9.844 6.708 652 HE2 HIS 79 HE2 HIS 79 -30.463 -11.201 4.601 653 H HIS 80 H HIS 80 -29.109 -6.751 3.565 654 HA HIS 80 HA HIS 80 -28.905 -4.646 5.635 655 HB2 HIS 80 2HB HIS 80 -29.977 -3.948 3.523 656 HB3 HIS 80 1HB HIS 80 -31.166 -5.235 3.672 657 HD1 HIS 80 HD1 HIS 80 -32.984 -4.947 5.542 658 HD2 HIS 80 HD2 HIS 80 -30.524 -1.643 5.018 659 HE1 HIS 80 HE1 HIS 80 -34.156 -3.049 6.688 660 HE2 HIS 80 HE2 HIS 80 -32.552 -1.123 6.530 661 H1 MET 1 1H MET 1 -0.402 -16.507 -16.565 662 H2 MET 1 2H MET 1 0.522 -17.920 -16.548 663 H3 MET 1 3H MET 1 -0.912 -17.855 -17.433 664 HA MET 1 HA MET 1 1.513 -16.267 -17.975 665 HB2 MET 1 2HB MET 1 0.293 -18.627 -19.491 666 HB3 MET 1 1HB MET 1 1.637 -17.649 -20.075 667 HG2 MET 1 2HG MET 1 2.476 -19.731 -19.167 668 HG3 MET 1 1HG MET 1 2.997 -18.394 -18.145 669 HE1 MET 1 3HE MET 1 -0.568 -20.162 -18.251 670 HE2 MET 1 1HE MET 1 -0.368 -21.355 -16.966 671 HE3 MET 1 2HE MET 1 0.570 -21.496 -18.453 672 H ALA 2 H ALA 2 0.469 -14.311 -18.205 673 HA ALA 2 HA ALA 2 -1.312 -13.990 -20.564 674 HB1 ALA 2 3HB ALA 2 -1.626 -12.562 -17.875 675 HB2 ALA 2 1HB ALA 2 -2.709 -13.800 -18.515 676 HB3 ALA 2 2HB ALA 2 -2.578 -12.241 -19.328 677 H ASP 3 H ASP 3 -0.104 -12.834 -21.991 678 HA ASP 3 HA ASP 3 2.277 -11.433 -21.358 679 HB2 ASP 3 2HB ASP 3 1.938 -12.417 -23.588 680 HB3 ASP 3 1HB ASP 3 0.556 -11.369 -23.887 681 H LYS 4 H LYS 4 -0.638 -9.996 -22.888 682 HA LYS 4 HA LYS 4 -0.081 -7.407 -21.661 683 HB2 LYS 4 2HB LYS 4 -0.835 -7.448 -24.012 684 HB3 LYS 4 1HB LYS 4 -2.318 -8.282 -23.553 685 HG2 LYS 4 2HG LYS 4 -3.064 -6.303 -22.280 686 HG3 LYS 4 1HG LYS 4 -1.561 -5.464 -22.663 687 HD2 LYS 4 2HD LYS 4 -3.596 -6.391 -24.726 688 HD3 LYS 4 1HD LYS 4 -3.499 -4.750 -24.087 689 HE2 LYS 4 2HE LYS 4 -1.288 -4.446 -25.054 690 HE3 LYS 4 1HE LYS 4 -1.233 -6.135 -25.566 691 HZ1 LYS 4 3HZ LYS 4 -3.132 -4.084 -26.564 692 HZ2 LYS 4 1HZ LYS 4 -3.086 -5.700 -27.057 693 HZ3 LYS 4 2HZ LYS 4 -1.785 -4.674 -27.393 694 H LEU 5 H LEU 5 -1.088 -6.660 -19.876 695 HA LEU 5 HA LEU 5 -3.128 -8.320 -18.564 696 HB2 LEU 5 2HB LEU 5 -1.666 -5.887 -17.439 697 HB3 LEU 5 1HB LEU 5 -2.694 -7.007 -16.551 698 HG LEU 5 HG LEU 5 0.085 -7.522 -17.664 699 HD11 LEU 5 1HD1 LEU 5 0.003 -6.411 -15.487 700 HD12 LEU 5 2HD1 LEU 5 0.652 -8.041 -15.338 701 HD13 LEU 5 3HD1 LEU 5 -1.011 -7.707 -14.843 702 HD21 LEU 5 3HD2 LEU 5 -0.104 -9.862 -16.904 703 HD22 LEU 5 1HD2 LEU 5 -1.236 -9.507 -18.208 704 HD23 LEU 5 2HD2 LEU 5 -1.814 -9.615 -16.544 705 H LYS 6 H LYS 6 -5.005 -7.387 -17.781 706 HA LYS 6 HA LYS 6 -5.920 -4.812 -18.932 707 HB2 LYS 6 2HB LYS 6 -7.501 -7.363 -18.307 708 HB3 LYS 6 1HB LYS 6 -8.242 -5.824 -18.723 709 HG2 LYS 6 2HG LYS 6 -6.378 -7.373 -20.544 710 HG3 LYS 6 1HG LYS 6 -8.139 -7.440 -20.624 711 HD2 LYS 6 2HD LYS 6 -6.423 -4.964 -21.083 712 HD3 LYS 6 1HD LYS 6 -7.230 -5.908 -22.334 713 HE2 LYS 6 2HE LYS 6 -8.549 -4.228 -20.174 714 HE3 LYS 6 1HE LYS 6 -8.551 -3.923 -21.910 715 HZ1 LYS 6 3HZ LYS 6 -9.833 -5.955 -22.204 716 HZ2 LYS 6 1HZ LYS 6 -10.635 -4.853 -21.208 717 HZ3 LYS 6 2HZ LYS 6 -9.863 -6.194 -20.533 718 H PHE 7 H PHE 7 -7.037 -3.456 -17.393 719 HA PHE 7 HA PHE 7 -7.367 -4.487 -14.674 720 HB2 PHE 7 2HB PHE 7 -6.394 -2.400 -13.722 721 HB3 PHE 7 1HB PHE 7 -5.200 -3.330 -14.603 722 HD1 PHE 7 HD1 PHE 7 -4.395 -2.512 -16.860 723 HD2 PHE 7 HD2 PHE 7 -6.926 -0.120 -14.367 724 HE1 PHE 7 HE1 PHE 7 -3.773 -0.501 -18.142 725 HE2 PHE 7 HE2 PHE 7 -6.300 1.878 -15.660 726 HZ PHE 7 HZ PHE 7 -4.726 1.691 -17.542 727 H GLU 8 H GLU 8 -9.279 -3.857 -13.829 728 HA GLU 8 HA GLU 8 -10.770 -1.612 -15.028 729 HB2 GLU 8 2HB GLU 8 -11.801 -3.629 -15.948 730 HB3 GLU 8 1HB GLU 8 -11.813 -4.411 -14.368 731 HG2 GLU 8 2HG GLU 8 -13.435 -2.704 -13.553 732 HG3 GLU 8 1HG GLU 8 -13.440 -1.962 -15.154 733 H ILE 9 H ILE 9 -11.323 -0.215 -13.424 734 HA ILE 9 HA ILE 9 -10.753 -0.906 -10.663 735 HB ILE 9 HB ILE 9 -11.884 1.701 -11.794 736 HG12 ILE 9 2HG1 ILE 9 -9.023 0.945 -11.009 737 HG13 ILE 9 1HG1 ILE 9 -9.598 1.195 -12.653 738 HG21 ILE 9 1HG2 ILE 9 -10.731 1.113 -9.026 739 HG22 ILE 9 2HG2 ILE 9 -12.437 1.389 -9.382 740 HG23 ILE 9 3HG2 ILE 9 -11.270 2.694 -9.600 741 HD11 ILE 9 3HD1 ILE 9 -8.346 3.090 -11.895 742 HD12 ILE 9 1HD1 ILE 9 -9.399 3.280 -10.494 743 HD13 ILE 9 2HD1 ILE 9 -10.033 3.546 -12.120 744 H ILE 10 H ILE 10 -12.135 -2.024 -9.629 745 HA ILE 10 HA ILE 10 -14.876 -2.455 -10.383 746 HB ILE 10 HB ILE 10 -13.335 -3.417 -7.920 747 HG12 ILE 10 2HG1 ILE 10 -12.254 -4.229 -9.970 748 HG13 ILE 10 1HG1 ILE 10 -13.076 -5.568 -9.179 749 HG21 ILE 10 1HG2 ILE 10 -15.969 -4.435 -9.071 750 HG22 ILE 10 2HG2 ILE 10 -15.768 -3.541 -7.564 751 HG23 ILE 10 3HG2 ILE 10 -15.089 -5.158 -7.723 752 HD11 ILE 10 3HD1 ILE 10 -13.406 -5.717 -11.545 753 HD12 ILE 10 1HD1 ILE 10 -14.004 -4.061 -11.623 754 HD13 ILE 10 2HD1 ILE 10 -14.949 -5.306 -10.802 755 H GLU 11 H GLU 11 -13.070 -0.798 -7.800 756 HA GLU 11 HA GLU 11 -15.298 0.943 -7.208 757 HB2 GLU 11 2HB GLU 11 -15.913 -1.158 -5.946 758 HB3 GLU 11 1HB GLU 11 -14.430 -1.000 -5.005 759 HG2 GLU 11 2HG GLU 11 -15.212 1.098 -4.033 760 HG3 GLU 11 1HG GLU 11 -16.631 1.096 -5.085 761 H GLU 12 H GLU 12 -14.662 2.714 -5.930 762 HA GLU 12 HA GLU 12 -11.759 3.012 -5.401 763 HB2 GLU 12 2HB GLU 12 -13.946 5.085 -5.870 764 HB3 GLU 12 1HB GLU 12 -12.282 5.480 -5.453 765 HG2 GLU 12 2HG GLU 12 -11.461 4.510 -7.530 766 HG3 GLU 12 1HG GLU 12 -13.069 3.914 -7.929 767 H LEU 13 H LEU 13 -11.037 3.299 -3.294 768 HA LEU 13 HA LEU 13 -13.164 2.894 -1.247 769 HB2 LEU 13 2HB LEU 13 -10.193 2.265 -0.995 770 HB3 LEU 13 1HB LEU 13 -11.463 1.822 0.134 771 HG LEU 13 HG LEU 13 -11.033 0.690 -2.656 772 HD11 LEU 13 1HD1 LEU 13 -9.518 -0.228 -0.990 773 HD12 LEU 13 2HD1 LEU 13 -10.688 -1.446 -1.479 774 HD13 LEU 13 3HD1 LEU 13 -10.869 -0.626 0.074 775 HD21 LEU 13 3HD2 LEU 13 -13.332 0.099 -0.757 776 HD22 LEU 13 1HD2 LEU 13 -12.979 -0.776 -2.252 777 HD23 LEU 13 2HD2 LEU 13 -13.441 0.921 -2.315 778 H ILE 14 H ILE 14 -9.951 4.466 -1.518 779 HA ILE 14 HA ILE 14 -10.770 6.709 0.204 780 HB ILE 14 HB ILE 14 -8.284 5.042 0.914 781 HG12 ILE 14 2HG1 ILE 14 -10.893 5.082 2.508 782 HG13 ILE 14 1HG1 ILE 14 -10.401 3.759 1.462 783 HG21 ILE 14 1HG2 ILE 14 -8.210 6.441 2.960 784 HG22 ILE 14 2HG2 ILE 14 -9.637 7.323 2.416 785 HG23 ILE 14 3HG2 ILE 14 -8.131 7.439 1.503 786 HD11 ILE 14 3HD1 ILE 14 -9.986 3.279 3.802 787 HD12 ILE 14 1HD1 ILE 14 -8.921 4.680 3.924 788 HD13 ILE 14 2HD1 ILE 14 -8.483 3.322 2.883 789 H VAL 15 H VAL 15 -9.850 8.566 -0.685 790 HA VAL 15 HA VAL 15 -7.305 8.364 -2.192 791 HB VAL 15 HB VAL 15 -9.079 10.828 -1.774 792 HG11 VAL 15 1HG1 VAL 15 -7.700 11.892 -3.538 793 HG12 VAL 15 2HG1 VAL 15 -6.671 10.460 -3.609 794 HG13 VAL 15 3HG1 VAL 15 -6.712 11.442 -2.144 795 HG21 VAL 15 3HG2 VAL 15 -10.225 9.154 -3.162 796 HG22 VAL 15 1HG2 VAL 15 -8.818 9.041 -4.224 797 HG23 VAL 15 2HG2 VAL 15 -9.746 10.541 -4.143 798 H LEU 16 H LEU 16 -5.414 8.891 -1.236 799 HA LEU 16 HA LEU 16 -5.418 9.834 1.576 800 HB2 LEU 16 2HB LEU 16 -3.167 8.524 -0.010 801 HB3 LEU 16 1HB LEU 16 -3.165 8.867 1.714 802 HG LEU 16 HG LEU 16 -5.009 6.879 0.337 803 HD11 LEU 16 1HD1 LEU 16 -2.733 6.045 0.313 804 HD12 LEU 16 2HD1 LEU 16 -3.680 5.141 1.494 805 HD13 LEU 16 3HD1 LEU 16 -2.545 6.385 2.037 806 HD21 LEU 16 3HD2 LEU 16 -4.651 7.462 3.291 807 HD22 LEU 16 1HD2 LEU 16 -5.669 6.202 2.591 808 HD23 LEU 16 2HD2 LEU 16 -6.051 7.897 2.307 809 H SER 17 H SER 17 -4.583 10.798 -1.643 810 HA SER 17 HA SER 17 -3.521 13.331 -0.921 811 HB2 SER 17 2HB SER 17 -1.568 11.856 -0.304 812 HB3 SER 17 1HB SER 17 -1.478 11.310 -1.977 813 HG SER 17 HG SER 17 -0.871 13.812 -0.854 814 H GLU 18 H GLU 18 -3.041 14.591 -2.734 815 HA GLU 18 HA GLU 18 -3.579 13.579 -5.466 816 HB2 GLU 18 2HB GLU 18 -5.685 14.557 -4.695 817 HB3 GLU 18 1HB GLU 18 -4.868 16.010 -4.125 818 HG2 GLU 18 2HG GLU 18 -4.340 16.647 -6.443 819 HG3 GLU 18 1HG GLU 18 -5.066 15.155 -7.039 820 H ASN 19 H ASN 19 -2.276 14.556 -7.033 821 HA ASN 19 HA ASN 19 0.021 16.112 -5.932 822 HB2 ASN 19 2HB ASN 19 0.285 13.961 -7.309 823 HB3 ASN 19 1HB ASN 19 -0.258 14.860 -8.712 824 HD21 ASN 19 1HD2 ASN 19 2.313 13.482 -7.788 825 HD22 ASN 19 2HD2 ASN 19 3.551 14.618 -8.180 826 H ALA 20 H ALA 20 0.888 17.973 -7.218 827 HA ALA 20 HA ALA 20 -0.945 19.914 -8.153 828 HB1 ALA 20 3HB ALA 20 1.349 20.452 -7.406 829 HB2 ALA 20 1HB ALA 20 1.053 21.090 -9.026 830 HB3 ALA 20 2HB ALA 20 2.010 19.620 -8.811 831 H LYS 21 H LYS 21 0.816 17.350 -9.773 832 HA LYS 21 HA LYS 21 -0.146 17.890 -12.463 833 HB2 LYS 21 2HB LYS 21 1.085 15.334 -11.316 834 HB3 LYS 21 1HB LYS 21 0.913 15.727 -13.023 835 HG2 LYS 21 2HG LYS 21 2.678 17.157 -11.017 836 HG3 LYS 21 1HG LYS 21 3.214 16.091 -12.321 837 HD2 LYS 21 2HD LYS 21 2.462 17.676 -14.008 838 HD3 LYS 21 1HD LYS 21 1.701 18.693 -12.783 839 HE2 LYS 21 2HE LYS 21 3.790 19.697 -13.500 840 HE3 LYS 21 1HE LYS 21 3.945 19.169 -11.824 841 HZ1 LYS 21 3HZ LYS 21 4.941 17.694 -14.194 842 HZ2 LYS 21 1HZ LYS 21 5.113 17.221 -12.583 843 HZ3 LYS 21 2HZ LYS 21 5.884 18.612 -13.137 844 H GLY 22 H GLY 22 -1.408 16.432 -9.664 845 HA2 GLY 22 2HA GLY 22 -3.791 16.180 -9.484 846 HA3 GLY 22 1HA GLY 22 -3.807 15.390 -11.057 847 H TRP 23 H TRP 23 -1.255 13.990 -10.301 848 HA TRP 23 HA TRP 23 -2.277 11.479 -10.048 849 HB2 TRP 23 2HB TRP 23 0.486 12.521 -9.339 850 HB3 TRP 23 1HB TRP 23 0.094 10.805 -9.294 851 HD1 TRP 23 HD1 TRP 23 -0.379 13.612 -11.995 852 HE1 TRP 23 HE1 TRP 23 0.410 12.656 -14.241 853 HE3 TRP 23 HE3 TRP 23 0.952 8.905 -10.474 854 HZ2 TRP 23 HZ2 TRP 23 1.423 10.233 -15.261 855 HZ3 TRP 23 HZ3 TRP 23 1.841 7.337 -12.150 856 HH2 TRP 23 HH2 TRP 23 2.069 7.991 -14.501 857 H ARG 24 H ARG 24 -3.387 10.528 -8.495 858 HA ARG 24 HA ARG 24 -3.307 11.536 -5.749 859 HB2 ARG 24 2HB ARG 24 -5.360 9.928 -7.315 860 HB3 ARG 24 1HB ARG 24 -5.471 10.171 -5.572 861 HG2 ARG 24 2HG ARG 24 -5.657 12.568 -5.853 862 HG3 ARG 24 1HG ARG 24 -5.381 12.439 -7.586 863 HD2 ARG 24 2HD ARG 24 -7.492 11.091 -7.757 864 HD3 ARG 24 1HD ARG 24 -7.773 11.389 -6.037 865 HE ARG 24 HE ARG 24 -7.452 13.887 -7.073 866 HH11 ARG 24 1HH1 ARG 24 -9.577 11.218 -7.913 867 HH12 ARG 24 2HH1 ARG 24 -10.841 12.249 -8.497 868 HH21 ARG 24 1HH2 ARG 24 -9.122 15.233 -7.826 869 HH22 ARG 24 2HH2 ARG 24 -10.584 14.530 -8.450 870 H LYS 25 H LYS 25 -2.410 10.346 -4.157 871 HA LYS 25 HA LYS 25 -1.670 7.534 -4.685 872 HB2 LYS 25 2HB LYS 25 -1.128 9.256 -2.209 873 HB3 LYS 25 1HB LYS 25 -0.614 7.581 -2.410 874 HG2 LYS 25 2HG LYS 25 0.677 8.377 -4.479 875 HG3 LYS 25 1HG LYS 25 0.371 10.020 -3.919 876 HD2 LYS 25 2HD LYS 25 1.870 7.850 -2.399 877 HD3 LYS 25 1HD LYS 25 2.598 9.238 -3.204 878 HE2 LYS 25 2HE LYS 25 0.676 9.409 -0.859 879 HE3 LYS 25 1HE LYS 25 2.431 9.510 -0.736 880 HZ1 LYS 25 3HZ LYS 25 2.390 11.487 -2.088 881 HZ2 LYS 25 1HZ LYS 25 1.401 11.679 -0.739 882 HZ3 LYS 25 2HZ LYS 25 0.712 11.391 -2.253 883 H GLU 26 H GLU 26 -3.417 6.292 -4.600 884 HA GLU 26 HA GLU 26 -5.412 6.658 -2.438 885 HB2 GLU 26 2HB GLU 26 -7.221 6.404 -4.119 886 HB3 GLU 26 1HB GLU 26 -6.221 7.812 -4.455 887 HG2 GLU 26 2HG GLU 26 -5.029 6.568 -6.220 888 HG3 GLU 26 1HG GLU 26 -6.013 5.141 -5.882 889 H LEU 27 H LEU 27 -6.666 4.899 -1.954 890 HA LEU 27 HA LEU 27 -5.798 2.217 -2.743 891 HB2 LEU 27 2HB LEU 27 -5.777 2.756 -0.329 892 HB3 LEU 27 1HB LEU 27 -7.450 3.278 -0.413 893 HG LEU 27 HG LEU 27 -8.096 0.901 -0.991 894 HD11 LEU 27 1HD1 LEU 27 -5.231 0.231 -0.261 895 HD12 LEU 27 2HD1 LEU 27 -5.970 0.068 -1.856 896 HD13 LEU 27 3HD1 LEU 27 -6.534 -0.931 -0.520 897 HD21 LEU 27 3HD2 LEU 27 -7.987 0.098 1.305 898 HD22 LEU 27 1HD2 LEU 27 -8.354 1.821 1.269 899 HD23 LEU 27 2HD2 LEU 27 -6.728 1.274 1.683 900 H ASN 28 H ASN 28 -7.037 1.327 -4.285 901 HA ASN 28 HA ASN 28 -9.967 1.469 -4.176 902 HB2 ASN 28 2HB ASN 28 -10.177 1.974 -6.596 903 HB3 ASN 28 1HB ASN 28 -9.376 3.292 -5.746 904 HD21 ASN 28 1HD2 ASN 28 -7.116 3.610 -6.105 905 HD22 ASN 28 2HD2 ASN 28 -6.336 2.962 -7.500 906 H ARG 29 H ARG 29 -10.932 -0.218 -5.597 907 HA ARG 29 HA ARG 29 -9.331 -2.673 -5.486 908 HB2 ARG 29 2HB ARG 29 -12.360 -2.332 -5.674 909 HB3 ARG 29 1HB ARG 29 -11.511 -3.878 -5.685 910 HG2 ARG 29 2HG ARG 29 -10.576 -3.242 -3.395 911 HG3 ARG 29 1HG ARG 29 -11.739 -1.910 -3.399 912 HD2 ARG 29 2HD ARG 29 -12.680 -3.790 -2.187 913 HD3 ARG 29 1HD ARG 29 -13.577 -3.587 -3.698 914 HE ARG 29 HE ARG 29 -11.397 -5.581 -3.431 915 HH11 ARG 29 1HH1 ARG 29 -14.727 -4.880 -4.278 916 HH12 ARG 29 2HH1 ARG 29 -15.028 -6.472 -4.894 917 HH21 ARG 29 1HH2 ARG 29 -11.818 -7.670 -4.234 918 HH22 ARG 29 2HH2 ARG 29 -13.390 -8.042 -4.866 919 H VAL 30 H VAL 30 -8.738 -3.606 -7.289 920 HA VAL 30 HA VAL 30 -9.861 -2.841 -9.920 921 HB VAL 30 HB VAL 30 -6.913 -3.417 -9.276 922 HG11 VAL 30 1HG1 VAL 30 -8.159 -2.508 -11.896 923 HG12 VAL 30 2HG1 VAL 30 -7.514 -4.115 -11.559 924 HG13 VAL 30 3HG1 VAL 30 -6.431 -2.722 -11.593 925 HG21 VAL 30 3HG2 VAL 30 -8.199 -0.740 -9.937 926 HG22 VAL 30 1HG2 VAL 30 -6.466 -1.026 -9.744 927 HG23 VAL 30 2HG2 VAL 30 -7.554 -1.223 -8.368 928 H SER 31 H SER 31 -9.895 -4.538 -11.444 929 HA SER 31 HA SER 31 -9.318 -7.305 -10.528 930 HB2 SER 31 2HB SER 31 -11.749 -6.930 -11.017 931 HB3 SER 31 1HB SER 31 -11.335 -6.429 -12.656 932 HG SER 31 HG SER 31 -11.805 -8.857 -11.842 933 H TRP 32 H TRP 32 -7.789 -8.334 -11.699 934 HA TRP 32 HA TRP 32 -6.589 -6.955 -14.023 935 HB2 TRP 32 2HB TRP 32 -5.356 -8.965 -12.072 936 HB3 TRP 32 1HB TRP 32 -4.525 -8.252 -13.451 937 HD1 TRP 32 HD1 TRP 32 -5.579 -7.455 -9.851 938 HE1 TRP 32 HE1 TRP 32 -4.443 -5.246 -9.138 939 HE3 TRP 32 HE3 TRP 32 -3.744 -5.928 -14.398 940 HZ2 TRP 32 HZ2 TRP 32 -3.039 -3.129 -10.320 941 HZ3 TRP 32 HZ3 TRP 32 -2.514 -3.794 -14.515 942 HH2 TRP 32 HH2 TRP 32 -2.169 -2.422 -12.515 943 H ASN 33 H ASN 33 -7.212 -7.801 -15.860 944 HA ASN 33 HA ASN 33 -7.895 -9.193 -17.544 945 HB2 ASN 33 2HB ASN 33 -6.156 -11.112 -15.931 946 HB3 ASN 33 1HB ASN 33 -6.895 -11.599 -17.455 947 HD21 ASN 33 1HD2 ASN 33 -4.051 -11.259 -16.626 948 HD22 ASN 33 2HD2 ASN 33 -3.377 -10.231 -17.840 949 H ASP 34 H ASP 34 -9.708 -8.800 -15.374 950 HA ASP 34 HA ASP 34 -11.556 -9.520 -14.320 951 HB2 ASP 34 2HB ASP 34 -11.702 -11.031 -16.939 952 HB3 ASP 34 1HB ASP 34 -12.952 -11.285 -15.725 953 H ALA 35 H ALA 35 -9.213 -10.778 -13.378 954 HA ALA 35 HA ALA 35 -10.009 -13.491 -12.585 955 HB1 ALA 35 3HB ALA 35 -7.619 -13.077 -13.007 956 HB2 ALA 35 1HB ALA 35 -7.867 -13.455 -11.298 957 HB3 ALA 35 2HB ALA 35 -7.604 -11.785 -11.809 958 H GLU 36 H GLU 36 -9.389 -13.566 -9.961 959 HA GLU 36 HA GLU 36 -11.377 -12.545 -8.398 960 HB2 GLU 36 2HB GLU 36 -9.784 -12.752 -6.428 961 HB3 GLU 36 1HB GLU 36 -9.913 -14.181 -7.440 962 HG2 GLU 36 2HG GLU 36 -7.751 -13.804 -8.423 963 HG3 GLU 36 1HG GLU 36 -7.648 -12.187 -7.729 964 HA PRO 37 HA PRO 37 -10.418 -8.043 -8.634 965 HB2 PRO 37 2HB PRO 37 -12.651 -7.209 -7.192 966 HB3 PRO 37 1HB PRO 37 -12.680 -7.553 -8.932 967 HG2 PRO 37 2HG PRO 37 -13.534 -9.308 -6.661 968 HG3 PRO 37 1HG PRO 37 -14.318 -9.044 -8.235 969 HD2 PRO 37 2HD PRO 37 -12.833 -11.252 -7.757 970 HD3 PRO 37 1HD PRO 37 -12.864 -10.486 -9.360 971 H LYS 38 H LYS 38 -9.225 -6.860 -7.164 972 HA LYS 38 HA LYS 38 -9.131 -7.652 -4.364 973 HB2 LYS 38 2HB LYS 38 -6.624 -7.969 -4.539 974 HB3 LYS 38 1HB LYS 38 -7.577 -9.221 -5.328 975 HG2 LYS 38 2HG LYS 38 -7.105 -8.162 -7.537 976 HG3 LYS 38 1HG LYS 38 -6.136 -6.932 -6.717 977 HD2 LYS 38 2HD LYS 38 -4.695 -8.707 -7.662 978 HD3 LYS 38 1HD LYS 38 -4.586 -8.673 -5.900 979 HE2 LYS 38 2HE LYS 38 -6.254 -10.560 -5.836 980 HE3 LYS 38 1HE LYS 38 -6.155 -10.645 -7.595 981 HZ1 LYS 38 3HZ LYS 38 -3.878 -11.016 -5.729 982 HZ2 LYS 38 1HZ LYS 38 -3.819 -11.159 -7.413 983 HZ3 LYS 38 2HZ LYS 38 -4.726 -12.256 -6.502 984 H TYR 39 H TYR 39 -7.366 -6.295 -3.313 985 HA TYR 39 HA TYR 39 -8.126 -3.538 -3.768 986 HB2 TYR 39 2HB TYR 39 -6.339 -4.759 -1.615 987 HB3 TYR 39 1HB TYR 39 -7.094 -3.163 -1.572 988 HD1 TYR 39 HD1 TYR 39 -7.734 -6.821 -1.301 989 HD2 TYR 39 HD2 TYR 39 -9.486 -2.928 -1.032 990 HE1 TYR 39 HE1 TYR 39 -9.725 -7.784 -0.239 991 HE2 TYR 39 HE2 TYR 39 -11.469 -3.908 0.032 992 HH TYR 39 HH TYR 39 -11.538 -7.083 1.230 993 H ASP 40 H ASP 40 -6.734 -1.901 -4.237 994 HA ASP 40 HA ASP 40 -3.896 -2.472 -4.897 995 HB2 ASP 40 2HB ASP 40 -5.501 -2.479 -6.936 996 HB3 ASP 40 1HB ASP 40 -5.714 -0.754 -6.659 997 H ILE 41 H ILE 41 -2.489 -0.858 -4.393 998 HA ILE 41 HA ILE 41 -3.505 1.698 -3.350 999 HB ILE 41 HB ILE 41 -3.288 0.354 -1.337 1000 HG12 ILE 41 2HG1 ILE 41 -0.908 2.247 -1.551 1001 HG13 ILE 41 1HG1 ILE 41 -2.563 2.737 -1.219 1002 HG21 ILE 41 1HG2 ILE 41 -0.433 -0.299 -2.132 1003 HG22 ILE 41 2HG2 ILE 41 -1.785 -1.430 -2.100 1004 HG23 ILE 41 3HG2 ILE 41 -1.190 -0.728 -0.594 1005 HD11 ILE 41 3HD1 ILE 41 -1.242 2.733 0.794 1006 HD12 ILE 41 1HD1 ILE 41 -0.809 1.041 0.555 1007 HD13 ILE 41 2HD1 ILE 41 -2.484 1.486 0.897 1008 H ARG 42 H ARG 42 -2.610 3.072 -4.598 1009 HA ARG 42 HA ARG 42 0.142 2.998 -5.560 1010 HB2 ARG 42 2HB ARG 42 -0.807 1.224 -6.939 1011 HB3 ARG 42 1HB ARG 42 -2.176 2.228 -7.396 1012 HG2 ARG 42 2HG ARG 42 -0.807 3.602 -8.810 1013 HG3 ARG 42 1HG ARG 42 0.679 2.888 -8.186 1014 HD2 ARG 42 2HD ARG 42 -1.390 1.231 -9.647 1015 HD3 ARG 42 1HD ARG 42 -0.138 2.132 -10.499 1016 HE ARG 42 HE ARG 42 1.530 0.811 -9.350 1017 HH11 ARG 42 1HH1 ARG 42 -1.726 -0.455 -9.205 1018 HH12 ARG 42 2HH1 ARG 42 -1.207 -2.079 -8.913 1019 HH21 ARG 42 1HH2 ARG 42 2.211 -1.289 -8.955 1020 HH22 ARG 42 2HH2 ARG 42 1.042 -2.562 -8.770 1021 H THR 43 H THR 43 0.584 4.816 -7.205 1022 HA THR 43 HA THR 43 -1.117 7.111 -6.651 1023 HB THR 43 HB THR 43 1.576 7.036 -8.099 1024 HG1 THR 43 HG1 THR 43 1.459 6.265 -5.726 1025 HG21 THR 43 3HG2 THR 43 0.235 9.079 -8.436 1026 HG22 THR 43 1HG2 THR 43 1.645 9.437 -7.435 1027 HG23 THR 43 2HG2 THR 43 0.051 9.268 -6.689 1028 H TRP 44 H TRP 44 -2.622 7.385 -8.165 1029 HA TRP 44 HA TRP 44 -2.297 6.338 -10.921 1030 HB2 TRP 44 2HB TRP 44 -4.786 6.717 -9.190 1031 HB3 TRP 44 1HB TRP 44 -4.851 6.362 -10.909 1032 HD1 TRP 44 HD1 TRP 44 -4.254 4.661 -7.527 1033 HE1 TRP 44 HE1 TRP 44 -4.419 2.111 -7.883 1034 HE3 TRP 44 HE3 TRP 44 -4.233 4.541 -12.644 1035 HZ2 TRP 44 HZ2 TRP 44 -4.433 0.291 -10.032 1036 HZ3 TRP 44 HZ3 TRP 44 -4.321 2.354 -13.776 1037 HH2 TRP 44 HH2 TRP 44 -4.418 0.268 -12.496 1038 H SER 45 H SER 45 -3.272 7.670 -12.561 1039 HA SER 45 HA SER 45 -3.222 10.525 -12.164 1040 HB2 SER 45 2HB SER 45 -4.051 10.518 -14.580 1041 HB3 SER 45 1HB SER 45 -2.535 9.658 -14.320 1042 HG SER 45 HG SER 45 -3.863 7.714 -14.174 1043 HA PRO 46 HA PRO 46 -7.674 11.182 -11.271 1044 HB2 PRO 46 2HB PRO 46 -7.918 13.275 -13.348 1045 HB3 PRO 46 1HB PRO 46 -8.049 13.423 -11.590 1046 HG2 PRO 46 2HG PRO 46 -5.922 14.320 -13.138 1047 HG3 PRO 46 1HG PRO 46 -5.909 14.120 -11.375 1048 HD2 PRO 46 2HD PRO 46 -4.556 12.506 -13.430 1049 HD3 PRO 46 1HD PRO 46 -4.291 12.536 -11.676 1050 H ASP 47 H ASP 47 -6.466 10.897 -14.552 1051 HA ASP 47 HA ASP 47 -8.985 10.041 -15.698 1052 HB2 ASP 47 2HB ASP 47 -6.174 10.264 -16.859 1053 HB3 ASP 47 1HB ASP 47 -7.567 9.720 -17.791 1054 H HIS 48 H HIS 48 -6.488 8.507 -13.945 1055 HA HIS 48 HA HIS 48 -6.081 6.415 -13.310 1056 HB2 HIS 48 2HB HIS 48 -8.953 6.157 -14.204 1057 HB3 HIS 48 1HB HIS 48 -8.096 4.749 -13.591 1058 HD1 HIS 48 HD1 HIS 48 -10.513 6.719 -12.321 1059 HD2 HIS 48 HD2 HIS 48 -6.660 5.966 -10.973 1060 HE1 HIS 48 HE1 HIS 48 -10.562 7.143 -9.844 1061 HE2 HIS 48 HE2 HIS 48 -8.218 6.707 -9.063 1062 H GLU 49 H GLU 49 -5.444 7.142 -16.167 1063 HA GLU 49 HA GLU 49 -5.202 4.417 -17.321 1064 HB2 GLU 49 2HB GLU 49 -4.883 5.507 -19.507 1065 HB3 GLU 49 1HB GLU 49 -6.437 5.924 -18.797 1066 HG2 GLU 49 2HG GLU 49 -5.942 8.156 -18.654 1067 HG3 GLU 49 1HG GLU 49 -4.266 7.875 -18.196 1068 H LYS 50 H LYS 50 -3.550 6.885 -15.796 1069 HA LYS 50 HA LYS 50 -0.883 5.903 -16.633 1070 HB2 LYS 50 2HB LYS 50 -1.681 8.650 -15.549 1071 HB3 LYS 50 1HB LYS 50 -0.029 8.140 -15.823 1072 HG2 LYS 50 2HG LYS 50 -2.036 8.275 -18.080 1073 HG3 LYS 50 1HG LYS 50 -1.138 9.694 -17.550 1074 HD2 LYS 50 2HD LYS 50 0.131 8.880 -19.361 1075 HD3 LYS 50 1HD LYS 50 0.995 8.283 -17.957 1076 HE2 LYS 50 2HE LYS 50 0.014 6.071 -18.251 1077 HE3 LYS 50 1HE LYS 50 -0.964 6.646 -19.602 1078 HZ1 LYS 50 3HZ LYS 50 2.001 6.578 -19.548 1079 HZ2 LYS 50 1HZ LYS 50 1.038 7.062 -20.844 1080 HZ3 LYS 50 2HZ LYS 50 1.014 5.455 -20.331 1081 H MET 51 H MET 51 0.483 5.288 -14.950 1082 HA MET 51 HA MET 51 -0.222 5.711 -12.176 1083 HB2 MET 51 2HB MET 51 -0.378 3.332 -11.587 1084 HB3 MET 51 1HB MET 51 -1.652 3.799 -12.695 1085 HG2 MET 51 2HG MET 51 -0.461 2.702 -14.548 1086 HG3 MET 51 1HG MET 51 0.844 2.254 -13.444 1087 HE1 MET 51 3HE MET 51 -1.060 -1.168 -14.167 1088 HE2 MET 51 1HE MET 51 0.488 -0.331 -14.291 1089 HE3 MET 51 2HE MET 51 -0.868 0.164 -15.308 1090 H GLY 52 H GLY 52 1.342 4.528 -10.723 1091 HA2 GLY 52 2HA GLY 52 4.034 4.120 -11.761 1092 HA3 GLY 52 1HA GLY 52 3.790 5.620 -10.862 1093 H LYS 53 H LYS 53 4.748 5.279 -8.911 1094 HA LYS 53 HA LYS 53 5.351 3.019 -7.520 1095 HB2 LYS 53 2HB LYS 53 4.467 5.690 -6.341 1096 HB3 LYS 53 1HB LYS 53 5.245 4.420 -5.406 1097 HG2 LYS 53 2HG LYS 53 6.497 5.883 -7.743 1098 HG3 LYS 53 1HG LYS 53 6.790 6.229 -6.037 1099 HD2 LYS 53 2HD LYS 53 7.612 3.819 -5.813 1100 HD3 LYS 53 1HD LYS 53 7.548 3.716 -7.574 1101 HE2 LYS 53 2HE LYS 53 9.262 5.597 -5.917 1102 HE3 LYS 53 1HE LYS 53 9.818 4.235 -6.891 1103 HZ1 LYS 53 3HZ LYS 53 8.610 6.756 -7.871 1104 HZ2 LYS 53 1HZ LYS 53 8.936 5.420 -8.849 1105 HZ3 LYS 53 2HZ LYS 53 10.200 6.227 -8.087 1106 H GLY 54 H GLY 54 3.928 1.272 -7.101 1107 HA2 GLY 54 2HA GLY 54 2.183 1.537 -4.942 1108 HA3 GLY 54 1HA GLY 54 1.254 1.470 -6.433 1109 H ILE 55 H ILE 55 0.658 -0.446 -4.948 1110 HA ILE 55 HA ILE 55 1.823 -2.874 -6.033 1111 HB ILE 55 HB ILE 55 3.328 -2.368 -4.115 1112 HG12 ILE 55 2HG1 ILE 55 1.569 -4.794 -3.534 1113 HG13 ILE 55 1HG1 ILE 55 2.883 -4.754 -4.705 1114 HG21 ILE 55 1HG2 ILE 55 2.537 -2.388 -1.778 1115 HG22 ILE 55 2HG2 ILE 55 0.873 -2.562 -2.337 1116 HG23 ILE 55 3HG2 ILE 55 1.771 -1.088 -2.698 1117 HD11 ILE 55 3HD1 ILE 55 3.146 -4.428 -1.721 1118 HD12 ILE 55 1HD1 ILE 55 4.473 -4.339 -2.884 1119 HD13 ILE 55 2HD1 ILE 55 3.578 -5.843 -2.678 1120 H THR 56 H THR 56 0.490 -4.680 -5.678 1121 HA THR 56 HA THR 56 -2.345 -4.019 -5.153 1122 HB THR 56 HB THR 56 -1.472 -6.571 -6.568 1123 HG1 THR 56 HG1 THR 56 -1.912 -4.044 -7.825 1124 HG21 THR 56 3HG2 THR 56 -3.917 -4.803 -6.826 1125 HG22 THR 56 1HG2 THR 56 -3.840 -6.324 -5.923 1126 HG23 THR 56 2HG2 THR 56 -3.645 -6.322 -7.678 1127 H LEU 57 H LEU 57 -3.549 -5.321 -3.799 1128 HA LEU 57 HA LEU 57 -2.235 -7.263 -2.010 1129 HB2 LEU 57 2HB LEU 57 -4.416 -5.240 -1.269 1130 HB3 LEU 57 1HB LEU 57 -3.653 -6.385 -0.178 1131 HG LEU 57 HG LEU 57 -2.281 -3.989 -1.460 1132 HD11 LEU 57 1HD1 LEU 57 -3.933 -3.302 0.220 1133 HD12 LEU 57 2HD1 LEU 57 -2.295 -2.999 0.788 1134 HD13 LEU 57 3HD1 LEU 57 -3.201 -4.381 1.411 1135 HD21 LEU 57 3HD2 LEU 57 -0.697 -5.808 -1.090 1136 HD22 LEU 57 1HD2 LEU 57 -1.223 -5.959 0.589 1137 HD23 LEU 57 2HD2 LEU 57 -0.399 -4.496 0.046 1138 H SER 58 H SER 58 -3.442 -9.127 -1.841 1139 HA SER 58 HA SER 58 -6.045 -9.346 -3.198 1140 HB2 SER 58 2HB SER 58 -4.483 -11.552 -1.763 1141 HB3 SER 58 1HB SER 58 -5.803 -11.752 -2.919 1142 HG SER 58 HG SER 58 -3.119 -11.209 -3.351 1143 H GLU 59 H GLU 59 -7.698 -10.718 -1.770 1144 HA GLU 59 HA GLU 59 -8.515 -9.075 0.343 1145 HB2 GLU 59 2HB GLU 59 -9.402 -11.942 -0.175 1146 HB3 GLU 59 1HB GLU 59 -10.266 -10.734 0.774 1147 HG2 GLU 59 2HG GLU 59 -10.546 -9.345 -1.258 1148 HG3 GLU 59 1HG GLU 59 -9.729 -10.588 -2.208 1149 H GLU 60 H GLU 60 -6.592 -12.037 0.359 1150 HA GLU 60 HA GLU 60 -6.453 -12.595 3.076 1151 HB2 GLU 60 2HB GLU 60 -4.182 -12.887 1.056 1152 HB3 GLU 60 1HB GLU 60 -4.352 -13.762 2.576 1153 HG2 GLU 60 2HG GLU 60 -6.392 -14.865 1.708 1154 HG3 GLU 60 1HG GLU 60 -6.186 -14.005 0.178 1155 H GLU 61 H GLU 61 -4.152 -10.622 1.138 1156 HA GLU 61 HA GLU 61 -2.476 -9.854 3.257 1157 HB2 GLU 61 2HB GLU 61 -2.968 -8.414 0.606 1158 HB3 GLU 61 1HB GLU 61 -1.701 -7.978 1.746 1159 HG2 GLU 61 2HG GLU 61 -0.467 -9.264 0.322 1160 HG3 GLU 61 1HG GLU 61 -0.992 -10.523 1.427 1161 H PHE 62 H PHE 62 -5.167 -8.145 1.716 1162 HA PHE 62 HA PHE 62 -4.985 -5.788 3.260 1163 HB2 PHE 62 2HB PHE 62 -6.015 -5.996 0.967 1164 HB3 PHE 62 1HB PHE 62 -7.390 -6.813 1.703 1165 HD1 PHE 62 HD2 PHE 62 -5.505 -3.598 1.615 1166 HD2 PHE 62 HD1 PHE 62 -9.153 -5.526 2.729 1167 HE1 PHE 62 HE2 PHE 62 -6.554 -1.410 1.996 1168 HE2 PHE 62 HE1 PHE 62 -10.191 -3.331 3.107 1169 HZ PHE 62 HZ PHE 62 -8.900 -1.274 2.733 1170 H GLY 63 H GLY 63 -6.922 -8.803 3.631 1171 HA2 GLY 63 2HA GLY 63 -8.575 -7.977 5.745 1172 HA3 GLY 63 1HA GLY 63 -8.076 -9.627 5.401 1173 H VAL 64 H VAL 64 -5.394 -9.617 5.792 1174 HA VAL 64 HA VAL 64 -4.958 -9.632 8.571 1175 HB VAL 64 HB VAL 64 -2.906 -9.515 6.309 1176 HG11 VAL 64 1HG1 VAL 64 -1.267 -10.428 7.929 1177 HG12 VAL 64 2HG1 VAL 64 -2.462 -10.287 9.220 1178 HG13 VAL 64 3HG1 VAL 64 -1.850 -8.836 8.425 1179 HG21 VAL 64 3HG2 VAL 64 -2.753 -11.964 6.563 1180 HG22 VAL 64 1HG2 VAL 64 -4.403 -11.479 6.172 1181 HG23 VAL 64 2HG2 VAL 64 -3.986 -11.924 7.826 1182 H LEU 65 H LEU 65 -4.329 -7.147 6.094 1183 HA LEU 65 HA LEU 65 -2.861 -5.296 7.592 1184 HB2 LEU 65 2HB LEU 65 -3.180 -5.265 5.097 1185 HB3 LEU 65 1HB LEU 65 -4.833 -4.733 5.345 1186 HG LEU 65 HG LEU 65 -3.880 -2.646 6.492 1187 HD11 LEU 65 1HD1 LEU 65 -1.655 -3.482 7.035 1188 HD12 LEU 65 2HD1 LEU 65 -1.558 -2.034 6.040 1189 HD13 LEU 65 3HD1 LEU 65 -1.259 -3.618 5.319 1190 HD21 LEU 65 3HD2 LEU 65 -4.758 -2.589 4.200 1191 HD22 LEU 65 1HD2 LEU 65 -3.182 -3.071 3.565 1192 HD23 LEU 65 2HD2 LEU 65 -3.377 -1.511 4.371 1193 H LEU 66 H LEU 66 -6.412 -5.447 6.959 1194 HA LEU 66 HA LEU 66 -7.268 -3.237 8.436 1195 HB2 LEU 66 2HB LEU 66 -8.674 -5.889 7.900 1196 HB3 LEU 66 1HB LEU 66 -9.482 -4.456 8.518 1197 HG LEU 66 HG LEU 66 -8.119 -4.615 5.807 1198 HD11 LEU 66 1HD1 LEU 66 -11.070 -4.846 6.473 1199 HD12 LEU 66 2HD1 LEU 66 -10.026 -6.123 5.845 1200 HD13 LEU 66 3HD1 LEU 66 -10.388 -4.718 4.849 1201 HD21 LEU 66 3HD2 LEU 66 -8.176 -2.335 6.695 1202 HD22 LEU 66 1HD2 LEU 66 -9.915 -2.462 6.975 1203 HD23 LEU 66 2HD2 LEU 66 -9.275 -2.500 5.331 1204 H LYS 67 H LYS 67 -6.959 -6.646 9.362 1205 HA LYS 67 HA LYS 67 -7.935 -6.683 11.965 1206 HB2 LYS 67 2HB LYS 67 -5.834 -8.296 10.495 1207 HB3 LYS 67 1HB LYS 67 -6.115 -8.606 12.202 1208 HG2 LYS 67 2HG LYS 67 -8.335 -9.357 11.816 1209 HG3 LYS 67 1HG LYS 67 -8.353 -8.719 10.171 1210 HD2 LYS 67 2HD LYS 67 -8.058 -11.284 10.471 1211 HD3 LYS 67 1HD LYS 67 -6.992 -10.456 9.338 1212 HE2 LYS 67 2HE LYS 67 -5.781 -12.117 10.726 1213 HE3 LYS 67 1HE LYS 67 -5.167 -10.488 10.977 1214 HZ1 LYS 67 3HZ LYS 67 -5.412 -11.728 13.046 1215 HZ2 LYS 67 1HZ LYS 67 -7.067 -11.895 12.769 1216 HZ3 LYS 67 2HZ LYS 67 -6.410 -10.366 13.030 1217 H GLU 68 H GLU 68 -4.531 -6.360 10.945 1218 HA GLU 68 HA GLU 68 -3.658 -6.076 13.671 1219 HB2 GLU 68 2HB GLU 68 -2.016 -5.876 11.126 1220 HB3 GLU 68 1HB GLU 68 -1.402 -6.104 12.756 1221 HG2 GLU 68 2HG GLU 68 -3.004 -8.068 11.110 1222 HG3 GLU 68 1HG GLU 68 -1.329 -8.227 11.620 1223 H LEU 69 H LEU 69 -4.294 -3.862 11.004 1224 HA LEU 69 HA LEU 69 -3.187 -1.500 12.163 1225 HB2 LEU 69 2HB LEU 69 -5.538 -1.848 10.253 1226 HB3 LEU 69 1HB LEU 69 -4.958 -0.273 10.773 1227 HG LEU 69 HG LEU 69 -3.374 -2.291 9.142 1228 HD11 LEU 69 1HD1 LEU 69 -4.608 0.354 8.312 1229 HD12 LEU 69 2HD1 LEU 69 -5.169 -1.254 7.847 1230 HD13 LEU 69 3HD1 LEU 69 -3.594 -0.684 7.303 1231 HD21 LEU 69 3HD2 LEU 69 -1.891 -1.011 10.603 1232 HD22 LEU 69 1HD2 LEU 69 -2.590 0.504 10.010 1233 HD23 LEU 69 2HD2 LEU 69 -1.682 -0.546 8.916 1234 H GLY 70 H GLY 70 -6.353 -3.085 12.314 1235 HA2 GLY 70 2HA GLY 70 -7.746 -1.258 13.942 1236 HA3 GLY 70 1HA GLY 70 -8.110 -2.966 13.770 1237 H ASN 71 H ASN 71 -5.599 -3.930 14.734 1238 HA ASN 71 HA ASN 71 -5.803 -3.816 17.581 1239 HB2 ASN 71 2HB ASN 71 -3.360 -4.606 15.912 1240 HB3 ASN 71 1HB ASN 71 -3.588 -4.962 17.623 1241 HD21 ASN 71 1HD2 ASN 71 -3.067 -6.863 15.613 1242 HD22 ASN 71 2HD2 ASN 71 -4.428 -7.921 15.510 1243 H LYS 72 H LYS 72 -3.172 -2.611 15.524 1244 HA LYS 72 HA LYS 72 -1.886 -0.806 17.127 1245 HB2 LYS 72 2HB LYS 72 -2.318 -0.504 14.128 1246 HB3 LYS 72 1HB LYS 72 -1.099 0.370 15.057 1247 HG2 LYS 72 2HG LYS 72 -0.001 -1.755 15.650 1248 HG3 LYS 72 1HG LYS 72 -1.237 -2.643 14.760 1249 HD2 LYS 72 2HD LYS 72 0.715 -2.503 13.350 1250 HD3 LYS 72 1HD LYS 72 -0.513 -1.437 12.661 1251 HE2 LYS 72 2HE LYS 72 1.730 -0.400 12.636 1252 HE3 LYS 72 1HE LYS 72 0.622 0.515 13.665 1253 HZ1 LYS 72 3HZ LYS 72 1.577 -0.536 15.597 1254 HZ2 LYS 72 1HZ LYS 72 2.804 0.175 14.682 1255 HZ3 LYS 72 2HZ LYS 72 2.579 -1.494 14.631 1256 H LEU 73 H LEU 73 -5.091 -0.224 15.885 1257 HA LEU 73 HA LEU 73 -5.071 2.638 16.196 1258 HB2 LEU 73 2HB LEU 73 -7.327 0.641 15.831 1259 HB3 LEU 73 1HB LEU 73 -7.625 2.360 16.031 1260 HG LEU 73 HG LEU 73 -6.049 1.106 13.748 1261 HD11 LEU 73 1HD1 LEU 73 -8.813 2.358 13.721 1262 HD12 LEU 73 2HD1 LEU 73 -8.449 0.637 13.574 1263 HD13 LEU 73 3HD1 LEU 73 -7.926 1.755 12.317 1264 HD21 LEU 73 3HD2 LEU 73 -5.168 3.325 14.296 1265 HD22 LEU 73 1HD2 LEU 73 -6.792 4.017 14.212 1266 HD23 LEU 73 2HD2 LEU 73 -6.026 3.366 12.762 1267 H GLU 74 H GLU 74 -4.505 0.685 18.614 1268 HA GLU 74 HA GLU 74 -6.169 1.401 20.753 1269 HB2 GLU 74 2HB GLU 74 -3.128 1.033 20.716 1270 HB3 GLU 74 1HB GLU 74 -4.096 1.116 22.182 1271 HG2 GLU 74 2HG GLU 74 -5.270 -0.941 21.560 1272 HG3 GLU 74 1HG GLU 74 -4.366 -1.013 20.055 1273 H HIS 75 H HIS 75 -3.076 2.889 19.905 1274 HA HIS 75 HA HIS 75 -3.866 5.552 19.685 1275 HB2 HIS 75 2HB HIS 75 -2.722 6.509 21.756 1276 HB3 HIS 75 1HB HIS 75 -4.249 5.702 22.065 1277 HD1 HIS 75 HD1 HIS 75 -4.209 3.593 23.539 1278 HD2 HIS 75 HD2 HIS 75 -0.453 5.263 22.909 1279 HE1 HIS 75 HE1 HIS 75 -2.701 2.539 25.246 1280 HE2 HIS 75 HE2 HIS 75 -0.404 3.361 24.652 1281 H HIS 76 H HIS 76 -2.219 6.639 18.634 1282 HA HIS 76 HA HIS 76 0.012 5.006 17.768 1283 HB2 HIS 76 2HB HIS 76 -1.276 6.310 16.107 1284 HB3 HIS 76 1HB HIS 76 -0.814 7.813 16.897 1285 HD1 HIS 76 HD1 HIS 76 1.635 8.633 16.569 1286 HD2 HIS 76 HD2 HIS 76 0.758 5.133 14.512 1287 HE1 HIS 76 HE1 HIS 76 3.562 8.272 15.010 1288 HE2 HIS 76 HE2 HIS 76 3.045 6.111 13.840 1289 H HIS 77 H HIS 77 0.890 5.003 19.962 1290 HA HIS 77 HA HIS 77 3.404 5.930 20.117 1291 HB2 HIS 77 2HB HIS 77 3.515 7.733 21.782 1292 HB3 HIS 77 1HB HIS 77 2.572 8.277 20.407 1293 HD1 HIS 77 HD1 HIS 77 2.601 8.765 23.811 1294 HD2 HIS 77 HD2 HIS 77 -0.450 7.645 21.216 1295 HE1 HIS 77 HE1 HIS 77 0.469 9.404 24.960 1296 HE2 HIS 77 HE2 HIS 77 -1.354 8.757 23.364 1297 H HIS 78 H HIS 78 4.331 5.625 22.431 1298 HA HIS 78 HA HIS 78 3.109 3.405 23.792 1299 HB2 HIS 78 2HB HIS 78 4.907 3.637 25.457 1300 HB3 HIS 78 1HB HIS 78 5.563 3.701 23.834 1301 HD1 HIS 78 HD1 HIS 78 6.213 6.198 22.986 1302 HD2 HIS 78 HD2 HIS 78 5.665 5.695 27.071 1303 HE1 HIS 78 HE1 HIS 78 7.321 8.163 24.062 1304 HE2 HIS 78 HE2 HIS 78 6.751 7.958 26.488 1305 H HIS 79 H HIS 79 2.686 3.607 26.268 1306 HA HIS 79 HA HIS 79 0.217 4.769 26.502 1307 HB2 HIS 79 2HB HIS 79 1.033 2.923 27.918 1308 HB3 HIS 79 1HB HIS 79 2.103 4.027 28.774 1309 HD1 HIS 79 HD1 HIS 79 1.191 4.522 30.996 1310 HD2 HIS 79 HD2 HIS 79 -1.836 4.074 28.191 1311 HE1 HIS 79 HE1 HIS 79 -0.951 4.913 32.242 1312 HE2 HIS 79 HE2 HIS 79 -2.737 4.815 30.486 1313 H HIS 80 H HIS 80 3.265 6.360 27.310 1314 HA HIS 80 HA HIS 80 1.861 8.928 27.534 1315 HB2 HIS 80 2HB HIS 80 3.796 7.931 29.679 1316 HB3 HIS 80 1HB HIS 80 3.367 9.626 29.490 1317 HD1 HIS 80 HD1 HIS 80 0.473 9.758 29.369 1318 HD2 HIS 80 HD2 HIS 80 2.356 6.903 31.723 1319 HE1 HIS 80 HE1 HIS 80 -1.217 9.092 31.095 1320 HE2 HIS 80 HE2 HIS 80 0.027 7.542 32.631 Start of MODEL 3 1 H1 MET 1 1H MET 1 21.468 18.203 -2.706 2 H2 MET 1 2H MET 1 22.371 16.775 -2.671 3 H3 MET 1 3H MET 1 20.880 16.849 -1.880 4 HA MET 1 HA MET 1 19.709 17.077 -3.931 5 HB2 MET 1 2HB MET 1 21.539 18.353 -5.088 6 HB3 MET 1 1HB MET 1 22.460 16.865 -5.240 7 HG2 MET 1 2HG MET 1 20.740 15.932 -6.705 8 HG3 MET 1 1HG MET 1 19.764 17.388 -6.507 9 HE1 MET 1 3HE MET 1 23.734 17.172 -6.994 10 HE2 MET 1 1HE MET 1 23.828 17.334 -8.748 11 HE3 MET 1 2HE MET 1 23.104 15.894 -8.037 12 H ALA 2 H ALA 2 18.816 15.150 -3.249 13 HA ALA 2 HA ALA 2 20.418 12.696 -3.154 14 HB1 ALA 2 3HB ALA 2 17.568 13.197 -2.241 15 HB2 ALA 2 1HB ALA 2 19.008 13.277 -1.222 16 HB3 ALA 2 2HB ALA 2 18.520 11.740 -1.939 17 H ASP 3 H ASP 3 20.593 12.722 -5.563 18 HA ASP 3 HA ASP 3 18.377 11.966 -7.228 19 HB2 ASP 3 2HB ASP 3 21.371 11.489 -7.650 20 HB3 ASP 3 1HB ASP 3 20.127 11.280 -8.881 21 H LYS 4 H LYS 4 21.067 10.200 -5.777 22 HA LYS 4 HA LYS 4 19.863 7.578 -6.081 23 HB2 LYS 4 2HB LYS 4 22.327 7.832 -6.115 24 HB3 LYS 4 1HB LYS 4 22.297 8.552 -4.509 25 HG2 LYS 4 2HG LYS 4 21.380 6.361 -3.628 26 HG3 LYS 4 1HG LYS 4 21.633 5.680 -5.239 27 HD2 LYS 4 2HD LYS 4 23.521 5.095 -3.796 28 HD3 LYS 4 1HD LYS 4 24.069 6.199 -5.060 29 HE2 LYS 4 2HE LYS 4 23.903 8.088 -3.416 30 HE3 LYS 4 1HE LYS 4 23.467 6.922 -2.164 31 HZ1 LYS 4 3HZ LYS 4 25.610 5.825 -2.525 32 HZ2 LYS 4 1HZ LYS 4 25.806 7.438 -2.061 33 HZ3 LYS 4 2HZ LYS 4 26.031 6.992 -3.675 34 H LEU 5 H LEU 5 18.532 6.644 -4.563 35 HA LEU 5 HA LEU 5 17.892 8.198 -2.141 36 HB2 LEU 5 2HB LEU 5 16.273 5.917 -3.357 37 HB3 LEU 5 1HB LEU 5 15.793 6.966 -2.029 38 HG LEU 5 HG LEU 5 15.998 7.673 -4.978 39 HD11 LEU 5 1HD1 LEU 5 13.923 6.579 -4.282 40 HD12 LEU 5 2HD1 LEU 5 13.623 8.258 -4.726 41 HD13 LEU 5 3HD1 LEU 5 13.681 7.794 -3.022 42 HD21 LEU 5 3HD2 LEU 5 16.977 9.563 -3.776 43 HD22 LEU 5 1HD2 LEU 5 15.586 9.628 -2.688 44 HD23 LEU 5 2HD2 LEU 5 15.391 9.996 -4.404 45 H LYS 6 H LYS 6 17.872 7.198 -0.150 46 HA LYS 6 HA LYS 6 19.212 4.563 0.103 47 HB2 LYS 6 2HB LYS 6 19.221 6.887 2.104 48 HB3 LYS 6 1HB LYS 6 20.012 5.334 2.332 49 HG2 LYS 6 2HG LYS 6 20.747 7.466 0.313 50 HG3 LYS 6 1HG LYS 6 21.647 7.042 1.766 51 HD2 LYS 6 2HD LYS 6 21.226 5.258 -0.663 52 HD3 LYS 6 1HD LYS 6 22.710 6.118 -0.257 53 HE2 LYS 6 2HE LYS 6 22.940 4.770 1.799 54 HE3 LYS 6 1HE LYS 6 21.443 3.915 1.412 55 HZ1 LYS 6 3HZ LYS 6 22.490 3.071 -0.602 56 HZ2 LYS 6 1HZ LYS 6 23.383 2.636 0.766 57 HZ3 LYS 6 2HZ LYS 6 23.918 3.888 -0.229 58 H PHE 7 H PHE 7 18.212 3.143 1.755 59 HA PHE 7 HA PHE 7 15.611 4.035 2.782 60 HB2 PHE 7 2HB PHE 7 14.679 1.749 2.178 61 HB3 PHE 7 1HB PHE 7 15.000 2.775 0.792 62 HD1 PHE 7 HD1 PHE 7 16.956 2.283 -0.711 63 HD2 PHE 7 HD2 PHE 7 15.846 -0.370 2.458 64 HE1 PHE 7 HE1 PHE 7 18.296 0.487 -1.738 65 HE2 PHE 7 HE2 PHE 7 17.189 -2.157 1.426 66 HZ PHE 7 HZ PHE 7 18.413 -1.731 -0.668 67 H GLU 8 H GLU 8 15.482 3.588 4.932 68 HA GLU 8 HA GLU 8 17.151 1.434 6.071 69 HB2 GLU 8 2HB GLU 8 18.295 3.633 6.450 70 HB3 GLU 8 1HB GLU 8 16.844 4.250 7.236 71 HG2 GLU 8 2HG GLU 8 17.067 2.593 9.026 72 HG3 GLU 8 1HG GLU 8 18.461 1.875 8.222 73 H ILE 9 H ILE 9 15.899 0.108 7.265 74 HA ILE 9 HA ILE 9 13.077 0.735 7.543 75 HB ILE 9 HB ILE 9 14.621 -1.825 8.194 76 HG12 ILE 9 2HG1 ILE 9 12.799 -1.102 5.842 77 HG13 ILE 9 1HG1 ILE 9 14.547 -1.275 5.766 78 HG21 ILE 9 1HG2 ILE 9 11.603 -1.379 8.167 79 HG22 ILE 9 2HG2 ILE 9 12.588 -1.645 9.607 80 HG23 ILE 9 3HG2 ILE 9 12.414 -2.928 8.411 81 HD11 ILE 9 3HD1 ILE 9 14.322 -3.661 6.265 82 HD12 ILE 9 1HD1 ILE 9 13.431 -3.190 4.819 83 HD13 ILE 9 2HD1 ILE 9 12.567 -3.479 6.327 84 H ILE 10 H ILE 10 12.559 1.938 9.139 85 HA ILE 10 HA ILE 10 14.093 2.316 11.562 86 HB ILE 10 HB ILE 10 11.392 3.471 10.703 87 HG12 ILE 10 2HG1 ILE 10 13.109 4.206 9.154 88 HG13 ILE 10 1HG1 ILE 10 12.727 5.560 10.208 89 HG21 ILE 10 1HG2 ILE 10 13.185 4.351 13.004 90 HG22 ILE 10 2HG2 ILE 10 11.599 3.590 13.140 91 HG23 ILE 10 3HG2 ILE 10 11.742 5.202 12.445 92 HD11 ILE 10 3HD1 ILE 10 15.100 5.447 9.819 93 HD12 ILE 10 1HD1 ILE 10 15.160 3.778 10.385 94 HD13 ILE 10 2HD1 ILE 10 14.777 5.082 11.512 95 H GLU 11 H GLU 11 11.119 0.714 10.523 96 HA GLU 11 HA GLU 11 11.051 -1.010 12.820 97 HB2 GLU 11 2HB GLU 11 10.057 1.091 13.773 98 HB3 GLU 11 1HB GLU 11 8.808 1.056 12.534 99 HG2 GLU 11 2HG GLU 11 7.893 -1.020 13.459 100 HG3 GLU 11 1HG GLU 11 9.217 -1.103 14.626 101 H GLU 12 H GLU 12 9.557 -2.718 12.545 102 HA GLU 12 HA GLU 12 8.235 -2.967 9.890 103 HB2 GLU 12 2HB GLU 12 9.188 -5.090 11.868 104 HB3 GLU 12 1HB GLU 12 8.271 -5.455 10.408 105 HG2 GLU 12 2HG GLU 12 10.057 -4.694 8.986 106 HG3 GLU 12 1HG GLU 12 10.926 -3.999 10.352 107 H LEU 13 H LEU 13 6.019 -3.199 9.800 108 HA LEU 13 HA LEU 13 4.620 -2.811 12.402 109 HB2 LEU 13 2HB LEU 13 3.636 -2.009 9.641 110 HB3 LEU 13 1HB LEU 13 2.869 -1.632 11.175 111 HG LEU 13 HG LEU 13 5.508 -0.513 10.145 112 HD11 LEU 13 1HD1 LEU 13 4.311 1.648 10.168 113 HD12 LEU 13 2HD1 LEU 13 2.828 0.819 10.638 114 HD13 LEU 13 3HD1 LEU 13 3.570 0.484 9.074 115 HD21 LEU 13 3HD2 LEU 13 4.172 0.022 12.820 116 HD22 LEU 13 1HD2 LEU 13 5.574 0.880 12.173 117 HD23 LEU 13 2HD2 LEU 13 5.694 -0.832 12.562 118 H ILE 14 H ILE 14 3.931 -4.224 9.170 119 HA ILE 14 HA ILE 14 2.287 -6.367 10.384 120 HB ILE 14 HB ILE 14 1.257 -4.606 8.086 121 HG12 ILE 14 2HG1 ILE 14 0.323 -4.549 10.996 122 HG13 ILE 14 1HG1 ILE 14 1.243 -3.284 10.191 123 HG21 ILE 14 1HG2 ILE 14 0.425 -6.929 8.034 124 HG22 ILE 14 2HG2 ILE 14 -0.879 -5.803 8.405 125 HG23 ILE 14 3HG2 ILE 14 -0.161 -6.774 9.693 126 HD11 ILE 14 3HD1 ILE 14 -1.095 -2.705 10.352 127 HD12 ILE 14 1HD1 ILE 14 -1.549 -4.160 9.468 128 HD13 ILE 14 2HD1 ILE 14 -0.620 -2.889 8.665 129 H VAL 15 H VAL 15 3.108 -8.258 9.451 130 HA VAL 15 HA VAL 15 4.035 -8.265 6.668 131 HB VAL 15 HB VAL 15 3.691 -10.637 8.580 132 HG11 VAL 15 1HG1 VAL 15 5.157 -10.505 5.908 133 HG12 VAL 15 2HG1 VAL 15 3.633 -11.344 6.214 134 HG13 VAL 15 3HG1 VAL 15 5.113 -11.893 6.998 135 HG21 VAL 15 3HG2 VAL 15 6.142 -10.551 8.862 136 HG22 VAL 15 1HG2 VAL 15 5.373 -9.066 9.425 137 HG23 VAL 15 2HG2 VAL 15 6.212 -9.090 7.872 138 H LEU 16 H LEU 16 2.611 -8.442 5.055 139 HA LEU 16 HA LEU 16 -0.194 -9.095 5.562 140 HB2 LEU 16 2HB LEU 16 1.175 -8.220 2.982 141 HB3 LEU 16 1HB LEU 16 -0.561 -8.310 3.253 142 HG LEU 16 HG LEU 16 1.346 -6.401 4.661 143 HD11 LEU 16 1HD1 LEU 16 0.203 -4.620 3.405 144 HD12 LEU 16 2HD1 LEU 16 -0.735 -5.835 2.530 145 HD13 LEU 16 3HD1 LEU 16 1.017 -5.759 2.332 146 HD21 LEU 16 3HD2 LEU 16 -1.665 -6.630 4.883 147 HD22 LEU 16 1HD2 LEU 16 -0.662 -5.380 5.623 148 HD23 LEU 16 2HD2 LEU 16 -0.487 -7.056 6.128 149 H SER 17 H SER 17 2.645 -10.458 4.014 150 HA SER 17 HA SER 17 1.640 -13.056 3.648 151 HB2 SER 17 2HB SER 17 0.263 -11.968 1.868 152 HB3 SER 17 1HB SER 17 1.730 -11.397 1.083 153 HG SER 17 HG SER 17 0.724 -13.399 0.277 154 H GLU 18 H GLU 18 3.152 -14.420 2.592 155 HA GLU 18 HA GLU 18 5.920 -13.398 2.273 156 HB2 GLU 18 2HB GLU 18 5.772 -14.360 4.538 157 HB3 GLU 18 1HB GLU 18 5.067 -15.848 3.907 158 HG2 GLU 18 2HG GLU 18 7.151 -16.378 2.734 159 HG3 GLU 18 1HG GLU 18 7.863 -14.849 3.247 160 H ASN 19 H ASN 19 7.014 -14.324 0.549 161 HA ASN 19 HA ASN 19 5.226 -15.680 -1.366 162 HB2 ASN 19 2HB ASN 19 6.820 -13.740 -1.940 163 HB3 ASN 19 1HB ASN 19 8.138 -14.891 -1.839 164 HD21 ASN 19 1HD2 ASN 19 5.440 -13.789 -3.719 165 HD22 ASN 19 2HD2 ASN 19 5.826 -14.689 -5.138 166 H ALA 20 H ALA 20 6.006 -17.580 -2.679 167 HA ALA 20 HA ALA 20 7.032 -19.797 -1.237 168 HB1 ALA 20 3HB ALA 20 7.121 -20.932 -3.431 169 HB2 ALA 20 1HB ALA 20 6.946 -19.376 -4.252 170 HB3 ALA 20 2HB ALA 20 5.628 -20.008 -3.267 171 H LYS 21 H LYS 21 8.584 -17.174 -2.763 172 HA LYS 21 HA LYS 21 11.271 -18.407 -2.782 173 HB2 LYS 21 2HB LYS 21 10.492 -15.613 -3.706 174 HB3 LYS 21 1HB LYS 21 11.977 -16.473 -4.060 175 HG2 LYS 21 2HG LYS 21 9.245 -17.228 -5.148 176 HG3 LYS 21 1HG LYS 21 10.416 -16.218 -5.981 177 HD2 LYS 21 2HD LYS 21 10.749 -18.281 -6.995 178 HD3 LYS 21 1HD LYS 21 12.017 -18.271 -5.777 179 HE2 LYS 21 2HE LYS 21 10.620 -19.697 -4.328 180 HE3 LYS 21 1HE LYS 21 9.343 -19.684 -5.542 181 HZ1 LYS 21 3HZ LYS 21 12.072 -20.808 -5.933 182 HZ2 LYS 21 1HZ LYS 21 10.823 -20.818 -7.071 183 HZ3 LYS 21 2HZ LYS 21 10.671 -21.709 -5.644 184 H GLY 22 H GLY 22 9.173 -16.692 -0.848 185 HA2 GLY 22 2HA GLY 22 9.703 -16.312 1.448 186 HA3 GLY 22 1HA GLY 22 11.272 -15.680 0.961 187 H TRP 23 H TRP 23 9.880 -14.204 -1.350 188 HA TRP 23 HA TRP 23 10.299 -11.718 -0.245 189 HB2 TRP 23 2HB TRP 23 8.803 -12.548 -2.742 190 HB3 TRP 23 1HB TRP 23 8.909 -10.852 -2.294 191 HD1 TRP 23 HD1 TRP 23 11.471 -13.767 -2.785 192 HE1 TRP 23 HE1 TRP 23 13.504 -12.814 -4.033 193 HE3 TRP 23 HE3 TRP 23 9.998 -8.859 -3.187 194 HZ2 TRP 23 HZ2 TRP 23 14.384 -10.336 -5.063 195 HZ3 TRP 23 HZ3 TRP 23 11.494 -7.268 -4.338 196 HH2 TRP 23 HH2 TRP 23 13.655 -7.996 -5.252 197 H ARG 24 H ARG 24 9.206 -10.527 1.219 198 HA ARG 24 HA ARG 24 6.480 -11.375 1.931 199 HB2 ARG 24 2HB ARG 24 8.740 -10.111 3.524 200 HB3 ARG 24 1HB ARG 24 7.077 -10.061 4.102 201 HG2 ARG 24 2HG ARG 24 7.000 -12.529 4.074 202 HG3 ARG 24 1HG ARG 24 8.682 -12.573 3.543 203 HD2 ARG 24 2HD ARG 24 7.789 -11.265 6.137 204 HD3 ARG 24 1HD ARG 24 8.288 -12.951 6.020 205 HE ARG 24 HE ARG 24 10.481 -12.116 5.216 206 HH11 ARG 24 1HH1 ARG 24 8.503 -9.954 7.165 207 HH12 ARG 24 2HH1 ARG 24 9.861 -9.057 7.757 208 HH21 ARG 24 1HH2 ARG 24 12.248 -10.972 6.043 209 HH22 ARG 24 2HH2 ARG 24 11.988 -9.637 7.119 210 H LYS 25 H LYS 25 4.915 -10.049 1.226 211 HA LYS 25 HA LYS 25 5.499 -7.210 0.764 212 HB2 LYS 25 2HB LYS 25 3.188 -6.960 -0.003 213 HB3 LYS 25 1HB LYS 25 3.978 -8.280 -0.853 214 HG2 LYS 25 2HG LYS 25 2.741 -9.928 0.375 215 HG3 LYS 25 1HG LYS 25 2.122 -8.713 1.497 216 HD2 LYS 25 2HD LYS 25 0.420 -9.403 -0.155 217 HD3 LYS 25 1HD LYS 25 0.791 -7.686 -0.275 218 HE2 LYS 25 2HE LYS 25 2.160 -8.083 -2.247 219 HE3 LYS 25 1HE LYS 25 1.944 -9.829 -2.090 220 HZ1 LYS 25 3HZ LYS 25 0.489 -8.793 -3.766 221 HZ2 LYS 25 1HZ LYS 25 -0.267 -7.903 -2.548 222 HZ3 LYS 25 2HZ LYS 25 -0.379 -9.585 -2.553 223 H GLU 26 H GLU 26 5.455 -5.876 2.385 224 HA GLU 26 HA GLU 26 3.535 -6.217 4.579 225 HB2 GLU 26 2HB GLU 26 5.302 -6.099 6.283 226 HB3 GLU 26 1HB GLU 26 5.529 -7.487 5.232 227 HG2 GLU 26 2HG GLU 26 7.246 -6.053 3.962 228 HG3 GLU 26 1HG GLU 26 7.139 -4.932 5.318 229 H LEU 27 H LEU 27 3.524 -4.524 6.050 230 HA LEU 27 HA LEU 27 4.113 -1.849 5.011 231 HB2 LEU 27 2HB LEU 27 1.763 -2.345 5.643 232 HB3 LEU 27 1HB LEU 27 2.289 -2.847 7.241 233 HG LEU 27 HG LEU 27 3.072 -0.471 7.647 234 HD11 LEU 27 1HD1 LEU 27 2.170 1.340 6.243 235 HD12 LEU 27 2HD1 LEU 27 1.577 0.150 5.082 236 HD13 LEU 27 3HD1 LEU 27 3.310 0.328 5.357 237 HD21 LEU 27 3HD2 LEU 27 0.838 0.357 8.157 238 HD22 LEU 27 1HD2 LEU 27 0.972 -1.355 8.547 239 HD23 LEU 27 2HD2 LEU 27 0.119 -0.846 7.086 240 H ASN 28 H ASN 28 5.956 -1.075 5.776 241 HA ASN 28 HA ASN 28 6.736 -1.396 8.595 242 HB2 ASN 28 2HB ASN 28 9.040 -1.924 8.029 243 HB3 ASN 28 1HB ASN 28 8.008 -3.088 7.219 244 HD21 ASN 28 1HD2 ASN 28 7.318 -1.248 4.976 245 HD22 ASN 28 2HD2 ASN 28 8.749 -1.100 4.032 246 H ARG 29 H ARG 29 8.185 0.357 9.317 247 HA ARG 29 HA ARG 29 7.651 2.849 7.857 248 HB2 ARG 29 2HB ARG 29 8.667 2.413 10.710 249 HB3 ARG 29 1HB ARG 29 8.510 3.989 9.934 250 HG2 ARG 29 2HG ARG 29 6.028 3.420 9.607 251 HG3 ARG 29 1HG ARG 29 6.302 2.081 10.722 252 HD2 ARG 29 2HD ARG 29 5.402 3.967 11.942 253 HD3 ARG 29 1HD ARG 29 7.081 3.723 12.435 254 HE ARG 29 HE ARG 29 6.550 5.682 10.317 255 HH11 ARG 29 1HH1 ARG 29 7.314 5.181 13.720 256 HH12 ARG 29 2HH1 ARG 29 7.836 6.819 13.956 257 HH21 ARG 29 1HH2 ARG 29 7.213 7.836 10.666 258 HH22 ARG 29 2HH2 ARG 29 7.776 8.314 12.238 259 H VAL 30 H VAL 30 9.166 3.664 6.679 260 HA VAL 30 HA VAL 30 12.005 2.867 6.974 261 HB VAL 30 HB VAL 30 10.434 3.221 4.356 262 HG11 VAL 30 1HG1 VAL 30 13.388 2.548 4.683 263 HG12 VAL 30 2HG1 VAL 30 12.733 4.067 4.071 264 HG13 VAL 30 3HG1 VAL 30 12.495 2.579 3.157 265 HG21 VAL 30 3HG2 VAL 30 11.697 0.717 5.539 266 HG22 VAL 30 1HG2 VAL 30 10.907 0.826 3.961 267 HG23 VAL 30 2HG2 VAL 30 9.969 1.064 5.437 268 H SER 31 H SER 31 13.493 4.471 6.506 269 HA SER 31 HA SER 31 12.531 7.249 6.145 270 HB2 SER 31 2HB SER 31 13.763 6.922 8.280 271 HB3 SER 31 1HB SER 31 15.142 6.264 7.393 272 HG SER 31 HG SER 31 14.556 8.825 7.902 273 H TRP 32 H TRP 32 13.111 8.156 4.246 274 HA TRP 32 HA TRP 32 14.994 6.741 2.479 275 HB2 TRP 32 2HB TRP 32 12.818 8.783 1.846 276 HB3 TRP 32 1HB TRP 32 13.947 8.147 0.656 277 HD1 TRP 32 HD1 TRP 32 10.775 7.186 2.589 278 HE1 TRP 32 HE1 TRP 32 9.828 5.014 1.571 279 HE3 TRP 32 HE3 TRP 32 14.677 5.918 -0.494 280 HZ2 TRP 32 HZ2 TRP 32 10.631 3.003 -0.217 281 HZ3 TRP 32 HZ3 TRP 32 14.504 3.852 -1.824 282 HH2 TRP 32 HH2 TRP 32 12.521 2.422 -1.688 283 H ASN 33 H ASN 33 16.971 7.512 2.576 284 HA ASN 33 HA ASN 33 18.809 8.866 2.638 285 HB2 ASN 33 2HB ASN 33 16.750 10.864 1.598 286 HB3 ASN 33 1HB ASN 33 18.454 11.286 1.767 287 HD21 ASN 33 1HD2 ASN 33 16.454 10.780 -0.533 288 HD22 ASN 33 2HD2 ASN 33 17.405 9.859 -1.644 289 H ASP 34 H ASP 34 17.513 8.387 5.057 290 HA ASP 34 HA ASP 34 17.139 8.990 7.192 291 HB2 ASP 34 2HB ASP 34 19.676 9.153 6.891 292 HB3 ASP 34 1HB ASP 34 19.482 10.894 6.786 293 H ALA 35 H ALA 35 15.413 10.332 5.494 294 HA ALA 35 HA ALA 35 15.070 13.070 6.508 295 HB1 ALA 35 3HB ALA 35 13.145 13.138 4.946 296 HB2 ALA 35 1HB ALA 35 13.411 11.438 4.546 297 HB3 ALA 35 2HB ALA 35 14.627 12.644 4.126 298 H GLU 36 H GLU 36 12.399 13.330 6.885 299 HA GLU 36 HA GLU 36 11.616 12.290 9.310 300 HB2 GLU 36 2HB GLU 36 9.653 12.834 7.041 301 HB3 GLU 36 1HB GLU 36 9.298 12.876 8.764 302 HG2 GLU 36 2HG GLU 36 10.958 14.830 7.160 303 HG3 GLU 36 1HG GLU 36 9.428 15.133 7.980 304 HA PRO 37 HA PRO 37 11.050 7.840 8.300 305 HB2 PRO 37 2HB PRO 37 9.945 7.135 10.776 306 HB3 PRO 37 1HB PRO 37 11.685 7.225 10.446 307 HG2 PRO 37 2HG PRO 37 9.911 9.258 11.752 308 HG3 PRO 37 1HG PRO 37 11.560 8.748 12.192 309 HD2 PRO 37 2HD PRO 37 11.139 11.048 10.862 310 HD3 PRO 37 1HD PRO 37 12.556 10.037 10.511 311 H LYS 38 H LYS 38 9.322 6.936 7.272 312 HA LYS 38 HA LYS 38 6.596 7.891 7.809 313 HB2 LYS 38 2HB LYS 38 6.244 8.201 5.321 314 HB3 LYS 38 1HB LYS 38 7.341 9.376 6.042 315 HG2 LYS 38 2HG LYS 38 9.277 8.081 5.148 316 HG3 LYS 38 1HG LYS 38 8.149 6.946 4.407 317 HD2 LYS 38 2HD LYS 38 8.959 8.558 2.743 318 HD3 LYS 38 1HD LYS 38 7.227 8.763 3.006 319 HE2 LYS 38 2HE LYS 38 8.352 10.940 2.858 320 HE3 LYS 38 1HE LYS 38 7.671 10.703 4.466 321 HZ1 LYS 38 3HZ LYS 38 10.516 10.430 3.680 322 HZ2 LYS 38 1HZ LYS 38 9.911 10.021 5.200 323 HZ3 LYS 38 2HZ LYS 38 9.841 11.619 4.669 324 H TYR 39 H TYR 39 5.044 6.552 6.406 325 HA TYR 39 HA TYR 39 5.613 3.777 7.012 326 HB2 TYR 39 2HB TYR 39 3.111 5.041 5.802 327 HB3 TYR 39 1HB TYR 39 3.240 3.424 6.499 328 HD1 TYR 39 HD2 TYR 39 3.466 3.135 8.961 329 HD2 TYR 39 HD1 TYR 39 2.983 7.022 7.253 330 HE1 TYR 39 HE2 TYR 39 2.936 4.054 11.173 331 HE2 TYR 39 HE1 TYR 39 2.468 7.928 9.471 332 HH TYR 39 HH TYR 39 1.533 7.026 11.645 333 H ASP 40 H ASP 40 5.855 2.191 5.575 334 HA ASP 40 HA ASP 40 5.734 2.749 2.656 335 HB2 ASP 40 2HB ASP 40 8.084 2.892 3.327 336 HB3 ASP 40 1HB ASP 40 7.987 1.359 4.184 337 H ILE 41 H ILE 41 4.892 1.132 1.433 338 HA ILE 41 HA ILE 41 4.277 -1.463 2.659 339 HB ILE 41 HB ILE 41 2.213 -0.288 3.082 340 HG12 ILE 41 2HG1 ILE 41 1.835 -2.045 0.614 341 HG13 ILE 41 1HG1 ILE 41 2.000 -2.630 2.264 342 HG21 ILE 41 1HG2 ILE 41 2.437 1.610 1.549 343 HG22 ILE 41 2HG2 ILE 41 0.852 0.856 1.383 344 HG23 ILE 41 3HG2 ILE 41 2.102 0.557 0.174 345 HD11 ILE 41 3HD1 ILE 41 -0.116 -1.495 2.844 346 HD12 ILE 41 1HD1 ILE 41 -0.299 -2.701 1.571 347 HD13 ILE 41 2HD1 ILE 41 -0.278 -0.988 1.159 348 H ARG 42 H ARG 42 5.111 -2.855 1.416 349 HA ARG 42 HA ARG 42 5.047 -2.933 -1.449 350 HB2 ARG 42 2HB ARG 42 7.155 -2.190 -2.132 351 HB3 ARG 42 1HB ARG 42 6.753 -1.020 -0.890 352 HG2 ARG 42 2HG ARG 42 8.208 -2.345 0.704 353 HG3 ARG 42 1HG ARG 42 8.697 -3.337 -0.673 354 HD2 ARG 42 2HD ARG 42 9.295 -0.427 -0.122 355 HD3 ARG 42 1HD ARG 42 10.416 -1.731 -0.517 356 HE ARG 42 HE ARG 42 9.697 -1.599 -2.817 357 HH11 ARG 42 1HH1 ARG 42 8.578 1.081 -0.809 358 HH12 ARG 42 2HH1 ARG 42 8.288 2.122 -2.170 359 HH21 ARG 42 1HH2 ARG 42 9.237 -0.227 -4.581 360 HH22 ARG 42 2HH2 ARG 42 8.659 1.385 -4.289 361 H THR 43 H THR 43 6.886 -4.601 -2.292 362 HA THR 43 HA THR 43 6.834 -6.832 -0.393 363 HB THR 43 HB THR 43 7.368 -6.879 -3.410 364 HG1 THR 43 HG1 THR 43 5.042 -6.620 -2.038 365 HG21 THR 43 3HG2 THR 43 6.738 -9.109 -1.425 366 HG22 THR 43 1HG2 THR 43 8.298 -8.833 -2.204 367 HG23 THR 43 2HG2 THR 43 6.903 -9.315 -3.172 368 H TRP 44 H TRP 44 8.680 -7.318 0.530 369 HA TRP 44 HA TRP 44 11.292 -6.320 -0.450 370 HB2 TRP 44 2HB TRP 44 10.356 -7.084 2.364 371 HB3 TRP 44 1HB TRP 44 12.021 -6.701 1.956 372 HD1 TRP 44 HD1 TRP 44 8.635 -5.020 2.657 373 HE1 TRP 44 HE1 TRP 44 9.062 -2.495 3.019 374 HE3 TRP 44 HE3 TRP 44 13.556 -4.757 1.241 375 HZ2 TRP 44 HZ2 TRP 44 11.148 -0.657 2.746 376 HZ3 TRP 44 HZ3 TRP 44 14.690 -2.575 1.326 377 HH2 TRP 44 HH2 TRP 44 13.511 -0.562 2.064 378 H SER 45 H SER 45 13.076 -7.868 -0.055 379 HA SER 45 HA SER 45 12.466 -10.630 -0.589 380 HB2 SER 45 2HB SER 45 14.887 -11.022 -0.268 381 HB3 SER 45 1HB SER 45 14.611 -9.616 -1.276 382 HG SER 45 HG SER 45 16.138 -9.688 0.748 383 HA PRO 46 HA PRO 46 11.972 -12.403 3.584 384 HB2 PRO 46 2HB PRO 46 13.926 -14.426 3.648 385 HB3 PRO 46 1HB PRO 46 12.314 -14.591 2.930 386 HG2 PRO 46 2HG PRO 46 14.913 -13.944 1.574 387 HG3 PRO 46 1HG PRO 46 13.625 -15.064 1.068 388 HD2 PRO 46 2HD PRO 46 13.806 -12.666 -0.071 389 HD3 PRO 46 1HD PRO 46 12.207 -13.322 0.356 390 H ASP 47 H ASP 47 15.143 -11.329 2.545 391 HA ASP 47 HA ASP 47 16.082 -10.950 5.332 392 HB2 ASP 47 2HB ASP 47 17.662 -10.996 2.716 393 HB3 ASP 47 1HB ASP 47 18.356 -10.691 4.305 394 H HIS 48 H HIS 48 14.550 -9.212 2.973 395 HA HIS 48 HA HIS 48 14.051 -7.027 2.599 396 HB2 HIS 48 2HB HIS 48 15.372 -6.623 5.306 397 HB3 HIS 48 1HB HIS 48 14.569 -5.324 4.431 398 HD1 HIS 48 HD1 HIS 48 13.421 -5.723 7.050 399 HD2 HIS 48 HD2 HIS 48 12.222 -8.087 3.859 400 HE1 HIS 48 HE1 HIS 48 11.146 -6.576 7.654 401 HE2 HIS 48 HE2 HIS 48 10.424 -7.926 5.682 402 H GLU 49 H GLU 49 16.865 -8.134 1.950 403 HA GLU 49 HA GLU 49 18.508 -5.766 1.600 404 HB2 GLU 49 2HB GLU 49 19.996 -7.313 0.316 405 HB3 GLU 49 1HB GLU 49 19.623 -7.918 1.928 406 HG2 GLU 49 2HG GLU 49 18.179 -9.599 1.106 407 HG3 GLU 49 1HG GLU 49 18.011 -8.822 -0.467 408 H LYS 50 H LYS 50 15.931 -7.263 -0.057 409 HA LYS 50 HA LYS 50 16.412 -5.714 -2.537 410 HB2 LYS 50 2HB LYS 50 14.848 -8.312 -2.303 411 HB3 LYS 50 1HB LYS 50 15.242 -7.459 -3.775 412 HG2 LYS 50 2HG LYS 50 17.585 -8.399 -2.176 413 HG3 LYS 50 1HG LYS 50 16.570 -9.660 -2.869 414 HD2 LYS 50 2HD LYS 50 18.372 -9.185 -4.401 415 HD3 LYS 50 1HD LYS 50 16.854 -8.635 -5.108 416 HE2 LYS 50 2HE LYS 50 18.577 -7.008 -5.540 417 HE3 LYS 50 1HE LYS 50 17.414 -6.315 -4.422 418 HZ1 LYS 50 3HZ LYS 50 18.899 -6.693 -2.597 419 HZ2 LYS 50 1HZ LYS 50 19.747 -5.875 -3.804 420 HZ3 LYS 50 2HZ LYS 50 19.992 -7.529 -3.576 421 H MET 51 H MET 51 14.513 -4.889 -3.525 422 HA MET 51 HA MET 51 11.952 -4.913 -2.090 423 HB2 MET 51 2HB MET 51 11.747 -2.429 -2.275 424 HB3 MET 51 1HB MET 51 13.055 -2.904 -1.202 425 HG2 MET 51 2HG MET 51 14.699 -2.421 -2.972 426 HG3 MET 51 1HG MET 51 13.390 -1.975 -4.069 427 HE1 MET 51 3HE MET 51 15.917 -0.087 -3.439 428 HE2 MET 51 1HE MET 51 15.124 1.478 -3.260 429 HE3 MET 51 2HE MET 51 14.621 0.378 -4.544 430 H GLY 52 H GLY 52 10.204 -3.918 -3.507 431 HA2 GLY 52 2HA GLY 52 10.786 -3.639 -6.360 432 HA3 GLY 52 1HA GLY 52 9.865 -5.070 -5.913 433 H LYS 53 H LYS 53 7.838 -4.684 -6.603 434 HA LYS 53 HA LYS 53 6.627 -2.217 -7.070 435 HB2 LYS 53 2HB LYS 53 5.212 -4.844 -6.436 436 HB3 LYS 53 1HB LYS 53 4.490 -3.455 -7.244 437 HG2 LYS 53 2HG LYS 53 5.936 -3.773 -9.185 438 HG3 LYS 53 1HG LYS 53 6.794 -5.083 -8.366 439 HD2 LYS 53 2HD LYS 53 4.597 -6.350 -8.264 440 HD3 LYS 53 1HD LYS 53 3.883 -5.081 -9.264 441 HE2 LYS 53 2HE LYS 53 4.541 -7.044 -10.600 442 HE3 LYS 53 1HE LYS 53 5.448 -5.611 -11.083 443 HZ1 LYS 53 3HZ LYS 53 7.343 -6.395 -9.880 444 HZ2 LYS 53 1HZ LYS 53 6.814 -7.636 -10.897 445 HZ3 LYS 53 2HZ LYS 53 6.480 -7.701 -9.241 446 H GLY 54 H GLY 54 5.980 -0.661 -5.609 447 HA2 GLY 54 2HA GLY 54 4.069 -1.109 -3.660 448 HA3 GLY 54 1HA GLY 54 5.632 -1.085 -2.859 449 H ILE 55 H ILE 55 4.368 0.757 -1.886 450 HA ILE 55 HA ILE 55 4.993 3.295 -3.192 451 HB ILE 55 HB ILE 55 2.712 2.839 -3.968 452 HG12 ILE 55 2HG1 ILE 55 2.699 4.940 -1.752 453 HG13 ILE 55 1HG1 ILE 55 3.182 5.195 -3.424 454 HG21 ILE 55 1HG2 ILE 55 0.803 2.454 -2.467 455 HG22 ILE 55 2HG2 ILE 55 1.881 2.488 -1.070 456 HG23 ILE 55 3HG2 ILE 55 2.031 1.199 -2.266 457 HD11 ILE 55 3HD1 ILE 55 0.867 4.719 -4.133 458 HD12 ILE 55 1HD1 ILE 55 0.996 6.101 -3.047 459 HD13 ILE 55 2HD1 ILE 55 0.407 4.558 -2.436 460 H THR 56 H THR 56 5.243 4.936 -1.729 461 HA THR 56 HA THR 56 5.393 4.211 1.142 462 HB THR 56 HB THR 56 6.880 6.571 -0.091 463 HG1 THR 56 HG1 THR 56 7.738 3.833 0.086 464 HG21 THR 56 3HG2 THR 56 8.397 6.223 1.806 465 HG22 THR 56 1HG2 THR 56 7.436 4.839 2.338 466 HG23 THR 56 2HG2 THR 56 6.742 6.462 2.371 467 H LEU 57 H LEU 57 4.553 5.710 2.646 468 HA LEU 57 HA LEU 57 2.565 7.648 1.699 469 HB2 LEU 57 2HB LEU 57 2.189 5.570 3.909 470 HB3 LEU 57 1HB LEU 57 1.010 6.781 3.432 471 HG LEU 57 HG LEU 57 1.937 4.457 1.695 472 HD11 LEU 57 1HD1 LEU 57 -0.676 4.822 3.205 473 HD12 LEU 57 2HD1 LEU 57 0.605 3.668 3.593 474 HD13 LEU 57 3HD1 LEU 57 -0.299 3.504 2.090 475 HD21 LEU 57 3HD2 LEU 57 1.300 6.375 0.321 476 HD22 LEU 57 1HD2 LEU 57 -0.237 6.514 1.182 477 HD23 LEU 57 2HD2 LEU 57 0.097 5.095 0.183 478 H SER 58 H SER 58 2.289 9.375 3.070 479 HA SER 58 HA SER 58 4.263 9.879 5.171 480 HB2 SER 58 2HB SER 58 2.121 11.696 3.958 481 HB3 SER 58 1HB SER 58 3.427 12.209 5.032 482 HG SER 58 HG SER 58 3.473 12.085 2.419 483 H GLU 59 H GLU 59 3.353 10.924 7.231 484 HA GLU 59 HA GLU 59 1.600 9.175 8.543 485 HB2 GLU 59 2HB GLU 59 2.394 12.002 9.338 486 HB3 GLU 59 1HB GLU 59 1.603 10.834 10.393 487 HG2 GLU 59 2HG GLU 59 3.587 9.322 10.104 488 HG3 GLU 59 1HG GLU 59 4.379 10.622 9.211 489 H GLU 60 H GLU 60 1.000 12.280 6.983 490 HA GLU 60 HA GLU 60 -1.639 12.840 7.661 491 HB2 GLU 60 2HB GLU 60 -0.396 13.213 4.891 492 HB3 GLU 60 1HB GLU 60 -1.718 14.146 5.588 493 HG2 GLU 60 2HG GLU 60 -0.217 15.197 7.178 494 HG3 GLU 60 1HG GLU 60 1.112 14.150 6.669 495 H GLU 61 H GLU 61 -0.374 11.013 4.928 496 HA GLU 61 HA GLU 61 -2.856 10.510 3.636 497 HB2 GLU 61 2HB GLU 61 -0.172 9.105 3.193 498 HB3 GLU 61 1HB GLU 61 -1.480 9.295 2.022 499 HG2 GLU 61 2HG GLU 61 -1.121 11.713 1.966 500 HG3 GLU 61 1HG GLU 61 0.132 11.582 3.198 501 H PHE 62 H PHE 62 -0.584 8.478 5.414 502 HA PHE 62 HA PHE 62 -2.070 6.091 5.429 503 HB2 PHE 62 2HB PHE 62 0.373 6.225 5.814 504 HB3 PHE 62 1HB PHE 62 0.101 7.057 7.340 505 HD1 PHE 62 HD2 PHE 62 -0.426 3.835 5.544 506 HD2 PHE 62 HD1 PHE 62 -0.336 5.810 9.333 507 HE1 PHE 62 HE2 PHE 62 -0.511 1.666 6.689 508 HE2 PHE 62 HE1 PHE 62 -0.426 3.635 10.469 509 HZ PHE 62 HZ PHE 62 -0.505 1.568 9.147 510 H GLY 63 H GLY 63 -1.965 8.870 7.705 511 HA2 GLY 63 2HA GLY 63 -3.611 7.875 9.736 512 HA3 GLY 63 1HA GLY 63 -3.461 9.569 9.281 513 H VAL 64 H VAL 64 -4.477 9.624 6.743 514 HA VAL 64 HA VAL 64 -7.268 9.593 6.980 515 HB VAL 64 HB VAL 64 -5.536 9.513 4.469 516 HG11 VAL 64 1HG1 VAL 64 -7.488 10.327 3.204 517 HG12 VAL 64 2HG1 VAL 64 -8.496 10.176 4.646 518 HG13 VAL 64 3HG1 VAL 64 -7.798 8.736 3.904 519 HG21 VAL 64 3HG2 VAL 64 -5.163 11.508 5.878 520 HG22 VAL 64 1HG2 VAL 64 -6.889 11.878 5.827 521 HG23 VAL 64 2HG2 VAL 64 -5.923 11.945 4.349 522 H LEU 65 H LEU 65 -4.992 7.143 5.656 523 HA LEU 65 HA LEU 65 -6.831 5.275 4.664 524 HB2 LEU 65 2HB LEU 65 -4.306 5.272 4.344 525 HB3 LEU 65 1HB LEU 65 -4.153 4.654 5.975 526 HG LEU 65 HG LEU 65 -5.548 2.618 5.193 527 HD11 LEU 65 1HD1 LEU 65 -6.514 3.590 3.172 528 HD12 LEU 65 2HD1 LEU 65 -5.593 2.137 2.801 529 HD13 LEU 65 3HD1 LEU 65 -4.911 3.726 2.443 530 HD21 LEU 65 3HD2 LEU 65 -3.598 1.500 4.195 531 HD22 LEU 65 1HD2 LEU 65 -3.116 2.500 5.565 532 HD23 LEU 65 2HD2 LEU 65 -2.820 3.060 3.917 533 H LEU 66 H LEU 66 -5.313 5.481 7.936 534 HA LEU 66 HA LEU 66 -6.465 3.246 9.130 535 HB2 LEU 66 2HB LEU 66 -5.631 5.892 10.396 536 HB3 LEU 66 1HB LEU 66 -5.989 4.429 11.304 537 HG LEU 66 HG LEU 66 -3.700 4.783 9.338 538 HD11 LEU 66 1HD1 LEU 66 -3.346 5.995 11.440 539 HD12 LEU 66 2HD1 LEU 66 -2.238 4.635 11.290 540 HD13 LEU 66 3HD1 LEU 66 -3.640 4.515 12.359 541 HD21 LEU 66 3HD2 LEU 66 -4.431 2.367 11.018 542 HD22 LEU 66 1HD2 LEU 66 -2.954 2.555 10.068 543 HD23 LEU 66 2HD2 LEU 66 -4.515 2.492 9.258 544 H LYS 67 H LYS 67 -7.594 6.621 9.110 545 HA LYS 67 HA LYS 67 -9.859 6.439 10.759 546 HB2 LYS 67 2HB LYS 67 -9.305 8.213 8.345 547 HB3 LYS 67 1HB LYS 67 -10.670 8.453 9.431 548 HG2 LYS 67 2HG LYS 67 -9.292 9.132 11.222 549 HG3 LYS 67 1HG LYS 67 -7.833 8.468 10.472 550 HD2 LYS 67 2HD LYS 67 -8.048 11.018 10.369 551 HD3 LYS 67 1HD LYS 67 -7.763 10.219 8.822 552 HE2 LYS 67 2HE LYS 67 -10.159 10.392 8.277 553 HE3 LYS 67 1HE LYS 67 -10.474 11.164 9.832 554 HZ1 LYS 67 3HZ LYS 67 -10.345 12.837 8.182 555 HZ2 LYS 67 1HZ LYS 67 -8.884 12.244 7.571 556 HZ3 LYS 67 2HZ LYS 67 -8.935 12.956 9.096 557 H GLU 68 H GLU 68 -9.684 6.382 7.204 558 HA GLU 68 HA GLU 68 -12.457 6.002 6.834 559 HB2 GLU 68 2HB GLU 68 -10.199 5.556 4.848 560 HB3 GLU 68 1HB GLU 68 -11.904 5.704 4.446 561 HG2 GLU 68 2HG GLU 68 -10.148 7.859 5.639 562 HG3 GLU 68 1HG GLU 68 -10.696 7.774 3.969 563 H LEU 69 H LEU 69 -9.705 3.717 6.828 564 HA LEU 69 HA LEU 69 -11.156 1.375 6.161 565 HB2 LEU 69 2HB LEU 69 -8.614 1.705 7.814 566 HB3 LEU 69 1HB LEU 69 -9.292 0.133 7.415 567 HG LEU 69 HG LEU 69 -8.216 2.169 5.423 568 HD11 LEU 69 1HD1 LEU 69 -7.118 -0.537 6.243 569 HD12 LEU 69 2HD1 LEU 69 -6.444 1.037 6.671 570 HD13 LEU 69 3HD1 LEU 69 -6.457 0.517 4.989 571 HD21 LEU 69 3HD2 LEU 69 -10.098 0.960 4.446 572 HD22 LEU 69 1HD2 LEU 69 -9.356 -0.584 4.886 573 HD23 LEU 69 2HD2 LEU 69 -8.574 0.477 3.710 574 H GLY 70 H GLY 70 -10.476 2.965 9.265 575 HA2 GLY 70 2HA GLY 70 -11.633 1.173 11.070 576 HA3 GLY 70 1HA GLY 70 -11.562 2.916 11.287 577 H ASN 71 H ASN 71 -13.132 3.701 9.115 578 HA ASN 71 HA ASN 71 -15.849 3.284 10.025 579 HB2 ASN 71 2HB ASN 71 -14.756 4.594 7.495 580 HB3 ASN 71 1HB ASN 71 -16.481 4.490 7.837 581 HD21 ASN 71 1HD2 ASN 71 -13.478 6.015 8.729 582 HD22 ASN 71 2HD2 ASN 71 -14.171 7.239 9.728 583 H LYS 72 H LYS 72 -14.318 2.468 6.933 584 HA LYS 72 HA LYS 72 -16.061 0.715 5.812 585 HB2 LYS 72 2HB LYS 72 -13.027 0.593 5.618 586 HB3 LYS 72 1HB LYS 72 -14.133 -0.240 4.524 587 HG2 LYS 72 2HG LYS 72 -15.093 1.969 3.868 588 HG3 LYS 72 1HG LYS 72 -13.906 2.757 4.900 589 HD2 LYS 72 2HD LYS 72 -13.133 2.856 2.610 590 HD3 LYS 72 1HD LYS 72 -12.079 1.764 3.514 591 HE2 LYS 72 2HE LYS 72 -12.666 0.899 1.261 592 HE3 LYS 72 1HE LYS 72 -13.207 -0.175 2.549 593 HZ1 LYS 72 3HZ LYS 72 -14.852 0.204 0.757 594 HZ2 LYS 72 1HZ LYS 72 -14.949 1.822 1.211 595 HZ3 LYS 72 2HZ LYS 72 -15.433 0.612 2.288 596 H LEU 73 H LEU 73 -14.281 -0.078 8.678 597 HA LEU 73 HA LEU 73 -14.517 -2.952 8.415 598 HB2 LEU 73 2HB LEU 73 -13.890 -1.172 10.799 599 HB3 LEU 73 1HB LEU 73 -14.005 -2.921 10.930 600 HG LEU 73 HG LEU 73 -11.998 -1.438 9.187 601 HD11 LEU 73 1HD1 LEU 73 -11.543 -2.905 11.802 602 HD12 LEU 73 2HD1 LEU 73 -11.497 -1.155 11.573 603 HD13 LEU 73 3HD1 LEU 73 -10.296 -2.175 10.785 604 HD21 LEU 73 3HD2 LEU 73 -10.953 -3.643 8.852 605 HD22 LEU 73 1HD2 LEU 73 -12.597 -3.601 8.214 606 HD23 LEU 73 2HD2 LEU 73 -12.266 -4.407 9.749 607 H GLU 74 H GLU 74 -16.885 -0.742 8.662 608 HA GLU 74 HA GLU 74 -18.763 -2.282 10.294 609 HB2 GLU 74 2HB GLU 74 -19.174 0.149 8.481 610 HB3 GLU 74 1HB GLU 74 -20.424 -0.576 9.490 611 HG2 GLU 74 2HG GLU 74 -19.236 0.033 11.521 612 HG3 GLU 74 1HG GLU 74 -17.848 0.590 10.588 613 H HIS 75 H HIS 75 -17.676 -2.080 7.031 614 HA HIS 75 HA HIS 75 -19.672 -4.101 6.141 615 HB2 HIS 75 2HB HIS 75 -18.160 -2.064 4.435 616 HB3 HIS 75 1HB HIS 75 -19.219 -3.321 3.807 617 HD1 HIS 75 HD1 HIS 75 -19.245 0.038 5.438 618 HD2 HIS 75 HD2 HIS 75 -21.981 -2.773 4.059 619 HE1 HIS 75 HE1 HIS 75 -21.449 1.231 5.350 620 HE2 HIS 75 HE2 HIS 75 -23.110 -0.545 4.711 621 H HIS 76 H HIS 76 -18.448 -5.913 6.786 622 HA HIS 76 HA HIS 76 -15.697 -6.275 5.852 623 HB2 HIS 76 2HB HIS 76 -17.574 -8.107 7.416 624 HB3 HIS 76 1HB HIS 76 -15.929 -8.546 6.974 625 HD1 HIS 76 HD1 HIS 76 -14.173 -7.971 8.647 626 HD2 HIS 76 HD2 HIS 76 -17.666 -5.804 9.256 627 HE1 HIS 76 HE1 HIS 76 -13.815 -6.691 10.776 628 HE2 HIS 76 HE2 HIS 76 -15.979 -5.470 11.173 629 H HIS 77 H HIS 77 -15.072 -7.732 4.233 630 HA HIS 77 HA HIS 77 -17.053 -9.073 2.567 631 HB2 HIS 77 2HB HIS 77 -14.004 -9.050 2.594 632 HB3 HIS 77 1HB HIS 77 -14.903 -10.178 1.584 633 HD1 HIS 77 HD1 HIS 77 -14.397 -9.264 -0.687 634 HD2 HIS 77 HD2 HIS 77 -15.771 -6.323 1.908 635 HE1 HIS 77 HE1 HIS 77 -14.667 -7.203 -2.093 636 HE2 HIS 77 HE2 HIS 77 -15.466 -5.434 -0.497 637 H HIS 78 H HIS 78 -17.873 -11.085 3.063 638 HA HIS 78 HA HIS 78 -17.434 -12.137 5.639 639 HB2 HIS 78 2HB HIS 78 -18.977 -14.013 4.978 640 HB3 HIS 78 1HB HIS 78 -19.625 -12.407 4.691 641 HD1 HIS 78 HD1 HIS 78 -20.066 -11.727 2.241 642 HD2 HIS 78 HD2 HIS 78 -18.614 -15.597 2.685 643 HE1 HIS 78 HE1 HIS 78 -20.461 -12.858 0.031 644 HE2 HIS 78 HE2 HIS 78 -19.453 -15.143 0.285 645 H HIS 79 H HIS 79 -15.535 -12.847 6.114 646 HA HIS 79 HA HIS 79 -14.325 -15.123 4.665 647 HB2 HIS 79 2HB HIS 79 -13.050 -13.084 6.566 648 HB3 HIS 79 1HB HIS 79 -12.201 -14.432 5.816 649 HD1 HIS 79 HD1 HIS 79 -11.259 -11.526 5.379 650 HD2 HIS 79 HD2 HIS 79 -13.781 -13.551 2.767 651 HE1 HIS 79 HE1 HIS 79 -11.006 -10.369 3.163 652 HE2 HIS 79 HE2 HIS 79 -12.469 -11.670 1.587 653 H HIS 80 H HIS 80 -12.836 -15.268 7.552 654 HA HIS 80 HA HIS 80 -14.370 -16.247 9.499 655 HB2 HIS 80 2HB HIS 80 -14.498 -18.744 9.232 656 HB3 HIS 80 1HB HIS 80 -15.568 -17.852 8.163 657 HD1 HIS 80 HD1 HIS 80 -15.202 -18.120 5.645 658 HD2 HIS 80 HD2 HIS 80 -12.448 -20.231 7.937 659 HE1 HIS 80 HE1 HIS 80 -14.043 -19.676 4.053 660 HE2 HIS 80 HE2 HIS 80 -12.604 -21.118 5.516 661 H1 MET 1 1H MET 1 -3.148 -18.143 -22.321 662 H2 MET 1 2H MET 1 -3.110 -18.795 -23.878 663 H3 MET 1 3H MET 1 -4.313 -17.693 -23.451 664 HA MET 1 HA MET 1 -1.429 -17.083 -23.565 665 HB2 MET 1 2HB MET 1 -3.665 -16.309 -25.500 666 HB3 MET 1 1HB MET 1 -2.009 -15.714 -25.583 667 HG2 MET 1 2HG MET 1 -2.234 -17.425 -27.225 668 HG3 MET 1 1HG MET 1 -1.251 -18.086 -25.921 669 HE1 MET 1 3HE MET 1 -4.765 -18.103 -27.674 670 HE2 MET 1 1HE MET 1 -5.223 -17.645 -26.032 671 HE3 MET 1 2HE MET 1 -5.677 -19.226 -26.668 672 H ALA 2 H ALA 2 -0.940 -15.394 -22.263 673 HA ALA 2 HA ALA 2 -2.748 -13.109 -21.982 674 HB1 ALA 2 3HB ALA 2 -1.821 -14.662 -19.536 675 HB2 ALA 2 1HB ALA 2 -3.475 -14.601 -20.153 676 HB3 ALA 2 2HB ALA 2 -2.715 -13.139 -19.521 677 H ASP 3 H ASP 3 -0.756 -12.608 -23.381 678 HA ASP 3 HA ASP 3 1.591 -11.705 -21.912 679 HB2 ASP 3 2HB ASP 3 0.671 -11.123 -24.773 680 HB3 ASP 3 1HB ASP 3 2.186 -10.542 -24.088 681 H LYS 4 H LYS 4 -1.164 -10.195 -23.571 682 HA LYS 4 HA LYS 4 -0.773 -7.550 -22.562 683 HB2 LYS 4 2HB LYS 4 -2.059 -7.866 -24.598 684 HB3 LYS 4 1HB LYS 4 -3.172 -8.969 -23.803 685 HG2 LYS 4 2HG LYS 4 -4.246 -6.817 -24.202 686 HG3 LYS 4 1HG LYS 4 -4.087 -7.109 -22.472 687 HD2 LYS 4 2HD LYS 4 -3.579 -4.780 -22.944 688 HD3 LYS 4 1HD LYS 4 -2.106 -5.595 -22.424 689 HE2 LYS 4 2HE LYS 4 -1.388 -5.773 -24.800 690 HE3 LYS 4 1HE LYS 4 -2.854 -4.924 -25.296 691 HZ1 LYS 4 3HZ LYS 4 -0.755 -3.804 -23.512 692 HZ2 LYS 4 1HZ LYS 4 -2.124 -2.986 -24.070 693 HZ3 LYS 4 2HZ LYS 4 -0.917 -3.453 -25.158 694 H LEU 5 H LEU 5 -1.190 -6.833 -20.563 695 HA LEU 5 HA LEU 5 -2.859 -8.403 -18.730 696 HB2 LEU 5 2HB LEU 5 -1.135 -5.953 -18.184 697 HB3 LEU 5 1HB LEU 5 -2.100 -6.796 -16.979 698 HG LEU 5 HG LEU 5 0.366 -7.844 -18.414 699 HD11 LEU 5 1HD1 LEU 5 0.786 -6.323 -16.520 700 HD12 LEU 5 2HD1 LEU 5 1.327 -7.962 -16.175 701 HD13 LEU 5 3HD1 LEU 5 -0.177 -7.366 -15.466 702 HD21 LEU 5 3HD2 LEU 5 -1.232 -9.691 -18.270 703 HD22 LEU 5 1HD2 LEU 5 -1.478 -9.381 -16.548 704 HD23 LEU 5 2HD2 LEU 5 0.091 -9.935 -17.137 705 H LYS 6 H LYS 6 -4.763 -7.731 -18.077 706 HA LYS 6 HA LYS 6 -5.902 -5.197 -19.106 707 HB2 LYS 6 2HB LYS 6 -7.339 -7.772 -18.296 708 HB3 LYS 6 1HB LYS 6 -8.117 -6.317 -18.891 709 HG2 LYS 6 2HG LYS 6 -6.203 -8.033 -20.497 710 HG3 LYS 6 1HG LYS 6 -7.958 -8.145 -20.582 711 HD2 LYS 6 2HD LYS 6 -6.312 -5.692 -21.308 712 HD3 LYS 6 1HD LYS 6 -7.000 -6.839 -22.459 713 HE2 LYS 6 2HE LYS 6 -9.281 -6.246 -21.666 714 HE3 LYS 6 1HE LYS 6 -8.578 -5.075 -20.549 715 HZ1 LYS 6 3HZ LYS 6 -8.525 -4.988 -23.515 716 HZ2 LYS 6 1HZ LYS 6 -7.594 -3.964 -22.543 717 HZ3 LYS 6 2HZ LYS 6 -9.278 -3.902 -22.462 718 H PHE 7 H PHE 7 -6.875 -3.860 -17.507 719 HA PHE 7 HA PHE 7 -7.280 -4.909 -14.821 720 HB2 PHE 7 2HB PHE 7 -6.147 -2.971 -13.751 721 HB3 PHE 7 1HB PHE 7 -5.016 -3.969 -14.640 722 HD1 PHE 7 HD1 PHE 7 -4.146 -3.150 -16.898 723 HD2 PHE 7 HD2 PHE 7 -6.369 -0.625 -14.250 724 HE1 PHE 7 HE1 PHE 7 -3.295 -1.158 -18.069 725 HE2 PHE 7 HE2 PHE 7 -5.515 1.358 -15.432 726 HZ PHE 7 HZ PHE 7 -3.978 1.095 -17.339 727 H GLU 8 H GLU 8 -9.027 -3.964 -13.829 728 HA GLU 8 HA GLU 8 -10.185 -1.522 -15.016 729 HB2 GLU 8 2HB GLU 8 -11.436 -3.421 -16.022 730 HB3 GLU 8 1HB GLU 8 -11.773 -4.070 -14.418 731 HG2 GLU 8 2HG GLU 8 -13.110 -2.078 -13.865 732 HG3 GLU 8 1HG GLU 8 -12.729 -1.367 -15.434 733 H ILE 9 H ILE 9 -10.953 -0.145 -13.487 734 HA ILE 9 HA ILE 9 -10.500 -0.757 -10.694 735 HB ILE 9 HB ILE 9 -11.637 1.774 -11.997 736 HG12 ILE 9 2HG1 ILE 9 -8.833 1.203 -10.900 737 HG13 ILE 9 1HG1 ILE 9 -9.249 1.367 -12.601 738 HG21 ILE 9 1HG2 ILE 9 -12.413 1.515 -9.657 739 HG22 ILE 9 2HG2 ILE 9 -11.288 2.864 -9.807 740 HG23 ILE 9 3HG2 ILE 9 -10.739 1.335 -9.118 741 HD11 ILE 9 3HD1 ILE 9 -8.158 3.356 -11.778 742 HD12 ILE 9 1HD1 ILE 9 -9.374 3.549 -10.518 743 HD13 ILE 9 2HD1 ILE 9 -9.825 3.726 -12.216 744 H ILE 10 H ILE 10 -11.904 -2.044 -9.853 745 HA ILE 10 HA ILE 10 -14.635 -2.433 -10.724 746 HB ILE 10 HB ILE 10 -12.994 -3.621 -8.435 747 HG12 ILE 10 2HG1 ILE 10 -12.222 -4.347 -10.636 748 HG13 ILE 10 1HG1 ILE 10 -13.009 -5.694 -9.824 749 HG21 ILE 10 1HG2 ILE 10 -15.815 -4.424 -9.242 750 HG22 ILE 10 2HG2 ILE 10 -15.322 -3.672 -7.720 751 HG23 ILE 10 3HG2 ILE 10 -14.780 -5.302 -8.110 752 HD11 ILE 10 3HD1 ILE 10 -13.584 -5.652 -12.164 753 HD12 ILE 10 1HD1 ILE 10 -14.187 -4.001 -12.031 754 HD13 ILE 10 2HD1 ILE 10 -15.021 -5.318 -11.201 755 H GLU 11 H GLU 11 -12.889 -0.992 -7.982 756 HA GLU 11 HA GLU 11 -15.279 0.426 -7.057 757 HB2 GLU 11 2HB GLU 11 -15.469 -1.867 -6.093 758 HB3 GLU 11 1HB GLU 11 -13.879 -1.702 -5.359 759 HG2 GLU 11 2HG GLU 11 -14.687 0.016 -3.854 760 HG3 GLU 11 1HG GLU 11 -16.249 0.060 -4.678 761 H GLU 12 H GLU 12 -14.712 2.301 -5.992 762 HA GLU 12 HA GLU 12 -11.836 2.824 -5.443 763 HB2 GLU 12 2HB GLU 12 -14.126 4.749 -6.077 764 HB3 GLU 12 1HB GLU 12 -12.479 5.248 -5.690 765 HG2 GLU 12 2HG GLU 12 -11.625 4.131 -7.689 766 HG3 GLU 12 1HG GLU 12 -13.224 3.484 -8.039 767 H LEU 13 H LEU 13 -11.222 3.132 -3.353 768 HA LEU 13 HA LEU 13 -13.364 2.744 -1.318 769 HB2 LEU 13 2HB LEU 13 -10.395 2.084 -1.094 770 HB3 LEU 13 1HB LEU 13 -11.644 1.676 0.072 771 HG LEU 13 HG LEU 13 -11.404 0.535 -2.737 772 HD11 LEU 13 1HD1 LEU 13 -10.897 -0.752 -0.039 773 HD12 LEU 13 2HD1 LEU 13 -9.685 -0.334 -1.254 774 HD13 LEU 13 3HD1 LEU 13 -10.877 -1.582 -1.599 775 HD21 LEU 13 3HD2 LEU 13 -13.236 -0.982 -2.089 776 HD22 LEU 13 1HD2 LEU 13 -13.749 0.704 -2.106 777 HD23 LEU 13 2HD2 LEU 13 -13.426 -0.103 -0.570 778 H ILE 14 H ILE 14 -10.111 4.253 -1.499 779 HA ILE 14 HA ILE 14 -10.952 6.463 0.270 780 HB ILE 14 HB ILE 14 -8.384 4.859 0.801 781 HG12 ILE 14 2HG1 ILE 14 -10.966 4.740 2.438 782 HG13 ILE 14 1HG1 ILE 14 -10.377 3.459 1.387 783 HG21 ILE 14 1HG2 ILE 14 -8.286 7.233 1.484 784 HG22 ILE 14 2HG2 ILE 14 -8.268 6.173 2.891 785 HG23 ILE 14 3HG2 ILE 14 -9.748 7.029 2.455 786 HD11 ILE 14 3HD1 ILE 14 -8.994 4.475 3.865 787 HD12 ILE 14 1HD1 ILE 14 -8.409 3.189 2.805 788 HD13 ILE 14 2HD1 ILE 14 -9.910 2.979 3.705 789 H VAL 15 H VAL 15 -9.999 8.384 -0.355 790 HA VAL 15 HA VAL 15 -7.560 8.302 -2.059 791 HB VAL 15 HB VAL 15 -9.446 10.666 -1.563 792 HG11 VAL 15 1HG1 VAL 15 -7.046 10.460 -3.433 793 HG12 VAL 15 2HG1 VAL 15 -7.131 11.414 -1.949 794 HG13 VAL 15 3HG1 VAL 15 -8.157 11.830 -3.320 795 HG21 VAL 15 3HG2 VAL 15 -10.498 8.935 -2.969 796 HG22 VAL 15 1HG2 VAL 15 -9.114 8.957 -4.066 797 HG23 VAL 15 2HG2 VAL 15 -10.147 10.382 -3.911 798 H LEU 16 H LEU 16 -5.679 8.781 -1.101 799 HA LEU 16 HA LEU 16 -5.658 9.433 1.760 800 HB2 LEU 16 2HB LEU 16 -3.336 8.570 -0.021 801 HB3 LEU 16 1HB LEU 16 -3.332 8.664 1.734 802 HG LEU 16 HG LEU 16 -4.935 6.706 0.050 803 HD11 LEU 16 1HD1 LEU 16 -2.598 6.205 1.921 804 HD12 LEU 16 2HD1 LEU 16 -2.559 6.123 0.158 805 HD13 LEU 16 3HD1 LEU 16 -3.529 4.968 1.069 806 HD21 LEU 16 3HD2 LEU 16 -4.853 6.987 3.063 807 HD22 LEU 16 1HD2 LEU 16 -5.667 5.705 2.160 808 HD23 LEU 16 2HD2 LEU 16 -6.220 7.369 2.011 809 H SER 17 H SER 17 -4.759 10.849 -1.315 810 HA SER 17 HA SER 17 -4.322 13.451 -0.546 811 HB2 SER 17 2HB SER 17 -2.399 12.601 0.800 812 HB3 SER 17 1HB SER 17 -1.664 11.939 -0.657 813 HG SER 17 HG SER 17 -0.767 13.941 -0.137 814 H GLU 18 H GLU 18 -2.981 14.676 -2.235 815 HA GLU 18 HA GLU 18 -3.364 13.609 -4.971 816 HB2 GLU 18 2HB GLU 18 -5.372 14.894 -4.306 817 HB3 GLU 18 1HB GLU 18 -4.380 16.277 -3.858 818 HG2 GLU 18 2HG GLU 18 -3.705 16.559 -6.208 819 HG3 GLU 18 1HG GLU 18 -4.679 15.161 -6.662 820 H ASN 19 H ASN 19 -1.841 14.339 -6.493 821 HA ASN 19 HA ASN 19 0.564 15.677 -5.402 822 HB2 ASN 19 2HB ASN 19 0.768 13.696 -6.918 823 HB3 ASN 19 1HB ASN 19 0.064 14.629 -8.228 824 HD21 ASN 19 1HD2 ASN 19 1.861 14.391 -9.556 825 HD22 ASN 19 2HD2 ASN 19 3.389 15.131 -9.236 826 H ALA 20 H ALA 20 1.644 17.466 -6.704 827 HA ALA 20 HA ALA 20 0.184 19.735 -7.300 828 HB1 ALA 20 3HB ALA 20 2.194 20.528 -8.490 829 HB2 ALA 20 1HB ALA 20 2.822 18.876 -8.538 830 HB3 ALA 20 2HB ALA 20 2.630 19.702 -6.993 831 H LYS 21 H LYS 21 1.410 17.295 -9.670 832 HA LYS 21 HA LYS 21 -0.370 18.206 -11.758 833 HB2 LYS 21 2HB LYS 21 1.426 15.760 -11.595 834 HB3 LYS 21 1HB LYS 21 0.596 16.294 -13.049 835 HG2 LYS 21 2HG LYS 21 2.596 18.066 -11.616 836 HG3 LYS 21 1HG LYS 21 3.094 16.860 -12.795 837 HD2 LYS 21 2HD LYS 21 2.991 18.979 -13.932 838 HD3 LYS 21 1HD LYS 21 1.646 18.004 -14.509 839 HE2 LYS 21 2HE LYS 21 0.091 19.283 -13.121 840 HE3 LYS 21 1HE LYS 21 1.422 20.204 -12.426 841 HZ1 LYS 21 3HZ LYS 21 0.826 20.207 -15.331 842 HZ2 LYS 21 1HZ LYS 21 1.802 21.280 -14.470 843 HZ3 LYS 21 2HZ LYS 21 0.129 21.308 -14.262 844 H GLY 22 H GLY 22 -1.162 16.657 -9.055 845 HA2 GLY 22 2HA GLY 22 -3.459 16.314 -8.680 846 HA3 GLY 22 1HA GLY 22 -3.634 15.655 -10.302 847 H TRP 23 H TRP 23 -1.096 14.052 -9.891 848 HA TRP 23 HA TRP 23 -2.145 11.583 -9.675 849 HB2 TRP 23 2HB TRP 23 0.626 12.541 -8.944 850 HB3 TRP 23 1HB TRP 23 0.211 10.835 -8.886 851 HD1 TRP 23 HD1 TRP 23 -0.031 13.677 -11.573 852 HE1 TRP 23 HE1 TRP 23 0.682 12.660 -13.821 853 HE3 TRP 23 HE3 TRP 23 0.759 8.849 -10.060 854 HZ2 TRP 23 HZ2 TRP 23 1.492 10.132 -14.818 855 HZ3 TRP 23 HZ3 TRP 23 1.517 7.196 -11.713 856 HH2 TRP 23 HH2 TRP 23 1.875 7.826 -14.047 857 H ARG 24 H ARG 24 -3.298 10.558 -8.123 858 HA ARG 24 HA ARG 24 -3.091 11.514 -5.346 859 HB2 ARG 24 2HB ARG 24 -5.370 10.079 -6.770 860 HB3 ARG 24 1HB ARG 24 -5.353 10.490 -5.057 861 HG2 ARG 24 2HG ARG 24 -5.265 12.871 -5.604 862 HG3 ARG 24 1HG ARG 24 -5.225 12.498 -7.314 863 HD2 ARG 24 2HD ARG 24 -7.502 12.242 -5.359 864 HD3 ARG 24 1HD ARG 24 -7.477 13.035 -6.935 865 HE ARG 24 HE ARG 24 -7.099 10.342 -7.448 866 HH11 ARG 24 1HH1 ARG 24 -9.649 12.292 -5.956 867 HH12 ARG 24 2HH1 ARG 24 -10.908 11.180 -6.388 868 HH21 ARG 24 1HH2 ARG 24 -8.736 8.854 -7.882 869 HH22 ARG 24 2HH2 ARG 24 -10.388 9.215 -7.487 870 H LYS 25 H LYS 25 -2.336 10.196 -3.836 871 HA LYS 25 HA LYS 25 -1.840 7.358 -4.372 872 HB2 LYS 25 2HB LYS 25 -1.606 8.937 -1.755 873 HB3 LYS 25 1HB LYS 25 -1.053 7.281 -2.018 874 HG2 LYS 25 2HG LYS 25 0.571 8.121 -3.711 875 HG3 LYS 25 1HG LYS 25 0.050 9.773 -3.349 876 HD2 LYS 25 2HD LYS 25 0.721 9.398 -0.960 877 HD3 LYS 25 1HD LYS 25 1.362 7.821 -1.425 878 HE2 LYS 25 2HE LYS 25 2.994 8.893 -2.892 879 HE3 LYS 25 1HE LYS 25 2.313 10.484 -2.523 880 HZ1 LYS 25 3HZ LYS 25 4.260 10.090 -1.187 881 HZ2 LYS 25 1HZ LYS 25 3.623 8.643 -0.593 882 HZ3 LYS 25 2HZ LYS 25 2.903 10.115 -0.179 883 H GLU 26 H GLU 26 -3.641 6.182 -4.467 884 HA GLU 26 HA GLU 26 -5.727 6.535 -2.396 885 HB2 GLU 26 2HB GLU 26 -7.468 6.272 -4.186 886 HB3 GLU 26 1HB GLU 26 -6.537 7.758 -4.309 887 HG2 GLU 26 2HG GLU 26 -5.134 6.630 -6.085 888 HG3 GLU 26 1HG GLU 26 -6.270 5.283 -6.042 889 H LEU 27 H LEU 27 -6.978 4.816 -1.951 890 HA LEU 27 HA LEU 27 -6.019 2.137 -2.657 891 HB2 LEU 27 2HB LEU 27 -6.111 2.743 -0.242 892 HB3 LEU 27 1HB LEU 27 -7.816 3.128 -0.405 893 HG LEU 27 HG LEU 27 -8.223 0.691 -1.001 894 HD11 LEU 27 1HD1 LEU 27 -5.982 0.019 -1.691 895 HD12 LEU 27 2HD1 LEU 27 -6.539 -0.984 -0.356 896 HD13 LEU 27 3HD1 LEU 27 -5.364 0.300 -0.062 897 HD21 LEU 27 3HD2 LEU 27 -8.178 -0.061 1.316 898 HD22 LEU 27 1HD2 LEU 27 -8.712 1.614 1.210 899 HD23 LEU 27 2HD2 LEU 27 -7.069 1.244 1.742 900 H ASN 28 H ASN 28 -7.147 1.253 -4.233 901 HA ASN 28 HA ASN 28 -10.077 1.520 -4.394 902 HB2 ASN 28 2HB ASN 28 -9.980 1.530 -6.839 903 HB3 ASN 28 1HB ASN 28 -9.059 2.879 -6.202 904 HD21 ASN 28 1HD2 ASN 28 -6.593 1.474 -5.641 905 HD22 ASN 28 2HD2 ASN 28 -5.921 1.010 -7.155 906 H ARG 29 H ARG 29 -10.363 -0.402 -6.482 907 HA ARG 29 HA ARG 29 -9.224 -2.894 -5.485 908 HB2 ARG 29 2HB ARG 29 -11.627 -2.240 -4.345 909 HB3 ARG 29 1HB ARG 29 -12.246 -2.923 -5.839 910 HG2 ARG 29 2HG ARG 29 -11.176 -5.059 -5.368 911 HG3 ARG 29 1HG ARG 29 -10.364 -4.382 -3.953 912 HD2 ARG 29 2HD ARG 29 -12.192 -5.632 -3.089 913 HD3 ARG 29 1HD ARG 29 -12.700 -3.948 -2.989 914 HE ARG 29 HE ARG 29 -14.297 -4.327 -4.632 915 HH11 ARG 29 1HH1 ARG 29 -12.389 -7.253 -4.130 916 HH12 ARG 29 2HH1 ARG 29 -13.501 -8.268 -4.985 917 HH21 ARG 29 1HH2 ARG 29 -15.729 -5.692 -5.768 918 HH22 ARG 29 2HH2 ARG 29 -15.384 -7.389 -5.909 919 H VAL 30 H VAL 30 -8.685 -3.997 -7.260 920 HA VAL 30 HA VAL 30 -9.745 -3.178 -9.905 921 HB VAL 30 HB VAL 30 -6.824 -3.731 -9.136 922 HG11 VAL 30 1HG1 VAL 30 -7.933 -3.022 -11.884 923 HG12 VAL 30 2HG1 VAL 30 -7.242 -4.575 -11.406 924 HG13 VAL 30 3HG1 VAL 30 -6.220 -3.138 -11.459 925 HG21 VAL 30 3HG2 VAL 30 -7.580 -1.510 -8.407 926 HG22 VAL 30 1HG2 VAL 30 -8.133 -1.137 -10.043 927 HG23 VAL 30 2HG2 VAL 30 -6.410 -1.367 -9.719 928 H SER 31 H SER 31 -9.917 -4.784 -11.458 929 HA SER 31 HA SER 31 -9.427 -7.600 -10.676 930 HB2 SER 31 2HB SER 31 -11.001 -8.172 -12.553 931 HB3 SER 31 1HB SER 31 -11.785 -7.190 -11.315 932 HG SER 31 HG SER 31 -12.294 -6.380 -13.359 933 H TRP 32 H TRP 32 -7.741 -8.583 -11.724 934 HA TRP 32 HA TRP 32 -6.449 -7.188 -13.993 935 HB2 TRP 32 2HB TRP 32 -5.311 -9.188 -11.981 936 HB3 TRP 32 1HB TRP 32 -4.424 -8.558 -13.366 937 HD1 TRP 32 HD1 TRP 32 -5.549 -7.568 -9.834 938 HE1 TRP 32 HE1 TRP 32 -4.325 -5.394 -9.183 939 HE3 TRP 32 HE3 TRP 32 -3.520 -6.330 -14.383 940 HZ2 TRP 32 HZ2 TRP 32 -2.804 -3.385 -10.417 941 HZ3 TRP 32 HZ3 TRP 32 -2.197 -4.260 -14.556 942 HH2 TRP 32 HH2 TRP 32 -1.846 -2.817 -12.612 943 H ASN 33 H ASN 33 -6.956 -8.024 -15.884 944 HA ASN 33 HA ASN 33 -7.399 -9.423 -17.628 945 HB2 ASN 33 2HB ASN 33 -5.390 -10.910 -15.958 946 HB3 ASN 33 1HB ASN 33 -6.211 -11.880 -17.173 947 HD21 ASN 33 1HD2 ASN 33 -3.395 -11.024 -16.965 948 HD22 ASN 33 2HD2 ASN 33 -3.050 -10.262 -18.478 949 H ASP 34 H ASP 34 -9.480 -9.247 -15.786 950 HA ASP 34 HA ASP 34 -11.392 -10.139 -15.013 951 HB2 ASP 34 2HB ASP 34 -10.918 -11.882 -17.449 952 HB3 ASP 34 1HB ASP 34 -12.311 -12.180 -16.415 953 H ALA 35 H ALA 35 -9.013 -11.001 -13.688 954 HA ALA 35 HA ALA 35 -9.832 -13.598 -12.559 955 HB1 ALA 35 3HB ALA 35 -7.733 -13.430 -11.246 956 HB2 ALA 35 1HB ALA 35 -7.413 -11.850 -11.967 957 HB3 ALA 35 2HB ALA 35 -7.429 -13.292 -12.979 958 H GLU 36 H GLU 36 -9.623 -13.555 -10.076 959 HA GLU 36 HA GLU 36 -11.800 -12.281 -8.934 960 HB2 GLU 36 2HB GLU 36 -9.318 -13.258 -7.472 961 HB3 GLU 36 1HB GLU 36 -10.873 -12.941 -6.714 962 HG2 GLU 36 2HG GLU 36 -10.234 -15.105 -8.734 963 HG3 GLU 36 1HG GLU 36 -10.585 -15.323 -7.021 964 HA PRO 37 HA PRO 37 -10.275 -7.966 -8.619 965 HB2 PRO 37 2HB PRO 37 -12.502 -7.103 -7.086 966 HB3 PRO 37 1HB PRO 37 -12.373 -7.057 -8.852 967 HG2 PRO 37 2HG PRO 37 -13.717 -9.086 -7.121 968 HG3 PRO 37 1HG PRO 37 -14.206 -8.450 -8.710 969 HD2 PRO 37 2HD PRO 37 -13.097 -10.888 -8.486 970 HD3 PRO 37 1HD PRO 37 -12.737 -9.844 -9.876 971 H LYS 38 H LYS 38 -9.061 -7.011 -7.126 972 HA LYS 38 HA LYS 38 -9.043 -7.881 -4.351 973 HB2 LYS 38 2HB LYS 38 -6.530 -8.244 -4.529 974 HB3 LYS 38 1HB LYS 38 -7.515 -9.470 -5.310 975 HG2 LYS 38 2HG LYS 38 -7.028 -8.539 -7.510 976 HG3 LYS 38 1HG LYS 38 -6.156 -7.188 -6.778 977 HD2 LYS 38 2HD LYS 38 -4.601 -8.900 -7.660 978 HD3 LYS 38 1HD LYS 38 -4.438 -8.709 -5.916 979 HE2 LYS 38 2HE LYS 38 -4.364 -11.093 -6.650 980 HE3 LYS 38 1HE LYS 38 -5.673 -10.762 -5.517 981 HZ1 LYS 38 3HZ LYS 38 -6.376 -12.171 -7.352 982 HZ2 LYS 38 1HZ LYS 38 -5.963 -10.968 -8.466 983 HZ3 LYS 38 2HZ LYS 38 -7.217 -10.706 -7.364 984 H TYR 39 H TYR 39 -7.522 -6.467 -3.121 985 HA TYR 39 HA TYR 39 -8.361 -3.758 -3.707 986 HB2 TYR 39 2HB TYR 39 -6.655 -4.803 -1.403 987 HB3 TYR 39 1HB TYR 39 -7.465 -3.239 -1.478 988 HD1 TYR 39 HD1 TYR 39 -7.978 -6.883 -1.054 989 HD2 TYR 39 HD2 TYR 39 -9.886 -3.067 -1.090 990 HE1 TYR 39 HE1 TYR 39 -9.966 -7.865 -0.022 991 HE2 TYR 39 HE2 TYR 39 -11.882 -4.060 -0.057 992 HH TYR 39 HH TYR 39 -11.890 -7.111 1.364 993 H ASP 40 H ASP 40 -7.002 -2.028 -4.137 994 HA ASP 40 HA ASP 40 -4.142 -2.581 -4.726 995 HB2 ASP 40 2HB ASP 40 -5.502 -2.683 -6.823 996 HB3 ASP 40 1HB ASP 40 -6.059 -1.037 -6.532 997 H ILE 41 H ILE 41 -2.713 -0.945 -4.277 998 HA ILE 41 HA ILE 41 -3.741 1.666 -3.379 999 HB ILE 41 HB ILE 41 -3.515 0.463 -1.285 1000 HG12 ILE 41 2HG1 ILE 41 -1.102 2.302 -1.620 1001 HG13 ILE 41 1HG1 ILE 41 -2.750 2.841 -1.320 1002 HG21 ILE 41 1HG2 ILE 41 -2.055 -1.378 -1.948 1003 HG22 ILE 41 2HG2 ILE 41 -1.421 -0.594 -0.497 1004 HG23 ILE 41 3HG2 ILE 41 -0.682 -0.276 -2.071 1005 HD11 ILE 41 3HD1 ILE 41 -2.696 1.718 0.869 1006 HD12 ILE 41 1HD1 ILE 41 -1.434 2.937 0.693 1007 HD13 ILE 41 2HD1 ILE 41 -1.026 1.228 0.560 1008 H ARG 42 H ARG 42 -2.797 3.075 -4.567 1009 HA ARG 42 HA ARG 42 -0.009 2.957 -5.475 1010 HB2 ARG 42 2HB ARG 42 -1.042 1.292 -6.978 1011 HB3 ARG 42 1HB ARG 42 -2.287 2.440 -7.453 1012 HG2 ARG 42 2HG ARG 42 -0.672 3.797 -8.641 1013 HG3 ARG 42 1HG ARG 42 0.671 2.828 -8.036 1014 HD2 ARG 42 2HD ARG 42 -1.529 1.737 -9.825 1015 HD3 ARG 42 1HD ARG 42 0.009 2.369 -10.415 1016 HE ARG 42 HE ARG 42 1.145 0.575 -9.244 1017 HH11 ARG 42 1HH1 ARG 42 -2.320 0.159 -9.632 1018 HH12 ARG 42 2HH1 ARG 42 -2.257 -1.562 -9.449 1019 HH21 ARG 42 1HH2 ARG 42 1.221 -1.667 -8.971 1020 HH22 ARG 42 2HH2 ARG 42 -0.234 -2.609 -9.074 1021 H THR 43 H THR 43 0.527 4.853 -7.005 1022 HA THR 43 HA THR 43 -1.169 7.160 -6.426 1023 HB THR 43 HB THR 43 1.636 7.088 -7.672 1024 HG1 THR 43 HG1 THR 43 0.822 6.961 -5.004 1025 HG21 THR 43 3HG2 THR 43 1.709 9.464 -6.980 1026 HG22 THR 43 1HG2 THR 43 0.063 9.335 -6.342 1027 HG23 THR 43 2HG2 THR 43 0.357 9.168 -8.077 1028 H TRP 44 H TRP 44 -2.564 7.581 -8.029 1029 HA TRP 44 HA TRP 44 -2.106 6.592 -10.799 1030 HB2 TRP 44 2HB TRP 44 -4.720 7.024 -9.265 1031 HB3 TRP 44 1HB TRP 44 -4.642 6.676 -10.984 1032 HD1 TRP 44 HD1 TRP 44 -4.273 4.946 -7.556 1033 HE1 TRP 44 HE1 TRP 44 -4.507 2.404 -7.918 1034 HE3 TRP 44 HE3 TRP 44 -4.173 4.823 -12.677 1035 HZ2 TRP 44 HZ2 TRP 44 -4.557 0.584 -10.068 1036 HZ3 TRP 44 HZ3 TRP 44 -4.324 2.640 -13.808 1037 HH2 TRP 44 HH2 TRP 44 -4.511 0.562 -12.531 1038 H SER 45 H SER 45 -2.942 8.040 -12.457 1039 HA SER 45 HA SER 45 -2.439 10.834 -11.953 1040 HB2 SER 45 2HB SER 45 -3.083 11.174 -14.321 1041 HB3 SER 45 1HB SER 45 -1.975 9.818 -14.163 1042 HG SER 45 HG SER 45 -4.149 9.742 -15.438 1043 HA PRO 46 HA PRO 46 -6.575 12.309 -10.824 1044 HB2 PRO 46 2HB PRO 46 -6.971 14.524 -12.480 1045 HB3 PRO 46 1HB PRO 46 -5.988 14.540 -11.003 1046 HG2 PRO 46 2HG PRO 46 -5.085 14.235 -13.850 1047 HG3 PRO 46 1HG PRO 46 -4.389 15.228 -12.545 1048 HD2 PRO 46 2HD PRO 46 -3.272 12.882 -13.203 1049 HD3 PRO 46 1HD PRO 46 -3.374 13.388 -11.500 1050 H ASP 47 H ASP 47 -5.886 11.499 -14.127 1051 HA ASP 47 HA ASP 47 -8.725 11.217 -14.892 1052 HB2 ASP 47 2HB ASP 47 -6.230 10.843 -16.624 1053 HB3 ASP 47 1HB ASP 47 -7.893 11.012 -17.179 1054 H HIS 48 H HIS 48 -6.277 9.382 -13.515 1055 HA HIS 48 HA HIS 48 -5.807 7.198 -13.120 1056 HB2 HIS 48 2HB HIS 48 -8.695 6.783 -13.980 1057 HB3 HIS 48 1HB HIS 48 -7.697 5.520 -13.264 1058 HD1 HIS 48 HD1 HIS 48 -10.353 6.633 -12.001 1059 HD2 HIS 48 HD2 HIS 48 -6.516 7.745 -10.891 1060 HE1 HIS 48 HE1 HIS 48 -10.535 7.398 -9.620 1061 HE2 HIS 48 HE2 HIS 48 -8.164 7.770 -8.927 1062 H GLU 49 H GLU 49 -5.632 8.327 -15.983 1063 HA GLU 49 HA GLU 49 -5.647 6.028 -17.741 1064 HB2 GLU 49 2HB GLU 49 -4.621 7.594 -19.380 1065 HB3 GLU 49 1HB GLU 49 -6.051 8.302 -18.633 1066 HG2 GLU 49 2HG GLU 49 -4.669 9.669 -17.161 1067 HG3 GLU 49 1HG GLU 49 -3.205 8.895 -17.759 1068 H LYS 50 H LYS 50 -3.456 7.499 -15.528 1069 HA LYS 50 HA LYS 50 -1.140 5.950 -16.515 1070 HB2 LYS 50 2HB LYS 50 -1.226 8.739 -15.303 1071 HB3 LYS 50 1HB LYS 50 0.254 7.829 -15.477 1072 HG2 LYS 50 2HG LYS 50 -1.431 8.465 -17.900 1073 HG3 LYS 50 1HG LYS 50 -0.359 9.678 -17.207 1074 HD2 LYS 50 2HD LYS 50 0.882 8.648 -18.956 1075 HD3 LYS 50 1HD LYS 50 1.540 7.998 -17.457 1076 HE2 LYS 50 2HE LYS 50 0.176 5.951 -17.784 1077 HE3 LYS 50 1HE LYS 50 -0.411 6.601 -19.317 1078 HZ1 LYS 50 3HZ LYS 50 1.903 6.653 -20.089 1079 HZ2 LYS 50 1HZ LYS 50 1.395 5.088 -19.703 1080 HZ3 LYS 50 2HZ LYS 50 2.403 5.932 -18.649 1081 H MET 51 H MET 51 0.272 5.195 -14.930 1082 HA MET 51 HA MET 51 -0.540 5.167 -12.116 1083 HB2 MET 51 2HB MET 51 -0.341 2.679 -12.042 1084 HB3 MET 51 1HB MET 51 -1.690 3.215 -13.022 1085 HG2 MET 51 2HG MET 51 -0.388 2.755 -15.066 1086 HG3 MET 51 1HG MET 51 0.973 2.218 -14.074 1087 HE1 MET 51 3HE MET 51 -0.589 0.502 -16.443 1088 HE2 MET 51 1HE MET 51 -0.557 -1.097 -15.698 1089 HE3 MET 51 2HE MET 51 0.869 -0.064 -15.623 1090 H GLY 52 H GLY 52 1.190 4.093 -10.768 1091 HA2 GLY 52 2HA GLY 52 3.864 3.853 -11.911 1092 HA3 GLY 52 1HA GLY 52 3.612 5.262 -10.883 1093 H LYS 53 H LYS 53 4.738 4.786 -9.073 1094 HA LYS 53 HA LYS 53 5.250 2.331 -7.890 1095 HB2 LYS 53 2HB LYS 53 5.003 5.063 -6.576 1096 HB3 LYS 53 1HB LYS 53 5.708 3.652 -5.790 1097 HG2 LYS 53 2HG LYS 53 7.574 3.616 -7.277 1098 HG3 LYS 53 1HG LYS 53 6.812 4.745 -8.396 1099 HD2 LYS 53 2HD LYS 53 7.758 5.416 -5.578 1100 HD3 LYS 53 1HD LYS 53 8.598 5.832 -7.074 1101 HE2 LYS 53 2HE LYS 53 6.730 7.272 -7.756 1102 HE3 LYS 53 1HE LYS 53 5.818 6.810 -6.317 1103 HZ1 LYS 53 3HZ LYS 53 8.339 8.372 -6.413 1104 HZ2 LYS 53 1HZ LYS 53 7.643 7.804 -4.981 1105 HZ3 LYS 53 2HZ LYS 53 6.816 8.922 -5.940 1106 H GLY 54 H GLY 54 3.801 0.845 -7.166 1107 HA2 GLY 54 2HA GLY 54 2.087 1.355 -4.994 1108 HA3 GLY 54 1HA GLY 54 1.144 1.222 -6.477 1109 H ILE 55 H ILE 55 0.553 -0.587 -4.748 1110 HA ILE 55 HA ILE 55 1.697 -3.098 -5.699 1111 HB ILE 55 HB ILE 55 3.069 -2.651 -3.716 1112 HG12 ILE 55 2HG1 ILE 55 0.996 -4.816 -3.125 1113 HG13 ILE 55 1HG1 ILE 55 2.436 -5.013 -4.113 1114 HG21 ILE 55 1HG2 ILE 55 2.156 -2.359 -1.453 1115 HG22 ILE 55 2HG2 ILE 55 0.514 -2.413 -2.095 1116 HG23 ILE 55 3HG2 ILE 55 1.586 -1.083 -2.533 1117 HD11 ILE 55 3HD1 ILE 55 2.739 -6.005 -1.940 1118 HD12 ILE 55 1HD1 ILE 55 2.373 -4.473 -1.146 1119 HD13 ILE 55 2HD1 ILE 55 3.833 -4.636 -2.129 1120 H THR 56 H THR 56 0.284 -4.792 -5.534 1121 HA THR 56 HA THR 56 -2.546 -4.108 -4.999 1122 HB THR 56 HB THR 56 -1.651 -6.511 -6.648 1123 HG1 THR 56 HG1 THR 56 -1.940 -3.788 -7.459 1124 HG21 THR 56 3HG2 THR 56 -4.167 -4.804 -6.746 1125 HG22 THR 56 1HG2 THR 56 -4.038 -6.355 -5.907 1126 HG23 THR 56 2HG2 THR 56 -3.858 -6.282 -7.660 1127 H LEU 57 H LEU 57 -3.770 -5.559 -3.756 1128 HA LEU 57 HA LEU 57 -2.377 -7.467 -2.007 1129 HB2 LEU 57 2HB LEU 57 -4.409 -5.355 -1.118 1130 HB3 LEU 57 1HB LEU 57 -3.613 -6.524 -0.079 1131 HG LEU 57 HG LEU 57 -2.251 -4.195 -1.488 1132 HD11 LEU 57 1HD1 LEU 57 -2.949 -4.549 1.448 1133 HD12 LEU 57 2HD1 LEU 57 -3.702 -3.414 0.322 1134 HD13 LEU 57 3HD1 LEU 57 -2.008 -3.220 0.763 1135 HD21 LEU 57 3HD2 LEU 57 -0.704 -6.056 -1.259 1136 HD22 LEU 57 1HD2 LEU 57 -1.106 -6.221 0.454 1137 HD23 LEU 57 2HD2 LEU 57 -0.272 -4.776 -0.128 1138 H SER 58 H SER 58 -3.645 -9.253 -1.545 1139 HA SER 58 HA SER 58 -6.191 -9.611 -2.957 1140 HB2 SER 58 2HB SER 58 -4.570 -11.606 -1.304 1141 HB3 SER 58 1HB SER 58 -5.925 -11.988 -2.369 1142 HG SER 58 HG SER 58 -3.605 -12.198 -3.140 1143 H GLU 59 H GLU 59 -7.962 -10.840 -1.603 1144 HA GLU 59 HA GLU 59 -8.800 -9.130 0.457 1145 HB2 GLU 59 2HB GLU 59 -9.799 -11.904 -0.289 1146 HB3 GLU 59 1HB GLU 59 -10.594 -10.854 0.880 1147 HG2 GLU 59 2HG GLU 59 -10.801 -9.120 -0.965 1148 HG3 GLU 59 1HG GLU 59 -10.233 -10.354 -2.084 1149 H GLU 60 H GLU 60 -7.158 -12.263 0.629 1150 HA GLU 60 HA GLU 60 -7.129 -12.764 3.368 1151 HB2 GLU 60 2HB GLU 60 -4.863 -13.223 1.368 1152 HB3 GLU 60 1HB GLU 60 -5.028 -14.026 2.927 1153 HG2 GLU 60 2HG GLU 60 -7.036 -15.177 2.173 1154 HG3 GLU 60 1HG GLU 60 -7.003 -14.296 0.644 1155 H GLU 61 H GLU 61 -4.830 -10.899 1.428 1156 HA GLU 61 HA GLU 61 -2.950 -10.442 3.540 1157 HB2 GLU 61 2HB GLU 61 -3.102 -9.154 0.772 1158 HB3 GLU 61 1HB GLU 61 -1.671 -9.275 1.801 1159 HG2 GLU 61 2HG GLU 61 -1.595 -11.671 1.550 1160 HG3 GLU 61 1HG GLU 61 -3.155 -11.688 0.728 1161 H PHE 62 H PHE 62 -5.159 -8.353 1.707 1162 HA PHE 62 HA PHE 62 -4.778 -5.984 3.187 1163 HB2 PHE 62 2HB PHE 62 -5.785 -6.043 0.922 1164 HB3 PHE 62 1HB PHE 62 -7.196 -6.883 1.555 1165 HD1 PHE 62 HD2 PHE 62 -5.314 -3.666 1.662 1166 HD2 PHE 62 HD1 PHE 62 -8.998 -5.644 2.550 1167 HE1 PHE 62 HE2 PHE 62 -6.387 -1.498 2.088 1168 HE2 PHE 62 HE1 PHE 62 -10.060 -3.470 2.976 1169 HZ PHE 62 HZ PHE 62 -8.757 -1.400 2.737 1170 H GLY 63 H GLY 63 -7.034 -8.778 3.614 1171 HA2 GLY 63 2HA GLY 63 -8.492 -7.890 5.803 1172 HA3 GLY 63 1HA GLY 63 -8.003 -9.559 5.524 1173 H VAL 64 H VAL 64 -5.288 -9.507 5.776 1174 HA VAL 64 HA VAL 64 -4.742 -9.469 8.523 1175 HB VAL 64 HB VAL 64 -2.719 -9.209 6.246 1176 HG11 VAL 64 1HG1 VAL 64 -1.071 -10.163 7.818 1177 HG12 VAL 64 2HG1 VAL 64 -2.276 -10.139 9.108 1178 HG13 VAL 64 3HG1 VAL 64 -1.709 -8.624 8.402 1179 HG21 VAL 64 3HG2 VAL 64 -4.142 -11.204 5.973 1180 HG22 VAL 64 1HG2 VAL 64 -3.728 -11.740 7.602 1181 HG23 VAL 64 2HG2 VAL 64 -2.482 -11.656 6.350 1182 H LEU 65 H LEU 65 -4.185 -6.982 5.997 1183 HA LEU 65 HA LEU 65 -2.785 -5.078 7.499 1184 HB2 LEU 65 2HB LEU 65 -3.136 -5.081 4.987 1185 HB3 LEU 65 1HB LEU 65 -4.776 -4.528 5.262 1186 HG LEU 65 HG LEU 65 -3.771 -2.450 6.394 1187 HD11 LEU 65 1HD1 LEU 65 -1.536 -3.322 6.871 1188 HD12 LEU 65 2HD1 LEU 65 -1.453 -1.868 5.884 1189 HD13 LEU 65 3HD1 LEU 65 -1.194 -3.449 5.142 1190 HD21 LEU 65 3HD2 LEU 65 -3.300 -1.316 4.268 1191 HD22 LEU 65 1HD2 LEU 65 -4.697 -2.382 4.116 1192 HD23 LEU 65 2HD2 LEU 65 -3.137 -2.873 3.451 1193 H LEU 66 H LEU 66 -6.343 -5.342 6.890 1194 HA LEU 66 HA LEU 66 -7.262 -3.161 8.342 1195 HB2 LEU 66 2HB LEU 66 -8.570 -5.870 7.835 1196 HB3 LEU 66 1HB LEU 66 -9.429 -4.485 8.493 1197 HG LEU 66 HG LEU 66 -8.169 -4.624 5.729 1198 HD11 LEU 66 1HD1 LEU 66 -10.176 -6.025 5.918 1199 HD12 LEU 66 2HD1 LEU 66 -10.460 -4.636 4.874 1200 HD13 LEU 66 3HD1 LEU 66 -11.100 -4.645 6.521 1201 HD21 LEU 66 3HD2 LEU 66 -9.780 -2.391 7.007 1202 HD22 LEU 66 1HD2 LEU 66 -9.272 -2.460 5.317 1203 HD23 LEU 66 2HD2 LEU 66 -8.064 -2.348 6.592 1204 H LYS 67 H LYS 67 -6.814 -6.519 9.391 1205 HA LYS 67 HA LYS 67 -7.799 -6.382 12.010 1206 HB2 LYS 67 2HB LYS 67 -5.656 -8.152 10.768 1207 HB3 LYS 67 1HB LYS 67 -6.304 -8.416 12.383 1208 HG2 LYS 67 2HG LYS 67 -8.412 -9.083 11.584 1209 HG3 LYS 67 1HG LYS 67 -8.175 -8.308 10.015 1210 HD2 LYS 67 2HD LYS 67 -8.056 -10.844 9.976 1211 HD3 LYS 67 1HD LYS 67 -6.658 -10.021 9.285 1212 HE2 LYS 67 2HE LYS 67 -5.392 -10.412 11.359 1213 HE3 LYS 67 1HE LYS 67 -6.792 -11.213 12.077 1214 HZ1 LYS 67 3HZ LYS 67 -5.227 -12.136 9.723 1215 HZ2 LYS 67 1HZ LYS 67 -6.648 -12.870 10.274 1216 HZ3 LYS 67 2HZ LYS 67 -5.275 -12.844 11.254 1217 H GLU 68 H GLU 68 -4.403 -6.253 10.920 1218 HA GLU 68 HA GLU 68 -3.364 -5.774 13.524 1219 HB2 GLU 68 2HB GLU 68 -2.083 -5.561 10.781 1220 HB3 GLU 68 1HB GLU 68 -1.195 -5.411 12.292 1221 HG2 GLU 68 2HG GLU 68 -2.719 -7.873 11.395 1222 HG3 GLU 68 1HG GLU 68 -0.977 -7.646 11.267 1223 H LEU 69 H LEU 69 -4.312 -3.588 10.887 1224 HA LEU 69 HA LEU 69 -3.161 -1.215 11.986 1225 HB2 LEU 69 2HB LEU 69 -5.520 -1.583 10.092 1226 HB3 LEU 69 1HB LEU 69 -4.958 0.001 10.604 1227 HG LEU 69 HG LEU 69 -3.378 -2.015 8.956 1228 HD11 LEU 69 1HD1 LEU 69 -4.494 0.704 8.200 1229 HD12 LEU 69 2HD1 LEU 69 -5.121 -0.861 7.677 1230 HD13 LEU 69 3HD1 LEU 69 -3.516 -0.346 7.168 1231 HD21 LEU 69 3HD2 LEU 69 -1.634 -0.323 8.794 1232 HD22 LEU 69 1HD2 LEU 69 -1.874 -0.819 10.466 1233 HD23 LEU 69 2HD2 LEU 69 -2.515 0.727 9.907 1234 H GLY 70 H GLY 70 -6.368 -2.741 12.264 1235 HA2 GLY 70 2HA GLY 70 -7.648 -0.868 13.933 1236 HA3 GLY 70 1HA GLY 70 -8.044 -2.575 13.823 1237 H ASN 71 H ASN 71 -5.563 -3.591 14.661 1238 HA ASN 71 HA ASN 71 -5.660 -3.452 17.515 1239 HB2 ASN 71 2HB ASN 71 -3.415 -4.496 15.724 1240 HB3 ASN 71 1HB ASN 71 -3.530 -4.770 17.461 1241 HD21 ASN 71 1HD2 ASN 71 -3.447 -6.673 15.246 1242 HD22 ASN 71 2HD2 ASN 71 -4.866 -7.646 15.395 1243 H LYS 72 H LYS 72 -2.987 -2.484 15.372 1244 HA LYS 72 HA LYS 72 -1.557 -0.775 16.936 1245 HB2 LYS 72 2HB LYS 72 -1.994 -0.548 13.940 1246 HB3 LYS 72 1HB LYS 72 -0.766 0.365 14.816 1247 HG2 LYS 72 2HG LYS 72 0.294 -1.767 15.529 1248 HG3 LYS 72 1HG LYS 72 -0.920 -2.657 14.607 1249 HD2 LYS 72 2HD LYS 72 1.120 -2.508 13.287 1250 HD3 LYS 72 1HD LYS 72 -0.136 -1.527 12.522 1251 HE2 LYS 72 2HE LYS 72 2.031 -0.357 12.516 1252 HE3 LYS 72 1HE LYS 72 0.859 0.512 13.511 1253 HZ1 LYS 72 3HZ LYS 72 3.038 0.343 14.565 1254 HZ2 LYS 72 1HZ LYS 72 2.944 -1.340 14.540 1255 HZ3 LYS 72 2HZ LYS 72 1.863 -0.449 15.482 1256 H LEU 73 H LEU 73 -4.742 0.033 15.828 1257 HA LEU 73 HA LEU 73 -4.511 2.878 16.130 1258 HB2 LEU 73 2HB LEU 73 -6.920 1.032 16.136 1259 HB3 LEU 73 1HB LEU 73 -7.070 2.770 16.345 1260 HG LEU 73 HG LEU 73 -5.942 1.382 13.879 1261 HD11 LEU 73 1HD1 LEU 73 -8.555 2.877 14.215 1262 HD12 LEU 73 2HD1 LEU 73 -8.375 1.128 14.052 1263 HD13 LEU 73 3HD1 LEU 73 -7.937 2.187 12.711 1264 HD21 LEU 73 3HD2 LEU 73 -5.887 3.624 12.848 1265 HD22 LEU 73 1HD2 LEU 73 -4.802 3.513 14.233 1266 HD23 LEU 73 2HD2 LEU 73 -6.351 4.345 14.390 1267 H GLU 74 H GLU 74 -4.157 0.534 18.426 1268 HA GLU 74 HA GLU 74 -5.139 1.760 20.795 1269 HB2 GLU 74 2HB GLU 74 -3.474 0.374 21.965 1270 HB3 GLU 74 1HB GLU 74 -4.273 -0.576 20.714 1271 HG2 GLU 74 2HG GLU 74 -2.334 -0.253 19.223 1272 HG3 GLU 74 1HG GLU 74 -1.531 0.701 20.465 1273 H HIS 75 H HIS 75 -2.646 2.526 18.617 1274 HA HIS 75 HA HIS 75 -1.909 4.921 20.117 1275 HB2 HIS 75 2HB HIS 75 -0.128 3.270 20.705 1276 HB3 HIS 75 1HB HIS 75 0.239 3.061 18.994 1277 HD1 HIS 75 HD1 HIS 75 0.419 5.648 21.743 1278 HD2 HIS 75 HD2 HIS 75 1.922 5.001 17.920 1279 HE1 HIS 75 HE1 HIS 75 2.095 7.477 21.354 1280 HE2 HIS 75 HE2 HIS 75 2.985 7.072 19.035 1281 H HIS 76 H HIS 76 -3.013 6.126 18.606 1282 HA HIS 76 HA HIS 76 -2.187 6.204 15.820 1283 HB2 HIS 76 2HB HIS 76 -3.661 8.143 15.613 1284 HB3 HIS 76 1HB HIS 76 -4.498 6.927 16.572 1285 HD1 HIS 76 HD1 HIS 76 -2.860 10.289 16.854 1286 HD2 HIS 76 HD2 HIS 76 -5.104 7.725 19.214 1287 HE1 HIS 76 HE1 HIS 76 -3.461 11.610 18.893 1288 HE2 HIS 76 HE2 HIS 76 -4.643 9.976 20.387 1289 H HIS 77 H HIS 77 -0.858 7.896 14.903 1290 HA HIS 77 HA HIS 77 1.197 8.998 16.630 1291 HB2 HIS 77 2HB HIS 77 0.711 9.066 13.636 1292 HB3 HIS 77 1HB HIS 77 1.911 10.135 14.359 1293 HD1 HIS 77 HD1 HIS 77 4.055 9.110 13.682 1294 HD2 HIS 77 HD2 HIS 77 1.432 6.274 15.210 1295 HE1 HIS 77 HE1 HIS 77 5.373 6.981 13.816 1296 HE2 HIS 77 HE2 HIS 77 3.704 5.250 14.550 1297 H HIS 78 H HIS 78 1.787 11.388 16.388 1298 HA HIS 78 HA HIS 78 -0.263 12.679 17.886 1299 HB2 HIS 78 2HB HIS 78 2.274 12.813 18.238 1300 HB3 HIS 78 1HB HIS 78 2.329 13.943 16.893 1301 HD1 HIS 78 HD1 HIS 78 1.608 13.702 20.498 1302 HD2 HIS 78 HD2 HIS 78 1.105 16.511 17.480 1303 HE1 HIS 78 HE1 HIS 78 1.103 15.859 21.668 1304 HE2 HIS 78 HE2 HIS 78 0.672 17.506 19.822 1305 H HIS 79 H HIS 79 -1.938 12.775 16.328 1306 HA HIS 79 HA HIS 79 -2.163 15.344 14.951 1307 HB2 HIS 79 2HB HIS 79 -2.711 12.677 13.541 1308 HB3 HIS 79 1HB HIS 79 -3.272 14.231 12.940 1309 HD1 HIS 79 HD1 HIS 79 -0.709 11.901 12.306 1310 HD2 HIS 79 HD2 HIS 79 -0.804 16.046 12.620 1311 HE1 HIS 79 HE1 HIS 79 1.351 12.720 11.131 1312 HE2 HIS 79 HE2 HIS 79 1.352 15.200 11.485 1313 H HIS 80 H HIS 80 -3.429 15.802 16.697 1314 HA HIS 80 HA HIS 80 -5.371 16.226 17.845 1315 HB2 HIS 80 2HB HIS 80 -6.599 14.282 15.861 1316 HB3 HIS 80 1HB HIS 80 -7.512 14.788 17.273 1317 HD1 HIS 80 HD1 HIS 80 -9.235 16.215 16.245 1318 HD2 HIS 80 HD2 HIS 80 -5.431 17.186 14.901 1319 HE1 HIS 80 HE1 HIS 80 -9.524 18.287 14.874 1320 HE2 HIS 80 HE2 HIS 80 -7.194 18.941 14.218 Start of MODEL 4 1 H1 MET 1 1H MET 1 19.484 17.127 -5.524 2 H2 MET 1 2H MET 1 19.178 16.108 -4.207 3 H3 MET 1 3H MET 1 18.163 16.071 -5.553 4 HA MET 1 HA MET 1 19.836 15.172 -6.926 5 HB2 MET 1 2HB MET 1 21.771 16.358 -5.930 6 HB3 MET 1 1HB MET 1 21.650 15.372 -4.481 7 HG2 MET 1 2HG MET 1 22.220 13.368 -5.808 8 HG3 MET 1 1HG MET 1 22.347 14.365 -7.256 9 HE1 MET 1 3HE MET 1 23.827 17.013 -6.218 10 HE2 MET 1 1HE MET 1 24.301 16.151 -7.683 11 HE3 MET 1 2HE MET 1 25.513 16.563 -6.471 12 H ALA 2 H ALA 2 18.343 13.555 -6.920 13 HA ALA 2 HA ALA 2 18.582 11.413 -4.880 14 HB1 ALA 2 3HB ALA 2 16.306 12.020 -6.824 15 HB2 ALA 2 1HB ALA 2 16.307 12.375 -5.094 16 HB3 ALA 2 2HB ALA 2 16.330 10.702 -5.649 17 H ASP 3 H ASP 3 20.676 11.473 -6.484 18 HA ASP 3 HA ASP 3 20.494 10.085 -8.974 19 HB2 ASP 3 2HB ASP 3 22.446 11.435 -8.637 20 HB3 ASP 3 1HB ASP 3 22.777 10.727 -7.067 21 H LYS 4 H LYS 4 22.280 8.863 -6.124 22 HA LYS 4 HA LYS 4 20.839 6.303 -6.280 23 HB2 LYS 4 2HB LYS 4 22.637 5.403 -4.857 24 HB3 LYS 4 1HB LYS 4 23.320 6.166 -6.286 25 HG2 LYS 4 2HG LYS 4 23.999 8.095 -5.015 26 HG3 LYS 4 1HG LYS 4 23.171 7.519 -3.578 27 HD2 LYS 4 2HD LYS 4 25.559 6.154 -4.880 28 HD3 LYS 4 1HD LYS 4 25.631 7.188 -3.455 29 HE2 LYS 4 2HE LYS 4 24.086 5.570 -2.287 30 HE3 LYS 4 1HE LYS 4 24.237 4.502 -3.685 31 HZ1 LYS 4 3HZ LYS 4 26.647 4.452 -3.287 32 HZ2 LYS 4 1HZ LYS 4 25.769 3.853 -1.974 33 HZ3 LYS 4 2HZ LYS 4 26.437 5.401 -1.907 34 H LEU 5 H LEU 5 19.534 5.680 -4.652 35 HA LEU 5 HA LEU 5 18.963 7.588 -2.487 36 HB2 LEU 5 2HB LEU 5 17.405 5.108 -3.311 37 HB3 LEU 5 1HB LEU 5 16.922 6.266 -2.074 38 HG LEU 5 HG LEU 5 17.092 6.761 -5.071 39 HD11 LEU 5 1HD1 LEU 5 15.079 5.547 -4.369 40 HD12 LEU 5 2HD1 LEU 5 14.677 7.170 -4.925 41 HD13 LEU 5 3HD1 LEU 5 14.705 6.815 -3.195 42 HD21 LEU 5 3HD2 LEU 5 16.285 9.061 -4.630 43 HD22 LEU 5 1HD2 LEU 5 17.890 8.782 -3.955 44 HD23 LEU 5 2HD2 LEU 5 16.479 8.796 -2.896 45 H LYS 6 H LYS 6 18.835 6.982 -0.363 46 HA LYS 6 HA LYS 6 20.137 4.461 0.486 47 HB2 LYS 6 2HB LYS 6 19.900 7.075 2.049 48 HB3 LYS 6 1HB LYS 6 20.705 5.618 2.606 49 HG2 LYS 6 2HG LYS 6 21.573 7.363 0.289 50 HG3 LYS 6 1HG LYS 6 22.322 7.317 1.881 51 HD2 LYS 6 2HD LYS 6 22.239 5.016 -0.107 52 HD3 LYS 6 1HD LYS 6 23.626 6.058 0.206 53 HE2 LYS 6 2HE LYS 6 23.792 5.230 2.495 54 HE3 LYS 6 1HE LYS 6 22.326 4.268 2.285 55 HZ1 LYS 6 3HZ LYS 6 24.896 3.896 0.844 56 HZ2 LYS 6 1HZ LYS 6 23.481 3.013 0.549 57 HZ3 LYS 6 2HZ LYS 6 24.258 2.891 2.046 58 H PHE 7 H PHE 7 18.945 3.238 2.037 59 HA PHE 7 HA PHE 7 16.468 4.259 3.154 60 HB2 PHE 7 2HB PHE 7 15.113 2.372 2.245 61 HB3 PHE 7 1HB PHE 7 15.725 3.380 0.943 62 HD1 PHE 7 HD1 PHE 7 17.700 2.550 -0.451 63 HD2 PHE 7 HD2 PHE 7 15.671 0.026 2.350 64 HE1 PHE 7 HE1 PHE 7 18.700 0.561 -1.507 65 HE2 PHE 7 HE2 PHE 7 16.674 -1.947 1.289 66 HZ PHE 7 HZ PHE 7 18.189 -1.687 -0.635 67 H GLU 8 H GLU 8 15.871 3.101 4.994 68 HA GLU 8 HA GLU 8 16.804 0.399 5.391 69 HB2 GLU 8 2HB GLU 8 18.774 1.621 6.289 70 HB3 GLU 8 1HB GLU 8 17.737 2.490 7.414 71 HG2 GLU 8 2HG GLU 8 17.295 0.534 8.697 72 HG3 GLU 8 1HG GLU 8 17.900 -0.538 7.437 73 H ILE 9 H ILE 9 15.638 -0.670 6.963 74 HA ILE 9 HA ILE 9 12.946 0.442 7.297 75 HB ILE 9 HB ILE 9 13.979 -2.390 7.787 76 HG12 ILE 9 2HG1 ILE 9 12.247 -1.118 5.621 77 HG13 ILE 9 1HG1 ILE 9 13.813 -1.879 5.408 78 HG21 ILE 9 1HG2 ILE 9 12.172 -1.900 9.408 79 HG22 ILE 9 2HG2 ILE 9 11.613 -3.044 8.190 80 HG23 ILE 9 3HG2 ILE 9 11.131 -1.350 8.092 81 HD11 ILE 9 3HD1 ILE 9 12.107 -3.277 4.523 82 HD12 ILE 9 1HD1 ILE 9 11.201 -3.234 6.035 83 HD13 ILE 9 2HD1 ILE 9 12.763 -4.050 5.962 84 H ILE 10 H ILE 10 12.451 1.480 9.025 85 HA ILE 10 HA ILE 10 14.180 1.609 11.375 86 HB ILE 10 HB ILE 10 11.677 3.204 10.641 87 HG12 ILE 10 2HG1 ILE 10 13.503 3.639 9.057 88 HG13 ILE 10 1HG1 ILE 10 13.247 5.051 10.071 89 HG21 ILE 10 1HG2 ILE 10 11.980 3.218 13.073 90 HG22 ILE 10 2HG2 ILE 10 12.360 4.807 12.415 91 HG23 ILE 10 3HG2 ILE 10 13.664 3.719 12.895 92 HD11 ILE 10 3HD1 ILE 10 15.613 4.677 9.713 93 HD12 ILE 10 1HD1 ILE 10 15.485 3.036 10.346 94 HD13 ILE 10 2HD1 ILE 10 15.227 4.416 11.413 95 H GLU 11 H GLU 11 10.987 0.461 10.335 96 HA GLU 11 HA GLU 11 10.744 -1.179 12.721 97 HB2 GLU 11 2HB GLU 11 9.802 1.085 13.409 98 HB3 GLU 11 1HB GLU 11 8.553 0.885 12.186 99 HG2 GLU 11 2HG GLU 11 7.709 -1.117 13.364 100 HG3 GLU 11 1HG GLU 11 8.982 -0.951 14.576 101 H GLU 12 H GLU 12 9.370 -2.921 12.394 102 HA GLU 12 HA GLU 12 8.117 -3.284 9.730 103 HB2 GLU 12 2HB GLU 12 8.690 -5.260 11.988 104 HB3 GLU 12 1HB GLU 12 7.873 -5.690 10.489 105 HG2 GLU 12 2HG GLU 12 9.841 -5.391 9.192 106 HG3 GLU 12 1HG GLU 12 10.647 -4.492 10.471 107 H LEU 13 H LEU 13 5.895 -3.091 9.543 108 HA LEU 13 HA LEU 13 4.410 -2.507 12.038 109 HB2 LEU 13 2HB LEU 13 3.681 -2.003 9.123 110 HB3 LEU 13 1HB LEU 13 2.670 -1.569 10.490 111 HG LEU 13 HG LEU 13 5.423 -0.406 9.919 112 HD11 LEU 13 1HD1 LEU 13 2.673 0.816 9.552 113 HD12 LEU 13 2HD1 LEU 13 3.798 0.346 8.276 114 HD13 LEU 13 3HD1 LEU 13 4.210 1.667 9.364 115 HD21 LEU 13 3HD2 LEU 13 4.914 1.201 11.715 116 HD22 LEU 13 1HD2 LEU 13 4.963 -0.454 12.323 117 HD23 LEU 13 2HD2 LEU 13 3.411 0.344 12.066 118 H ILE 14 H ILE 14 3.832 -4.207 8.971 119 HA ILE 14 HA ILE 14 2.337 -6.391 10.275 120 HB ILE 14 HB ILE 14 1.234 -4.909 7.816 121 HG12 ILE 14 2HG1 ILE 14 0.232 -4.601 10.686 122 HG13 ILE 14 1HG1 ILE 14 1.091 -3.368 9.772 123 HG21 ILE 14 1HG2 ILE 14 0.556 -7.274 8.013 124 HG22 ILE 14 2HG2 ILE 14 -0.827 -6.209 8.254 125 HG23 ILE 14 3HG2 ILE 14 -0.057 -6.976 9.642 126 HD11 ILE 14 3HD1 ILE 14 -1.288 -2.937 9.864 127 HD12 ILE 14 1HD1 ILE 14 -1.627 -4.484 9.093 128 HD13 ILE 14 2HD1 ILE 14 -0.767 -3.221 8.206 129 H VAL 15 H VAL 15 2.847 -8.357 9.221 130 HA VAL 15 HA VAL 15 3.862 -8.260 6.432 131 HB VAL 15 HB VAL 15 3.742 -10.682 8.304 132 HG11 VAL 15 1HG1 VAL 15 5.089 -10.377 5.585 133 HG12 VAL 15 2HG1 VAL 15 3.642 -11.330 5.927 134 HG13 VAL 15 3HG1 VAL 15 5.189 -11.795 6.632 135 HG21 VAL 15 3HG2 VAL 15 6.202 -10.444 8.516 136 HG22 VAL 15 1HG2 VAL 15 5.359 -9.027 9.147 137 HG23 VAL 15 2HG2 VAL 15 6.146 -8.955 7.569 138 H LEU 16 H LEU 16 2.427 -8.583 4.851 139 HA LEU 16 HA LEU 16 -0.361 -9.269 5.479 140 HB2 LEU 16 2HB LEU 16 0.880 -8.215 2.903 141 HB3 LEU 16 1HB LEU 16 -0.840 -8.321 3.255 142 HG LEU 16 HG LEU 16 1.107 -6.574 4.810 143 HD11 LEU 16 1HD1 LEU 16 0.911 -5.730 2.519 144 HD12 LEU 16 2HD1 LEU 16 0.149 -4.639 3.673 145 HD13 LEU 16 3HD1 LEU 16 -0.848 -5.696 2.668 146 HD21 LEU 16 3HD2 LEU 16 -1.916 -6.674 4.865 147 HD22 LEU 16 1HD2 LEU 16 -0.897 -5.555 5.772 148 HD23 LEU 16 2HD2 LEU 16 -0.830 -7.281 6.117 149 H SER 17 H SER 17 2.422 -10.533 3.834 150 HA SER 17 HA SER 17 1.324 -13.103 3.360 151 HB2 SER 17 2HB SER 17 0.296 -11.749 1.434 152 HB3 SER 17 1HB SER 17 1.933 -11.519 0.816 153 HG SER 17 HG SER 17 0.301 -13.738 0.771 154 H GLU 18 H GLU 18 2.956 -14.552 2.552 155 HA GLU 18 HA GLU 18 5.763 -13.583 2.502 156 HB2 GLU 18 2HB GLU 18 5.320 -14.350 4.792 157 HB3 GLU 18 1HB GLU 18 4.677 -15.876 4.201 158 HG2 GLU 18 2HG GLU 18 6.921 -16.458 3.312 159 HG3 GLU 18 1HG GLU 18 7.558 -14.944 3.948 160 H ASN 19 H ASN 19 7.089 -14.704 1.087 161 HA ASN 19 HA ASN 19 5.662 -16.392 -0.890 162 HB2 ASN 19 2HB ASN 19 6.874 -14.361 -1.646 163 HB3 ASN 19 1HB ASN 19 8.375 -15.008 -1.007 164 HD21 ASN 19 1HD2 ASN 19 9.398 -14.887 -2.966 165 HD22 ASN 19 2HD2 ASN 19 9.032 -15.911 -4.304 166 H ALA 20 H ALA 20 6.852 -18.237 -1.877 167 HA ALA 20 HA ALA 20 7.808 -20.234 -0.220 168 HB1 ALA 20 3HB ALA 20 7.013 -20.586 -2.527 169 HB2 ALA 20 1HB ALA 20 8.583 -21.346 -2.274 170 HB3 ALA 20 2HB ALA 20 8.470 -19.819 -3.157 171 H LYS 21 H LYS 21 9.780 -18.002 -2.231 172 HA LYS 21 HA LYS 21 12.254 -18.753 -0.931 173 HB2 LYS 21 2HB LYS 21 11.615 -16.469 -2.837 174 HB3 LYS 21 1HB LYS 21 13.235 -16.895 -2.298 175 HG2 LYS 21 2HG LYS 21 11.390 -18.675 -3.921 176 HG3 LYS 21 1HG LYS 21 12.783 -17.782 -4.532 177 HD2 LYS 21 2HD LYS 21 14.278 -19.108 -3.064 178 HD3 LYS 21 1HD LYS 21 12.881 -20.006 -2.462 179 HE2 LYS 21 2HE LYS 21 14.032 -21.327 -4.138 180 HE3 LYS 21 1HE LYS 21 12.459 -20.838 -4.768 181 HZ1 LYS 21 3HZ LYS 21 14.152 -20.594 -6.439 182 HZ2 LYS 21 1HZ LYS 21 15.084 -19.607 -5.430 183 HZ3 LYS 21 2HZ LYS 21 13.590 -19.060 -6.003 184 H GLY 22 H GLY 22 9.723 -16.909 0.099 185 HA2 GLY 22 2HA GLY 22 9.778 -16.333 2.424 186 HA3 GLY 22 1HA GLY 22 11.364 -15.614 2.183 187 H TRP 23 H TRP 23 10.442 -14.449 -0.447 188 HA TRP 23 HA TRP 23 10.388 -11.855 0.160 189 HB2 TRP 23 2HB TRP 23 9.000 -13.238 -2.150 190 HB3 TRP 23 1HB TRP 23 8.974 -11.488 -2.014 191 HD1 TRP 23 HD1 TRP 23 11.573 -14.359 -2.414 192 HE1 TRP 23 HE1 TRP 23 13.574 -13.412 -3.713 193 HE3 TRP 23 HE3 TRP 23 10.102 -9.450 -2.736 194 HZ2 TRP 23 HZ2 TRP 23 14.412 -10.921 -4.771 195 HZ3 TRP 23 HZ3 TRP 23 11.554 -7.853 -3.928 196 HH2 TRP 23 HH2 TRP 23 13.672 -8.578 -4.923 197 H ARG 24 H ARG 24 9.191 -10.739 1.621 198 HA ARG 24 HA ARG 24 6.476 -11.700 2.234 199 HB2 ARG 24 2HB ARG 24 8.175 -9.777 3.874 200 HB3 ARG 24 1HB ARG 24 6.687 -10.570 4.369 201 HG2 ARG 24 2HG ARG 24 7.914 -12.775 4.205 202 HG3 ARG 24 1HG ARG 24 9.397 -11.854 3.943 203 HD2 ARG 24 2HD ARG 24 7.654 -11.947 6.417 204 HD3 ARG 24 1HD ARG 24 9.368 -12.346 6.267 205 HE ARG 24 HE ARG 24 8.921 -9.622 5.599 206 HH11 ARG 24 1HH1 ARG 24 9.169 -11.707 8.450 207 HH12 ARG 24 2HH1 ARG 24 9.631 -10.395 9.484 208 HH21 ARG 24 1HH2 ARG 24 9.368 -7.941 6.982 209 HH22 ARG 24 2HH2 ARG 24 9.739 -8.255 8.645 210 H LYS 25 H LYS 25 4.877 -10.591 1.344 211 HA LYS 25 HA LYS 25 5.137 -7.852 0.406 212 HB2 LYS 25 2HB LYS 25 2.574 -9.502 0.713 213 HB3 LYS 25 1HB LYS 25 2.812 -8.078 -0.295 214 HG2 LYS 25 2HG LYS 25 4.428 -9.406 -1.697 215 HG3 LYS 25 1HG LYS 25 4.030 -10.823 -0.722 216 HD2 LYS 25 2HD LYS 25 2.724 -10.893 -2.768 217 HD3 LYS 25 1HD LYS 25 1.640 -10.588 -1.408 218 HE2 LYS 25 2HE LYS 25 1.840 -8.095 -2.002 219 HE3 LYS 25 1HE LYS 25 2.599 -8.620 -3.505 220 HZ1 LYS 25 3HZ LYS 25 0.280 -8.277 -3.846 221 HZ2 LYS 25 1HZ LYS 25 -0.126 -9.306 -2.562 222 HZ3 LYS 25 2HZ LYS 25 0.596 -9.934 -3.960 223 H GLU 26 H GLU 26 5.464 -6.508 2.129 224 HA GLU 26 HA GLU 26 3.710 -6.739 4.506 225 HB2 GLU 26 2HB GLU 26 5.685 -6.370 5.950 226 HB3 GLU 26 1HB GLU 26 5.885 -7.817 4.972 227 HG2 GLU 26 2HG GLU 26 7.322 -6.514 3.395 228 HG3 GLU 26 1HG GLU 26 7.184 -5.122 4.466 229 H LEU 27 H LEU 27 3.535 -4.930 5.772 230 HA LEU 27 HA LEU 27 4.084 -2.281 4.599 231 HB2 LEU 27 2HB LEU 27 1.720 -2.708 5.130 232 HB3 LEU 27 1HB LEU 27 2.138 -3.216 6.756 233 HG LEU 27 HG LEU 27 2.903 -0.864 7.241 234 HD11 LEU 27 1HD1 LEU 27 2.207 0.977 5.758 235 HD12 LEU 27 2HD1 LEU 27 1.693 -0.195 4.543 236 HD13 LEU 27 3HD1 LEU 27 3.396 -0.077 4.990 237 HD21 LEU 27 3HD2 LEU 27 0.007 -1.127 6.388 238 HD22 LEU 27 1HD2 LEU 27 0.657 0.064 7.516 239 HD23 LEU 27 2HD2 LEU 27 0.684 -1.646 7.935 240 H ASN 28 H ASN 28 5.782 -1.292 5.470 241 HA ASN 28 HA ASN 28 6.529 -1.585 8.313 242 HB2 ASN 28 2HB ASN 28 8.969 -1.831 7.550 243 HB3 ASN 28 1HB ASN 28 7.948 -3.234 7.244 244 HD21 ASN 28 1HD2 ASN 28 9.674 -0.597 5.772 245 HD22 ASN 28 2HD2 ASN 28 9.549 -1.157 4.144 246 H ARG 29 H ARG 29 8.212 0.132 8.890 247 HA ARG 29 HA ARG 29 7.797 2.616 7.376 248 HB2 ARG 29 2HB ARG 29 8.739 2.243 10.261 249 HB3 ARG 29 1HB ARG 29 8.578 3.790 9.431 250 HG2 ARG 29 2HG ARG 29 6.135 3.324 9.149 251 HG3 ARG 29 1HG ARG 29 6.346 1.877 10.139 252 HD2 ARG 29 2HD ARG 29 5.503 3.657 11.532 253 HD3 ARG 29 1HD ARG 29 7.181 3.336 11.997 254 HE ARG 29 HE ARG 29 7.022 5.401 10.035 255 HH11 ARG 29 1HH1 ARG 29 6.540 4.883 13.478 256 HH12 ARG 29 2HH1 ARG 29 6.852 6.538 13.880 257 HH21 ARG 29 1HH2 ARG 29 7.432 7.559 10.586 258 HH22 ARG 29 2HH2 ARG 29 7.359 8.057 12.247 259 H VAL 30 H VAL 30 9.430 3.425 6.305 260 HA VAL 30 HA VAL 30 12.226 2.513 6.738 261 HB VAL 30 HB VAL 30 10.851 3.221 4.083 262 HG11 VAL 30 1HG1 VAL 30 13.185 3.983 4.005 263 HG12 VAL 30 2HG1 VAL 30 12.967 2.581 2.959 264 HG13 VAL 30 3HG1 VAL 30 13.745 2.395 4.533 265 HG21 VAL 30 3HG2 VAL 30 10.239 0.988 4.886 266 HG22 VAL 30 1HG2 VAL 30 11.941 0.563 5.046 267 HG23 VAL 30 2HG2 VAL 30 11.257 0.875 3.449 268 H SER 31 H SER 31 13.812 4.113 6.657 269 HA SER 31 HA SER 31 12.976 6.936 6.337 270 HB2 SER 31 2HB SER 31 14.088 6.541 8.494 271 HB3 SER 31 1HB SER 31 15.448 5.752 7.687 272 HG SER 31 HG SER 31 14.647 8.462 7.562 273 H TRP 32 H TRP 32 13.602 7.826 4.455 274 HA TRP 32 HA TRP 32 15.468 6.396 2.661 275 HB2 TRP 32 2HB TRP 32 13.261 8.428 2.097 276 HB3 TRP 32 1HB TRP 32 14.356 7.802 0.869 277 HD1 TRP 32 HD1 TRP 32 11.261 6.769 2.939 278 HE1 TRP 32 HE1 TRP 32 10.256 4.647 1.844 279 HE3 TRP 32 HE3 TRP 32 15.000 5.684 -0.409 280 HZ2 TRP 32 HZ2 TRP 32 10.981 2.744 -0.081 281 HZ3 TRP 32 HZ3 TRP 32 14.760 3.696 -1.843 282 HH2 TRP 32 HH2 TRP 32 12.788 2.253 -1.681 283 H ASN 33 H ASN 33 17.419 7.263 2.529 284 HA ASN 33 HA ASN 33 19.210 8.655 2.491 285 HB2 ASN 33 2HB ASN 33 17.021 10.437 1.378 286 HB3 ASN 33 1HB ASN 33 18.622 11.118 1.646 287 HD21 ASN 33 1HD2 ASN 33 17.040 10.592 -0.827 288 HD22 ASN 33 2HD2 ASN 33 18.129 9.714 -1.840 289 H ASP 34 H ASP 34 18.042 8.230 4.991 290 HA ASP 34 HA ASP 34 17.887 8.887 7.138 291 HB2 ASP 34 2HB ASP 34 20.343 9.121 6.713 292 HB3 ASP 34 1HB ASP 34 20.103 10.818 6.319 293 H ALA 35 H ALA 35 15.982 10.103 5.431 294 HA ALA 35 HA ALA 35 15.469 12.767 6.597 295 HB1 ALA 35 3HB ALA 35 13.634 12.874 4.943 296 HB2 ALA 35 1HB ALA 35 13.979 11.217 4.436 297 HB3 ALA 35 2HB ALA 35 15.168 12.490 4.162 298 H GLU 36 H GLU 36 12.775 12.741 6.705 299 HA GLU 36 HA GLU 36 11.844 11.652 9.026 300 HB2 GLU 36 2HB GLU 36 10.202 12.036 6.483 301 HB3 GLU 36 1HB GLU 36 9.521 11.810 8.092 302 HG2 GLU 36 2HG GLU 36 10.562 13.907 8.837 303 HG3 GLU 36 1HG GLU 36 11.248 14.142 7.228 304 HA PRO 37 HA PRO 37 11.441 7.136 8.131 305 HB2 PRO 37 2HB PRO 37 10.510 6.514 10.679 306 HB3 PRO 37 1HB PRO 37 12.234 6.635 10.281 307 HG2 PRO 37 2HG PRO 37 10.462 8.680 11.565 308 HG3 PRO 37 1HG PRO 37 12.123 8.205 11.988 309 HD2 PRO 37 2HD PRO 37 11.654 10.447 10.575 310 HD3 PRO 37 1HD PRO 37 13.074 9.430 10.248 311 H LYS 38 H LYS 38 9.616 6.421 7.140 312 HA LYS 38 HA LYS 38 6.975 7.501 7.808 313 HB2 LYS 38 2HB LYS 38 6.589 8.193 5.447 314 HB3 LYS 38 1HB LYS 38 7.878 9.121 6.204 315 HG2 LYS 38 2HG LYS 38 9.552 7.583 5.063 316 HG3 LYS 38 1HG LYS 38 8.196 6.869 4.187 317 HD2 LYS 38 2HD LYS 38 9.316 8.563 2.799 318 HD3 LYS 38 1HD LYS 38 7.673 9.077 3.192 319 HE2 LYS 38 2HE LYS 38 8.580 10.522 4.997 320 HE3 LYS 38 1HE LYS 38 10.217 10.038 4.549 321 HZ1 LYS 38 3HZ LYS 38 8.303 11.443 2.766 322 HZ2 LYS 38 1HZ LYS 38 9.904 11.036 2.395 323 HZ3 LYS 38 2HZ LYS 38 9.577 12.173 3.600 324 H TYR 39 H TYR 39 5.318 6.470 6.213 325 HA TYR 39 HA TYR 39 5.633 3.661 6.665 326 HB2 TYR 39 2HB TYR 39 3.296 5.226 5.488 327 HB3 TYR 39 1HB TYR 39 3.241 3.583 6.132 328 HD1 TYR 39 HD2 TYR 39 3.545 3.218 8.624 329 HD2 TYR 39 HD1 TYR 39 3.215 7.157 6.998 330 HE1 TYR 39 HE2 TYR 39 3.135 4.117 10.875 331 HE2 TYR 39 HE1 TYR 39 2.813 8.049 9.252 332 HH TYR 39 HH TYR 39 1.956 7.212 11.438 333 H ASP 40 H ASP 40 5.951 2.186 5.222 334 HA ASP 40 HA ASP 40 5.984 2.709 2.307 335 HB2 ASP 40 2HB ASP 40 8.292 2.843 3.351 336 HB3 ASP 40 1HB ASP 40 8.106 1.180 3.895 337 H ILE 41 H ILE 41 5.247 0.983 1.051 338 HA ILE 41 HA ILE 41 4.742 -1.601 2.353 339 HB ILE 41 HB ILE 41 2.628 -0.475 2.740 340 HG12 ILE 41 2HG1 ILE 41 2.327 -2.468 0.448 341 HG13 ILE 41 1HG1 ILE 41 2.515 -2.890 2.143 342 HG21 ILE 41 1HG2 ILE 41 2.453 0.094 -0.233 343 HG22 ILE 41 2HG2 ILE 41 2.747 1.284 1.035 344 HG23 ILE 41 3HG2 ILE 41 1.197 0.445 0.960 345 HD11 ILE 41 3HD1 ILE 41 0.342 -1.821 2.617 346 HD12 ILE 41 1HD1 ILE 41 0.231 -3.140 1.451 347 HD13 ILE 41 2HD1 ILE 41 0.167 -1.470 0.895 348 H ARG 42 H ARG 42 5.241 -3.192 1.136 349 HA ARG 42 HA ARG 42 5.062 -3.512 -1.661 350 HB2 ARG 42 2HB ARG 42 7.438 -3.355 -2.362 351 HB3 ARG 42 1HB ARG 42 6.790 -1.793 -1.882 352 HG2 ARG 42 2HG ARG 42 8.025 -1.768 0.145 353 HG3 ARG 42 1HG ARG 42 8.424 -3.487 0.012 354 HD2 ARG 42 2HD ARG 42 10.294 -1.856 -0.571 355 HD3 ARG 42 1HD ARG 42 9.951 -3.112 -1.757 356 HE ARG 42 HE ARG 42 9.099 -1.525 -3.219 357 HH11 ARG 42 1HH1 ARG 42 10.053 0.029 -0.222 358 HH12 ARG 42 2HH1 ARG 42 10.000 1.619 -0.906 359 HH21 ARG 42 1HH2 ARG 42 8.976 0.550 -4.079 360 HH22 ARG 42 2HH2 ARG 42 9.390 1.914 -3.094 361 H THR 43 H THR 43 6.967 -5.255 -2.351 362 HA THR 43 HA THR 43 6.914 -7.340 -0.289 363 HB THR 43 HB THR 43 7.605 -7.623 -3.256 364 HG1 THR 43 HG1 THR 43 5.449 -6.930 -3.070 365 HG21 THR 43 3HG2 THR 43 7.097 -10.015 -2.860 366 HG22 THR 43 1HG2 THR 43 6.782 -9.668 -1.156 367 HG23 THR 43 2HG2 THR 43 8.407 -9.465 -1.815 368 H TRP 44 H TRP 44 8.781 -7.724 0.733 369 HA TRP 44 HA TRP 44 11.386 -6.750 -0.334 370 HB2 TRP 44 2HB TRP 44 10.493 -7.162 2.561 371 HB3 TRP 44 1HB TRP 44 12.130 -6.747 2.074 372 HD1 TRP 44 HD1 TRP 44 8.622 -5.185 2.421 373 HE1 TRP 44 HE1 TRP 44 8.917 -2.626 2.641 374 HE3 TRP 44 HE3 TRP 44 13.602 -4.800 1.327 375 HZ2 TRP 44 HZ2 TRP 44 10.914 -0.714 2.304 376 HZ3 TRP 44 HZ3 TRP 44 14.623 -2.562 1.299 377 HH2 TRP 44 HH2 TRP 44 13.309 -0.555 1.777 378 H SER 45 H SER 45 13.223 -8.146 0.440 379 HA SER 45 HA SER 45 12.648 -11.009 0.524 380 HB2 SER 45 2HB SER 45 15.120 -11.262 0.786 381 HB3 SER 45 1HB SER 45 14.717 -10.231 -0.581 382 HG SER 45 HG SER 45 16.441 -9.587 1.044 383 HA PRO 46 HA PRO 46 12.440 -11.493 5.098 384 HB2 PRO 46 2HB PRO 46 14.680 -13.446 5.116 385 HB3 PRO 46 1HB PRO 46 12.989 -13.672 5.584 386 HG2 PRO 46 2HG PRO 46 14.199 -14.590 3.230 387 HG3 PRO 46 1HG PRO 46 12.462 -14.579 3.584 388 HD2 PRO 46 2HD PRO 46 13.909 -12.968 1.657 389 HD3 PRO 46 1HD PRO 46 12.163 -13.002 1.968 390 H ASP 47 H ASP 47 15.581 -11.217 3.532 391 HA ASP 47 HA ASP 47 17.002 -10.172 5.813 392 HB2 ASP 47 2HB ASP 47 17.856 -10.327 2.891 393 HB3 ASP 47 1HB ASP 47 18.915 -9.976 4.252 394 H HIS 48 H HIS 48 14.864 -8.774 3.556 395 HA HIS 48 HA HIS 48 14.298 -6.698 2.919 396 HB2 HIS 48 2HB HIS 48 15.733 -5.939 5.491 397 HB3 HIS 48 1HB HIS 48 14.712 -4.838 4.570 398 HD1 HIS 48 HD1 HIS 48 14.085 -5.705 7.550 399 HD2 HIS 48 HD2 HIS 48 12.354 -7.315 4.128 400 HE1 HIS 48 HE1 HIS 48 11.837 -6.583 8.260 401 HE2 HIS 48 HE2 HIS 48 10.726 -7.227 6.110 402 H GLU 49 H GLU 49 16.947 -7.742 2.013 403 HA GLU 49 HA GLU 49 18.440 -5.284 1.335 404 HB2 GLU 49 2HB GLU 49 20.233 -6.763 0.582 405 HB3 GLU 49 1HB GLU 49 19.727 -7.249 2.197 406 HG2 GLU 49 2HG GLU 49 18.440 -9.127 1.261 407 HG3 GLU 49 1HG GLU 49 18.862 -8.618 -0.371 408 H LYS 50 H LYS 50 16.125 -7.442 0.083 409 HA LYS 50 HA LYS 50 16.389 -6.356 -2.664 410 HB2 LYS 50 2HB LYS 50 15.251 -9.037 -1.770 411 HB3 LYS 50 1HB LYS 50 15.289 -8.462 -3.421 412 HG2 LYS 50 2HG LYS 50 17.926 -8.685 -2.001 413 HG3 LYS 50 1HG LYS 50 17.109 -10.183 -2.431 414 HD2 LYS 50 2HD LYS 50 18.671 -9.617 -4.194 415 HD3 LYS 50 1HD LYS 50 17.034 -9.441 -4.810 416 HE2 LYS 50 2HE LYS 50 18.432 -7.614 -5.618 417 HE3 LYS 50 1HE LYS 50 17.212 -6.983 -4.519 418 HZ1 LYS 50 3HZ LYS 50 19.373 -5.999 -4.113 419 HZ2 LYS 50 1HZ LYS 50 20.043 -7.517 -3.820 420 HZ3 LYS 50 2HZ LYS 50 18.871 -6.896 -2.776 421 H MET 51 H MET 51 14.393 -5.852 -3.722 422 HA MET 51 HA MET 51 11.907 -5.583 -2.269 423 HB2 MET 51 2HB MET 51 11.880 -3.111 -2.259 424 HB3 MET 51 1HB MET 51 13.195 -3.727 -1.275 425 HG2 MET 51 2HG MET 51 14.779 -3.225 -3.135 426 HG3 MET 51 1HG MET 51 13.439 -2.528 -4.051 427 HE1 MET 51 3HE MET 51 15.575 0.607 -2.920 428 HE2 MET 51 1HE MET 51 14.910 -0.266 -4.302 429 HE3 MET 51 2HE MET 51 16.201 -0.988 -3.339 430 H GLY 52 H GLY 52 10.297 -4.226 -3.640 431 HA2 GLY 52 2HA GLY 52 10.954 -3.995 -6.500 432 HA3 GLY 52 1HA GLY 52 9.726 -5.184 -6.060 433 H LYS 53 H LYS 53 7.959 -4.195 -7.000 434 HA LYS 53 HA LYS 53 7.489 -1.408 -7.028 435 HB2 LYS 53 2HB LYS 53 5.531 -3.707 -7.482 436 HB3 LYS 53 1HB LYS 53 5.204 -2.021 -7.865 437 HG2 LYS 53 2HG LYS 53 7.388 -3.705 -9.112 438 HG3 LYS 53 1HG LYS 53 5.841 -3.321 -9.863 439 HD2 LYS 53 2HD LYS 53 6.441 -0.909 -9.847 440 HD3 LYS 53 1HD LYS 53 7.989 -1.302 -9.092 441 HE2 LYS 53 2HE LYS 53 8.264 -0.946 -11.507 442 HE3 LYS 53 1HE LYS 53 8.626 -2.619 -11.084 443 HZ1 LYS 53 3HZ LYS 53 7.271 -2.405 -13.100 444 HZ2 LYS 53 1HZ LYS 53 6.033 -1.687 -12.200 445 HZ3 LYS 53 2HZ LYS 53 6.484 -3.287 -11.896 446 H GLY 54 H GLY 54 6.639 -0.069 -5.530 447 HA2 GLY 54 2HA GLY 54 4.650 -0.741 -3.618 448 HA3 GLY 54 1HA GLY 54 6.248 -0.780 -2.875 449 H ILE 55 H ILE 55 4.739 1.043 -1.731 450 HA ILE 55 HA ILE 55 5.277 3.624 -3.033 451 HB ILE 55 HB ILE 55 3.074 3.052 -3.896 452 HG12 ILE 55 2HG1 ILE 55 2.762 5.100 -1.648 453 HG13 ILE 55 1HG1 ILE 55 3.369 5.435 -3.263 454 HG21 ILE 55 1HG2 ILE 55 1.124 2.496 -2.491 455 HG22 ILE 55 2HG2 ILE 55 2.132 2.577 -1.047 456 HG23 ILE 55 3HG2 ILE 55 2.431 1.330 -2.255 457 HD11 ILE 55 3HD1 ILE 55 1.169 4.860 -4.191 458 HD12 ILE 55 1HD1 ILE 55 1.093 6.186 -3.029 459 HD13 ILE 55 2HD1 ILE 55 0.571 4.572 -2.555 460 H THR 56 H THR 56 5.332 5.351 -1.631 461 HA THR 56 HA THR 56 5.521 4.788 1.264 462 HB THR 56 HB THR 56 6.613 7.165 1.287 463 HG1 THR 56 HG1 THR 56 6.156 7.920 -0.722 464 HG21 THR 56 3HG2 THR 56 8.827 6.270 0.684 465 HG22 THR 56 1HG2 THR 56 8.064 4.902 -0.127 466 HG23 THR 56 2HG2 THR 56 7.910 5.086 1.621 467 H LEU 57 H LEU 57 4.402 5.978 2.745 468 HA LEU 57 HA LEU 57 2.268 7.813 1.909 469 HB2 LEU 57 2HB LEU 57 2.077 5.612 4.027 470 HB3 LEU 57 1HB LEU 57 0.804 6.743 3.604 471 HG LEU 57 HG LEU 57 1.899 4.569 1.775 472 HD11 LEU 57 1HD1 LEU 57 0.624 3.584 3.609 473 HD12 LEU 57 2HD1 LEU 57 -0.282 3.452 2.103 474 HD13 LEU 57 3HD1 LEU 57 -0.731 4.676 3.293 475 HD21 LEU 57 3HD2 LEU 57 0.009 5.146 0.276 476 HD22 LEU 57 1HD2 LEU 57 1.145 6.482 0.462 477 HD23 LEU 57 2HD2 LEU 57 -0.394 6.509 1.322 478 H SER 58 H SER 58 1.972 9.502 3.352 479 HA SER 58 HA SER 58 4.076 10.093 5.296 480 HB2 SER 58 2HB SER 58 1.712 11.786 4.365 481 HB3 SER 58 1HB SER 58 3.133 12.368 5.246 482 HG SER 58 HG SER 58 3.081 11.236 2.640 483 H GLU 59 H GLU 59 3.285 11.107 7.453 484 HA GLU 59 HA GLU 59 1.664 9.446 8.980 485 HB2 GLU 59 2HB GLU 59 2.237 12.413 9.442 486 HB3 GLU 59 1HB GLU 59 1.662 11.273 10.661 487 HG2 GLU 59 2HG GLU 59 3.730 9.967 10.443 488 HG3 GLU 59 1HG GLU 59 4.307 11.078 9.202 489 H GLU 60 H GLU 60 0.838 12.401 7.246 490 HA GLU 60 HA GLU 60 -1.868 12.670 7.971 491 HB2 GLU 60 2HB GLU 60 -0.463 13.550 5.411 492 HB3 GLU 60 1HB GLU 60 -2.064 14.090 5.919 493 HG2 GLU 60 2HG GLU 60 -1.054 15.075 7.963 494 HG3 GLU 60 1HG GLU 60 0.537 14.589 7.382 495 H GLU 61 H GLU 61 -0.393 11.090 5.164 496 HA GLU 61 HA GLU 61 -2.841 10.539 3.806 497 HB2 GLU 61 2HB GLU 61 -0.055 9.363 3.397 498 HB3 GLU 61 1HB GLU 61 -1.378 9.314 2.230 499 HG2 GLU 61 2HG GLU 61 -1.303 11.667 1.877 500 HG3 GLU 61 1HG GLU 61 -0.266 11.924 3.282 501 H PHE 62 H PHE 62 -0.505 8.468 5.480 502 HA PHE 62 HA PHE 62 -1.953 6.057 5.487 503 HB2 PHE 62 2HB PHE 62 0.497 6.267 5.923 504 HB3 PHE 62 1HB PHE 62 0.157 7.057 7.457 505 HD1 PHE 62 HD2 PHE 62 -0.138 3.849 5.593 506 HD2 PHE 62 HD1 PHE 62 -0.341 5.749 9.420 507 HE1 PHE 62 HE2 PHE 62 -0.141 1.655 6.692 508 HE2 PHE 62 HE1 PHE 62 -0.351 3.544 10.510 509 HZ PHE 62 HZ PHE 62 -0.241 1.501 9.145 510 H GLY 63 H GLY 63 -1.880 8.852 7.763 511 HA2 GLY 63 2HA GLY 63 -3.586 7.916 9.752 512 HA3 GLY 63 1HA GLY 63 -3.455 9.593 9.239 513 H VAL 64 H VAL 64 -4.429 9.496 6.642 514 HA VAL 64 HA VAL 64 -7.243 9.452 6.945 515 HB VAL 64 HB VAL 64 -5.547 9.507 4.405 516 HG11 VAL 64 1HG1 VAL 64 -8.528 10.063 4.657 517 HG12 VAL 64 2HG1 VAL 64 -7.786 8.687 3.834 518 HG13 VAL 64 3HG1 VAL 64 -7.553 10.321 3.210 519 HG21 VAL 64 3HG2 VAL 64 -5.211 11.474 5.864 520 HG22 VAL 64 1HG2 VAL 64 -6.948 11.785 5.866 521 HG23 VAL 64 2HG2 VAL 64 -6.023 11.930 4.369 522 H LEU 65 H LEU 65 -4.911 7.051 5.631 523 HA LEU 65 HA LEU 65 -6.700 5.149 4.604 524 HB2 LEU 65 2HB LEU 65 -4.184 5.122 4.339 525 HB3 LEU 65 1HB LEU 65 -4.053 4.573 6.000 526 HG LEU 65 HG LEU 65 -5.429 2.509 5.308 527 HD11 LEU 65 1HD1 LEU 65 -5.493 1.925 2.929 528 HD12 LEU 65 2HD1 LEU 65 -4.840 3.509 2.505 529 HD13 LEU 65 3HD1 LEU 65 -6.430 3.381 3.262 530 HD21 LEU 65 3HD2 LEU 65 -2.996 2.401 5.654 531 HD22 LEU 65 1HD2 LEU 65 -2.719 2.896 3.980 532 HD23 LEU 65 2HD2 LEU 65 -3.493 1.348 4.332 533 H LEU 66 H LEU 66 -5.218 5.367 7.858 534 HA LEU 66 HA LEU 66 -6.346 3.186 9.131 535 HB2 LEU 66 2HB LEU 66 -5.511 5.926 10.163 536 HB3 LEU 66 1HB LEU 66 -5.942 4.601 11.228 537 HG LEU 66 HG LEU 66 -3.594 4.617 9.297 538 HD11 LEU 66 1HD1 LEU 66 -2.185 4.701 11.309 539 HD12 LEU 66 2HD1 LEU 66 -3.623 4.795 12.327 540 HD13 LEU 66 3HD1 LEU 66 -3.243 6.108 11.211 541 HD21 LEU 66 3HD2 LEU 66 -4.465 2.345 9.529 542 HD22 LEU 66 1HD2 LEU 66 -4.429 2.476 11.290 543 HD23 LEU 66 2HD2 LEU 66 -2.925 2.486 10.366 544 H LYS 67 H LYS 67 -7.488 6.525 8.985 545 HA LYS 67 HA LYS 67 -9.765 6.407 10.614 546 HB2 LYS 67 2HB LYS 67 -9.039 8.167 8.245 547 HB3 LYS 67 1HB LYS 67 -10.489 8.434 9.206 548 HG2 LYS 67 2HG LYS 67 -9.281 9.143 11.091 549 HG3 LYS 67 1HG LYS 67 -7.784 8.380 10.551 550 HD2 LYS 67 2HD LYS 67 -7.955 10.977 10.396 551 HD3 LYS 67 1HD LYS 67 -7.306 10.100 9.011 552 HE2 LYS 67 2HE LYS 67 -8.865 11.869 8.306 553 HE3 LYS 67 1HE LYS 67 -9.477 10.276 7.862 554 HZ1 LYS 67 3HZ LYS 67 -11.201 11.696 8.783 555 HZ2 LYS 67 1HZ LYS 67 -10.325 11.869 10.218 556 HZ3 LYS 67 2HZ LYS 67 -10.942 10.357 9.782 557 H GLU 68 H GLU 68 -9.605 6.287 7.041 558 HA GLU 68 HA GLU 68 -12.411 5.919 6.750 559 HB2 GLU 68 2HB GLU 68 -10.202 5.573 4.692 560 HB3 GLU 68 1HB GLU 68 -11.921 5.671 4.337 561 HG2 GLU 68 2HG GLU 68 -10.199 7.869 5.511 562 HG3 GLU 68 1HG GLU 68 -10.841 7.799 3.873 563 H LEU 69 H LEU 69 -9.678 3.676 6.872 564 HA LEU 69 HA LEU 69 -11.101 1.319 6.145 565 HB2 LEU 69 2HB LEU 69 -8.637 1.686 7.901 566 HB3 LEU 69 1HB LEU 69 -9.292 0.110 7.475 567 HG LEU 69 HG LEU 69 -8.111 2.142 5.542 568 HD11 LEU 69 1HD1 LEU 69 -7.121 -0.595 6.386 569 HD12 LEU 69 2HD1 LEU 69 -6.429 0.957 6.862 570 HD13 LEU 69 3HD1 LEU 69 -6.370 0.451 5.177 571 HD21 LEU 69 3HD2 LEU 69 -9.264 -0.588 4.911 572 HD22 LEU 69 1HD2 LEU 69 -8.425 0.484 3.787 573 HD23 LEU 69 2HD2 LEU 69 -9.977 0.968 4.466 574 H GLY 70 H GLY 70 -10.500 2.968 9.262 575 HA2 GLY 70 2HA GLY 70 -11.792 1.172 11.015 576 HA3 GLY 70 1HA GLY 70 -11.593 2.893 11.287 577 H ASN 71 H ASN 71 -13.070 3.803 9.049 578 HA ASN 71 HA ASN 71 -15.804 3.693 9.878 579 HB2 ASN 71 2HB ASN 71 -14.634 4.540 7.184 580 HB3 ASN 71 1HB ASN 71 -16.297 4.836 7.688 581 HD21 ASN 71 1HD2 ASN 71 -14.190 6.707 6.943 582 HD22 ASN 71 2HD2 ASN 71 -14.000 7.785 8.274 583 H LYS 72 H LYS 72 -14.379 2.498 6.862 584 HA LYS 72 HA LYS 72 -16.189 0.689 5.953 585 HB2 LYS 72 2HB LYS 72 -13.161 0.346 5.840 586 HB3 LYS 72 1HB LYS 72 -14.304 -0.576 4.863 587 HG2 LYS 72 2HG LYS 72 -15.090 1.519 3.805 588 HG3 LYS 72 1HG LYS 72 -13.933 2.430 4.774 589 HD2 LYS 72 2HD LYS 72 -12.997 2.132 2.561 590 HD3 LYS 72 1HD LYS 72 -12.068 1.139 3.687 591 HE2 LYS 72 2HE LYS 72 -12.545 -0.048 1.562 592 HE3 LYS 72 1HE LYS 72 -13.282 -0.866 2.944 593 HZ1 LYS 72 3HZ LYS 72 -14.715 1.018 1.155 594 HZ2 LYS 72 1HZ LYS 72 -15.391 0.073 2.380 595 HZ3 LYS 72 2HZ LYS 72 -14.763 -0.663 0.995 596 H LEU 73 H LEU 73 -14.184 0.122 8.799 597 HA LEU 73 HA LEU 73 -14.682 -2.708 8.980 598 HB2 LEU 73 2HB LEU 73 -13.532 -0.725 10.970 599 HB3 LEU 73 1HB LEU 73 -13.754 -2.425 11.360 600 HG LEU 73 HG LEU 73 -11.911 -1.300 9.211 601 HD11 LEU 73 1HD1 LEU 73 -11.033 -1.031 11.484 602 HD12 LEU 73 2HD1 LEU 73 -10.084 -2.201 10.571 603 HD13 LEU 73 3HD1 LEU 73 -11.241 -2.760 11.782 604 HD21 LEU 73 3HD2 LEU 73 -11.186 -3.630 8.800 605 HD22 LEU 73 1HD2 LEU 73 -12.887 -3.393 8.396 606 HD23 LEU 73 2HD2 LEU 73 -12.442 -4.212 9.892 607 H GLU 74 H GLU 74 -16.884 -0.309 9.292 608 HA GLU 74 HA GLU 74 -18.624 -1.487 11.263 609 HB2 GLU 74 2HB GLU 74 -19.293 0.115 8.745 610 HB3 GLU 74 1HB GLU 74 -20.474 -0.360 9.962 611 HG2 GLU 74 2HG GLU 74 -19.302 0.989 11.656 612 HG3 GLU 74 1HG GLU 74 -18.093 1.450 10.457 613 H HIS 75 H HIS 75 -18.194 -1.870 7.744 614 HA HIS 75 HA HIS 75 -19.396 -4.539 7.760 615 HB2 HIS 75 2HB HIS 75 -19.678 -3.196 5.705 616 HB3 HIS 75 1HB HIS 75 -17.939 -2.971 5.568 617 HD1 HIS 75 HD1 HIS 75 -20.610 -5.620 5.155 618 HD2 HIS 75 HD2 HIS 75 -16.609 -5.029 4.186 619 HE1 HIS 75 HE1 HIS 75 -19.994 -7.521 3.645 620 HE2 HIS 75 HE2 HIS 75 -17.635 -7.050 2.938 621 H HIS 76 H HIS 76 -18.084 -5.472 9.347 622 HA HIS 76 HA HIS 76 -15.267 -5.574 9.406 623 HB2 HIS 76 2HB HIS 76 -17.309 -7.586 10.466 624 HB3 HIS 76 1HB HIS 76 -15.586 -7.657 10.817 625 HD1 HIS 76 HD1 HIS 76 -14.773 -6.324 12.755 626 HD2 HIS 76 HD2 HIS 76 -18.608 -5.216 11.612 627 HE1 HIS 76 HE1 HIS 76 -15.560 -4.722 14.507 628 HE2 HIS 76 HE2 HIS 76 -17.851 -4.018 13.774 629 H HIS 77 H HIS 77 -14.248 -6.057 7.562 630 HA HIS 77 HA HIS 77 -15.085 -7.716 5.472 631 HB2 HIS 77 2HB HIS 77 -13.328 -6.041 5.150 632 HB3 HIS 77 1HB HIS 77 -12.284 -6.852 6.307 633 HD1 HIS 77 HD1 HIS 77 -11.083 -9.037 5.513 634 HD2 HIS 77 HD2 HIS 77 -13.274 -7.100 2.554 635 HE1 HIS 77 HE1 HIS 77 -10.367 -10.073 3.345 636 HE2 HIS 77 HE2 HIS 77 -11.799 -8.997 1.597 637 H HIS 78 H HIS 78 -14.531 -9.802 4.870 638 HA HIS 78 HA HIS 78 -14.715 -11.840 6.720 639 HB2 HIS 78 2HB HIS 78 -15.289 -11.957 4.263 640 HB3 HIS 78 1HB HIS 78 -13.570 -12.027 3.890 641 HD1 HIS 78 HD1 HIS 78 -16.392 -14.142 4.236 642 HD2 HIS 78 HD2 HIS 78 -12.391 -14.500 5.310 643 HE1 HIS 78 HE1 HIS 78 -15.966 -16.611 4.456 644 HE2 HIS 78 HE2 HIS 78 -13.516 -16.799 4.980 645 H HIS 79 H HIS 79 -13.264 -11.898 8.341 646 HA HIS 79 HA HIS 79 -10.372 -12.098 7.849 647 HB2 HIS 79 2HB HIS 79 -10.083 -11.826 10.228 648 HB3 HIS 79 1HB HIS 79 -11.331 -10.680 9.756 649 HD1 HIS 79 HD1 HIS 79 -13.868 -11.536 10.266 650 HD2 HIS 79 HD2 HIS 79 -10.799 -13.431 12.333 651 HE1 HIS 79 HE1 HIS 79 -14.970 -12.673 12.207 652 HE2 HIS 79 HE2 HIS 79 -13.078 -13.668 13.527 653 H HIS 80 H HIS 80 -9.195 -13.931 8.898 654 HA HIS 80 HA HIS 80 -10.693 -16.467 8.655 655 HB2 HIS 80 2HB HIS 80 -7.685 -15.957 8.659 656 HB3 HIS 80 1HB HIS 80 -8.463 -17.514 8.390 657 HD1 HIS 80 HD1 HIS 80 -6.826 -15.125 6.513 658 HD2 HIS 80 HD2 HIS 80 -10.495 -17.006 6.030 659 HE1 HIS 80 HE1 HIS 80 -7.366 -14.936 4.074 660 HE2 HIS 80 HE2 HIS 80 -9.429 -16.334 3.778 661 H1 MET 1 1H MET 1 1.279 -18.160 -19.344 662 H2 MET 1 2H MET 1 2.077 -19.218 -20.396 663 H3 MET 1 3H MET 1 0.395 -19.045 -20.477 664 HA MET 1 HA MET 1 2.338 -16.894 -21.027 665 HB2 MET 1 2HB MET 1 2.453 -18.666 -22.762 666 HB3 MET 1 1HB MET 1 0.709 -18.615 -22.960 667 HG2 MET 1 2HG MET 1 0.891 -16.291 -23.810 668 HG3 MET 1 1HG MET 1 2.642 -16.386 -23.645 669 HE1 MET 1 3HE MET 1 3.235 -19.415 -24.680 670 HE2 MET 1 1HE MET 1 4.193 -18.010 -25.170 671 HE3 MET 1 2HE MET 1 3.529 -19.099 -26.385 672 H ALA 2 H ALA 2 1.440 -14.942 -21.007 673 HA ALA 2 HA ALA 2 -1.452 -14.562 -21.499 674 HB1 ALA 2 3HB ALA 2 0.162 -13.154 -19.325 675 HB2 ALA 2 1HB ALA 2 -1.083 -14.377 -19.059 676 HB3 ALA 2 2HB ALA 2 -1.518 -12.815 -19.752 677 H ASP 3 H ASP 3 -1.412 -13.616 -23.437 678 HA ASP 3 HA ASP 3 0.693 -12.273 -24.710 679 HB2 ASP 3 2HB ASP 3 -1.176 -13.351 -25.924 680 HB3 ASP 3 1HB ASP 3 -2.316 -12.187 -25.259 681 H LYS 4 H LYS 4 -2.402 -10.782 -23.760 682 HA LYS 4 HA LYS 4 -1.033 -8.240 -23.092 683 HB2 LYS 4 2HB LYS 4 -2.528 -8.061 -25.054 684 HB3 LYS 4 1HB LYS 4 -3.859 -8.748 -24.138 685 HG2 LYS 4 2HG LYS 4 -3.835 -6.741 -22.643 686 HG3 LYS 4 1HG LYS 4 -2.542 -6.051 -23.628 687 HD2 LYS 4 2HD LYS 4 -4.726 -5.084 -24.254 688 HD3 LYS 4 1HD LYS 4 -4.053 -6.012 -25.597 689 HE2 LYS 4 2HE LYS 4 -5.531 -7.917 -24.989 690 HE3 LYS 4 1HE LYS 4 -6.217 -6.954 -23.680 691 HZ1 LYS 4 3HZ LYS 4 -6.347 -6.233 -26.556 692 HZ2 LYS 4 1HZ LYS 4 -7.074 -5.403 -25.281 693 HZ3 LYS 4 2HZ LYS 4 -7.595 -6.960 -25.680 694 H LEU 5 H LEU 5 -1.493 -7.314 -21.136 695 HA LEU 5 HA LEU 5 -3.253 -8.769 -19.262 696 HB2 LEU 5 2HB LEU 5 -1.100 -6.713 -18.609 697 HB3 LEU 5 1HB LEU 5 -2.101 -7.566 -17.444 698 HG LEU 5 HG LEU 5 0.127 -8.702 -19.158 699 HD11 LEU 5 1HD1 LEU 5 0.812 -7.641 -17.059 700 HD12 LEU 5 2HD1 LEU 5 1.092 -9.380 -17.023 701 HD13 LEU 5 3HD1 LEU 5 -0.287 -8.693 -16.161 702 HD21 LEU 5 3HD2 LEU 5 -0.383 -10.939 -18.259 703 HD22 LEU 5 1HD2 LEU 5 -1.685 -10.336 -19.283 704 HD23 LEU 5 2HD2 LEU 5 -1.863 -10.315 -17.527 705 H LYS 6 H LYS 6 -4.792 -7.604 -18.131 706 HA LYS 6 HA LYS 6 -5.485 -4.904 -19.136 707 HB2 LYS 6 2HB LYS 6 -7.325 -7.223 -18.389 708 HB3 LYS 6 1HB LYS 6 -7.893 -5.592 -18.691 709 HG2 LYS 6 2HG LYS 6 -6.459 -7.321 -20.727 710 HG3 LYS 6 1HG LYS 6 -8.211 -7.136 -20.619 711 HD2 LYS 6 2HD LYS 6 -6.246 -4.876 -21.166 712 HD3 LYS 6 1HD LYS 6 -7.227 -5.688 -22.386 713 HE2 LYS 6 2HE LYS 6 -9.277 -4.856 -21.370 714 HE3 LYS 6 1HE LYS 6 -8.375 -4.169 -20.015 715 HZ1 LYS 6 3HZ LYS 6 -8.172 -3.315 -22.854 716 HZ2 LYS 6 1HZ LYS 6 -7.284 -2.666 -21.573 717 HZ3 LYS 6 2HZ LYS 6 -8.962 -2.473 -21.619 718 H PHE 7 H PHE 7 -6.585 -3.538 -17.540 719 HA PHE 7 HA PHE 7 -7.048 -4.570 -14.871 720 HB2 PHE 7 2HB PHE 7 -5.914 -2.652 -13.760 721 HB3 PHE 7 1HB PHE 7 -4.769 -3.654 -14.634 722 HD1 PHE 7 HD1 PHE 7 -3.756 -2.813 -16.789 723 HD2 PHE 7 HD2 PHE 7 -6.213 -0.317 -14.329 724 HE1 PHE 7 HE1 PHE 7 -2.888 -0.815 -17.939 725 HE2 PHE 7 HE2 PHE 7 -5.344 1.669 -15.484 726 HZ PHE 7 HZ PHE 7 -3.685 1.427 -17.286 727 H GLU 8 H GLU 8 -8.778 -3.526 -13.899 728 HA GLU 8 HA GLU 8 -9.802 -1.050 -15.101 729 HB2 GLU 8 2HB GLU 8 -11.070 -2.923 -16.190 730 HB3 GLU 8 1HB GLU 8 -11.590 -3.477 -14.599 731 HG2 GLU 8 2HG GLU 8 -13.366 -2.179 -15.667 732 HG3 GLU 8 1HG GLU 8 -12.780 -1.344 -14.241 733 H ILE 9 H ILE 9 -10.770 0.278 -13.617 734 HA ILE 9 HA ILE 9 -10.382 -0.376 -10.805 735 HB ILE 9 HB ILE 9 -11.375 2.193 -12.125 736 HG12 ILE 9 2HG1 ILE 9 -8.624 1.432 -11.014 737 HG13 ILE 9 1HG1 ILE 9 -9.023 1.623 -12.715 738 HG21 ILE 9 1HG2 ILE 9 -12.186 2.009 -9.771 739 HG22 ILE 9 2HG2 ILE 9 -10.973 3.280 -9.912 740 HG23 ILE 9 3HG2 ILE 9 -10.533 1.720 -9.220 741 HD11 ILE 9 3HD1 ILE 9 -7.793 3.511 -11.927 742 HD12 ILE 9 1HD1 ILE 9 -8.957 3.785 -10.634 743 HD13 ILE 9 2HD1 ILE 9 -9.439 4.011 -12.315 744 H ILE 10 H ILE 10 -11.881 -1.477 -9.856 745 HA ILE 10 HA ILE 10 -14.592 -1.787 -10.889 746 HB ILE 10 HB ILE 10 -13.117 -3.165 -8.598 747 HG12 ILE 10 2HG1 ILE 10 -12.031 -3.679 -10.700 748 HG13 ILE 10 1HG1 ILE 10 -12.957 -5.096 -10.223 749 HG21 ILE 10 1HG2 ILE 10 -14.878 -4.897 -8.677 750 HG22 ILE 10 2HG2 ILE 10 -15.774 -3.945 -9.861 751 HG23 ILE 10 3HG2 ILE 10 -15.535 -3.321 -8.228 752 HD11 ILE 10 3HD1 ILE 10 -14.729 -4.418 -11.846 753 HD12 ILE 10 1HD1 ILE 10 -13.167 -4.753 -12.595 754 HD13 ILE 10 2HD1 ILE 10 -13.689 -3.088 -12.361 755 H GLU 11 H GLU 11 -12.882 -0.521 -8.059 756 HA GLU 11 HA GLU 11 -15.151 1.143 -7.309 757 HB2 GLU 11 2HB GLU 11 -15.693 -0.959 -6.104 758 HB3 GLU 11 1HB GLU 11 -14.083 -0.995 -5.401 759 HG2 GLU 11 2HG GLU 11 -15.705 -0.275 -3.745 760 HG3 GLU 11 1HG GLU 11 -14.596 1.043 -4.106 761 H GLU 12 H GLU 12 -14.475 2.955 -6.173 762 HA GLU 12 HA GLU 12 -11.596 3.241 -5.520 763 HB2 GLU 12 2HB GLU 12 -13.747 5.396 -5.762 764 HB3 GLU 12 1HB GLU 12 -12.030 5.674 -5.486 765 HG2 GLU 12 2HG GLU 12 -11.569 4.638 -7.736 766 HG3 GLU 12 1HG GLU 12 -13.308 4.554 -7.996 767 H LEU 13 H LEU 13 -11.003 3.253 -3.377 768 HA LEU 13 HA LEU 13 -13.235 2.912 -1.432 769 HB2 LEU 13 2HB LEU 13 -10.290 2.220 -1.085 770 HB3 LEU 13 1HB LEU 13 -11.579 1.852 0.051 771 HG LEU 13 HG LEU 13 -11.282 0.659 -2.733 772 HD11 LEU 13 1HD1 LEU 13 -10.793 -1.450 -1.575 773 HD12 LEU 13 2HD1 LEU 13 -10.856 -0.622 -0.019 774 HD13 LEU 13 3HD1 LEU 13 -9.604 -0.207 -1.192 775 HD21 LEU 13 3HD2 LEU 13 -13.154 -0.828 -2.130 776 HD22 LEU 13 1HD2 LEU 13 -13.650 0.865 -2.152 777 HD23 LEU 13 2HD2 LEU 13 -13.370 0.050 -0.614 778 H ILE 14 H ILE 14 -9.985 4.397 -1.556 779 HA ILE 14 HA ILE 14 -10.794 6.589 0.254 780 HB ILE 14 HB ILE 14 -8.290 4.890 0.811 781 HG12 ILE 14 2HG1 ILE 14 -10.900 4.755 2.399 782 HG13 ILE 14 1HG1 ILE 14 -10.369 3.522 1.265 783 HG21 ILE 14 1HG2 ILE 14 -8.254 6.126 2.963 784 HG22 ILE 14 2HG2 ILE 14 -9.691 7.023 2.476 785 HG23 ILE 14 3HG2 ILE 14 -8.181 7.231 1.586 786 HD11 ILE 14 3HD1 ILE 14 -9.935 2.876 3.549 787 HD12 ILE 14 1HD1 ILE 14 -8.945 4.312 3.802 788 HD13 ILE 14 2HD1 ILE 14 -8.423 3.065 2.664 789 H VAL 15 H VAL 15 -9.835 8.472 -0.489 790 HA VAL 15 HA VAL 15 -7.352 8.363 -2.096 791 HB VAL 15 HB VAL 15 -9.182 10.731 -1.440 792 HG11 VAL 15 1HG1 VAL 15 -6.757 10.664 -3.284 793 HG12 VAL 15 2HG1 VAL 15 -6.868 11.512 -1.738 794 HG13 VAL 15 3HG1 VAL 15 -7.871 12.020 -3.096 795 HG21 VAL 15 3HG2 VAL 15 -10.251 9.141 -2.983 796 HG22 VAL 15 1HG2 VAL 15 -8.844 9.191 -4.050 797 HG23 VAL 15 2HG2 VAL 15 -9.843 10.630 -3.833 798 H LEU 16 H LEU 16 -5.437 8.572 -1.035 799 HA LEU 16 HA LEU 16 -5.389 9.300 1.824 800 HB2 LEU 16 2HB LEU 16 -3.127 8.194 0.105 801 HB3 LEU 16 1HB LEU 16 -3.156 8.303 1.857 802 HG LEU 16 HG LEU 16 -4.900 6.486 0.156 803 HD11 LEU 16 1HD1 LEU 16 -2.585 5.685 0.290 804 HD12 LEU 16 2HD1 LEU 16 -3.668 4.631 1.197 805 HD13 LEU 16 3HD1 LEU 16 -2.637 5.785 2.052 806 HD21 LEU 16 3HD2 LEU 16 -4.811 6.825 3.160 807 HD22 LEU 16 1HD2 LEU 16 -5.712 5.574 2.296 808 HD23 LEU 16 2HD2 LEU 16 -6.141 7.269 2.083 809 H SER 17 H SER 17 -4.435 10.424 -1.287 810 HA SER 17 HA SER 17 -3.413 12.941 -0.373 811 HB2 SER 17 2HB SER 17 -1.421 11.403 -0.059 812 HB3 SER 17 1HB SER 17 -1.472 11.038 -1.782 813 HG SER 17 HG SER 17 -0.464 13.210 -0.483 814 H GLU 18 H GLU 18 -3.416 14.395 -2.057 815 HA GLU 18 HA GLU 18 -4.086 13.501 -4.802 816 HB2 GLU 18 2HB GLU 18 -6.146 14.273 -3.633 817 HB3 GLU 18 1HB GLU 18 -5.376 15.814 -3.268 818 HG2 GLU 18 2HG GLU 18 -5.284 16.368 -5.652 819 HG3 GLU 18 1HG GLU 18 -5.951 14.791 -6.072 820 H ASN 19 H ASN 19 -3.123 14.737 -6.445 821 HA ASN 19 HA ASN 19 -1.020 16.675 -5.570 822 HB2 ASN 19 2HB ASN 19 -0.307 14.687 -6.893 823 HB3 ASN 19 1HB ASN 19 -1.370 15.171 -8.206 824 HD21 ASN 19 1HD2 ASN 19 0.301 15.283 -9.667 825 HD22 ASN 19 2HD2 ASN 19 1.526 16.495 -9.622 826 H ALA 20 H ALA 20 -0.703 18.615 -7.010 827 HA ALA 20 HA ALA 20 -3.069 20.093 -7.501 828 HB1 ALA 20 3HB ALA 20 -0.909 21.136 -6.946 829 HB2 ALA 20 1HB ALA 20 -1.562 21.802 -8.440 830 HB3 ALA 20 2HB ALA 20 -0.242 20.626 -8.497 831 H LYS 21 H LYS 21 -0.909 18.265 -9.659 832 HA LYS 21 HA LYS 21 -2.483 18.650 -12.043 833 HB2 LYS 21 2HB LYS 21 -0.382 16.547 -11.350 834 HB3 LYS 21 1HB LYS 21 -1.068 16.777 -12.952 835 HG2 LYS 21 2HG LYS 21 0.571 18.841 -11.444 836 HG3 LYS 21 1HG LYS 21 1.167 17.802 -12.740 837 HD2 LYS 21 2HD LYS 21 -0.346 18.847 -14.345 838 HD3 LYS 21 1HD LYS 21 -1.099 19.804 -13.068 839 HE2 LYS 21 2HE LYS 21 0.458 21.158 -14.389 840 HE3 LYS 21 1HE LYS 21 1.006 21.022 -12.721 841 HZ1 LYS 21 3HZ LYS 21 2.816 20.781 -14.282 842 HZ2 LYS 21 1HZ LYS 21 2.056 19.467 -15.023 843 HZ3 LYS 21 2HZ LYS 21 2.593 19.346 -13.427 844 H GLY 22 H GLY 22 -2.794 16.694 -9.246 845 HA2 GLY 22 2HA GLY 22 -5.083 15.950 -8.845 846 HA3 GLY 22 1HA GLY 22 -5.035 15.169 -10.420 847 H TRP 23 H TRP 23 -2.184 14.330 -9.982 848 HA TRP 23 HA TRP 23 -2.488 11.701 -9.679 849 HB2 TRP 23 2HB TRP 23 -0.084 13.355 -8.852 850 HB3 TRP 23 1HB TRP 23 -0.047 11.601 -8.772 851 HD1 TRP 23 HD1 TRP 23 -0.319 14.447 -11.391 852 HE1 TRP 23 HE1 TRP 23 0.508 13.525 -13.648 853 HE3 TRP 23 HE3 TRP 23 0.353 9.524 -10.098 854 HZ2 TRP 23 HZ2 TRP 23 1.367 11.060 -14.724 855 HZ3 TRP 23 HZ3 TRP 23 1.195 7.951 -11.798 856 HH2 TRP 23 HH2 TRP 23 1.690 8.709 -14.070 857 H ARG 24 H ARG 24 -3.635 10.622 -8.202 858 HA ARG 24 HA ARG 24 -3.612 11.432 -5.378 859 HB2 ARG 24 2HB ARG 24 -5.556 9.858 -7.091 860 HB3 ARG 24 1HB ARG 24 -5.650 9.819 -5.332 861 HG2 ARG 24 2HG ARG 24 -6.109 12.175 -5.221 862 HG3 ARG 24 1HG ARG 24 -5.788 12.386 -6.938 863 HD2 ARG 24 2HD ARG 24 -7.751 10.969 -7.473 864 HD3 ARG 24 1HD ARG 24 -8.060 10.759 -5.745 865 HE ARG 24 HE ARG 24 -7.998 13.518 -6.381 866 HH11 ARG 24 1HH1 ARG 24 -10.060 10.697 -6.797 867 HH12 ARG 24 2HH1 ARG 24 -11.516 11.630 -6.887 868 HH21 ARG 24 1HH2 ARG 24 -9.912 14.726 -6.475 869 HH22 ARG 24 2HH2 ARG 24 -11.438 13.920 -6.707 870 H LYS 25 H LYS 25 -2.343 10.287 -4.059 871 HA LYS 25 HA LYS 25 -1.640 7.496 -4.662 872 HB2 LYS 25 2HB LYS 25 -0.933 9.204 -2.217 873 HB3 LYS 25 1HB LYS 25 -0.370 7.560 -2.514 874 HG2 LYS 25 2HG LYS 25 0.690 8.427 -4.657 875 HG3 LYS 25 1HG LYS 25 0.330 10.053 -4.086 876 HD2 LYS 25 2HD LYS 25 2.091 8.013 -2.675 877 HD3 LYS 25 1HD LYS 25 2.661 9.419 -3.573 878 HE2 LYS 25 2HE LYS 25 1.600 10.916 -1.957 879 HE3 LYS 25 1HE LYS 25 0.922 9.536 -1.089 880 HZ1 LYS 25 3HZ LYS 25 2.859 10.299 0.047 881 HZ2 LYS 25 1HZ LYS 25 3.796 10.225 -1.357 882 HZ3 LYS 25 2HZ LYS 25 3.222 8.805 -0.650 883 H GLU 26 H GLU 26 -3.360 6.229 -4.439 884 HA GLU 26 HA GLU 26 -5.191 6.553 -2.132 885 HB2 GLU 26 2HB GLU 26 -7.114 6.332 -3.726 886 HB3 GLU 26 1HB GLU 26 -6.163 7.788 -3.994 887 HG2 GLU 26 2HG GLU 26 -5.065 6.781 -5.927 888 HG3 GLU 26 1HG GLU 26 -5.882 5.249 -5.639 889 H LEU 27 H LEU 27 -6.702 4.803 -1.898 890 HA LEU 27 HA LEU 27 -5.736 2.138 -2.719 891 HB2 LEU 27 2HB LEU 27 -5.661 2.488 -0.293 892 HB3 LEU 27 1HB LEU 27 -7.323 3.052 -0.286 893 HG LEU 27 HG LEU 27 -8.049 0.743 -1.013 894 HD11 LEU 27 1HD1 LEU 27 -6.508 -1.157 -0.740 895 HD12 LEU 27 2HD1 LEU 27 -5.171 -0.043 -0.455 896 HD13 LEU 27 3HD1 LEU 27 -5.976 -0.071 -2.025 897 HD21 LEU 27 3HD2 LEU 27 -6.560 0.854 1.622 898 HD22 LEU 27 1HD2 LEU 27 -7.865 -0.254 1.200 899 HD23 LEU 27 2HD2 LEU 27 -8.187 1.472 1.333 900 H ASN 28 H ASN 28 -6.994 1.174 -4.138 901 HA ASN 28 HA ASN 28 -9.919 1.414 -4.099 902 HB2 ASN 28 2HB ASN 28 -9.899 1.769 -6.651 903 HB3 ASN 28 1HB ASN 28 -9.455 3.160 -5.671 904 HD21 ASN 28 1HD2 ASN 28 -7.270 3.808 -5.614 905 HD22 ASN 28 2HD2 ASN 28 -6.160 3.339 -6.841 906 H ARG 29 H ARG 29 -10.908 -0.189 -5.632 907 HA ARG 29 HA ARG 29 -9.448 -2.728 -5.519 908 HB2 ARG 29 2HB ARG 29 -12.431 -2.115 -5.744 909 HB3 ARG 29 1HB ARG 29 -11.755 -3.732 -5.942 910 HG2 ARG 29 2HG ARG 29 -10.907 -3.710 -3.658 911 HG3 ARG 29 1HG ARG 29 -11.477 -2.053 -3.433 912 HD2 ARG 29 2HD ARG 29 -12.976 -3.770 -2.406 913 HD3 ARG 29 1HD ARG 29 -13.785 -2.765 -3.608 914 HE ARG 29 HE ARG 29 -14.025 -4.591 -4.993 915 HH11 ARG 29 1HH1 ARG 29 -12.032 -5.534 -2.273 916 HH12 ARG 29 2HH1 ARG 29 -12.131 -7.225 -2.623 917 HH21 ARG 29 1HH2 ARG 29 -14.187 -6.811 -5.419 918 HH22 ARG 29 2HH2 ARG 29 -13.359 -7.954 -4.410 919 H VAL 30 H VAL 30 -8.668 -3.491 -7.318 920 HA VAL 30 HA VAL 30 -9.663 -2.636 -9.978 921 HB VAL 30 HB VAL 30 -6.775 -3.232 -9.123 922 HG11 VAL 30 1HG1 VAL 30 -7.786 -2.466 -11.890 923 HG12 VAL 30 2HG1 VAL 30 -7.127 -4.033 -11.418 924 HG13 VAL 30 3HG1 VAL 30 -6.089 -2.609 -11.416 925 HG21 VAL 30 3HG2 VAL 30 -8.026 -0.604 -10.013 926 HG22 VAL 30 1HG2 VAL 30 -6.316 -0.854 -9.647 927 HG23 VAL 30 2HG2 VAL 30 -7.525 -1.011 -8.371 928 H SER 31 H SER 31 -9.881 -4.264 -11.515 929 HA SER 31 HA SER 31 -9.499 -7.086 -10.720 930 HB2 SER 31 2HB SER 31 -11.776 -6.599 -11.518 931 HB3 SER 31 1HB SER 31 -11.143 -5.802 -12.963 932 HG SER 31 HG SER 31 -11.496 -8.468 -12.420 933 H TRP 32 H TRP 32 -7.660 -8.016 -11.590 934 HA TRP 32 HA TRP 32 -6.228 -6.586 -13.743 935 HB2 TRP 32 2HB TRP 32 -5.292 -8.520 -11.577 936 HB3 TRP 32 1HB TRP 32 -4.273 -8.080 -12.945 937 HD1 TRP 32 HD1 TRP 32 -5.511 -6.713 -9.596 938 HE1 TRP 32 HE1 TRP 32 -4.257 -4.526 -9.088 939 HE3 TRP 32 HE3 TRP 32 -3.297 -5.970 -14.157 940 HZ2 TRP 32 HZ2 TRP 32 -2.642 -2.659 -10.479 941 HZ3 TRP 32 HZ3 TRP 32 -1.916 -3.959 -14.490 942 HH2 TRP 32 HH2 TRP 32 -1.595 -2.334 -12.687 943 H ASN 33 H ASN 33 -6.621 -7.359 -15.647 944 HA ASN 33 HA ASN 33 -6.868 -8.665 -17.460 945 HB2 ASN 33 2HB ASN 33 -4.550 -9.294 -16.381 946 HB3 ASN 33 1HB ASN 33 -5.306 -10.844 -16.042 947 HD21 ASN 33 1HD2 ASN 33 -3.765 -11.838 -17.422 948 HD22 ASN 33 2HD2 ASN 33 -3.820 -11.663 -19.138 949 H ASP 34 H ASP 34 -9.079 -8.663 -16.020 950 HA ASP 34 HA ASP 34 -11.130 -9.556 -15.798 951 HB2 ASP 34 2HB ASP 34 -10.086 -11.736 -17.650 952 HB3 ASP 34 1HB ASP 34 -11.782 -11.485 -17.244 953 H ALA 35 H ALA 35 -8.917 -10.423 -13.939 954 HA ALA 35 HA ALA 35 -9.852 -13.031 -12.953 955 HB1 ALA 35 3HB ALA 35 -7.427 -12.629 -13.004 956 HB2 ALA 35 1HB ALA 35 -7.976 -12.818 -11.338 957 HB3 ALA 35 2HB ALA 35 -7.617 -11.210 -11.974 958 H GLU 36 H GLU 36 -10.085 -13.111 -10.514 959 HA GLU 36 HA GLU 36 -12.325 -11.678 -9.621 960 HB2 GLU 36 2HB GLU 36 -10.239 -13.123 -7.930 961 HB3 GLU 36 1HB GLU 36 -11.808 -12.583 -7.337 962 HG2 GLU 36 2HG GLU 36 -12.884 -14.045 -9.101 963 HG3 GLU 36 1HG GLU 36 -11.283 -14.691 -9.448 964 HA PRO 37 HA PRO 37 -10.546 -7.680 -8.821 965 HB2 PRO 37 2HB PRO 37 -12.563 -6.506 -7.358 966 HB3 PRO 37 1HB PRO 37 -12.693 -6.811 -9.102 967 HG2 PRO 37 2HG PRO 37 -13.773 -8.452 -6.831 968 HG3 PRO 37 1HG PRO 37 -14.572 -7.962 -8.344 969 HD2 PRO 37 2HD PRO 37 -13.516 -10.431 -8.060 970 HD3 PRO 37 1HD PRO 37 -13.473 -9.573 -9.616 971 H LYS 38 H LYS 38 -9.265 -6.713 -7.317 972 HA LYS 38 HA LYS 38 -9.306 -7.570 -4.524 973 HB2 LYS 38 2HB LYS 38 -6.879 -8.084 -4.551 974 HB3 LYS 38 1HB LYS 38 -7.788 -9.200 -5.560 975 HG2 LYS 38 2HG LYS 38 -6.995 -8.105 -7.589 976 HG3 LYS 38 1HG LYS 38 -6.225 -6.828 -6.639 977 HD2 LYS 38 2HD LYS 38 -4.571 -8.514 -7.425 978 HD3 LYS 38 1HD LYS 38 -4.655 -8.442 -5.664 979 HE2 LYS 38 2HE LYS 38 -6.165 -10.449 -5.711 980 HE3 LYS 38 1HE LYS 38 -5.910 -10.554 -7.453 981 HZ1 LYS 38 3HZ LYS 38 -3.804 -10.762 -5.372 982 HZ2 LYS 38 1HZ LYS 38 -3.541 -10.833 -7.043 983 HZ3 LYS 38 2HZ LYS 38 -4.441 -12.040 -6.275 984 H TYR 39 H TYR 39 -7.396 -6.332 -3.440 985 HA TYR 39 HA TYR 39 -7.937 -3.543 -3.948 986 HB2 TYR 39 2HB TYR 39 -6.205 -4.861 -1.813 987 HB3 TYR 39 1HB TYR 39 -6.808 -3.200 -1.801 988 HD1 TYR 39 HD2 TYR 39 -9.221 -2.749 -1.411 989 HD2 TYR 39 HD1 TYR 39 -7.710 -6.743 -1.270 990 HE1 TYR 39 HE2 TYR 39 -11.289 -3.496 -0.334 991 HE2 TYR 39 HE1 TYR 39 -9.795 -7.493 -0.202 992 HH TYR 39 HH TYR 39 -11.607 -6.384 1.224 993 H ASP 40 H ASP 40 -6.521 -2.067 -4.534 994 HA ASP 40 HA ASP 40 -3.660 -2.645 -4.945 995 HB2 ASP 40 2HB ASP 40 -4.922 -2.812 -7.159 996 HB3 ASP 40 1HB ASP 40 -5.364 -1.119 -6.979 997 H ILE 41 H ILE 41 -2.347 -0.924 -4.518 998 HA ILE 41 HA ILE 41 -3.519 1.631 -3.657 999 HB ILE 41 HB ILE 41 -3.358 0.451 -1.551 1000 HG12 ILE 41 2HG1 ILE 41 -0.959 2.327 -1.790 1001 HG13 ILE 41 1HG1 ILE 41 -2.620 2.839 -1.528 1002 HG21 ILE 41 1HG2 ILE 41 -0.470 -0.241 -2.194 1003 HG22 ILE 41 2HG2 ILE 41 -1.826 -1.368 -2.194 1004 HG23 ILE 41 3HG2 ILE 41 -1.308 -0.616 -0.685 1005 HD11 ILE 41 3HD1 ILE 41 -2.587 1.676 0.658 1006 HD12 ILE 41 1HD1 ILE 41 -1.378 2.953 0.518 1007 HD13 ILE 41 2HD1 ILE 41 -0.892 1.266 0.378 1008 H ARG 42 H ARG 42 -2.513 3.162 -4.674 1009 HA ARG 42 HA ARG 42 0.274 3.327 -5.265 1010 HB2 ARG 42 2HB ARG 42 0.517 2.592 -7.461 1011 HB3 ARG 42 1HB ARG 42 -0.641 1.424 -6.860 1012 HG2 ARG 42 2HG ARG 42 -2.465 2.833 -7.936 1013 HG3 ARG 42 1HG ARG 42 -1.180 3.786 -8.681 1014 HD2 ARG 42 2HD ARG 42 -1.947 0.910 -9.192 1015 HD3 ARG 42 1HD ARG 42 -1.748 2.221 -10.350 1016 HE ARG 42 HE ARG 42 0.619 1.941 -10.241 1017 HH11 ARG 42 1HH1 ARG 42 -1.113 -0.499 -8.386 1018 HH12 ARG 42 2HH1 ARG 42 0.237 -1.589 -8.339 1019 HH21 ARG 42 1HH2 ARG 42 2.407 0.531 -10.107 1020 HH22 ARG 42 2HH2 ARG 42 2.242 -1.003 -9.316 1021 H THR 43 H THR 43 0.571 5.012 -7.278 1022 HA THR 43 HA THR 43 -1.242 7.236 -6.705 1023 HB THR 43 HB THR 43 1.321 7.360 -8.360 1024 HG1 THR 43 HG1 THR 43 1.030 7.016 -5.600 1025 HG21 THR 43 3HG2 THR 43 1.360 9.701 -7.558 1026 HG22 THR 43 1HG2 THR 43 -0.101 9.410 -6.609 1027 HG23 THR 43 2HG2 THR 43 -0.169 9.356 -8.372 1028 H TRP 44 H TRP 44 -2.800 7.637 -8.173 1029 HA TRP 44 HA TRP 44 -2.595 6.681 -10.984 1030 HB2 TRP 44 2HB TRP 44 -5.060 7.177 -9.238 1031 HB3 TRP 44 1HB TRP 44 -5.140 6.867 -10.966 1032 HD1 TRP 44 HD1 TRP 44 -4.854 5.083 -7.628 1033 HE1 TRP 44 HE1 TRP 44 -5.095 2.552 -8.022 1034 HE3 TRP 44 HE3 TRP 44 -4.432 5.004 -12.723 1035 HZ2 TRP 44 HZ2 TRP 44 -5.045 0.752 -10.178 1036 HZ3 TRP 44 HZ3 TRP 44 -4.532 2.831 -13.877 1037 HH2 TRP 44 HH2 TRP 44 -4.832 0.746 -12.630 1038 H SER 45 H SER 45 -3.546 8.142 -12.543 1039 HA SER 45 HA SER 45 -3.514 11.004 -11.864 1040 HB2 SER 45 2HB SER 45 -3.978 9.483 -14.458 1041 HB3 SER 45 1HB SER 45 -4.232 11.224 -14.341 1042 HG SER 45 HG SER 45 -2.041 11.359 -13.565 1043 HA PRO 46 HA PRO 46 -7.986 11.332 -11.067 1044 HB2 PRO 46 2HB PRO 46 -8.651 13.694 -12.386 1045 HB3 PRO 46 1HB PRO 46 -7.812 13.641 -10.824 1046 HG2 PRO 46 2HG PRO 46 -6.629 13.977 -13.563 1047 HG3 PRO 46 1HG PRO 46 -6.271 14.870 -12.066 1048 HD2 PRO 46 2HD PRO 46 -4.648 12.909 -12.898 1049 HD3 PRO 46 1HD PRO 46 -4.990 13.127 -11.169 1050 H ASP 47 H ASP 47 -6.754 11.478 -14.318 1051 HA ASP 47 HA ASP 47 -9.209 10.796 -15.704 1052 HB2 ASP 47 2HB ASP 47 -6.341 10.709 -16.750 1053 HB3 ASP 47 1HB ASP 47 -7.809 10.806 -17.710 1054 H HIS 48 H HIS 48 -6.888 9.085 -13.924 1055 HA HIS 48 HA HIS 48 -6.379 6.923 -13.502 1056 HB2 HIS 48 2HB HIS 48 -9.052 6.338 -14.821 1057 HB3 HIS 48 1HB HIS 48 -8.168 5.251 -13.756 1058 HD1 HIS 48 HD1 HIS 48 -11.044 7.095 -13.511 1059 HD2 HIS 48 HD2 HIS 48 -7.598 7.058 -11.182 1060 HE1 HIS 48 HE1 HIS 48 -11.715 8.040 -11.286 1061 HE2 HIS 48 HE2 HIS 48 -9.705 7.677 -9.827 1062 H GLU 49 H GLU 49 -5.767 8.069 -16.273 1063 HA GLU 49 HA GLU 49 -5.497 5.679 -17.958 1064 HB2 GLU 49 2HB GLU 49 -4.733 7.269 -19.700 1065 HB3 GLU 49 1HB GLU 49 -6.273 7.782 -19.016 1066 HG2 GLU 49 2HG GLU 49 -5.116 9.462 -17.630 1067 HG3 GLU 49 1HG GLU 49 -3.564 8.928 -18.271 1068 H LYS 50 H LYS 50 -3.719 7.529 -15.708 1069 HA LYS 50 HA LYS 50 -1.137 6.284 -16.443 1070 HB2 LYS 50 2HB LYS 50 -1.697 9.017 -15.251 1071 HB3 LYS 50 1HB LYS 50 -0.095 8.328 -15.334 1072 HG2 LYS 50 2HG LYS 50 -1.658 8.676 -17.885 1073 HG3 LYS 50 1HG LYS 50 -0.947 10.092 -17.114 1074 HD2 LYS 50 2HD LYS 50 0.603 9.297 -18.782 1075 HD3 LYS 50 1HD LYS 50 1.287 8.965 -17.195 1076 HE2 LYS 50 2HE LYS 50 0.637 6.611 -17.385 1077 HE3 LYS 50 1HE LYS 50 -0.124 6.927 -18.947 1078 HZ1 LYS 50 3HZ LYS 50 2.044 7.549 -19.821 1079 HZ2 LYS 50 1HZ LYS 50 2.068 5.973 -19.217 1080 HZ3 LYS 50 2HZ LYS 50 2.767 7.229 -18.327 1081 H MET 51 H MET 51 0.226 5.767 -14.709 1082 HA MET 51 HA MET 51 -0.705 5.656 -11.976 1083 HB2 MET 51 2HB MET 51 -0.571 3.179 -11.810 1084 HB3 MET 51 1HB MET 51 -1.852 3.682 -12.901 1085 HG2 MET 51 2HG MET 51 -0.423 3.135 -14.838 1086 HG3 MET 51 1HG MET 51 0.868 2.636 -13.742 1087 HE1 MET 51 3HE MET 51 -0.426 -0.776 -15.269 1088 HE2 MET 51 1HE MET 51 0.986 0.250 -15.022 1089 HE3 MET 51 2HE MET 51 -0.310 0.775 -16.098 1090 H GLY 52 H GLY 52 1.006 4.470 -10.610 1091 HA2 GLY 52 2HA GLY 52 3.729 4.453 -11.732 1092 HA3 GLY 52 1HA GLY 52 3.372 5.645 -10.485 1093 H LYS 53 H LYS 53 4.608 4.850 -8.794 1094 HA LYS 53 HA LYS 53 5.052 2.095 -8.314 1095 HB2 LYS 53 2HB LYS 53 5.435 4.442 -6.408 1096 HB3 LYS 53 1HB LYS 53 6.052 2.815 -6.155 1097 HG2 LYS 53 2HG LYS 53 7.421 3.105 -8.271 1098 HG3 LYS 53 1HG LYS 53 6.932 4.804 -8.264 1099 HD2 LYS 53 2HD LYS 53 7.932 5.063 -5.989 1100 HD3 LYS 53 1HD LYS 53 8.448 3.376 -6.037 1101 HE2 LYS 53 2HE LYS 53 10.350 4.724 -6.580 1102 HE3 LYS 53 1HE LYS 53 9.827 3.956 -8.080 1103 HZ1 LYS 53 3HZ LYS 53 8.710 6.005 -8.689 1104 HZ2 LYS 53 1HZ LYS 53 10.351 6.285 -8.397 1105 HZ3 LYS 53 2HZ LYS 53 9.196 6.735 -7.247 1106 H GLY 54 H GLY 54 3.956 0.609 -7.077 1107 HA2 GLY 54 2HA GLY 54 2.536 1.090 -4.737 1108 HA3 GLY 54 1HA GLY 54 1.374 1.065 -6.061 1109 H ILE 55 H ILE 55 0.591 -0.851 -4.792 1110 HA ILE 55 HA ILE 55 1.782 -3.331 -5.773 1111 HB ILE 55 HB ILE 55 3.088 -2.876 -3.718 1112 HG12 ILE 55 2HG1 ILE 55 1.158 -5.214 -3.341 1113 HG13 ILE 55 1HG1 ILE 55 2.645 -5.251 -4.277 1114 HG21 ILE 55 1HG2 ILE 55 0.457 -2.906 -2.196 1115 HG22 ILE 55 2HG2 ILE 55 1.459 -1.488 -2.499 1116 HG23 ILE 55 3HG2 ILE 55 2.066 -2.789 -1.476 1117 HD11 ILE 55 3HD1 ILE 55 3.922 -4.867 -2.207 1118 HD12 ILE 55 1HD1 ILE 55 2.959 -6.347 -2.169 1119 HD13 ILE 55 2HD1 ILE 55 2.411 -4.919 -1.294 1120 H THR 56 H THR 56 0.429 -5.151 -5.533 1121 HA THR 56 HA THR 56 -2.457 -4.652 -5.259 1122 HB THR 56 HB THR 56 -2.587 -7.106 -6.086 1123 HG1 THR 56 HG1 THR 56 -0.555 -7.686 -7.242 1124 HG21 THR 56 3HG2 THR 56 -3.003 -5.205 -7.596 1125 HG22 THR 56 1HG2 THR 56 -2.178 -6.523 -8.428 1126 HG23 THR 56 2HG2 THR 56 -1.272 -5.091 -7.935 1127 H LEU 57 H LEU 57 -3.675 -5.623 -3.694 1128 HA LEU 57 HA LEU 57 -2.475 -7.482 -1.744 1129 HB2 LEU 57 2HB LEU 57 -4.389 -5.175 -1.136 1130 HB3 LEU 57 1HB LEU 57 -3.822 -6.356 0.032 1131 HG LEU 57 HG LEU 57 -2.119 -4.245 -1.351 1132 HD11 LEU 57 1HD1 LEU 57 -3.573 -3.295 0.377 1133 HD12 LEU 57 2HD1 LEU 57 -1.889 -3.250 0.893 1134 HD13 LEU 57 3HD1 LEU 57 -2.980 -4.472 1.554 1135 HD21 LEU 57 3HD2 LEU 57 -0.266 -5.016 0.118 1136 HD22 LEU 57 1HD2 LEU 57 -0.777 -6.257 -1.028 1137 HD23 LEU 57 2HD2 LEU 57 -1.276 -6.360 0.660 1138 H SER 58 H SER 58 -3.770 -9.253 -1.422 1139 HA SER 58 HA SER 58 -6.279 -9.524 -2.931 1140 HB2 SER 58 2HB SER 58 -4.770 -11.541 -1.208 1141 HB3 SER 58 1HB SER 58 -6.144 -11.904 -2.264 1142 HG SER 58 HG SER 58 -3.482 -11.411 -2.880 1143 H GLU 59 H GLU 59 -8.057 -10.840 -1.585 1144 HA GLU 59 HA GLU 59 -9.138 -9.329 0.467 1145 HB2 GLU 59 2HB GLU 59 -9.497 -12.315 -0.042 1146 HB3 GLU 59 1HB GLU 59 -10.598 -11.301 0.880 1147 HG2 GLU 59 2HG GLU 59 -9.981 -10.940 -2.056 1148 HG3 GLU 59 1HG GLU 59 -11.364 -11.825 -1.438 1149 H GLU 60 H GLU 60 -7.149 -12.262 0.683 1150 HA GLU 60 HA GLU 60 -7.153 -12.669 3.456 1151 HB2 GLU 60 2HB GLU 60 -4.897 -13.365 1.515 1152 HB3 GLU 60 1HB GLU 60 -5.232 -14.137 3.064 1153 HG2 GLU 60 2HG GLU 60 -7.405 -14.949 2.156 1154 HG3 GLU 60 1HG GLU 60 -6.991 -14.239 0.598 1155 H GLU 61 H GLU 61 -4.741 -11.045 1.407 1156 HA GLU 61 HA GLU 61 -2.865 -10.288 3.351 1157 HB2 GLU 61 2HB GLU 61 -3.507 -8.909 0.705 1158 HB3 GLU 61 1HB GLU 61 -2.033 -8.674 1.645 1159 HG2 GLU 61 2HG GLU 61 -1.415 -11.031 1.287 1160 HG3 GLU 61 1HG GLU 61 -2.906 -11.276 0.365 1161 H PHE 62 H PHE 62 -5.428 -8.394 1.829 1162 HA PHE 62 HA PHE 62 -5.107 -6.015 3.302 1163 HB2 PHE 62 2HB PHE 62 -6.210 -6.187 1.070 1164 HB3 PHE 62 1HB PHE 62 -7.568 -7.030 1.810 1165 HD1 PHE 62 HD2 PHE 62 -5.692 -3.801 1.848 1166 HD2 PHE 62 HD1 PHE 62 -9.377 -5.776 2.728 1167 HE1 PHE 62 HE2 PHE 62 -6.765 -1.634 2.262 1168 HE2 PHE 62 HE1 PHE 62 -10.440 -3.600 3.145 1169 HZ PHE 62 HZ PHE 62 -9.138 -1.530 2.900 1170 H GLY 63 H GLY 63 -7.147 -8.907 3.842 1171 HA2 GLY 63 2HA GLY 63 -8.637 -8.051 6.036 1172 HA3 GLY 63 1HA GLY 63 -8.100 -9.704 5.759 1173 H VAL 64 H VAL 64 -5.402 -9.585 5.955 1174 HA VAL 64 HA VAL 64 -4.772 -9.432 8.692 1175 HB VAL 64 HB VAL 64 -2.905 -9.331 6.278 1176 HG11 VAL 64 1HG1 VAL 64 -2.202 -9.953 9.167 1177 HG12 VAL 64 2HG1 VAL 64 -1.723 -8.516 8.263 1178 HG13 VAL 64 3HG1 VAL 64 -1.113 -10.101 7.790 1179 HG21 VAL 64 3HG2 VAL 64 -3.745 -11.720 7.971 1180 HG22 VAL 64 1HG2 VAL 64 -2.590 -11.752 6.636 1181 HG23 VAL 64 2HG2 VAL 64 -4.285 -11.376 6.328 1182 H LEU 65 H LEU 65 -4.341 -7.011 6.046 1183 HA LEU 65 HA LEU 65 -2.882 -5.059 7.396 1184 HB2 LEU 65 2HB LEU 65 -3.440 -5.130 4.909 1185 HB3 LEU 65 1HB LEU 65 -5.042 -4.540 5.310 1186 HG LEU 65 HG LEU 65 -3.874 -2.477 6.346 1187 HD11 LEU 65 1HD1 LEU 65 -1.486 -3.548 4.816 1188 HD12 LEU 65 2HD1 LEU 65 -1.626 -3.394 6.569 1189 HD13 LEU 65 3HD1 LEU 65 -1.618 -1.952 5.559 1190 HD21 LEU 65 3HD2 LEU 65 -5.051 -2.368 4.195 1191 HD22 LEU 65 1HD2 LEU 65 -3.599 -2.918 3.352 1192 HD23 LEU 65 2HD2 LEU 65 -3.609 -1.356 4.175 1193 H LEU 66 H LEU 66 -6.453 -5.288 6.988 1194 HA LEU 66 HA LEU 66 -7.280 -3.088 8.474 1195 HB2 LEU 66 2HB LEU 66 -8.634 -5.779 8.017 1196 HB3 LEU 66 1HB LEU 66 -9.457 -4.389 8.713 1197 HG LEU 66 HG LEU 66 -8.263 -4.482 5.919 1198 HD11 LEU 66 1HD1 LEU 66 -10.578 -4.517 5.118 1199 HD12 LEU 66 2HD1 LEU 66 -11.165 -4.604 6.780 1200 HD13 LEU 66 3HD1 LEU 66 -10.220 -5.933 6.105 1201 HD21 LEU 66 3HD2 LEU 66 -9.430 -2.340 5.566 1202 HD22 LEU 66 1HD2 LEU 66 -8.213 -2.217 6.836 1203 HD23 LEU 66 2HD2 LEU 66 -9.922 -2.324 7.262 1204 H LYS 67 H LYS 67 -6.730 -6.426 9.490 1205 HA LYS 67 HA LYS 67 -7.594 -6.372 12.158 1206 HB2 LYS 67 2HB LYS 67 -5.508 -7.987 10.659 1207 HB3 LYS 67 1HB LYS 67 -5.749 -8.241 12.384 1208 HG2 LYS 67 2HG LYS 67 -7.939 -9.074 12.078 1209 HG3 LYS 67 1HG LYS 67 -8.039 -8.455 10.427 1210 HD2 LYS 67 2HD LYS 67 -7.651 -11.009 10.761 1211 HD3 LYS 67 1HD LYS 67 -6.677 -10.165 9.559 1212 HE2 LYS 67 2HE LYS 67 -5.357 -11.771 10.925 1213 HE3 LYS 67 1HE LYS 67 -4.765 -10.119 11.071 1214 HZ1 LYS 67 3HZ LYS 67 -6.560 -11.431 13.036 1215 HZ2 LYS 67 1HZ LYS 67 -5.803 -9.929 13.203 1216 HZ3 LYS 67 2HZ LYS 67 -4.881 -11.346 13.197 1217 H GLU 68 H GLU 68 -4.245 -6.064 10.945 1218 HA GLU 68 HA GLU 68 -3.232 -5.620 13.592 1219 HB2 GLU 68 2HB GLU 68 -1.738 -5.422 10.961 1220 HB3 GLU 68 1HB GLU 68 -1.030 -5.617 12.554 1221 HG2 GLU 68 2HG GLU 68 -2.681 -7.645 11.031 1222 HG3 GLU 68 1HG GLU 68 -0.959 -7.729 11.371 1223 H LEU 69 H LEU 69 -4.045 -3.538 10.869 1224 HA LEU 69 HA LEU 69 -3.006 -1.089 11.922 1225 HB2 LEU 69 2HB LEU 69 -5.333 -1.601 10.009 1226 HB3 LEU 69 1HB LEU 69 -4.813 0.011 10.472 1227 HG LEU 69 HG LEU 69 -3.224 -2.017 8.860 1228 HD11 LEU 69 1HD1 LEU 69 -4.300 0.716 8.110 1229 HD12 LEU 69 2HD1 LEU 69 -4.932 -0.841 7.570 1230 HD13 LEU 69 3HD1 LEU 69 -3.321 -0.328 7.076 1231 HD21 LEU 69 3HD2 LEU 69 -2.311 0.710 9.806 1232 HD22 LEU 69 1HD2 LEU 69 -1.455 -0.359 8.694 1233 HD23 LEU 69 2HD2 LEU 69 -1.695 -0.851 10.369 1234 H GLY 70 H GLY 70 -6.137 -2.797 12.215 1235 HA2 GLY 70 2HA GLY 70 -7.533 -1.008 13.864 1236 HA3 GLY 70 1HA GLY 70 -7.761 -2.745 13.842 1237 H ASN 71 H ASN 71 -5.171 -3.476 14.710 1238 HA ASN 71 HA ASN 71 -5.242 -3.202 17.570 1239 HB2 ASN 71 2HB ASN 71 -3.046 -4.141 15.674 1240 HB3 ASN 71 1HB ASN 71 -2.795 -4.080 17.412 1241 HD21 ASN 71 1HD2 ASN 71 -4.464 -5.721 14.832 1242 HD22 ASN 71 2HD2 ASN 71 -4.970 -7.075 15.764 1243 H LYS 72 H LYS 72 -2.933 -1.905 15.228 1244 HA LYS 72 HA LYS 72 -1.731 0.101 16.717 1245 HB2 LYS 72 2HB LYS 72 -2.362 0.172 13.740 1246 HB3 LYS 72 1HB LYS 72 -1.212 1.241 14.549 1247 HG2 LYS 72 2HG LYS 72 0.145 -0.681 15.215 1248 HG3 LYS 72 1HG LYS 72 -1.012 -1.775 14.455 1249 HD2 LYS 72 2HD LYS 72 -0.504 -0.744 12.246 1250 HD3 LYS 72 1HD LYS 72 0.686 0.303 13.031 1251 HE2 LYS 72 2HE LYS 72 0.766 -2.724 12.898 1252 HE3 LYS 72 1HE LYS 72 1.797 -1.608 12.010 1253 HZ1 LYS 72 3HZ LYS 72 1.738 -1.954 14.955 1254 HZ2 LYS 72 1HZ LYS 72 2.701 -0.839 14.131 1255 HZ3 LYS 72 2HZ LYS 72 2.948 -2.495 13.914 1256 H LEU 73 H LEU 73 -4.996 0.209 15.450 1257 HA LEU 73 HA LEU 73 -5.384 3.035 15.922 1258 HB2 LEU 73 2HB LEU 73 -7.341 0.787 15.296 1259 HB3 LEU 73 1HB LEU 73 -7.851 2.453 15.543 1260 HG LEU 73 HG LEU 73 -6.022 1.449 13.332 1261 HD11 LEU 73 1HD1 LEU 73 -8.365 0.877 12.943 1262 HD12 LEU 73 2HD1 LEU 73 -7.817 2.099 11.797 1263 HD13 LEU 73 3HD1 LEU 73 -8.834 2.565 13.165 1264 HD21 LEU 73 3HD2 LEU 73 -5.282 3.656 14.050 1265 HD22 LEU 73 1HD2 LEU 73 -6.925 4.286 13.897 1266 HD23 LEU 73 2HD2 LEU 73 -6.044 3.746 12.470 1267 H GLU 74 H GLU 74 -5.648 0.147 17.876 1268 HA GLU 74 HA GLU 74 -7.110 1.229 20.058 1269 HB2 GLU 74 2HB GLU 74 -4.859 -0.837 20.173 1270 HB3 GLU 74 1HB GLU 74 -6.044 -0.526 21.437 1271 HG2 GLU 74 2HG GLU 74 -7.856 -1.293 19.921 1272 HG3 GLU 74 1HG GLU 74 -6.649 -1.633 18.679 1273 H HIS 75 H HIS 75 -3.611 1.148 19.367 1274 HA HIS 75 HA HIS 75 -2.863 3.244 21.155 1275 HB2 HIS 75 2HB HIS 75 -1.602 2.566 18.446 1276 HB3 HIS 75 1HB HIS 75 -0.846 3.489 19.743 1277 HD1 HIS 75 HD1 HIS 75 0.442 2.170 21.466 1278 HD2 HIS 75 HD2 HIS 75 -1.944 -0.242 19.067 1279 HE1 HIS 75 HE1 HIS 75 1.034 -0.192 22.071 1280 HE2 HIS 75 HE2 HIS 75 -0.327 -1.626 20.524 1281 H HIS 76 H HIS 76 -4.187 5.060 21.095 1282 HA HIS 76 HA HIS 76 -5.740 5.710 18.827 1283 HB2 HIS 76 2HB HIS 76 -6.378 6.134 21.261 1284 HB3 HIS 76 1HB HIS 76 -5.293 7.518 21.236 1285 HD1 HIS 76 HD1 HIS 76 -7.140 9.270 21.536 1286 HD2 HIS 76 HD2 HIS 76 -7.787 6.752 18.295 1287 HE1 HIS 76 HE1 HIS 76 -9.040 10.285 20.257 1288 HE2 HIS 76 HE2 HIS 76 -9.252 8.874 18.200 1289 H HIS 77 H HIS 77 -4.624 6.270 17.049 1290 HA HIS 77 HA HIS 77 -2.618 8.271 16.805 1291 HB2 HIS 77 2HB HIS 77 -4.485 6.980 14.773 1292 HB3 HIS 77 1HB HIS 77 -3.363 8.252 14.308 1293 HD1 HIS 77 HD1 HIS 77 -1.062 7.556 13.710 1294 HD2 HIS 77 HD2 HIS 77 -3.107 4.569 15.758 1295 HE1 HIS 77 HE1 HIS 77 0.406 5.527 13.588 1296 HE2 HIS 77 HE2 HIS 77 -0.759 3.800 14.997 1297 H HIS 78 H HIS 78 -2.786 10.416 16.733 1298 HA HIS 78 HA HIS 78 -5.433 11.725 16.713 1299 HB2 HIS 78 2HB HIS 78 -2.667 12.779 17.467 1300 HB3 HIS 78 1HB HIS 78 -4.124 13.768 17.437 1301 HD1 HIS 78 HD1 HIS 78 -3.656 14.219 19.983 1302 HD2 HIS 78 HD2 HIS 78 -4.613 10.277 19.071 1303 HE1 HIS 78 HE1 HIS 78 -4.222 13.134 22.170 1304 HE2 HIS 78 HE2 HIS 78 -4.619 10.730 21.608 1305 H HIS 79 H HIS 79 -6.079 12.084 14.653 1306 HA HIS 79 HA HIS 79 -4.574 13.902 12.983 1307 HB2 HIS 79 2HB HIS 79 -3.659 11.632 12.287 1308 HB3 HIS 79 1HB HIS 79 -5.284 11.175 11.786 1309 HD1 HIS 79 HD1 HIS 79 -6.161 12.172 9.575 1310 HD2 HIS 79 HD2 HIS 79 -2.406 13.573 10.650 1311 HE1 HIS 79 HE1 HIS 79 -5.325 13.434 7.580 1312 HE2 HIS 79 HE2 HIS 79 -3.214 14.520 8.389 1313 H HIS 80 H HIS 80 -5.966 15.238 12.040 1314 HA HIS 80 HA HIS 80 -8.707 15.317 12.269 1315 HB2 HIS 80 2HB HIS 80 -7.444 17.297 11.584 1316 HB3 HIS 80 1HB HIS 80 -6.966 16.526 10.072 1317 HD1 HIS 80 HD1 HIS 80 -9.936 18.146 11.751 1318 HD2 HIS 80 HD2 HIS 80 -8.892 16.638 8.015 1319 HE1 HIS 80 HE1 HIS 80 -11.785 18.829 10.197 1320 HE2 HIS 80 HE2 HIS 80 -11.046 18.058 7.924 Start of MODEL 5 1 H1 MET 1 1H MET 1 25.042 14.234 -1.986 2 H2 MET 1 2H MET 1 24.638 15.310 -3.224 3 H3 MET 1 3H MET 1 25.276 13.788 -3.600 4 HA MET 1 HA MET 1 22.669 14.283 -2.278 5 HB2 MET 1 2HB MET 1 23.214 13.183 -5.076 6 HB3 MET 1 1HB MET 1 21.634 13.481 -4.362 7 HG2 MET 1 2HG MET 1 22.216 15.923 -4.317 8 HG3 MET 1 1HG MET 1 23.665 15.528 -5.242 9 HE1 MET 1 3HE MET 1 22.155 12.996 -6.986 10 HE2 MET 1 1HE MET 1 23.401 14.057 -7.651 11 HE3 MET 1 2HE MET 1 21.852 13.896 -8.472 12 H ALA 2 H ALA 2 21.324 12.185 -2.496 13 HA ALA 2 HA ALA 2 22.889 9.770 -1.949 14 HB1 ALA 2 3HB ALA 2 19.878 10.223 -1.978 15 HB2 ALA 2 1HB ALA 2 20.910 10.198 -0.546 16 HB3 ALA 2 2HB ALA 2 20.687 8.730 -1.499 17 H ASP 3 H ASP 3 23.886 9.685 -3.995 18 HA ASP 3 HA ASP 3 22.573 9.599 -6.515 19 HB2 ASP 3 2HB ASP 3 25.309 8.607 -5.613 20 HB3 ASP 3 1HB ASP 3 24.794 8.590 -7.295 21 H LYS 4 H LYS 4 22.796 7.376 -4.072 22 HA LYS 4 HA LYS 4 21.073 5.526 -5.534 23 HB2 LYS 4 2HB LYS 4 23.345 4.444 -5.469 24 HB3 LYS 4 1HB LYS 4 23.316 4.531 -3.708 25 HG2 LYS 4 2HG LYS 4 21.452 2.990 -3.582 26 HG3 LYS 4 1HG LYS 4 21.207 3.059 -5.330 27 HD2 LYS 4 2HD LYS 4 22.315 0.952 -4.669 28 HD3 LYS 4 1HD LYS 4 23.365 1.927 -5.700 29 HE2 LYS 4 2HE LYS 4 24.608 2.694 -3.717 30 HE3 LYS 4 1HE LYS 4 23.537 1.758 -2.673 31 HZ1 LYS 4 3HZ LYS 4 25.324 0.630 -4.757 32 HZ2 LYS 4 1HZ LYS 4 24.316 -0.253 -3.732 33 HZ3 LYS 4 2HZ LYS 4 25.619 0.611 -3.090 34 H LEU 5 H LEU 5 19.414 4.688 -4.094 35 HA LEU 5 HA LEU 5 18.896 6.758 -2.098 36 HB2 LEU 5 2HB LEU 5 16.996 4.548 -2.963 37 HB3 LEU 5 1HB LEU 5 16.608 6.010 -2.063 38 HG LEU 5 HG LEU 5 17.283 5.755 -5.016 39 HD11 LEU 5 1HD1 LEU 5 15.112 6.825 -5.334 40 HD12 LEU 5 2HD1 LEU 5 14.898 6.957 -3.586 41 HD13 LEU 5 3HD1 LEU 5 14.950 5.366 -4.355 42 HD21 LEU 5 3HD2 LEU 5 17.012 8.393 -3.551 43 HD22 LEU 5 1HD2 LEU 5 17.278 8.153 -5.277 44 HD23 LEU 5 2HD2 LEU 5 18.539 7.717 -4.125 45 H LYS 6 H LYS 6 18.293 6.307 0.018 46 HA LYS 6 HA LYS 6 19.585 3.888 1.154 47 HB2 LYS 6 2HB LYS 6 19.403 6.751 2.223 48 HB3 LYS 6 1HB LYS 6 19.970 5.391 3.185 49 HG2 LYS 6 2HG LYS 6 21.257 6.359 0.618 50 HG3 LYS 6 1HG LYS 6 21.824 6.741 2.243 51 HD2 LYS 6 2HD LYS 6 21.648 3.932 1.082 52 HD3 LYS 6 1HD LYS 6 23.120 4.901 1.166 53 HE2 LYS 6 2HE LYS 6 23.032 4.897 3.613 54 HE3 LYS 6 1HE LYS 6 21.490 4.038 3.582 55 HZ1 LYS 6 3HZ LYS 6 22.595 2.148 2.575 56 HZ2 LYS 6 1HZ LYS 6 23.347 2.549 4.035 57 HZ3 LYS 6 2HZ LYS 6 24.070 2.965 2.568 58 H PHE 7 H PHE 7 18.367 2.686 2.561 59 HA PHE 7 HA PHE 7 15.763 3.722 3.480 60 HB2 PHE 7 2HB PHE 7 14.810 1.441 3.015 61 HB3 PHE 7 1HB PHE 7 15.278 2.292 1.556 62 HD1 PHE 7 HD1 PHE 7 17.405 1.621 0.344 63 HD2 PHE 7 HD2 PHE 7 15.800 -0.689 3.566 64 HE1 PHE 7 HE1 PHE 7 18.748 -0.315 -0.364 65 HE2 PHE 7 HE2 PHE 7 17.143 -2.610 2.849 66 HZ PHE 7 HZ PHE 7 18.613 -2.434 0.889 67 H GLU 8 H GLU 8 15.543 3.401 5.675 68 HA GLU 8 HA GLU 8 17.117 1.255 6.966 69 HB2 GLU 8 2HB GLU 8 18.156 3.444 7.524 70 HB3 GLU 8 1HB GLU 8 16.591 4.084 8.017 71 HG2 GLU 8 2HG GLU 8 16.499 2.402 9.853 72 HG3 GLU 8 1HG GLU 8 18.091 1.812 9.375 73 H ILE 9 H ILE 9 15.610 -0.183 7.681 74 HA ILE 9 HA ILE 9 12.818 0.571 7.785 75 HB ILE 9 HB ILE 9 14.176 -2.094 8.396 76 HG12 ILE 9 2HG1 ILE 9 12.484 -1.117 6.046 77 HG13 ILE 9 1HG1 ILE 9 14.207 -1.464 6.009 78 HG21 ILE 9 1HG2 ILE 9 11.192 -1.483 8.338 79 HG22 ILE 9 2HG2 ILE 9 12.127 -1.897 9.775 80 HG23 ILE 9 3HG2 ILE 9 11.904 -3.090 8.496 81 HD11 ILE 9 3HD1 ILE 9 12.960 -3.208 4.926 82 HD12 ILE 9 1HD1 ILE 9 11.984 -3.470 6.372 83 HD13 ILE 9 2HD1 ILE 9 13.711 -3.841 6.390 84 H ILE 10 H ILE 10 12.116 1.645 9.398 85 HA ILE 10 HA ILE 10 13.483 1.973 11.912 86 HB ILE 10 HB ILE 10 10.812 3.098 10.941 87 HG12 ILE 10 2HG1 ILE 10 12.714 3.823 9.519 88 HG13 ILE 10 1HG1 ILE 10 12.060 5.172 10.433 89 HG21 ILE 10 1HG2 ILE 10 12.509 3.962 13.315 90 HG22 ILE 10 2HG2 ILE 10 10.935 3.165 13.390 91 HG23 ILE 10 3HG2 ILE 10 11.067 4.793 12.729 92 HD11 ILE 10 3HD1 ILE 10 14.472 5.269 10.362 93 HD12 ILE 10 1HD1 ILE 10 14.594 3.659 11.068 94 HD13 ILE 10 2HD1 ILE 10 13.938 4.995 12.017 95 H GLU 11 H GLU 11 10.540 0.427 10.655 96 HA GLU 11 HA GLU 11 10.442 -1.442 12.856 97 HB2 GLU 11 2HB GLU 11 9.333 0.565 13.864 98 HB3 GLU 11 1HB GLU 11 8.160 0.570 12.557 99 HG2 GLU 11 2HG GLU 11 7.350 -1.660 13.314 100 HG3 GLU 11 1HG GLU 11 8.500 -1.600 14.649 101 H GLU 12 H GLU 12 9.098 -3.195 12.391 102 HA GLU 12 HA GLU 12 7.795 -3.334 9.732 103 HB2 GLU 12 2HB GLU 12 8.530 -5.502 11.744 104 HB3 GLU 12 1HB GLU 12 7.537 -5.807 10.319 105 HG2 GLU 12 2HG GLU 12 9.422 -5.047 8.876 106 HG3 GLU 12 1HG GLU 12 10.404 -4.832 10.323 107 H LEU 13 H LEU 13 5.634 -3.111 9.624 108 HA LEU 13 HA LEU 13 4.189 -2.697 12.160 109 HB2 LEU 13 2HB LEU 13 3.309 -2.052 9.322 110 HB3 LEU 13 1HB LEU 13 2.475 -1.588 10.798 111 HG LEU 13 HG LEU 13 5.165 -0.555 9.829 112 HD11 LEU 13 1HD1 LEU 13 2.504 0.840 10.212 113 HD12 LEU 13 2HD1 LEU 13 3.260 0.417 8.675 114 HD13 LEU 13 3HD1 LEU 13 4.014 1.614 9.721 115 HD21 LEU 13 3HD2 LEU 13 5.182 0.903 11.818 116 HD22 LEU 13 1HD2 LEU 13 5.287 -0.802 12.250 117 HD23 LEU 13 2HD2 LEU 13 3.763 0.065 12.447 118 H ILE 14 H ILE 14 3.568 -4.244 9.004 119 HA ILE 14 HA ILE 14 2.096 -6.460 10.271 120 HB ILE 14 HB ILE 14 0.920 -4.897 7.906 121 HG12 ILE 14 2HG1 ILE 14 -0.007 -4.765 10.811 122 HG13 ILE 14 1HG1 ILE 14 0.862 -3.486 9.976 123 HG21 ILE 14 1HG2 ILE 14 -1.108 -6.247 8.335 124 HG22 ILE 14 2HG2 ILE 14 -0.299 -7.052 9.678 125 HG23 ILE 14 3HG2 ILE 14 0.284 -7.292 8.031 126 HD11 ILE 14 3HD1 ILE 14 -1.892 -4.496 9.298 127 HD12 ILE 14 1HD1 ILE 14 -1.005 -3.243 8.421 128 HD13 ILE 14 2HD1 ILE 14 -1.469 -2.983 10.100 129 H VAL 15 H VAL 15 2.951 -8.297 9.395 130 HA VAL 15 HA VAL 15 4.049 -8.334 6.680 131 HB VAL 15 HB VAL 15 3.697 -10.630 8.669 132 HG11 VAL 15 1HG1 VAL 15 3.783 -11.458 6.362 133 HG12 VAL 15 2HG1 VAL 15 5.260 -11.889 7.222 134 HG13 VAL 15 3HG1 VAL 15 5.272 -10.554 6.066 135 HG21 VAL 15 3HG2 VAL 15 6.123 -10.426 9.088 136 HG22 VAL 15 1HG2 VAL 15 5.263 -8.951 9.533 137 HG23 VAL 15 2HG2 VAL 15 6.193 -9.012 8.033 138 H LEU 16 H LEU 16 2.726 -8.586 5.024 139 HA LEU 16 HA LEU 16 -0.082 -9.386 5.354 140 HB2 LEU 16 2HB LEU 16 1.352 -8.262 2.907 141 HB3 LEU 16 1HB LEU 16 -0.385 -8.475 3.082 142 HG LEU 16 HG LEU 16 1.337 -6.530 4.665 143 HD11 LEU 16 1HD1 LEU 16 0.981 -5.807 2.351 144 HD12 LEU 16 2HD1 LEU 16 0.101 -4.772 3.473 145 HD13 LEU 16 3HD1 LEU 16 -0.764 -5.999 2.539 146 HD21 LEU 16 3HD2 LEU 16 -0.460 -7.412 6.054 147 HD22 LEU 16 1HD2 LEU 16 -1.649 -7.010 4.811 148 HD23 LEU 16 2HD2 LEU 16 -0.761 -5.730 5.641 149 H SER 17 H SER 17 2.902 -10.545 3.961 150 HA SER 17 HA SER 17 1.931 -13.133 3.364 151 HB2 SER 17 2HB SER 17 0.909 -11.977 1.412 152 HB3 SER 17 1HB SER 17 2.483 -11.321 0.960 153 HG SER 17 HG SER 17 1.996 -14.095 1.203 154 H GLU 18 H GLU 18 3.607 -14.465 2.472 155 HA GLU 18 HA GLU 18 6.358 -13.436 2.363 156 HB2 GLU 18 2HB GLU 18 5.842 -14.186 4.738 157 HB3 GLU 18 1HB GLU 18 5.576 -15.811 4.119 158 HG2 GLU 18 2HG GLU 18 7.890 -15.995 3.445 159 HG3 GLU 18 1HG GLU 18 8.193 -14.305 3.849 160 H ASN 19 H ASN 19 7.639 -14.580 0.908 161 HA ASN 19 HA ASN 19 6.049 -16.274 -0.962 162 HB2 ASN 19 2HB ASN 19 7.153 -14.175 -1.787 163 HB3 ASN 19 1HB ASN 19 8.723 -14.872 -1.407 164 HD21 ASN 19 1HD2 ASN 19 9.354 -14.619 -3.566 165 HD22 ASN 19 2HD2 ASN 19 8.770 -15.654 -4.820 166 H ALA 20 H ALA 20 7.237 -18.091 -2.126 167 HA ALA 20 HA ALA 20 8.456 -19.991 -0.460 168 HB1 ALA 20 3HB ALA 20 7.385 -20.572 -2.593 169 HB2 ALA 20 1HB ALA 20 9.033 -21.197 -2.527 170 HB3 ALA 20 2HB ALA 20 8.671 -19.753 -3.479 171 H LYS 21 H LYS 21 9.969 -17.751 -2.826 172 HA LYS 21 HA LYS 21 12.673 -18.144 -2.104 173 HB2 LYS 21 2HB LYS 21 11.157 -15.788 -3.290 174 HB3 LYS 21 1HB LYS 21 12.873 -15.654 -2.944 175 HG2 LYS 21 2HG LYS 21 11.663 -17.732 -4.793 176 HG3 LYS 21 1HG LYS 21 12.352 -16.199 -5.322 177 HD2 LYS 21 2HD LYS 21 13.888 -18.347 -3.807 178 HD3 LYS 21 1HD LYS 21 13.939 -18.123 -5.555 179 HE2 LYS 21 2HE LYS 21 14.980 -15.955 -5.319 180 HE3 LYS 21 1HE LYS 21 14.732 -15.968 -3.574 181 HZ1 LYS 21 3HZ LYS 21 17.017 -16.499 -4.143 182 HZ2 LYS 21 1HZ LYS 21 16.515 -17.823 -5.066 183 HZ3 LYS 21 2HZ LYS 21 16.276 -17.817 -3.397 184 H GLY 22 H GLY 22 10.102 -16.576 -0.444 185 HA2 GLY 22 2HA GLY 22 10.321 -16.156 1.921 186 HA3 GLY 22 1HA GLY 22 11.888 -15.412 1.614 187 H TRP 23 H TRP 23 10.790 -14.133 -0.879 188 HA TRP 23 HA TRP 23 10.695 -11.578 -0.013 189 HB2 TRP 23 2HB TRP 23 9.480 -12.830 -2.485 190 HB3 TRP 23 1HB TRP 23 9.339 -11.099 -2.209 191 HD1 TRP 23 HD1 TRP 23 12.199 -13.742 -2.483 192 HE1 TRP 23 HE1 TRP 23 14.168 -12.641 -3.678 193 HE3 TRP 23 HE3 TRP 23 10.332 -8.997 -2.923 194 HZ2 TRP 23 HZ2 TRP 23 14.889 -10.047 -4.658 195 HZ3 TRP 23 HZ3 TRP 23 11.706 -7.266 -4.005 196 HH2 TRP 23 HH2 TRP 23 13.938 -7.785 -4.855 197 H ARG 24 H ARG 24 9.422 -10.571 1.363 198 HA ARG 24 HA ARG 24 6.731 -11.556 1.966 199 HB2 ARG 24 2HB ARG 24 8.561 -9.547 3.332 200 HB3 ARG 24 1HB ARG 24 6.916 -9.881 3.865 201 HG2 ARG 24 2HG ARG 24 7.552 -12.216 4.340 202 HG3 ARG 24 1HG ARG 24 9.210 -11.863 3.836 203 HD2 ARG 24 2HD ARG 24 9.551 -10.348 5.651 204 HD3 ARG 24 1HD ARG 24 7.824 -10.285 6.025 205 HE ARG 24 HE ARG 24 8.858 -12.925 6.287 206 HH11 ARG 24 1HH1 ARG 24 8.740 -9.821 7.960 207 HH12 ARG 24 2HH1 ARG 24 8.911 -10.532 9.532 208 HH21 ARG 24 1HH2 ARG 24 8.986 -13.837 8.339 209 HH22 ARG 24 2HH2 ARG 24 9.051 -12.826 9.747 210 H LYS 25 H LYS 25 4.905 -10.322 1.565 211 HA LYS 25 HA LYS 25 5.232 -7.521 0.634 212 HB2 LYS 25 2HB LYS 25 2.705 -9.218 0.986 213 HB3 LYS 25 1HB LYS 25 2.725 -7.534 0.467 214 HG2 LYS 25 2HG LYS 25 4.074 -8.240 -1.542 215 HG3 LYS 25 1HG LYS 25 3.818 -9.918 -1.047 216 HD2 LYS 25 2HD LYS 25 1.355 -9.553 -1.160 217 HD3 LYS 25 1HD LYS 25 1.637 -7.904 -1.721 218 HE2 LYS 25 2HE LYS 25 2.672 -8.740 -3.759 219 HE3 LYS 25 1HE LYS 25 2.535 -10.406 -3.185 220 HZ1 LYS 25 3HZ LYS 25 0.287 -8.568 -3.801 221 HZ2 LYS 25 1HZ LYS 25 0.105 -10.115 -3.142 222 HZ3 LYS 25 2HZ LYS 25 0.750 -9.919 -4.692 223 H GLU 26 H GLU 26 5.608 -6.200 2.370 224 HA GLU 26 HA GLU 26 3.753 -6.463 4.655 225 HB2 GLU 26 2HB GLU 26 5.486 -6.147 6.316 226 HB3 GLU 26 1HB GLU 26 5.854 -7.562 5.351 227 HG2 GLU 26 2HG GLU 26 7.158 -4.907 4.755 228 HG3 GLU 26 1HG GLU 26 7.767 -5.941 6.037 229 H LEU 27 H LEU 27 3.159 -4.723 5.647 230 HA LEU 27 HA LEU 27 3.892 -2.039 4.771 231 HB2 LEU 27 2HB LEU 27 1.542 -2.564 5.265 232 HB3 LEU 27 1HB LEU 27 1.971 -3.092 6.884 233 HG LEU 27 HG LEU 27 2.672 -0.723 7.402 234 HD11 LEU 27 1HD1 LEU 27 1.402 -0.055 4.733 235 HD12 LEU 27 2HD1 LEU 27 3.105 0.119 5.158 236 HD13 LEU 27 3HD1 LEU 27 1.895 1.113 5.963 237 HD21 LEU 27 3HD2 LEU 27 0.505 -1.620 8.094 238 HD22 LEU 27 1HD2 LEU 27 -0.210 -1.092 6.568 239 HD23 LEU 27 2HD2 LEU 27 0.402 0.097 7.720 240 H ASN 28 H ASN 28 5.604 -1.108 5.659 241 HA ASN 28 HA ASN 28 6.289 -1.426 8.495 242 HB2 ASN 28 2HB ASN 28 8.675 -1.929 7.916 243 HB3 ASN 28 1HB ASN 28 7.569 -3.202 7.409 244 HD21 ASN 28 1HD2 ASN 28 6.915 -3.167 5.099 245 HD22 ASN 28 2HD2 ASN 28 8.061 -2.640 3.931 246 H ARG 29 H ARG 29 7.876 0.217 9.224 247 HA ARG 29 HA ARG 29 7.469 2.757 7.803 248 HB2 ARG 29 2HB ARG 29 8.422 2.252 10.666 249 HB3 ARG 29 1HB ARG 29 8.289 3.835 9.908 250 HG2 ARG 29 2HG ARG 29 5.817 3.404 9.625 251 HG3 ARG 29 1HG ARG 29 6.032 1.946 10.597 252 HD2 ARG 29 2HD ARG 29 5.250 3.699 12.051 253 HD3 ARG 29 1HD ARG 29 6.946 3.394 12.444 254 HE ARG 29 HE ARG 29 6.422 5.539 10.539 255 HH11 ARG 29 1HH1 ARG 29 7.079 4.769 13.919 256 HH12 ARG 29 2HH1 ARG 29 7.571 6.391 14.299 257 HH21 ARG 29 1HH2 ARG 29 7.070 7.644 11.081 258 HH22 ARG 29 2HH2 ARG 29 7.565 8.004 12.702 259 H VAL 30 H VAL 30 9.138 3.550 6.725 260 HA VAL 30 HA VAL 30 11.899 2.608 7.250 261 HB VAL 30 HB VAL 30 10.734 3.374 4.519 262 HG11 VAL 30 1HG1 VAL 30 13.152 3.737 4.669 263 HG12 VAL 30 2HG1 VAL 30 12.799 2.391 3.586 264 HG13 VAL 30 3HG1 VAL 30 13.390 2.077 5.222 265 HG21 VAL 30 3HG2 VAL 30 10.770 0.983 3.922 266 HG22 VAL 30 1HG2 VAL 30 9.678 1.289 5.276 267 HG23 VAL 30 2HG2 VAL 30 11.264 0.573 5.567 268 H SER 31 H SER 31 13.549 4.190 6.929 269 HA SER 31 HA SER 31 12.729 7.015 6.683 270 HB2 SER 31 2HB SER 31 13.924 6.514 8.792 271 HB3 SER 31 1HB SER 31 15.261 5.800 7.887 272 HG SER 31 HG SER 31 14.461 8.501 8.068 273 H TRP 32 H TRP 32 13.125 7.803 4.701 274 HA TRP 32 HA TRP 32 14.885 6.300 2.855 275 HB2 TRP 32 2HB TRP 32 12.480 8.110 2.333 276 HB3 TRP 32 1HB TRP 32 13.533 7.520 1.054 277 HD1 TRP 32 HD1 TRP 32 10.509 6.517 3.070 278 HE1 TRP 32 HE1 TRP 32 9.715 4.184 2.303 279 HE3 TRP 32 HE3 TRP 32 14.591 5.128 0.301 280 HZ2 TRP 32 HZ2 TRP 32 10.729 2.010 0.830 281 HZ3 TRP 32 HZ3 TRP 32 14.596 2.906 -0.759 282 HH2 TRP 32 HH2 TRP 32 12.703 1.377 -0.501 283 H ASN 33 H ASN 33 16.754 7.235 2.465 284 HA ASN 33 HA ASN 33 18.490 8.717 2.294 285 HB2 ASN 33 2HB ASN 33 16.239 10.374 1.085 286 HB3 ASN 33 1HB ASN 33 17.946 10.769 0.915 287 HD21 ASN 33 1HD2 ASN 33 17.704 10.603 -1.363 288 HD22 ASN 33 2HD2 ASN 33 17.657 9.070 -2.130 289 H ASP 34 H ASP 34 17.354 8.703 4.840 290 HA ASP 34 HA ASP 34 17.454 9.684 6.857 291 HB2 ASP 34 2HB ASP 34 19.729 10.437 6.027 292 HB3 ASP 34 1HB ASP 34 18.996 11.955 5.524 293 H ALA 35 H ALA 35 15.232 10.333 4.925 294 HA ALA 35 HA ALA 35 14.200 12.890 5.892 295 HB1 ALA 35 3HB ALA 35 12.825 10.701 4.282 296 HB2 ALA 35 1HB ALA 35 13.653 12.113 3.619 297 HB3 ALA 35 2HB ALA 35 12.194 12.325 4.588 298 H GLU 36 H GLU 36 12.156 12.986 6.973 299 HA GLU 36 HA GLU 36 11.951 11.810 9.442 300 HB2 GLU 36 2HB GLU 36 9.647 12.791 7.712 301 HB3 GLU 36 1HB GLU 36 9.508 12.446 9.436 302 HG2 GLU 36 2HG GLU 36 11.139 14.210 9.943 303 HG3 GLU 36 1HG GLU 36 11.345 14.535 8.225 304 HA PRO 37 HA PRO 37 10.989 7.451 8.695 305 HB2 PRO 37 2HB PRO 37 9.734 7.645 11.439 306 HB3 PRO 37 1HB PRO 37 10.935 6.486 10.831 307 HG2 PRO 37 2HG PRO 37 11.704 8.433 12.459 308 HG3 PRO 37 1HG PRO 37 12.721 7.975 11.073 309 HD2 PRO 37 2HD PRO 37 10.901 10.355 11.371 310 HD3 PRO 37 1HD PRO 37 12.507 10.246 10.615 311 H LYS 38 H LYS 38 9.275 6.699 7.530 312 HA LYS 38 HA LYS 38 6.559 7.586 8.118 313 HB2 LYS 38 2HB LYS 38 6.170 8.166 5.700 314 HB3 LYS 38 1HB LYS 38 7.234 9.286 6.544 315 HG2 LYS 38 2HG LYS 38 9.198 8.164 5.467 316 HG3 LYS 38 1HG LYS 38 8.073 7.122 4.590 317 HD2 LYS 38 2HD LYS 38 8.801 9.012 3.176 318 HD3 LYS 38 1HD LYS 38 7.069 9.091 3.496 319 HE2 LYS 38 2HE LYS 38 7.555 10.750 5.335 320 HE3 LYS 38 1HE LYS 38 9.242 10.753 4.815 321 HZ1 LYS 38 3HZ LYS 38 6.891 11.586 3.196 322 HZ2 LYS 38 1HZ LYS 38 8.477 11.496 2.616 323 HZ3 LYS 38 2HZ LYS 38 8.087 12.595 3.835 324 H TYR 39 H TYR 39 5.053 6.467 6.526 325 HA TYR 39 HA TYR 39 5.553 3.660 6.988 326 HB2 TYR 39 2HB TYR 39 3.069 5.042 5.885 327 HB3 TYR 39 1HB TYR 39 3.158 3.434 6.608 328 HD1 TYR 39 HD1 TYR 39 3.158 7.077 7.326 329 HD2 TYR 39 HD2 TYR 39 3.335 3.179 9.064 330 HE1 TYR 39 HE1 TYR 39 2.768 8.049 9.548 331 HE2 TYR 39 HE2 TYR 39 2.942 4.153 11.279 332 HH TYR 39 HH TYR 39 1.907 7.332 11.753 333 H ASP 40 H ASP 40 5.689 2.156 5.448 334 HA ASP 40 HA ASP 40 5.312 2.806 2.585 335 HB2 ASP 40 2HB ASP 40 7.797 2.973 3.313 336 HB3 ASP 40 1HB ASP 40 7.756 1.227 3.517 337 H ILE 41 H ILE 41 4.701 1.067 1.314 338 HA ILE 41 HA ILE 41 4.223 -1.525 2.617 339 HB ILE 41 HB ILE 41 2.083 -0.445 2.910 340 HG12 ILE 41 2HG1 ILE 41 1.907 -2.341 0.528 341 HG13 ILE 41 1HG1 ILE 41 2.038 -2.833 2.211 342 HG21 ILE 41 1HG2 ILE 41 0.740 0.526 1.091 343 HG22 ILE 41 2HG2 ILE 41 2.058 0.228 -0.044 344 HG23 ILE 41 3HG2 ILE 41 2.278 1.376 1.278 345 HD11 ILE 41 3HD1 ILE 41 -0.151 -1.789 2.655 346 HD12 ILE 41 1HD1 ILE 41 -0.223 -3.064 1.439 347 HD13 ILE 41 2HD1 ILE 41 -0.277 -1.374 0.942 348 H ARG 42 H ARG 42 5.144 -2.962 1.425 349 HA ARG 42 HA ARG 42 5.103 -3.053 -1.450 350 HB2 ARG 42 2HB ARG 42 7.275 -2.368 -2.068 351 HB3 ARG 42 1HB ARG 42 6.743 -1.128 -0.947 352 HG2 ARG 42 2HG ARG 42 8.090 -2.365 0.839 353 HG3 ARG 42 1HG ARG 42 8.766 -3.324 -0.481 354 HD2 ARG 42 2HD ARG 42 9.063 -0.363 0.042 355 HD3 ARG 42 1HD ARG 42 10.328 -1.575 -0.121 356 HE ARG 42 HE ARG 42 9.961 -1.582 -2.504 357 HH11 ARG 42 1HH1 ARG 42 8.242 1.004 -0.820 358 HH12 ARG 42 2HH1 ARG 42 8.069 1.978 -2.247 359 HH21 ARG 42 1HH2 ARG 42 9.719 -0.284 -4.363 360 HH22 ARG 42 2HH2 ARG 42 8.907 1.243 -4.247 361 H THR 43 H THR 43 7.074 -4.625 -2.233 362 HA THR 43 HA THR 43 7.059 -6.904 -0.422 363 HB THR 43 HB THR 43 7.884 -6.763 -3.359 364 HG1 THR 43 HG1 THR 43 5.376 -7.036 -2.135 365 HG21 THR 43 3HG2 THR 43 8.757 -8.744 -2.124 366 HG22 THR 43 1HG2 THR 43 7.559 -9.203 -3.338 367 HG23 THR 43 2HG2 THR 43 7.111 -9.146 -1.632 368 H TRP 44 H TRP 44 8.880 -7.229 0.723 369 HA TRP 44 HA TRP 44 11.502 -6.232 -0.266 370 HB2 TRP 44 2HB TRP 44 10.544 -6.813 2.575 371 HB3 TRP 44 1HB TRP 44 12.231 -6.542 2.174 372 HD1 TRP 44 HD1 TRP 44 9.080 -4.674 3.071 373 HE1 TRP 44 HE1 TRP 44 9.574 -2.159 3.160 374 HE3 TRP 44 HE3 TRP 44 13.683 -4.656 0.853 375 HZ2 TRP 44 HZ2 TRP 44 11.597 -0.390 2.382 376 HZ3 TRP 44 HZ3 TRP 44 14.830 -2.502 0.559 377 HH2 TRP 44 HH2 TRP 44 13.809 -0.409 1.307 378 H SER 45 H SER 45 13.291 -7.715 0.100 379 HA SER 45 HA SER 45 12.775 -10.496 -0.355 380 HB2 SER 45 2HB SER 45 15.271 -10.710 -0.106 381 HB3 SER 45 1HB SER 45 14.806 -9.443 -1.233 382 HG SER 45 HG SER 45 16.497 -8.929 0.348 383 HA PRO 46 HA PRO 46 12.649 -12.105 3.898 384 HB2 PRO 46 2HB PRO 46 14.653 -14.053 3.970 385 HB3 PRO 46 1HB PRO 46 13.030 -14.309 3.307 386 HG2 PRO 46 2HG PRO 46 15.563 -13.638 1.847 387 HG3 PRO 46 1HG PRO 46 14.302 -14.822 1.426 388 HD2 PRO 46 2HD PRO 46 14.391 -12.445 0.198 389 HD3 PRO 46 1HD PRO 46 12.824 -13.168 0.638 390 H ASP 47 H ASP 47 15.699 -11.031 2.560 391 HA ASP 47 HA ASP 47 16.879 -10.524 5.200 392 HB2 ASP 47 2HB ASP 47 18.048 -10.317 2.391 393 HB3 ASP 47 1HB ASP 47 18.934 -9.945 3.866 394 H HIS 48 H HIS 48 14.948 -8.858 2.974 395 HA HIS 48 HA HIS 48 14.145 -6.760 2.873 396 HB2 HIS 48 2HB HIS 48 15.441 -6.581 5.604 397 HB3 HIS 48 1HB HIS 48 14.564 -5.218 4.918 398 HD1 HIS 48 HD1 HIS 48 13.361 -6.019 7.386 399 HD2 HIS 48 HD2 HIS 48 12.462 -8.073 3.910 400 HE1 HIS 48 HE1 HIS 48 11.126 -7.077 7.766 401 HE2 HIS 48 HE2 HIS 48 10.532 -8.134 5.591 402 H GLU 49 H GLU 49 16.961 -7.360 1.927 403 HA GLU 49 HA GLU 49 18.109 -4.636 1.828 404 HB2 GLU 49 2HB GLU 49 20.137 -5.759 0.904 405 HB3 GLU 49 1HB GLU 49 19.695 -6.365 2.497 406 HG2 GLU 49 2HG GLU 49 18.636 -8.345 1.433 407 HG3 GLU 49 1HG GLU 49 19.126 -7.737 -0.145 408 H LYS 50 H LYS 50 16.117 -6.707 0.091 409 HA LYS 50 HA LYS 50 16.607 -5.291 -2.469 410 HB2 LYS 50 2HB LYS 50 15.668 -8.150 -2.008 411 HB3 LYS 50 1HB LYS 50 15.599 -7.358 -3.563 412 HG2 LYS 50 2HG LYS 50 18.271 -7.530 -2.202 413 HG3 LYS 50 1HG LYS 50 17.590 -9.007 -2.883 414 HD2 LYS 50 2HD LYS 50 18.997 -8.057 -4.568 415 HD3 LYS 50 1HD LYS 50 17.337 -7.783 -5.081 416 HE2 LYS 50 2HE LYS 50 17.517 -5.454 -4.145 417 HE3 LYS 50 1HE LYS 50 19.234 -5.753 -3.862 418 HZ1 LYS 50 3HZ LYS 50 18.911 -4.608 -5.941 419 HZ2 LYS 50 1HZ LYS 50 17.853 -5.805 -6.493 420 HZ3 LYS 50 2HZ LYS 50 19.482 -6.165 -6.248 421 H MET 51 H MET 51 14.824 -4.401 -3.425 422 HA MET 51 HA MET 51 12.234 -4.527 -1.968 423 HB2 MET 51 2HB MET 51 11.904 -2.150 -2.464 424 HB3 MET 51 1HB MET 51 13.408 -2.373 -1.584 425 HG2 MET 51 2HG MET 51 14.651 -2.192 -3.749 426 HG3 MET 51 1HG MET 51 13.122 -1.842 -4.554 427 HE1 MET 51 3HE MET 51 15.182 0.938 -1.483 428 HE2 MET 51 1HE MET 51 15.890 -0.556 -2.095 429 HE3 MET 51 2HE MET 51 14.504 -0.618 -1.004 430 H GLY 52 H GLY 52 10.349 -3.842 -3.342 431 HA2 GLY 52 2HA GLY 52 10.712 -3.870 -6.249 432 HA3 GLY 52 1HA GLY 52 9.764 -5.180 -5.550 433 H LYS 53 H LYS 53 7.732 -4.693 -6.234 434 HA LYS 53 HA LYS 53 6.817 -2.077 -6.810 435 HB2 LYS 53 2HB LYS 53 5.023 -4.486 -6.323 436 HB3 LYS 53 1HB LYS 53 4.705 -3.100 -7.356 437 HG2 LYS 53 2HG LYS 53 6.747 -5.278 -7.853 438 HG3 LYS 53 1HG LYS 53 5.206 -5.077 -8.682 439 HD2 LYS 53 2HD LYS 53 6.018 -2.917 -9.627 440 HD3 LYS 53 1HD LYS 53 7.566 -3.163 -8.809 441 HE2 LYS 53 2HE LYS 53 7.845 -5.298 -10.101 442 HE3 LYS 53 1HE LYS 53 6.375 -4.905 -10.997 443 HZ1 LYS 53 3HZ LYS 53 8.348 -4.265 -12.218 444 HZ2 LYS 53 1HZ LYS 53 8.872 -3.298 -10.940 445 HZ3 LYS 53 2HZ LYS 53 7.474 -2.882 -11.790 446 H GLY 54 H GLY 54 6.016 -0.493 -5.404 447 HA2 GLY 54 2HA GLY 54 4.114 -0.969 -3.420 448 HA3 GLY 54 1HA GLY 54 5.695 -0.896 -2.655 449 H ILE 55 H ILE 55 4.485 0.976 -1.612 450 HA ILE 55 HA ILE 55 5.110 3.486 -2.994 451 HB ILE 55 HB ILE 55 2.825 3.009 -3.799 452 HG12 ILE 55 2HG1 ILE 55 2.839 5.277 -1.758 453 HG13 ILE 55 1HG1 ILE 55 3.427 5.378 -3.412 454 HG21 ILE 55 1HG2 ILE 55 1.950 2.944 -0.892 455 HG22 ILE 55 2HG2 ILE 55 2.043 1.555 -1.974 456 HG23 ILE 55 3HG2 ILE 55 0.882 2.844 -2.297 457 HD11 ILE 55 3HD1 ILE 55 1.141 4.970 -4.219 458 HD12 ILE 55 1HD1 ILE 55 1.283 6.421 -3.230 459 HD13 ILE 55 2HD1 ILE 55 0.575 4.960 -2.546 460 H THR 56 H THR 56 5.229 5.271 -1.598 461 HA THR 56 HA THR 56 5.494 4.616 1.277 462 HB THR 56 HB THR 56 6.655 7.180 0.149 463 HG1 THR 56 HG1 THR 56 7.688 4.553 -0.227 464 HG21 THR 56 3HG2 THR 56 6.759 6.734 2.574 465 HG22 THR 56 1HG2 THR 56 8.370 6.764 1.850 466 HG23 THR 56 2HG2 THR 56 7.615 5.222 2.256 467 H LEU 57 H LEU 57 4.559 5.963 2.809 468 HA LEU 57 HA LEU 57 2.494 7.885 2.024 469 HB2 LEU 57 2HB LEU 57 2.137 5.565 3.979 470 HB3 LEU 57 1HB LEU 57 0.935 6.796 3.631 471 HG LEU 57 HG LEU 57 1.942 4.717 1.649 472 HD11 LEU 57 1HD1 LEU 57 0.586 3.672 3.387 473 HD12 LEU 57 2HD1 LEU 57 -0.300 3.703 1.863 474 HD13 LEU 57 3HD1 LEU 57 -0.700 4.859 3.137 475 HD21 LEU 57 3HD2 LEU 57 -0.238 6.808 1.339 476 HD22 LEU 57 1HD2 LEU 57 0.117 5.518 0.186 477 HD23 LEU 57 2HD2 LEU 57 1.313 6.771 0.497 478 H SER 58 H SER 58 2.231 9.513 3.546 479 HA SER 58 HA SER 58 4.318 9.817 5.604 480 HB2 SER 58 2HB SER 58 2.251 11.819 4.587 481 HB3 SER 58 1HB SER 58 3.650 12.176 5.609 482 HG SER 58 HG SER 58 3.777 11.086 2.981 483 H GLU 59 H GLU 59 3.414 11.052 7.676 484 HA GLU 59 HA GLU 59 1.639 9.428 9.084 485 HB2 GLU 59 2HB GLU 59 2.317 12.361 9.574 486 HB3 GLU 59 1HB GLU 59 1.529 11.302 10.741 487 HG2 GLU 59 2HG GLU 59 3.524 9.881 10.854 488 HG3 GLU 59 1HG GLU 59 4.315 10.866 9.621 489 H GLU 60 H GLU 60 1.007 12.383 7.238 490 HA GLU 60 HA GLU 60 -1.715 12.696 7.900 491 HB2 GLU 60 2HB GLU 60 -0.350 13.595 5.326 492 HB3 GLU 60 1HB GLU 60 -1.839 14.232 6.012 493 HG2 GLU 60 2HG GLU 60 -0.289 15.877 6.569 494 HG3 GLU 60 1HG GLU 60 -0.363 14.925 8.049 495 H GLU 61 H GLU 61 -0.170 11.334 5.004 496 HA GLU 61 HA GLU 61 -2.518 10.702 3.573 497 HB2 GLU 61 2HB GLU 61 0.249 9.415 3.345 498 HB3 GLU 61 1HB GLU 61 -1.001 9.425 2.098 499 HG2 GLU 61 2HG GLU 61 -0.813 11.820 1.829 500 HG3 GLU 61 1HG GLU 61 0.282 11.939 3.205 501 H PHE 62 H PHE 62 -0.325 8.613 5.411 502 HA PHE 62 HA PHE 62 -1.880 6.250 5.313 503 HB2 PHE 62 2HB PHE 62 0.572 6.302 5.758 504 HB3 PHE 62 1HB PHE 62 0.273 7.047 7.322 505 HD1 PHE 62 HD2 PHE 62 -0.334 3.952 5.321 506 HD2 PHE 62 HD1 PHE 62 -0.196 5.683 9.225 507 HE1 PHE 62 HE2 PHE 62 -0.496 1.718 6.325 508 HE2 PHE 62 HE1 PHE 62 -0.361 3.446 10.220 509 HZ PHE 62 HZ PHE 62 -0.506 1.462 8.775 510 H GLY 63 H GLY 63 -1.746 8.965 7.664 511 HA2 GLY 63 2HA GLY 63 -3.426 7.929 9.642 512 HA3 GLY 63 1HA GLY 63 -3.260 9.633 9.240 513 H VAL 64 H VAL 64 -4.278 9.734 6.676 514 HA VAL 64 HA VAL 64 -7.077 9.744 6.999 515 HB VAL 64 HB VAL 64 -5.393 9.835 4.450 516 HG11 VAL 64 1HG1 VAL 64 -7.373 10.764 3.306 517 HG12 VAL 64 2HG1 VAL 64 -8.343 10.493 4.757 518 HG13 VAL 64 3HG1 VAL 64 -7.666 9.119 3.881 519 HG21 VAL 64 3HG2 VAL 64 -6.692 12.107 6.003 520 HG22 VAL 64 1HG2 VAL 64 -5.769 12.267 4.506 521 HG23 VAL 64 2HG2 VAL 64 -4.972 11.724 5.982 522 H LEU 65 H LEU 65 -4.820 7.381 5.542 523 HA LEU 65 HA LEU 65 -6.640 5.550 4.472 524 HB2 LEU 65 2HB LEU 65 -4.124 5.518 4.200 525 HB3 LEU 65 1HB LEU 65 -3.999 4.889 5.831 526 HG LEU 65 HG LEU 65 -5.389 2.876 5.038 527 HD11 LEU 65 1HD1 LEU 65 -6.374 3.865 3.038 528 HD12 LEU 65 2HD1 LEU 65 -5.460 2.414 2.641 529 HD13 LEU 65 3HD1 LEU 65 -4.778 4.006 2.294 530 HD21 LEU 65 3HD2 LEU 65 -2.962 2.750 5.384 531 HD22 LEU 65 1HD2 LEU 65 -2.682 3.322 3.737 532 HD23 LEU 65 2HD2 LEU 65 -3.458 1.760 4.015 533 H LEU 66 H LEU 66 -5.174 5.640 7.762 534 HA LEU 66 HA LEU 66 -6.402 3.361 8.828 535 HB2 LEU 66 2HB LEU 66 -5.438 5.882 10.238 536 HB3 LEU 66 1HB LEU 66 -5.838 4.379 11.051 537 HG LEU 66 HG LEU 66 -3.571 4.756 9.066 538 HD11 LEU 66 1HD1 LEU 66 -3.479 4.361 12.072 539 HD12 LEU 66 2HD1 LEU 66 -3.131 5.860 11.208 540 HD13 LEU 66 3HD1 LEU 66 -2.085 4.459 10.991 541 HD21 LEU 66 3HD2 LEU 66 -2.900 2.465 9.688 542 HD22 LEU 66 1HD2 LEU 66 -4.474 2.501 8.895 543 HD23 LEU 66 2HD2 LEU 66 -4.373 2.293 10.646 544 H LYS 67 H LYS 67 -7.391 6.759 8.907 545 HA LYS 67 HA LYS 67 -9.608 6.593 10.631 546 HB2 LYS 67 2HB LYS 67 -8.945 8.499 8.354 547 HB3 LYS 67 1HB LYS 67 -10.321 8.739 9.430 548 HG2 LYS 67 2HG LYS 67 -8.950 9.136 11.309 549 HG3 LYS 67 1HG LYS 67 -7.524 8.442 10.528 550 HD2 LYS 67 2HD LYS 67 -7.459 10.946 10.696 551 HD3 LYS 67 1HD LYS 67 -7.323 10.339 9.045 552 HE2 LYS 67 2HE LYS 67 -9.561 10.981 8.520 553 HE3 LYS 67 1HE LYS 67 -9.959 11.259 10.219 554 HZ1 LYS 67 3HZ LYS 67 -8.491 13.131 10.255 555 HZ2 LYS 67 1HZ LYS 67 -9.580 13.317 8.981 556 HZ3 LYS 67 2HZ LYS 67 -7.988 12.850 8.666 557 H GLU 68 H GLU 68 -9.516 6.716 7.083 558 HA GLU 68 HA GLU 68 -12.285 6.290 6.752 559 HB2 GLU 68 2HB GLU 68 -9.975 6.109 4.797 560 HB3 GLU 68 1HB GLU 68 -11.658 5.964 4.321 561 HG2 GLU 68 2HG GLU 68 -10.399 8.389 5.620 562 HG3 GLU 68 1HG GLU 68 -10.776 8.219 3.906 563 H LEU 69 H LEU 69 -9.539 4.042 6.866 564 HA LEU 69 HA LEU 69 -10.968 1.724 6.022 565 HB2 LEU 69 2HB LEU 69 -8.486 2.014 7.745 566 HB3 LEU 69 1HB LEU 69 -9.168 0.443 7.352 567 HG LEU 69 HG LEU 69 -8.089 2.445 5.331 568 HD11 LEU 69 1HD1 LEU 69 -6.314 1.468 6.681 569 HD12 LEU 69 2HD1 LEU 69 -6.245 0.869 5.026 570 HD13 LEU 69 3HD1 LEU 69 -6.896 -0.157 6.309 571 HD21 LEU 69 3HD2 LEU 69 -8.321 0.665 3.684 572 HD22 LEU 69 1HD2 LEU 69 -9.889 1.090 4.369 573 HD23 LEU 69 2HD2 LEU 69 -9.071 -0.387 4.888 574 H GLY 70 H GLY 70 -10.388 3.178 9.232 575 HA2 GLY 70 2HA GLY 70 -11.692 1.225 10.813 576 HA3 GLY 70 1HA GLY 70 -11.481 2.917 11.241 577 H ASN 71 H ASN 71 -12.895 3.996 9.050 578 HA ASN 71 HA ASN 71 -15.644 3.863 9.845 579 HB2 ASN 71 2HB ASN 71 -14.398 4.992 7.292 580 HB3 ASN 71 1HB ASN 71 -16.062 5.273 7.806 581 HD21 ASN 71 1HD2 ASN 71 -13.834 7.174 7.380 582 HD22 ASN 71 2HD2 ASN 71 -13.681 8.043 8.866 583 H LYS 72 H LYS 72 -14.166 2.886 6.765 584 HA LYS 72 HA LYS 72 -16.004 1.130 5.779 585 HB2 LYS 72 2HB LYS 72 -12.985 0.757 5.643 586 HB3 LYS 72 1HB LYS 72 -14.154 -0.052 4.597 587 HG2 LYS 72 2HG LYS 72 -14.882 2.141 3.707 588 HG3 LYS 72 1HG LYS 72 -13.718 2.942 4.754 589 HD2 LYS 72 2HD LYS 72 -12.727 2.841 2.577 590 HD3 LYS 72 1HD LYS 72 -11.885 1.646 3.572 591 HE2 LYS 72 2HE LYS 72 -12.398 0.749 1.345 592 HE3 LYS 72 1HE LYS 72 -13.271 -0.146 2.589 593 HZ1 LYS 72 3HZ LYS 72 -14.643 0.406 0.638 594 HZ2 LYS 72 1HZ LYS 72 -14.436 2.047 0.955 595 HZ3 LYS 72 2HZ LYS 72 -15.266 1.075 2.057 596 H LEU 73 H LEU 73 -13.974 0.461 8.583 597 HA LEU 73 HA LEU 73 -14.687 -2.372 8.645 598 HB2 LEU 73 2HB LEU 73 -13.190 -0.616 10.630 599 HB3 LEU 73 1HB LEU 73 -13.538 -2.314 10.922 600 HG LEU 73 HG LEU 73 -11.779 -1.212 8.695 601 HD11 LEU 73 1HD1 LEU 73 -11.022 -2.827 11.145 602 HD12 LEU 73 2HD1 LEU 73 -10.713 -1.108 10.897 603 HD13 LEU 73 3HD1 LEU 73 -9.924 -2.298 9.865 604 HD21 LEU 73 3HD2 LEU 73 -12.961 -3.180 7.882 605 HD22 LEU 73 1HD2 LEU 73 -12.469 -4.102 9.307 606 HD23 LEU 73 2HD2 LEU 73 -11.261 -3.556 8.140 607 H GLU 74 H GLU 74 -16.513 0.332 9.247 608 HA GLU 74 HA GLU 74 -18.087 -0.790 11.428 609 HB2 GLU 74 2HB GLU 74 -18.617 1.612 9.613 610 HB3 GLU 74 1HB GLU 74 -19.559 1.173 11.031 611 HG2 GLU 74 2HG GLU 74 -17.574 1.564 12.474 612 HG3 GLU 74 1HG GLU 74 -16.649 2.033 11.046 613 H HIS 75 H HIS 75 -17.712 -2.172 8.712 614 HA HIS 75 HA HIS 75 -20.523 -2.962 8.507 615 HB2 HIS 75 2HB HIS 75 -20.541 -3.242 6.127 616 HB3 HIS 75 1HB HIS 75 -20.041 -1.596 6.447 617 HD1 HIS 75 HD1 HIS 75 -18.037 -0.812 5.191 618 HD2 HIS 75 HD2 HIS 75 -18.313 -4.953 5.229 619 HE1 HIS 75 HE1 HIS 75 -16.336 -1.622 3.537 620 HE2 HIS 75 HE2 HIS 75 -16.650 -4.103 3.450 621 H HIS 76 H HIS 76 -20.709 -5.025 8.996 622 HA HIS 76 HA HIS 76 -18.424 -6.477 9.838 623 HB2 HIS 76 2HB HIS 76 -19.994 -8.242 10.503 624 HB3 HIS 76 1HB HIS 76 -20.574 -6.661 10.999 625 HD1 HIS 76 HD1 HIS 76 -21.693 -9.679 9.399 626 HD2 HIS 76 HD2 HIS 76 -22.686 -5.656 9.126 627 HE1 HIS 76 HE1 HIS 76 -23.970 -9.615 8.352 628 HE2 HIS 76 HE2 HIS 76 -24.469 -7.170 8.040 629 H HIS 77 H HIS 77 -17.510 -8.375 9.104 630 HA HIS 77 HA HIS 77 -18.103 -9.384 6.423 631 HB2 HIS 77 2HB HIS 77 -15.705 -8.980 5.684 632 HB3 HIS 77 1HB HIS 77 -16.670 -7.514 5.860 633 HD1 HIS 77 HD1 HIS 77 -13.580 -9.121 7.027 634 HD2 HIS 77 HD2 HIS 77 -15.964 -5.946 8.204 635 HE1 HIS 77 HE1 HIS 77 -12.166 -7.764 8.586 636 HE2 HIS 77 HE2 HIS 77 -13.742 -6.041 9.507 637 H HIS 78 H HIS 78 -16.829 -11.330 5.914 638 HA HIS 78 HA HIS 78 -15.675 -12.725 8.264 639 HB2 HIS 78 2HB HIS 78 -17.922 -13.728 6.471 640 HB3 HIS 78 1HB HIS 78 -16.930 -14.829 7.418 641 HD1 HIS 78 HD1 HIS 78 -20.089 -13.349 7.611 642 HD2 HIS 78 HD2 HIS 78 -17.000 -13.784 10.347 643 HE1 HIS 78 HE1 HIS 78 -21.167 -13.195 9.868 644 HE2 HIS 78 HE2 HIS 78 -19.306 -13.641 11.492 645 H HIS 79 H HIS 79 -16.162 -12.725 4.740 646 HA HIS 79 HA HIS 79 -15.165 -13.702 2.986 647 HB2 HIS 79 2HB HIS 79 -12.783 -14.059 4.856 648 HB3 HIS 79 1HB HIS 79 -12.770 -14.615 3.188 649 HD1 HIS 79 HD1 HIS 79 -10.731 -12.544 4.092 650 HD2 HIS 79 HD2 HIS 79 -14.397 -11.559 2.418 651 HE1 HIS 79 HE1 HIS 79 -10.390 -10.310 2.999 652 HE2 HIS 79 HE2 HIS 79 -12.535 -9.896 1.753 653 H HIS 80 H HIS 80 -16.021 -15.531 2.278 654 HA HIS 80 HA HIS 80 -15.907 -18.086 3.565 655 HB2 HIS 80 2HB HIS 80 -17.338 -16.919 5.232 656 HB3 HIS 80 1HB HIS 80 -18.493 -16.517 3.971 657 HD1 HIS 80 HD1 HIS 80 -20.244 -18.253 3.399 658 HD2 HIS 80 HD2 HIS 80 -17.282 -19.725 5.918 659 HE1 HIS 80 HE1 HIS 80 -21.065 -20.497 4.171 660 HE2 HIS 80 HE2 HIS 80 -19.226 -21.402 5.628 661 H1 MET 1 1H MET 1 -2.232 -15.269 -23.780 662 H2 MET 1 2H MET 1 -1.283 -16.600 -23.361 663 H3 MET 1 3H MET 1 -0.556 -15.195 -23.950 664 HA MET 1 HA MET 1 -2.048 -15.421 -21.411 665 HB2 MET 1 2HB MET 1 0.944 -15.124 -21.911 666 HB3 MET 1 1HB MET 1 0.178 -15.084 -20.327 667 HG2 MET 1 2HG MET 1 -0.586 -17.425 -20.687 668 HG3 MET 1 1HG MET 1 0.297 -17.448 -22.210 669 HE1 MET 1 3HE MET 1 3.008 -17.058 -22.322 670 HE2 MET 1 1HE MET 1 4.013 -16.958 -20.879 671 HE3 MET 1 2HE MET 1 2.907 -15.642 -21.274 672 H ALA 2 H ALA 2 -1.012 -13.430 -20.017 673 HA ALA 2 HA ALA 2 -1.514 -10.973 -21.599 674 HB1 ALA 2 3HB ALA 2 -2.194 -11.511 -18.689 675 HB2 ALA 2 1HB ALA 2 -3.339 -11.505 -20.033 676 HB3 ALA 2 2HB ALA 2 -2.512 -10.016 -19.572 677 H ASP 3 H ASP 3 0.742 -10.831 -22.039 678 HA ASP 3 HA ASP 3 2.749 -10.295 -20.064 679 HB2 ASP 3 2HB ASP 3 2.562 -9.345 -22.971 680 HB3 ASP 3 1HB ASP 3 4.016 -9.290 -21.975 681 H LYS 4 H LYS 4 0.545 -8.368 -21.979 682 HA LYS 4 HA LYS 4 0.844 -6.024 -20.205 683 HB2 LYS 4 2HB LYS 4 0.924 -5.541 -22.648 684 HB3 LYS 4 1HB LYS 4 -0.663 -6.280 -22.855 685 HG2 LYS 4 2HG LYS 4 -1.701 -4.546 -21.477 686 HG3 LYS 4 1HG LYS 4 -0.120 -3.850 -21.109 687 HD2 LYS 4 2HD LYS 4 -1.254 -2.507 -22.822 688 HD3 LYS 4 1HD LYS 4 0.184 -3.270 -23.503 689 HE2 LYS 4 2HE LYS 4 -1.242 -5.010 -24.543 690 HE3 LYS 4 1HE LYS 4 -2.673 -4.240 -23.859 691 HZ1 LYS 4 3HZ LYS 4 -2.381 -3.599 -26.147 692 HZ2 LYS 4 1HZ LYS 4 -0.825 -3.024 -25.834 693 HZ3 LYS 4 2HZ LYS 4 -2.157 -2.256 -25.151 694 H LEU 5 H LEU 5 -0.782 -5.629 -18.750 695 HA LEU 5 HA LEU 5 -2.797 -7.730 -18.433 696 HB2 LEU 5 2HB LEU 5 -2.029 -5.459 -16.551 697 HB3 LEU 5 1HB LEU 5 -3.167 -6.750 -16.184 698 HG LEU 5 HG LEU 5 -0.169 -7.063 -16.617 699 HD11 LEU 5 1HD1 LEU 5 -0.106 -7.730 -14.254 700 HD12 LEU 5 2HD1 LEU 5 -1.843 -7.442 -14.114 701 HD13 LEU 5 3HD1 LEU 5 -0.748 -6.097 -14.437 702 HD21 LEU 5 3HD2 LEU 5 -2.236 -9.217 -16.057 703 HD22 LEU 5 1HD2 LEU 5 -0.484 -9.445 -16.052 704 HD23 LEU 5 2HD2 LEU 5 -1.308 -9.012 -17.546 705 H LYS 6 H LYS 6 -4.927 -7.109 -17.722 706 HA LYS 6 HA LYS 6 -5.983 -4.584 -18.865 707 HB2 LYS 6 2HB LYS 6 -7.349 -7.280 -18.391 708 HB3 LYS 6 1HB LYS 6 -8.231 -5.811 -18.781 709 HG2 LYS 6 2HG LYS 6 -6.155 -7.119 -20.557 710 HG3 LYS 6 1HG LYS 6 -7.898 -7.287 -20.745 711 HD2 LYS 6 2HD LYS 6 -6.341 -4.682 -20.956 712 HD3 LYS 6 1HD LYS 6 -6.955 -5.622 -22.314 713 HE2 LYS 6 2HE LYS 6 -9.253 -5.198 -21.650 714 HE3 LYS 6 1HE LYS 6 -8.721 -4.413 -20.159 715 HZ1 LYS 6 3HZ LYS 6 -8.228 -3.427 -22.924 716 HZ2 LYS 6 1HZ LYS 6 -7.673 -2.688 -21.507 717 HZ3 LYS 6 2HZ LYS 6 -9.330 -2.783 -21.815 718 H PHE 7 H PHE 7 -7.198 -3.294 -17.376 719 HA PHE 7 HA PHE 7 -7.519 -4.337 -14.646 720 HB2 PHE 7 2HB PHE 7 -6.670 -2.255 -13.680 721 HB3 PHE 7 1HB PHE 7 -5.426 -2.963 -14.691 722 HD1 PHE 7 HD1 PHE 7 -4.934 -1.932 -16.954 723 HD2 PHE 7 HD2 PHE 7 -7.501 -0.039 -14.099 724 HE1 PHE 7 HE1 PHE 7 -4.691 0.213 -18.141 725 HE2 PHE 7 HE2 PHE 7 -7.252 2.094 -15.289 726 HZ PHE 7 HZ PHE 7 -5.850 2.226 -17.308 727 H GLU 8 H GLU 8 -9.505 -3.827 -13.827 728 HA GLU 8 HA GLU 8 -11.096 -1.694 -15.109 729 HB2 GLU 8 2HB GLU 8 -11.817 -3.927 -15.971 730 HB3 GLU 8 1HB GLU 8 -12.054 -4.488 -14.320 731 HG2 GLU 8 2HG GLU 8 -13.834 -2.785 -14.003 732 HG3 GLU 8 1HG GLU 8 -13.599 -2.247 -15.670 733 H ILE 9 H ILE 9 -11.651 -0.268 -13.541 734 HA ILE 9 HA ILE 9 -10.989 -0.861 -10.797 735 HB ILE 9 HB ILE 9 -12.134 1.678 -12.045 736 HG12 ILE 9 2HG1 ILE 9 -9.286 0.938 -11.212 737 HG13 ILE 9 1HG1 ILE 9 -9.860 1.088 -12.868 738 HG21 ILE 9 1HG2 ILE 9 -12.690 1.536 -9.627 739 HG22 ILE 9 2HG2 ILE 9 -11.502 2.804 -9.927 740 HG23 ILE 9 3HG2 ILE 9 -10.987 1.259 -9.249 741 HD11 ILE 9 3HD1 ILE 9 -10.246 3.483 -12.489 742 HD12 ILE 9 1HD1 ILE 9 -8.567 3.002 -12.247 743 HD13 ILE 9 2HD1 ILE 9 -9.602 3.308 -10.853 744 H ILE 10 H ILE 10 -12.320 -1.947 -9.646 745 HA ILE 10 HA ILE 10 -15.128 -2.323 -10.230 746 HB ILE 10 HB ILE 10 -13.339 -3.384 -7.994 747 HG12 ILE 10 2HG1 ILE 10 -12.633 -4.211 -10.188 748 HG13 ILE 10 1HG1 ILE 10 -13.371 -5.518 -9.279 749 HG21 ILE 10 1HG2 ILE 10 -15.106 -5.056 -7.540 750 HG22 ILE 10 2HG2 ILE 10 -16.158 -4.258 -8.711 751 HG23 ILE 10 3HG2 ILE 10 -15.668 -3.408 -7.244 752 HD11 ILE 10 3HD1 ILE 10 -14.640 -3.969 -11.535 753 HD12 ILE 10 1HD1 ILE 10 -15.444 -5.234 -10.600 754 HD13 ILE 10 2HD1 ILE 10 -14.037 -5.623 -11.590 755 H GLU 11 H GLU 11 -13.088 -0.775 -7.752 756 HA GLU 11 HA GLU 11 -15.240 1.010 -6.949 757 HB2 GLU 11 2HB GLU 11 -15.704 -1.032 -5.608 758 HB3 GLU 11 1HB GLU 11 -14.053 -1.029 -5.002 759 HG2 GLU 11 2HG GLU 11 -15.545 -0.199 -3.296 760 HG3 GLU 11 1HG GLU 11 -14.507 1.113 -3.851 761 H GLU 12 H GLU 12 -14.430 2.832 -5.869 762 HA GLU 12 HA GLU 12 -11.512 3.004 -5.353 763 HB2 GLU 12 2HB GLU 12 -13.625 5.206 -5.403 764 HB3 GLU 12 1HB GLU 12 -11.917 5.447 -5.047 765 HG2 GLU 12 2HG GLU 12 -11.356 4.666 -7.352 766 HG3 GLU 12 1HG GLU 12 -13.085 4.530 -7.687 767 H LEU 13 H LEU 13 -10.781 3.053 -3.241 768 HA LEU 13 HA LEU 13 -12.862 2.603 -1.179 769 HB2 LEU 13 2HB LEU 13 -9.883 1.995 -1.052 770 HB3 LEU 13 1HB LEU 13 -11.067 1.598 0.185 771 HG LEU 13 HG LEU 13 -10.913 0.406 -2.611 772 HD11 LEU 13 1HD1 LEU 13 -9.221 -0.484 -1.110 773 HD12 LEU 13 2HD1 LEU 13 -10.443 -1.706 -1.437 774 HD13 LEU 13 3HD1 LEU 13 -10.444 -0.852 0.109 775 HD21 LEU 13 3HD2 LEU 13 -12.795 -1.039 -1.954 776 HD22 LEU 13 1HD2 LEU 13 -13.258 0.660 -1.991 777 HD23 LEU 13 2HD2 LEU 13 -12.968 -0.141 -0.447 778 H ILE 14 H ILE 14 -9.692 4.254 -1.464 779 HA ILE 14 HA ILE 14 -10.599 6.512 0.182 780 HB ILE 14 HB ILE 14 -8.061 4.978 0.985 781 HG12 ILE 14 2HG1 ILE 14 -10.726 4.945 2.477 782 HG13 ILE 14 1HG1 ILE 14 -10.092 3.602 1.533 783 HG21 ILE 14 1HG2 ILE 14 -8.117 6.441 2.990 784 HG22 ILE 14 2HG2 ILE 14 -9.576 7.223 2.380 785 HG23 ILE 14 3HG2 ILE 14 -8.053 7.401 1.507 786 HD11 ILE 14 3HD1 ILE 14 -9.745 3.294 3.908 787 HD12 ILE 14 1HD1 ILE 14 -8.792 4.777 3.983 788 HD13 ILE 14 2HD1 ILE 14 -8.215 3.398 3.042 789 H VAL 15 H VAL 15 -9.600 8.394 -0.485 790 HA VAL 15 HA VAL 15 -7.133 8.250 -2.128 791 HB VAL 15 HB VAL 15 -8.980 10.648 -1.692 792 HG11 VAL 15 1HG1 VAL 15 -6.660 11.341 -2.139 793 HG12 VAL 15 2HG1 VAL 15 -7.701 11.733 -3.507 794 HG13 VAL 15 3HG1 VAL 15 -6.622 10.340 -3.595 795 HG21 VAL 15 3HG2 VAL 15 -9.717 10.301 -4.025 796 HG22 VAL 15 1HG2 VAL 15 -10.107 8.911 -3.007 797 HG23 VAL 15 2HG2 VAL 15 -8.737 8.833 -4.120 798 H LEU 16 H LEU 16 -5.271 8.946 -1.269 799 HA LEU 16 HA LEU 16 -5.192 9.676 1.590 800 HB2 LEU 16 2HB LEU 16 -2.978 8.507 -0.147 801 HB3 LEU 16 1HB LEU 16 -2.964 8.674 1.605 802 HG LEU 16 HG LEU 16 -4.769 6.827 0.002 803 HD11 LEU 16 1HD1 LEU 16 -2.478 6.001 0.100 804 HD12 LEU 16 2HD1 LEU 16 -3.536 4.997 1.089 805 HD13 LEU 16 3HD1 LEU 16 -2.464 6.172 1.857 806 HD21 LEU 16 3HD2 LEU 16 -5.955 7.694 1.938 807 HD22 LEU 16 1HD2 LEU 16 -4.616 7.234 2.995 808 HD23 LEU 16 2HD2 LEU 16 -5.563 5.995 2.165 809 H SER 17 H SER 17 -4.246 10.793 -1.587 810 HA SER 17 HA SER 17 -3.251 13.308 -0.664 811 HB2 SER 17 2HB SER 17 -1.291 11.872 -0.095 812 HB3 SER 17 1HB SER 17 -1.196 11.332 -1.768 813 HG SER 17 HG SER 17 0.051 13.341 -0.784 814 H GLU 18 H GLU 18 -2.848 14.725 -2.367 815 HA GLU 18 HA GLU 18 -3.492 13.863 -5.145 816 HB2 GLU 18 2HB GLU 18 -5.434 15.044 -4.095 817 HB3 GLU 18 1HB GLU 18 -4.402 16.421 -3.732 818 HG2 GLU 18 2HG GLU 18 -4.021 16.664 -6.234 819 HG3 GLU 18 1HG GLU 18 -5.280 15.450 -6.472 820 H ASN 19 H ASN 19 -2.075 14.652 -6.689 821 HA ASN 19 HA ASN 19 0.255 16.233 -5.693 822 HB2 ASN 19 2HB ASN 19 0.627 14.042 -6.854 823 HB3 ASN 19 1HB ASN 19 -0.082 14.714 -8.314 824 HD21 ASN 19 1HD2 ASN 19 1.813 14.315 -9.458 825 HD22 ASN 19 2HD2 ASN 19 3.238 15.266 -9.256 826 H ALA 20 H ALA 20 1.205 17.857 -7.370 827 HA ALA 20 HA ALA 20 -0.605 19.924 -7.928 828 HB1 ALA 20 3HB ALA 20 1.242 20.986 -9.155 829 HB2 ALA 20 1HB ALA 20 2.123 19.452 -9.178 830 HB3 ALA 20 2HB ALA 20 1.812 20.270 -7.648 831 H LYS 21 H LYS 21 0.889 17.576 -10.206 832 HA LYS 21 HA LYS 21 -0.814 18.283 -12.419 833 HB2 LYS 21 2HB LYS 21 0.854 15.763 -11.992 834 HB3 LYS 21 1HB LYS 21 0.141 16.269 -13.517 835 HG2 LYS 21 2HG LYS 21 2.313 17.746 -12.003 836 HG3 LYS 21 1HG LYS 21 2.540 16.763 -13.450 837 HD2 LYS 21 2HD LYS 21 1.206 18.321 -14.776 838 HD3 LYS 21 1HD LYS 21 0.813 19.265 -13.335 839 HE2 LYS 21 2HE LYS 21 2.564 20.370 -14.645 840 HE3 LYS 21 1HE LYS 21 3.191 19.865 -13.076 841 HZ1 LYS 21 3HZ LYS 21 3.593 18.402 -15.635 842 HZ2 LYS 21 1HZ LYS 21 4.248 17.982 -14.131 843 HZ3 LYS 21 2HZ LYS 21 4.730 19.409 -14.895 844 H GLY 22 H GLY 22 -1.412 16.628 -9.568 845 HA2 GLY 22 2HA GLY 22 -3.742 16.268 -9.067 846 HA3 GLY 22 1HA GLY 22 -3.919 15.461 -10.621 847 H TRP 23 H TRP 23 -1.227 14.154 -10.181 848 HA TRP 23 HA TRP 23 -2.088 11.637 -9.904 849 HB2 TRP 23 2HB TRP 23 0.617 12.808 -9.211 850 HB3 TRP 23 1HB TRP 23 0.333 11.076 -9.104 851 HD1 TRP 23 HD1 TRP 23 0.119 13.892 -11.794 852 HE1 TRP 23 HE1 TRP 23 0.682 12.856 -14.061 853 HE3 TRP 23 HE3 TRP 23 0.629 8.991 -10.358 854 HZ2 TRP 23 HZ2 TRP 23 1.287 10.290 -15.132 855 HZ3 TRP 23 HZ3 TRP 23 1.216 7.313 -12.063 856 HH2 TRP 23 HH2 TRP 23 1.538 7.950 -14.403 857 H ARG 24 H ARG 24 -3.180 10.597 -8.411 858 HA ARG 24 HA ARG 24 -3.159 11.532 -5.626 859 HB2 ARG 24 2HB ARG 24 -5.223 10.122 -7.345 860 HB3 ARG 24 1HB ARG 24 -5.365 10.121 -5.588 861 HG2 ARG 24 2HG ARG 24 -5.604 12.492 -5.499 862 HG3 ARG 24 1HG ARG 24 -5.136 12.684 -7.187 863 HD2 ARG 24 2HD ARG 24 -7.193 11.568 -7.911 864 HD3 ARG 24 1HD ARG 24 -7.648 11.263 -6.238 865 HE ARG 24 HE ARG 24 -8.566 13.321 -6.187 866 HH11 ARG 24 1HH1 ARG 24 -6.069 13.470 -8.656 867 HH12 ARG 24 2HH1 ARG 24 -6.446 15.101 -9.098 868 HH21 ARG 24 1HH2 ARG 24 -9.030 15.455 -6.774 869 HH22 ARG 24 2HH2 ARG 24 -8.119 16.224 -8.034 870 H LYS 25 H LYS 25 -2.253 10.327 -4.117 871 HA LYS 25 HA LYS 25 -1.545 7.521 -4.515 872 HB2 LYS 25 2HB LYS 25 -1.523 9.237 -1.982 873 HB3 LYS 25 1HB LYS 25 -0.889 7.599 -2.098 874 HG2 LYS 25 2HG LYS 25 0.803 8.420 -3.748 875 HG3 LYS 25 1HG LYS 25 0.208 10.066 -3.480 876 HD2 LYS 25 2HD LYS 25 0.761 9.874 -1.068 877 HD3 LYS 25 1HD LYS 25 1.352 8.231 -1.331 878 HE2 LYS 25 2HE LYS 25 3.137 9.098 -2.776 879 HE3 LYS 25 1HE LYS 25 2.536 10.744 -2.549 880 HZ1 LYS 25 3HZ LYS 25 3.569 8.964 -0.403 881 HZ2 LYS 25 1HZ LYS 25 2.992 10.535 -0.175 882 HZ3 LYS 25 2HZ LYS 25 4.393 10.270 -1.084 883 H GLU 26 H GLU 26 -3.300 6.172 -4.583 884 HA GLU 26 HA GLU 26 -5.355 6.438 -2.478 885 HB2 GLU 26 2HB GLU 26 -7.158 6.120 -4.137 886 HB3 GLU 26 1HB GLU 26 -6.243 7.593 -4.439 887 HG2 GLU 26 2HG GLU 26 -4.986 6.412 -6.240 888 HG3 GLU 26 1HG GLU 26 -5.975 4.980 -5.958 889 H LEU 27 H LEU 27 -6.578 4.669 -2.059 890 HA LEU 27 HA LEU 27 -5.601 2.009 -2.869 891 HB2 LEU 27 2HB LEU 27 -5.457 2.487 -0.461 892 HB3 LEU 27 1HB LEU 27 -7.133 3.007 -0.431 893 HG LEU 27 HG LEU 27 -7.815 0.639 -0.976 894 HD11 LEU 27 1HD1 LEU 27 -5.772 -0.207 -2.004 895 HD12 LEU 27 2HD1 LEU 27 -6.220 -1.199 -0.618 896 HD13 LEU 27 3HD1 LEU 27 -4.901 -0.036 -0.478 897 HD21 LEU 27 3HD2 LEU 27 -7.891 1.548 1.302 898 HD22 LEU 27 1HD2 LEU 27 -6.234 1.004 1.580 899 HD23 LEU 27 2HD2 LEU 27 -7.520 -0.173 1.305 900 H ASN 28 H ASN 28 -6.911 1.046 -4.293 901 HA ASN 28 HA ASN 28 -9.838 1.420 -4.226 902 HB2 ASN 28 2HB ASN 28 -9.982 1.796 -6.615 903 HB3 ASN 28 1HB ASN 28 -8.878 2.983 -5.949 904 HD21 ASN 28 1HD2 ASN 28 -6.546 1.160 -5.849 905 HD22 ASN 28 2HD2 ASN 28 -6.076 0.907 -7.485 906 H ARG 29 H ARG 29 -10.950 -0.292 -5.608 907 HA ARG 29 HA ARG 29 -9.509 -2.857 -5.486 908 HB2 ARG 29 2HB ARG 29 -12.508 -2.339 -5.739 909 HB3 ARG 29 1HB ARG 29 -11.740 -3.924 -5.658 910 HG2 ARG 29 2HG ARG 29 -10.901 -3.347 -3.371 911 HG3 ARG 29 1HG ARG 29 -11.816 -1.840 -3.464 912 HD2 ARG 29 2HD ARG 29 -13.083 -3.485 -2.206 913 HD3 ARG 29 1HD ARG 29 -13.912 -3.165 -3.734 914 HE ARG 29 HE ARG 29 -12.132 -5.504 -3.403 915 HH11 ARG 29 1HH1 ARG 29 -15.331 -4.251 -4.187 916 HH12 ARG 29 2HH1 ARG 29 -15.919 -5.793 -4.732 917 HH21 ARG 29 1HH2 ARG 29 -12.917 -7.498 -4.125 918 HH22 ARG 29 2HH2 ARG 29 -14.553 -7.628 -4.695 919 H VAL 30 H VAL 30 -8.885 -3.722 -7.332 920 HA VAL 30 HA VAL 30 -10.063 -2.873 -9.916 921 HB VAL 30 HB VAL 30 -7.108 -3.505 -9.394 922 HG11 VAL 30 1HG1 VAL 30 -6.732 -2.685 -11.692 923 HG12 VAL 30 2HG1 VAL 30 -8.471 -2.457 -11.897 924 HG13 VAL 30 3HG1 VAL 30 -7.816 -4.080 -11.671 925 HG21 VAL 30 3HG2 VAL 30 -6.649 -1.105 -9.755 926 HG22 VAL 30 1HG2 VAL 30 -7.692 -1.358 -8.352 927 HG23 VAL 30 2HG2 VAL 30 -8.383 -0.787 -9.872 928 H SER 31 H SER 31 -10.204 -4.496 -11.490 929 HA SER 31 HA SER 31 -9.737 -7.306 -10.669 930 HB2 SER 31 2HB SER 31 -12.115 -6.799 -11.153 931 HB3 SER 31 1HB SER 31 -11.672 -6.169 -12.741 932 HG SER 31 HG SER 31 -12.009 -8.752 -11.914 933 H TRP 32 H TRP 32 -8.075 -8.270 -11.749 934 HA TRP 32 HA TRP 32 -6.859 -6.816 -14.017 935 HB2 TRP 32 2HB TRP 32 -5.647 -8.896 -12.139 936 HB3 TRP 32 1HB TRP 32 -4.797 -8.123 -13.474 937 HD1 TRP 32 HD1 TRP 32 -5.815 -7.547 -9.854 938 HE1 TRP 32 HE1 TRP 32 -4.770 -5.338 -9.033 939 HE3 TRP 32 HE3 TRP 32 -4.173 -5.640 -14.343 940 HZ2 TRP 32 HZ2 TRP 32 -3.498 -3.083 -10.106 941 HZ3 TRP 32 HZ3 TRP 32 -3.051 -3.450 -14.342 942 HH2 TRP 32 HH2 TRP 32 -2.721 -2.196 -12.270 943 H ASN 33 H ASN 33 -7.344 -7.581 -15.929 944 HA ASN 33 HA ASN 33 -7.929 -8.894 -17.704 945 HB2 ASN 33 2HB ASN 33 -6.465 -11.010 -16.062 946 HB3 ASN 33 1HB ASN 33 -7.009 -11.279 -17.716 947 HD21 ASN 33 1HD2 ASN 33 -4.302 -11.127 -16.359 948 HD22 ASN 33 2HD2 ASN 33 -3.403 -10.081 -17.396 949 H ASP 34 H ASP 34 -9.873 -8.494 -15.665 950 HA ASP 34 HA ASP 34 -11.725 -9.204 -14.624 951 HB2 ASP 34 2HB ASP 34 -12.429 -9.289 -17.051 952 HB3 ASP 34 1HB ASP 34 -12.042 -11.004 -17.071 953 H ALA 35 H ALA 35 -9.584 -10.397 -13.452 954 HA ALA 35 HA ALA 35 -10.549 -13.099 -12.710 955 HB1 ALA 35 3HB ALA 35 -7.962 -11.661 -11.996 956 HB2 ALA 35 1HB ALA 35 -8.145 -12.930 -13.208 957 HB3 ALA 35 2HB ALA 35 -8.393 -13.301 -11.499 958 H GLU 36 H GLU 36 -9.856 -13.256 -10.125 959 HA GLU 36 HA GLU 36 -11.868 -12.203 -8.601 960 HB2 GLU 36 2HB GLU 36 -9.082 -12.763 -7.499 961 HB3 GLU 36 1HB GLU 36 -10.568 -12.659 -6.564 962 HG2 GLU 36 2HG GLU 36 -10.217 -14.957 -6.728 963 HG3 GLU 36 1HG GLU 36 -11.396 -14.650 -7.996 964 HA PRO 37 HA PRO 37 -10.854 -7.734 -8.598 965 HB2 PRO 37 2HB PRO 37 -13.178 -7.712 -6.662 966 HB3 PRO 37 1HB PRO 37 -12.912 -6.730 -8.118 967 HG2 PRO 37 2HG PRO 37 -14.684 -8.697 -8.181 968 HG3 PRO 37 1HG PRO 37 -13.607 -8.427 -9.571 969 HD2 PRO 37 2HD PRO 37 -13.389 -10.513 -7.402 970 HD3 PRO 37 1HD PRO 37 -13.152 -10.675 -9.157 971 H LYS 38 H LYS 38 -9.300 -6.821 -7.287 972 HA LYS 38 HA LYS 38 -9.097 -7.636 -4.496 973 HB2 LYS 38 2HB LYS 38 -6.694 -8.238 -4.752 974 HB3 LYS 38 1HB LYS 38 -7.781 -9.366 -5.550 975 HG2 LYS 38 2HG LYS 38 -7.179 -8.501 -7.731 976 HG3 LYS 38 1HG LYS 38 -6.273 -7.167 -7.003 977 HD2 LYS 38 2HD LYS 38 -4.774 -8.987 -7.814 978 HD3 LYS 38 1HD LYS 38 -4.629 -8.726 -6.077 979 HE2 LYS 38 2HE LYS 38 -6.176 -10.661 -5.707 980 HE3 LYS 38 1HE LYS 38 -6.165 -10.956 -7.447 981 HZ1 LYS 38 3HZ LYS 38 -4.596 -12.363 -6.252 982 HZ2 LYS 38 1HZ LYS 38 -3.775 -10.997 -5.688 983 HZ3 LYS 38 2HZ LYS 38 -3.801 -11.344 -7.343 984 H TYR 39 H TYR 39 -7.162 -6.486 -3.502 985 HA TYR 39 HA TYR 39 -7.918 -3.709 -3.863 986 HB2 TYR 39 2HB TYR 39 -6.344 -5.046 -1.630 987 HB3 TYR 39 1HB TYR 39 -7.115 -3.458 -1.574 988 HD1 TYR 39 HD1 TYR 39 -7.730 -7.120 -1.552 989 HD2 TYR 39 HD2 TYR 39 -9.563 -3.273 -1.291 990 HE1 TYR 39 HE1 TYR 39 -9.814 -8.172 -0.801 991 HE2 TYR 39 HE2 TYR 39 -11.648 -4.324 -0.532 992 HH TYR 39 HH TYR 39 -11.843 -7.656 0.339 993 H ASP 40 H ASP 40 -6.620 -2.204 -4.511 994 HA ASP 40 HA ASP 40 -3.776 -2.728 -5.131 995 HB2 ASP 40 2HB ASP 40 -5.182 -2.830 -7.183 996 HB3 ASP 40 1HB ASP 40 -5.801 -1.216 -6.849 997 H ILE 41 H ILE 41 -2.377 -1.085 -4.640 998 HA ILE 41 HA ILE 41 -3.446 1.503 -3.757 999 HB ILE 41 HB ILE 41 -3.319 0.285 -1.659 1000 HG12 ILE 41 2HG1 ILE 41 -0.982 2.232 -1.872 1001 HG13 ILE 41 1HG1 ILE 41 -2.665 2.688 -1.647 1002 HG21 ILE 41 1HG2 ILE 41 -0.408 -0.315 -2.253 1003 HG22 ILE 41 2HG2 ILE 41 -1.728 -1.484 -2.251 1004 HG23 ILE 41 3HG2 ILE 41 -1.251 -0.691 -0.747 1005 HD11 ILE 41 3HD1 ILE 41 -0.945 1.167 0.313 1006 HD12 ILE 41 1HD1 ILE 41 -2.650 1.566 0.547 1007 HD13 ILE 41 2HD1 ILE 41 -1.451 2.853 0.425 1008 H ARG 42 H ARG 42 -2.401 3.013 -4.684 1009 HA ARG 42 HA ARG 42 0.373 3.212 -5.194 1010 HB2 ARG 42 2HB ARG 42 0.627 2.783 -7.534 1011 HB3 ARG 42 1HB ARG 42 -0.164 1.369 -6.852 1012 HG2 ARG 42 2HG ARG 42 -2.336 2.187 -7.755 1013 HG3 ARG 42 1HG ARG 42 -1.487 3.557 -8.482 1014 HD2 ARG 42 2HD ARG 42 -1.835 1.805 -10.156 1015 HD3 ARG 42 1HD ARG 42 -0.107 1.975 -9.814 1016 HE ARG 42 HE ARG 42 -1.830 -0.138 -8.659 1017 HH11 ARG 42 1HH1 ARG 42 1.273 0.777 -10.058 1018 HH12 ARG 42 2HH1 ARG 42 1.938 -0.820 -9.885 1019 HH21 ARG 42 1HH2 ARG 42 -0.934 -2.178 -8.415 1020 HH22 ARG 42 2HH2 ARG 42 0.690 -2.489 -8.960 1021 H THR 43 H THR 43 0.684 4.901 -7.226 1022 HA THR 43 HA THR 43 -1.170 7.088 -6.654 1023 HB THR 43 HB THR 43 1.588 7.158 -7.969 1024 HG1 THR 43 HG1 THR 43 2.341 7.806 -5.931 1025 HG21 THR 43 3HG2 THR 43 0.182 9.113 -8.513 1026 HG22 THR 43 1HG2 THR 43 1.511 9.572 -7.447 1027 HG23 THR 43 2HG2 THR 43 -0.118 9.386 -6.794 1028 H TRP 44 H TRP 44 -2.643 7.460 -8.195 1029 HA TRP 44 HA TRP 44 -2.252 6.507 -10.984 1030 HB2 TRP 44 2HB TRP 44 -4.836 6.980 -9.414 1031 HB3 TRP 44 1HB TRP 44 -4.781 6.638 -11.133 1032 HD1 TRP 44 HD1 TRP 44 -4.377 4.898 -7.722 1033 HE1 TRP 44 HE1 TRP 44 -4.767 2.373 -8.071 1034 HE3 TRP 44 HE3 TRP 44 -4.480 4.757 -12.841 1035 HZ2 TRP 44 HZ2 TRP 44 -5.013 0.559 -10.196 1036 HZ3 TRP 44 HZ3 TRP 44 -4.796 2.584 -13.951 1037 HH2 TRP 44 HH2 TRP 44 -5.056 0.524 -12.658 1038 H SER 45 H SER 45 -3.319 7.944 -12.578 1039 HA SER 45 HA SER 45 -3.014 10.763 -12.139 1040 HB2 SER 45 2HB SER 45 -4.031 10.938 -14.423 1041 HB3 SER 45 1HB SER 45 -2.716 9.775 -14.373 1042 HG SER 45 HG SER 45 -4.567 8.227 -13.915 1043 HA PRO 46 HA PRO 46 -7.100 11.920 -10.513 1044 HB2 PRO 46 2HB PRO 46 -7.759 14.033 -12.284 1045 HB3 PRO 46 1HB PRO 46 -6.817 14.183 -10.793 1046 HG2 PRO 46 2HG PRO 46 -5.847 13.940 -13.609 1047 HG3 PRO 46 1HG PRO 46 -5.213 14.936 -12.279 1048 HD2 PRO 46 2HD PRO 46 -3.968 12.686 -13.001 1049 HD3 PRO 46 1HD PRO 46 -4.091 13.135 -11.285 1050 H ASP 47 H ASP 47 -6.755 11.013 -13.891 1051 HA ASP 47 HA ASP 47 -9.671 10.489 -14.132 1052 HB2 ASP 47 2HB ASP 47 -8.741 11.975 -15.862 1053 HB3 ASP 47 1HB ASP 47 -7.529 10.776 -16.286 1054 H HIS 48 H HIS 48 -6.864 8.924 -13.314 1055 HA HIS 48 HA HIS 48 -6.165 6.810 -13.058 1056 HB2 HIS 48 2HB HIS 48 -8.997 6.004 -13.794 1057 HB3 HIS 48 1HB HIS 48 -7.799 4.943 -13.058 1058 HD1 HIS 48 HD1 HIS 48 -10.685 6.075 -11.959 1059 HD2 HIS 48 HD2 HIS 48 -6.872 6.956 -10.589 1060 HE1 HIS 48 HE1 HIS 48 -10.971 6.788 -9.580 1061 HE2 HIS 48 HE2 HIS 48 -8.639 7.060 -8.722 1062 H GLU 49 H GLU 49 -6.282 8.138 -15.794 1063 HA GLU 49 HA GLU 49 -6.288 6.022 -17.764 1064 HB2 GLU 49 2HB GLU 49 -5.451 7.811 -19.283 1065 HB3 GLU 49 1HB GLU 49 -6.874 8.329 -18.383 1066 HG2 GLU 49 2HG GLU 49 -5.436 9.577 -16.809 1067 HG3 GLU 49 1HG GLU 49 -4.008 9.077 -17.714 1068 H LYS 50 H LYS 50 -4.055 7.430 -15.580 1069 HA LYS 50 HA LYS 50 -1.785 5.886 -16.676 1070 HB2 LYS 50 2HB LYS 50 -1.722 8.552 -15.185 1071 HB3 LYS 50 1HB LYS 50 -0.313 7.649 -15.691 1072 HG2 LYS 50 2HG LYS 50 -2.267 8.543 -17.796 1073 HG3 LYS 50 1HG LYS 50 -1.197 9.737 -17.070 1074 HD2 LYS 50 2HD LYS 50 -0.165 8.940 -19.095 1075 HD3 LYS 50 1HD LYS 50 0.759 8.320 -17.729 1076 HE2 LYS 50 2HE LYS 50 -0.424 6.147 -17.970 1077 HE3 LYS 50 1HE LYS 50 -1.248 6.776 -19.397 1078 HZ1 LYS 50 3HZ LYS 50 0.645 5.471 -20.042 1079 HZ2 LYS 50 1HZ LYS 50 1.684 6.399 -19.085 1080 HZ3 LYS 50 2HZ LYS 50 0.936 7.085 -20.433 1081 H MET 51 H MET 51 -0.546 4.812 -15.180 1082 HA MET 51 HA MET 51 -1.447 4.701 -12.357 1083 HB2 MET 51 2HB MET 51 -0.864 2.300 -12.349 1084 HB3 MET 51 1HB MET 51 -2.095 2.638 -13.559 1085 HG2 MET 51 2HG MET 51 -0.361 2.586 -15.324 1086 HG3 MET 51 1HG MET 51 0.856 2.215 -14.106 1087 HE1 MET 51 3HE MET 51 -2.866 0.817 -14.325 1088 HE2 MET 51 1HE MET 51 -2.590 -0.660 -15.248 1089 HE3 MET 51 2HE MET 51 -2.347 0.911 -16.009 1090 H GLY 52 H GLY 52 0.338 3.925 -10.882 1091 HA2 GLY 52 2HA GLY 52 3.088 4.157 -11.899 1092 HA3 GLY 52 1HA GLY 52 2.553 5.363 -10.731 1093 H LYS 53 H LYS 53 4.328 4.573 -9.479 1094 HA LYS 53 HA LYS 53 4.840 1.934 -8.816 1095 HB2 LYS 53 2HB LYS 53 5.487 4.325 -7.049 1096 HB3 LYS 53 1HB LYS 53 6.329 2.784 -7.097 1097 HG2 LYS 53 2HG LYS 53 6.312 4.914 -9.247 1098 HG3 LYS 53 1HG LYS 53 7.671 4.451 -8.222 1099 HD2 LYS 53 2HD LYS 53 7.681 2.198 -9.307 1100 HD3 LYS 53 1HD LYS 53 6.352 2.717 -10.350 1101 HE2 LYS 53 2HE LYS 53 7.843 4.549 -11.216 1102 HE3 LYS 53 1HE LYS 53 9.171 3.849 -10.290 1103 HZ1 LYS 53 3HZ LYS 53 9.258 3.089 -12.556 1104 HZ2 LYS 53 1HZ LYS 53 7.664 2.530 -12.486 1105 HZ3 LYS 53 2HZ LYS 53 8.865 1.775 -11.564 1106 H GLY 54 H GLY 54 3.871 0.482 -7.500 1107 HA2 GLY 54 2HA GLY 54 2.747 0.960 -4.993 1108 HA3 GLY 54 1HA GLY 54 1.455 0.987 -6.188 1109 H ILE 55 H ILE 55 0.790 -0.901 -4.836 1110 HA ILE 55 HA ILE 55 1.899 -3.422 -5.834 1111 HB ILE 55 HB ILE 55 3.236 -2.944 -3.816 1112 HG12 ILE 55 2HG1 ILE 55 1.237 -5.183 -3.271 1113 HG13 ILE 55 1HG1 ILE 55 2.665 -5.318 -4.291 1114 HG21 ILE 55 1HG2 ILE 55 1.678 -1.457 -2.631 1115 HG22 ILE 55 2HG2 ILE 55 2.257 -2.740 -1.569 1116 HG23 ILE 55 3HG2 ILE 55 0.634 -2.828 -2.256 1117 HD11 ILE 55 3HD1 ILE 55 2.626 -4.835 -1.316 1118 HD12 ILE 55 1HD1 ILE 55 4.079 -4.878 -2.321 1119 HD13 ILE 55 2HD1 ILE 55 3.078 -6.319 -2.153 1120 H THR 56 H THR 56 0.457 -5.135 -5.664 1121 HA THR 56 HA THR 56 -2.353 -4.430 -5.032 1122 HB THR 56 HB THR 56 -1.619 -6.773 -6.819 1123 HG1 THR 56 HG1 THR 56 -1.995 -4.042 -7.621 1124 HG21 THR 56 3HG2 THR 56 -3.853 -6.340 -7.759 1125 HG22 THR 56 1HG2 THR 56 -4.055 -4.966 -6.667 1126 HG23 THR 56 2HG2 THR 56 -3.944 -6.604 -6.016 1127 H LEU 57 H LEU 57 -3.628 -6.009 -3.984 1128 HA LEU 57 HA LEU 57 -2.264 -7.949 -2.248 1129 HB2 LEU 57 2HB LEU 57 -4.225 -5.799 -1.312 1130 HB3 LEU 57 1HB LEU 57 -3.456 -7.008 -0.296 1131 HG LEU 57 HG LEU 57 -1.989 -4.746 -1.709 1132 HD11 LEU 57 1HD1 LEU 57 -3.458 -3.852 0.033 1133 HD12 LEU 57 2HD1 LEU 57 -1.770 -3.726 0.530 1134 HD13 LEU 57 3HD1 LEU 57 -2.794 -4.994 1.210 1135 HD21 LEU 57 3HD2 LEU 57 -0.559 -6.697 -1.386 1136 HD22 LEU 57 1HD2 LEU 57 -0.998 -6.768 0.324 1137 HD23 LEU 57 2HD2 LEU 57 -0.072 -5.397 -0.298 1138 H SER 58 H SER 58 -3.638 -9.631 -1.630 1139 HA SER 58 HA SER 58 -6.147 -9.947 -3.143 1140 HB2 SER 58 2HB SER 58 -4.541 -12.009 -1.565 1141 HB3 SER 58 1HB SER 58 -5.870 -12.339 -2.683 1142 HG SER 58 HG SER 58 -3.221 -11.795 -3.188 1143 H GLU 59 H GLU 59 -7.815 -11.375 -1.792 1144 HA GLU 59 HA GLU 59 -8.957 -9.993 0.276 1145 HB2 GLU 59 2HB GLU 59 -9.025 -12.972 -0.331 1146 HB3 GLU 59 1HB GLU 59 -10.098 -12.212 0.834 1147 HG2 GLU 59 2HG GLU 59 -10.010 -11.162 -1.986 1148 HG3 GLU 59 1HG GLU 59 -10.880 -12.650 -1.647 1149 H GLU 60 H GLU 60 -6.689 -12.702 0.521 1150 HA GLU 60 HA GLU 60 -6.634 -12.999 3.319 1151 HB2 GLU 60 2HB GLU 60 -4.444 -13.646 1.301 1152 HB3 GLU 60 1HB GLU 60 -4.530 -14.259 2.950 1153 HG2 GLU 60 2HG GLU 60 -6.643 -15.440 2.374 1154 HG3 GLU 60 1HG GLU 60 -6.482 -14.871 0.711 1155 H GLU 61 H GLU 61 -4.442 -11.265 1.120 1156 HA GLU 61 HA GLU 61 -2.535 -10.514 3.082 1157 HB2 GLU 61 2HB GLU 61 -3.002 -9.225 0.345 1158 HB3 GLU 61 1HB GLU 61 -1.514 -9.188 1.293 1159 HG2 GLU 61 2HG GLU 61 -1.253 -11.614 1.032 1160 HG3 GLU 61 1HG GLU 61 -2.770 -11.693 0.140 1161 H PHE 62 H PHE 62 -4.991 -8.577 1.352 1162 HA PHE 62 HA PHE 62 -4.681 -6.218 2.868 1163 HB2 PHE 62 2HB PHE 62 -5.668 -6.316 0.579 1164 HB3 PHE 62 1HB PHE 62 -7.082 -7.139 1.227 1165 HD1 PHE 62 HD2 PHE 62 -5.154 -3.944 1.368 1166 HD2 PHE 62 HD1 PHE 62 -8.888 -5.867 2.160 1167 HE1 PHE 62 HE2 PHE 62 -6.195 -1.763 1.798 1168 HE2 PHE 62 HE1 PHE 62 -9.921 -3.679 2.591 1169 HZ PHE 62 HZ PHE 62 -8.577 -1.624 2.407 1170 H GLY 63 H GLY 63 -6.861 -9.046 3.234 1171 HA2 GLY 63 2HA GLY 63 -8.459 -8.151 5.318 1172 HA3 GLY 63 1HA GLY 63 -7.958 -9.822 5.087 1173 H VAL 64 H VAL 64 -5.268 -9.754 5.531 1174 HA VAL 64 HA VAL 64 -4.963 -9.618 8.329 1175 HB VAL 64 HB VAL 64 -2.860 -9.747 6.121 1176 HG11 VAL 64 1HG1 VAL 64 -1.248 -10.483 7.837 1177 HG12 VAL 64 2HG1 VAL 64 -2.447 -10.190 9.100 1178 HG13 VAL 64 3HG1 VAL 64 -1.816 -8.841 8.153 1179 HG21 VAL 64 3HG2 VAL 64 -3.974 -11.946 7.912 1180 HG22 VAL 64 1HG2 VAL 64 -2.731 -12.147 6.673 1181 HG23 VAL 64 2HG2 VAL 64 -4.376 -11.702 6.212 1182 H LEU 65 H LEU 65 -4.233 -7.257 5.727 1183 HA LEU 65 HA LEU 65 -2.821 -5.361 7.219 1184 HB2 LEU 65 2HB LEU 65 -3.149 -5.397 4.706 1185 HB3 LEU 65 1HB LEU 65 -4.783 -4.813 4.960 1186 HG LEU 65 HG LEU 65 -3.754 -2.741 6.066 1187 HD11 LEU 65 1HD1 LEU 65 -1.545 -3.648 6.586 1188 HD12 LEU 65 2HD1 LEU 65 -1.420 -2.216 5.571 1189 HD13 LEU 65 3HD1 LEU 65 -1.190 -3.817 4.863 1190 HD21 LEU 65 3HD2 LEU 65 -4.647 -2.695 3.785 1191 HD22 LEU 65 1HD2 LEU 65 -3.095 -3.248 3.147 1192 HD23 LEU 65 2HD2 LEU 65 -3.225 -1.665 3.921 1193 H LEU 66 H LEU 66 -6.383 -5.525 6.542 1194 HA LEU 66 HA LEU 66 -7.207 -3.318 8.038 1195 HB2 LEU 66 2HB LEU 66 -8.694 -5.913 7.452 1196 HB3 LEU 66 1HB LEU 66 -9.456 -4.461 8.088 1197 HG LEU 66 HG LEU 66 -8.153 -4.742 5.355 1198 HD11 LEU 66 1HD1 LEU 66 -11.076 -4.423 6.114 1199 HD12 LEU 66 2HD1 LEU 66 -10.310 -5.896 5.514 1200 HD13 LEU 66 3HD1 LEU 66 -10.428 -4.481 4.472 1201 HD21 LEU 66 3HD2 LEU 66 -8.976 -2.463 4.909 1202 HD22 LEU 66 1HD2 LEU 66 -7.796 -2.482 6.218 1203 HD23 LEU 66 2HD2 LEU 66 -9.516 -2.321 6.584 1204 H LYS 67 H LYS 67 -6.913 -6.710 8.985 1205 HA LYS 67 HA LYS 67 -7.938 -6.697 11.572 1206 HB2 LYS 67 2HB LYS 67 -5.732 -8.322 10.261 1207 HB3 LYS 67 1HB LYS 67 -6.222 -8.627 11.924 1208 HG2 LYS 67 2HG LYS 67 -8.367 -9.382 11.292 1209 HG3 LYS 67 1HG LYS 67 -8.244 -8.676 9.678 1210 HD2 LYS 67 2HD LYS 67 -8.012 -11.222 9.818 1211 HD3 LYS 67 1HD LYS 67 -6.752 -10.370 8.926 1212 HE2 LYS 67 2HE LYS 67 -5.834 -12.157 10.368 1213 HE3 LYS 67 1HE LYS 67 -5.233 -10.569 10.842 1214 HZ1 LYS 67 3HZ LYS 67 -5.841 -11.820 12.774 1215 HZ2 LYS 67 1HZ LYS 67 -7.386 -12.117 12.171 1216 HZ3 LYS 67 2HZ LYS 67 -6.936 -10.551 12.600 1217 H GLU 68 H GLU 68 -4.510 -6.409 10.629 1218 HA GLU 68 HA GLU 68 -3.718 -5.919 13.343 1219 HB2 GLU 68 2HB GLU 68 -2.032 -5.779 10.819 1220 HB3 GLU 68 1HB GLU 68 -1.424 -5.831 12.467 1221 HG2 GLU 68 2HG GLU 68 -2.796 -8.026 10.910 1222 HG3 GLU 68 1HG GLU 68 -1.162 -8.013 11.572 1223 H LEU 69 H LEU 69 -4.485 -3.835 10.614 1224 HA LEU 69 HA LEU 69 -3.319 -1.447 11.689 1225 HB2 LEU 69 2HB LEU 69 -5.625 -1.845 9.746 1226 HB3 LEU 69 1HB LEU 69 -5.081 -0.248 10.244 1227 HG LEU 69 HG LEU 69 -3.402 -2.293 8.742 1228 HD11 LEU 69 1HD1 LEU 69 -5.153 -1.337 7.341 1229 HD12 LEU 69 2HD1 LEU 69 -3.566 -0.759 6.845 1230 HD13 LEU 69 3HD1 LEU 69 -4.638 0.295 7.775 1231 HD21 LEU 69 3HD2 LEU 69 -1.758 -0.504 8.501 1232 HD22 LEU 69 1HD2 LEU 69 -2.001 -0.930 10.193 1233 HD23 LEU 69 2HD2 LEU 69 -2.720 0.545 9.544 1234 H GLY 70 H GLY 70 -6.561 -2.897 11.858 1235 HA2 GLY 70 2HA GLY 70 -7.841 -1.019 13.503 1236 HA3 GLY 70 1HA GLY 70 -8.258 -2.721 13.389 1237 H ASN 71 H ASN 71 -5.754 -3.735 14.297 1238 HA ASN 71 HA ASN 71 -5.969 -3.566 17.163 1239 HB2 ASN 71 2HB ASN 71 -3.680 -4.667 15.458 1240 HB3 ASN 71 1HB ASN 71 -3.848 -4.907 17.196 1241 HD21 ASN 71 1HD2 ASN 71 -3.673 -6.917 15.147 1242 HD22 ASN 71 2HD2 ASN 71 -5.127 -7.845 15.236 1243 H LYS 72 H LYS 72 -3.249 -2.679 15.071 1244 HA LYS 72 HA LYS 72 -1.804 -1.015 16.692 1245 HB2 LYS 72 2HB LYS 72 -2.072 -0.882 13.674 1246 HB3 LYS 72 1HB LYS 72 -0.846 0.004 14.583 1247 HG2 LYS 72 2HG LYS 72 0.050 -2.154 15.444 1248 HG3 LYS 72 1HG LYS 72 -1.153 -3.012 14.479 1249 HD2 LYS 72 2HD LYS 72 0.998 -3.014 13.315 1250 HD3 LYS 72 1HD LYS 72 -0.176 -2.051 12.411 1251 HE2 LYS 72 2HE LYS 72 2.008 -0.942 12.483 1252 HE3 LYS 72 1HE LYS 72 0.803 0.015 13.342 1253 HZ1 LYS 72 3HZ LYS 72 2.768 -1.814 14.620 1254 HZ2 LYS 72 1HZ LYS 72 1.660 -0.834 15.431 1255 HZ3 LYS 72 2HZ LYS 72 2.915 -0.134 14.544 1256 H LEU 73 H LEU 73 -4.914 -0.131 15.552 1257 HA LEU 73 HA LEU 73 -4.571 2.717 15.706 1258 HB2 LEU 73 2HB LEU 73 -7.047 0.960 15.843 1259 HB3 LEU 73 1HB LEU 73 -7.123 2.713 15.946 1260 HG LEU 73 HG LEU 73 -6.170 1.092 13.553 1261 HD11 LEU 73 1HD1 LEU 73 -8.598 2.874 13.870 1262 HD12 LEU 73 2HD1 LEU 73 -8.601 1.110 13.785 1263 HD13 LEU 73 3HD1 LEU 73 -8.099 2.057 12.384 1264 HD21 LEU 73 3HD2 LEU 73 -5.899 3.230 12.374 1265 HD22 LEU 73 1HD2 LEU 73 -4.804 3.108 13.749 1266 HD23 LEU 73 2HD2 LEU 73 -6.255 4.105 13.865 1267 H GLU 74 H GLU 74 -4.115 0.511 18.065 1268 HA GLU 74 HA GLU 74 -5.287 1.576 20.385 1269 HB2 GLU 74 2HB GLU 74 -3.321 0.573 21.616 1270 HB3 GLU 74 1HB GLU 74 -4.136 -0.550 20.538 1271 HG2 GLU 74 2HG GLU 74 -2.366 -0.389 18.899 1272 HG3 GLU 74 1HG GLU 74 -1.602 0.927 19.787 1273 H HIS 75 H HIS 75 -2.174 2.363 18.836 1274 HA HIS 75 HA HIS 75 -1.735 4.814 20.271 1275 HB2 HIS 75 2HB HIS 75 0.141 3.666 19.166 1276 HB3 HIS 75 1HB HIS 75 -0.643 3.795 17.597 1277 HD1 HIS 75 HD1 HIS 75 -0.386 6.016 16.325 1278 HD2 HIS 75 HD2 HIS 75 1.326 6.092 20.113 1279 HE1 HIS 75 HE1 HIS 75 0.947 8.145 16.422 1280 HE2 HIS 75 HE2 HIS 75 2.054 8.115 18.677 1281 H HIS 76 H HIS 76 -3.081 6.549 20.064 1282 HA HIS 76 HA HIS 76 -4.777 6.921 17.772 1283 HB2 HIS 76 2HB HIS 76 -5.559 8.968 18.865 1284 HB3 HIS 76 1HB HIS 76 -5.546 7.624 19.992 1285 HD1 HIS 76 HD1 HIS 76 -4.055 10.982 19.383 1286 HD2 HIS 76 HD2 HIS 76 -3.723 7.898 22.141 1287 HE1 HIS 76 HE1 HIS 76 -2.830 11.958 21.346 1288 HE2 HIS 76 HE2 HIS 76 -2.545 10.046 22.948 1289 H HIS 77 H HIS 77 -4.237 7.833 15.908 1290 HA HIS 77 HA HIS 77 -1.623 8.984 15.510 1291 HB2 HIS 77 2HB HIS 77 -2.442 9.234 13.078 1292 HB3 HIS 77 1HB HIS 77 -2.295 7.606 13.715 1293 HD1 HIS 77 HD1 HIS 77 -4.278 6.133 13.468 1294 HD2 HIS 77 HD2 HIS 77 -5.276 10.129 12.982 1295 HE1 HIS 77 HE1 HIS 77 -6.692 6.149 12.812 1296 HE2 HIS 77 HE2 HIS 77 -7.314 8.573 12.752 1297 H HIS 78 H HIS 78 -1.570 10.850 16.707 1298 HA HIS 78 HA HIS 78 -3.077 13.158 15.607 1299 HB2 HIS 78 2HB HIS 78 -3.682 12.774 17.963 1300 HB3 HIS 78 1HB HIS 78 -1.984 12.766 18.427 1301 HD1 HIS 78 HD1 HIS 78 -4.776 15.078 17.463 1302 HD2 HIS 78 HD2 HIS 78 -0.807 15.325 18.679 1303 HE1 HIS 78 HE1 HIS 78 -4.363 17.504 17.949 1304 HE2 HIS 78 HE2 HIS 78 -1.932 17.645 18.563 1305 H HIS 79 H HIS 79 -1.775 14.085 14.204 1306 HA HIS 79 HA HIS 79 1.076 14.082 14.258 1307 HB2 HIS 79 2HB HIS 79 -0.444 14.395 12.213 1308 HB3 HIS 79 1HB HIS 79 -0.729 16.040 12.757 1309 HD1 HIS 79 HD1 HIS 79 1.527 14.032 10.720 1310 HD2 HIS 79 HD2 HIS 79 1.784 17.637 12.768 1311 HE1 HIS 79 HE1 HIS 79 3.557 15.191 9.812 1312 HE2 HIS 79 HE2 HIS 79 3.558 17.438 10.912 1313 H HIS 80 H HIS 80 2.472 15.563 15.168 1314 HA HIS 80 HA HIS 80 1.361 17.695 16.857 1315 HB2 HIS 80 2HB HIS 80 4.143 16.437 16.738 1316 HB3 HIS 80 1HB HIS 80 3.710 17.775 17.801 1317 HD1 HIS 80 HD1 HIS 80 2.646 17.193 19.997 1318 HD2 HIS 80 HD2 HIS 80 2.700 13.965 17.381 1319 HE1 HIS 80 HE1 HIS 80 1.881 15.221 21.346 1320 HE2 HIS 80 HE2 HIS 80 2.111 13.255 19.798 Start of MODEL 6 1 H1 MET 1 1H MET 1 17.606 17.714 -0.785 2 H2 MET 1 2H MET 1 15.933 17.739 -0.983 3 H3 MET 1 3H MET 1 16.871 18.998 -1.597 4 HA MET 1 HA MET 1 16.119 17.492 -3.318 5 HB2 MET 1 2HB MET 1 19.113 17.599 -2.771 6 HB3 MET 1 1HB MET 1 18.447 16.977 -4.280 7 HG2 MET 1 2HG MET 1 18.134 19.790 -3.209 8 HG3 MET 1 1HG MET 1 19.129 19.279 -4.579 9 HE1 MET 1 3HE MET 1 17.047 21.656 -4.829 10 HE2 MET 1 1HE MET 1 16.199 21.273 -6.329 11 HE3 MET 1 2HE MET 1 17.948 21.081 -6.234 12 H ALA 2 H ALA 2 16.392 15.438 -4.358 13 HA ALA 2 HA ALA 2 17.171 13.154 -2.654 14 HB1 ALA 2 3HB ALA 2 14.713 13.349 -2.497 15 HB2 ALA 2 1HB ALA 2 15.167 11.902 -3.401 16 HB3 ALA 2 2HB ALA 2 14.582 13.332 -4.256 17 H ASP 3 H ASP 3 19.058 13.730 -4.094 18 HA ASP 3 HA ASP 3 19.085 12.999 -6.865 19 HB2 ASP 3 2HB ASP 3 20.837 14.460 -6.064 20 HB3 ASP 3 1HB ASP 3 21.272 13.354 -4.767 21 H LYS 4 H LYS 4 20.406 11.392 -3.968 22 HA LYS 4 HA LYS 4 19.618 8.740 -4.984 23 HB2 LYS 4 2HB LYS 4 22.046 8.902 -5.291 24 HB3 LYS 4 1HB LYS 4 22.258 9.574 -3.680 25 HG2 LYS 4 2HG LYS 4 22.998 7.276 -3.682 26 HG3 LYS 4 1HG LYS 4 21.535 7.397 -2.703 27 HD2 LYS 4 2HD LYS 4 20.205 6.501 -4.593 28 HD3 LYS 4 1HD LYS 4 21.672 6.386 -5.572 29 HE2 LYS 4 2HE LYS 4 21.149 4.881 -2.985 30 HE3 LYS 4 1HE LYS 4 21.037 4.204 -4.610 31 HZ1 LYS 4 3HZ LYS 4 23.132 3.622 -3.660 32 HZ2 LYS 4 1HZ LYS 4 23.483 5.234 -3.287 33 HZ3 LYS 4 2HZ LYS 4 23.413 4.740 -4.899 34 H LEU 5 H LEU 5 18.773 7.404 -3.322 35 HA LEU 5 HA LEU 5 18.291 8.754 -0.737 36 HB2 LEU 5 2HB LEU 5 16.712 6.498 -2.041 37 HB3 LEU 5 1HB LEU 5 16.378 7.185 -0.459 38 HG LEU 5 HG LEU 5 16.073 8.577 -3.147 39 HD11 LEU 5 1HD1 LEU 5 13.702 8.681 -2.580 40 HD12 LEU 5 2HD1 LEU 5 14.007 7.845 -1.055 41 HD13 LEU 5 3HD1 LEU 5 14.267 7.008 -2.590 42 HD21 LEU 5 3HD2 LEU 5 15.676 9.765 -0.380 43 HD22 LEU 5 1HD2 LEU 5 15.222 10.532 -1.905 44 HD23 LEU 5 2HD2 LEU 5 16.918 10.218 -1.550 45 H LYS 6 H LYS 6 18.563 7.638 1.126 46 HA LYS 6 HA LYS 6 19.852 4.964 1.115 47 HB2 LYS 6 2HB LYS 6 20.010 7.221 3.192 48 HB3 LYS 6 1HB LYS 6 20.702 5.618 3.408 49 HG2 LYS 6 2HG LYS 6 21.529 7.544 1.220 50 HG3 LYS 6 1HG LYS 6 22.353 7.406 2.771 51 HD2 LYS 6 2HD LYS 6 22.062 5.157 0.737 52 HD3 LYS 6 1HD LYS 6 23.504 6.152 0.960 53 HE2 LYS 6 2HE LYS 6 23.720 5.333 3.280 54 HE3 LYS 6 1HE LYS 6 22.276 4.340 3.067 55 HZ1 LYS 6 3HZ LYS 6 23.445 3.133 1.313 56 HZ2 LYS 6 1HZ LYS 6 24.254 3.026 2.789 57 HZ3 LYS 6 2HZ LYS 6 24.828 4.057 1.586 58 H PHE 7 H PHE 7 18.855 3.510 2.843 59 HA PHE 7 HA PHE 7 16.233 4.449 3.773 60 HB2 PHE 7 2HB PHE 7 15.162 2.331 3.095 61 HB3 PHE 7 1HB PHE 7 15.775 3.194 1.701 62 HD1 PHE 7 HD1 PHE 7 17.899 2.354 0.557 63 HD2 PHE 7 HD2 PHE 7 15.855 0.078 3.553 64 HE1 PHE 7 HE1 PHE 7 19.028 0.304 -0.219 65 HE2 PHE 7 HE2 PHE 7 16.987 -1.962 2.772 66 HZ PHE 7 HZ PHE 7 18.569 -1.853 0.887 67 H GLU 8 H GLU 8 15.907 3.955 5.862 68 HA GLU 8 HA GLU 8 17.534 1.865 7.164 69 HB2 GLU 8 2HB GLU 8 18.385 4.174 7.699 70 HB3 GLU 8 1HB GLU 8 16.786 4.611 8.292 71 HG2 GLU 8 2HG GLU 8 16.972 2.875 10.053 72 HG3 GLU 8 1HG GLU 8 18.589 2.469 9.471 73 H ILE 9 H ILE 9 16.125 0.356 7.956 74 HA ILE 9 HA ILE 9 13.285 0.914 7.924 75 HB ILE 9 HB ILE 9 14.772 -1.643 8.688 76 HG12 ILE 9 2HG1 ILE 9 13.293 -0.856 6.127 77 HG13 ILE 9 1HG1 ILE 9 15.038 -0.976 6.298 78 HG21 ILE 9 1HG2 ILE 9 12.553 -1.547 9.798 79 HG22 ILE 9 2HG2 ILE 9 12.568 -2.779 8.536 80 HG23 ILE 9 3HG2 ILE 9 11.780 -1.227 8.242 81 HD11 ILE 9 3HD1 ILE 9 13.069 -3.249 6.460 82 HD12 ILE 9 1HD1 ILE 9 14.815 -3.390 6.687 83 HD13 ILE 9 2HD1 ILE 9 14.164 -2.879 5.130 84 H ILE 10 H ILE 10 12.504 2.002 9.473 85 HA ILE 10 HA ILE 10 13.747 2.479 12.028 86 HB ILE 10 HB ILE 10 11.151 3.422 10.731 87 HG12 ILE 10 2HG1 ILE 10 13.129 4.345 9.664 88 HG13 ILE 10 1HG1 ILE 10 12.354 5.623 10.589 89 HG21 ILE 10 1HG2 ILE 10 10.913 5.103 12.534 90 HG22 ILE 10 2HG2 ILE 10 12.228 4.331 13.422 91 HG23 ILE 10 3HG2 ILE 10 10.728 3.449 13.124 92 HD11 ILE 10 3HD1 ILE 10 14.742 5.765 10.807 93 HD12 ILE 10 1HD1 ILE 10 14.840 4.095 11.358 94 HD13 ILE 10 2HD1 ILE 10 14.054 5.313 12.366 95 H GLU 11 H GLU 11 10.934 0.751 10.774 96 HA GLU 11 HA GLU 11 10.783 -0.981 13.077 97 HB2 GLU 11 2HB GLU 11 9.552 1.087 13.815 98 HB3 GLU 11 1HB GLU 11 8.450 0.905 12.456 99 HG2 GLU 11 2HG GLU 11 7.503 -1.100 13.385 100 HG3 GLU 11 1HG GLU 11 8.770 -1.215 14.605 101 H GLU 12 H GLU 12 9.628 -2.865 12.563 102 HA GLU 12 HA GLU 12 8.515 -3.146 9.817 103 HB2 GLU 12 2HB GLU 12 9.346 -5.267 11.852 104 HB3 GLU 12 1HB GLU 12 8.634 -5.615 10.276 105 HG2 GLU 12 2HG GLU 12 10.573 -4.691 9.131 106 HG3 GLU 12 1HG GLU 12 11.257 -4.145 10.664 107 H LEU 13 H LEU 13 6.289 -3.458 9.586 108 HA LEU 13 HA LEU 13 4.812 -2.984 12.132 109 HB2 LEU 13 2HB LEU 13 3.984 -2.297 9.289 110 HB3 LEU 13 1HB LEU 13 3.157 -1.809 10.764 111 HG LEU 13 HG LEU 13 5.990 -0.945 10.047 112 HD11 LEU 13 1HD1 LEU 13 5.005 1.264 9.531 113 HD12 LEU 13 2HD1 LEU 13 3.393 0.550 9.665 114 HD13 LEU 13 3HD1 LEU 13 4.509 -0.008 8.417 115 HD21 LEU 13 3HD2 LEU 13 5.688 0.735 11.817 116 HD22 LEU 13 1HD2 LEU 13 5.582 -0.909 12.444 117 HD23 LEU 13 2HD2 LEU 13 4.113 0.043 12.214 118 H ILE 14 H ILE 14 4.131 -4.462 8.921 119 HA ILE 14 HA ILE 14 2.620 -6.678 10.181 120 HB ILE 14 HB ILE 14 1.373 -4.957 7.957 121 HG12 ILE 14 2HG1 ILE 14 0.528 -4.920 10.897 122 HG13 ILE 14 1HG1 ILE 14 1.475 -3.655 10.128 123 HG21 ILE 14 1HG2 ILE 14 0.166 -7.156 9.689 124 HG22 ILE 14 2HG2 ILE 14 0.630 -7.313 7.993 125 HG23 ILE 14 3HG2 ILE 14 -0.689 -6.235 8.448 126 HD11 ILE 14 3HD1 ILE 14 -0.376 -3.149 8.636 127 HD12 ILE 14 1HD1 ILE 14 -0.863 -3.044 10.327 128 HD13 ILE 14 2HD1 ILE 14 -1.335 -4.443 9.362 129 H VAL 15 H VAL 15 3.217 -8.572 9.081 130 HA VAL 15 HA VAL 15 3.955 -8.421 6.220 131 HB VAL 15 HB VAL 15 3.939 -10.855 8.079 132 HG11 VAL 15 1HG1 VAL 15 5.160 -12.041 6.296 133 HG12 VAL 15 2HG1 VAL 15 5.032 -10.631 5.242 134 HG13 VAL 15 3HG1 VAL 15 3.578 -11.511 5.718 135 HG21 VAL 15 3HG2 VAL 15 5.667 -9.232 8.719 136 HG22 VAL 15 1HG2 VAL 15 6.286 -9.209 7.065 137 HG23 VAL 15 2HG2 VAL 15 6.402 -10.682 8.033 138 H LEU 16 H LEU 16 2.498 -8.862 4.678 139 HA LEU 16 HA LEU 16 -0.246 -9.656 5.433 140 HB2 LEU 16 2HB LEU 16 0.805 -8.430 2.844 141 HB3 LEU 16 1HB LEU 16 -0.887 -8.662 3.270 142 HG LEU 16 HG LEU 16 1.033 -6.815 4.745 143 HD11 LEU 16 1HD1 LEU 16 0.572 -5.943 2.514 144 HD12 LEU 16 2HD1 LEU 16 -0.213 -4.952 3.742 145 HD13 LEU 16 3HD1 LEU 16 -1.166 -6.094 2.785 146 HD21 LEU 16 3HD2 LEU 16 -0.716 -7.707 6.203 147 HD22 LEU 16 1HD2 LEU 16 -1.959 -7.170 5.070 148 HD23 LEU 16 2HD2 LEU 16 -0.954 -5.987 5.909 149 H SER 17 H SER 17 2.561 -10.713 3.631 150 HA SER 17 HA SER 17 1.518 -13.296 3.045 151 HB2 SER 17 2HB SER 17 0.375 -11.932 1.259 152 HB3 SER 17 1HB SER 17 1.955 -11.435 0.653 153 HG SER 17 HG SER 17 0.575 -13.636 0.086 154 H GLU 18 H GLU 18 3.134 -14.680 2.313 155 HA GLU 18 HA GLU 18 5.914 -13.679 1.959 156 HB2 GLU 18 2HB GLU 18 5.790 -14.463 4.281 157 HB3 GLU 18 1HB GLU 18 5.043 -15.979 3.778 158 HG2 GLU 18 2HG GLU 18 7.136 -16.611 2.589 159 HG3 GLU 18 1HG GLU 18 7.875 -15.092 3.107 160 H ASN 19 H ASN 19 7.091 -14.788 0.384 161 HA ASN 19 HA ASN 19 5.372 -16.367 -1.459 162 HB2 ASN 19 2HB ASN 19 6.740 -14.300 -2.137 163 HB3 ASN 19 1HB ASN 19 8.182 -15.280 -1.958 164 HD21 ASN 19 1HD2 ASN 19 7.305 -13.896 -4.259 165 HD22 ASN 19 2HD2 ASN 19 7.084 -15.052 -5.523 166 H ALA 20 H ALA 20 6.186 -18.344 -2.494 167 HA ALA 20 HA ALA 20 7.640 -20.247 -0.988 168 HB1 ALA 20 3HB ALA 20 7.234 -20.094 -3.993 169 HB2 ALA 20 1HB ALA 20 6.130 -20.834 -2.837 170 HB3 ALA 20 2HB ALA 20 7.729 -21.538 -3.097 171 H LYS 21 H LYS 21 8.646 -17.679 -3.060 172 HA LYS 21 HA LYS 21 11.472 -18.446 -3.184 173 HB2 LYS 21 2HB LYS 21 10.083 -15.883 -4.094 174 HB3 LYS 21 1HB LYS 21 11.744 -16.337 -4.452 175 HG2 LYS 21 2HG LYS 21 9.254 -17.767 -5.429 176 HG3 LYS 21 1HG LYS 21 10.281 -16.703 -6.386 177 HD2 LYS 21 2HD LYS 21 11.306 -19.277 -5.126 178 HD3 LYS 21 1HD LYS 21 10.596 -19.229 -6.735 179 HE2 LYS 21 2HE LYS 21 12.994 -19.185 -6.974 180 HE3 LYS 21 1HE LYS 21 12.391 -17.590 -7.410 181 HZ1 LYS 21 3HZ LYS 21 14.415 -17.568 -6.023 182 HZ2 LYS 21 1HZ LYS 21 13.549 -18.279 -4.758 183 HZ3 LYS 21 2HZ LYS 21 13.131 -16.735 -5.310 184 H GLY 22 H GLY 22 9.340 -16.840 -1.115 185 HA2 GLY 22 2HA GLY 22 9.988 -16.441 1.150 186 HA3 GLY 22 1HA GLY 22 11.479 -15.703 0.572 187 H TRP 23 H TRP 23 10.020 -14.375 -1.652 188 HA TRP 23 HA TRP 23 10.141 -11.842 -0.698 189 HB2 TRP 23 2HB TRP 23 8.663 -12.965 -3.094 190 HB3 TRP 23 1HB TRP 23 8.659 -11.235 -2.769 191 HD1 TRP 23 HD1 TRP 23 11.298 -14.055 -3.306 192 HE1 TRP 23 HE1 TRP 23 13.323 -13.031 -4.486 193 HE3 TRP 23 HE3 TRP 23 9.753 -9.167 -3.499 194 HZ2 TRP 23 HZ2 TRP 23 14.154 -10.497 -5.437 195 HZ3 TRP 23 HZ3 TRP 23 11.222 -7.508 -4.576 196 HH2 TRP 23 HH2 TRP 23 13.377 -8.164 -5.524 197 H ARG 24 H ARG 24 9.042 -10.724 0.752 198 HA ARG 24 HA ARG 24 6.376 -11.636 1.593 199 HB2 ARG 24 2HB ARG 24 8.524 -10.021 3.024 200 HB3 ARG 24 1HB ARG 24 6.914 -10.305 3.679 201 HG2 ARG 24 2HG ARG 24 7.348 -12.747 3.655 202 HG3 ARG 24 1HG ARG 24 8.978 -12.442 3.048 203 HD2 ARG 24 2HD ARG 24 9.536 -11.219 5.102 204 HD3 ARG 24 1HD ARG 24 7.884 -11.432 5.699 205 HE ARG 24 HE ARG 24 8.851 -13.973 5.189 206 HH11 ARG 24 1HH1 ARG 24 9.779 -11.332 7.337 207 HH12 ARG 24 2HH1 ARG 24 10.440 -12.393 8.538 208 HH21 ARG 24 1HH2 ARG 24 9.676 -15.342 6.782 209 HH22 ARG 24 2HH2 ARG 24 10.381 -14.673 8.221 210 H LYS 25 H LYS 25 4.693 -10.446 0.881 211 HA LYS 25 HA LYS 25 5.019 -7.633 0.139 212 HB2 LYS 25 2HB LYS 25 2.474 -9.325 0.283 213 HB3 LYS 25 1HB LYS 25 2.568 -7.669 -0.315 214 HG2 LYS 25 2HG LYS 25 4.200 -8.525 -2.075 215 HG3 LYS 25 1HG LYS 25 3.762 -10.156 -1.567 216 HD2 LYS 25 2HD LYS 25 1.909 -8.048 -2.742 217 HD3 LYS 25 1HD LYS 25 2.444 -9.537 -3.522 218 HE2 LYS 25 2HE LYS 25 1.198 -10.871 -1.885 219 HE3 LYS 25 1HE LYS 25 0.720 -9.405 -1.023 220 HZ1 LYS 25 3HZ LYS 25 -0.009 -10.072 -3.816 221 HZ2 LYS 25 1HZ LYS 25 -0.481 -8.687 -2.977 222 HZ3 LYS 25 2HZ LYS 25 -1.027 -10.204 -2.479 223 H GLU 26 H GLU 26 5.363 -6.367 1.830 224 HA GLU 26 HA GLU 26 3.734 -6.661 4.285 225 HB2 GLU 26 2HB GLU 26 5.828 -6.388 5.636 226 HB3 GLU 26 1HB GLU 26 5.810 -7.874 4.690 227 HG2 GLU 26 2HG GLU 26 7.312 -6.899 3.034 228 HG3 GLU 26 1HG GLU 26 7.263 -5.341 3.854 229 H LEU 27 H LEU 27 3.975 -4.926 5.745 230 HA LEU 27 HA LEU 27 4.444 -2.250 4.634 231 HB2 LEU 27 2HB LEU 27 2.090 -2.721 5.281 232 HB3 LEU 27 1HB LEU 27 2.615 -3.234 6.875 233 HG LEU 27 HG LEU 27 3.383 -0.891 7.334 234 HD11 LEU 27 1HD1 LEU 27 2.618 0.959 5.912 235 HD12 LEU 27 2HD1 LEU 27 2.045 -0.200 4.709 236 HD13 LEU 27 3HD1 LEU 27 3.768 -0.083 5.075 237 HD21 LEU 27 3HD2 LEU 27 0.451 -1.175 6.625 238 HD22 LEU 27 1HD2 LEU 27 1.140 0.031 7.715 239 HD23 LEU 27 2HD2 LEU 27 1.212 -1.678 8.136 240 H ASN 28 H ASN 28 6.324 -1.504 5.360 241 HA ASN 28 HA ASN 28 7.164 -1.854 8.172 242 HB2 ASN 28 2HB ASN 28 9.477 -2.230 7.551 243 HB3 ASN 28 1HB ASN 28 8.508 -3.401 6.676 244 HD21 ASN 28 1HD2 ASN 28 7.695 -1.514 4.528 245 HD22 ASN 28 2HD2 ASN 28 9.111 -1.225 3.590 246 H ARG 29 H ARG 29 8.396 -0.027 8.964 247 HA ARG 29 HA ARG 29 7.748 2.480 7.565 248 HB2 ARG 29 2HB ARG 29 6.741 2.208 9.831 249 HB3 ARG 29 1HB ARG 29 8.339 2.000 10.532 250 HG2 ARG 29 2HG ARG 29 8.913 4.262 10.226 251 HG3 ARG 29 1HG ARG 29 7.679 4.505 8.983 252 HD2 ARG 29 2HD ARG 29 7.097 5.617 11.107 253 HD3 ARG 29 1HD ARG 29 5.914 4.396 10.646 254 HE ARG 29 HE ARG 29 7.290 2.930 12.311 255 HH11 ARG 29 1HH1 ARG 29 6.539 6.348 12.736 256 HH12 ARG 29 2HH1 ARG 29 6.544 6.246 14.469 257 HH21 ARG 29 1HH2 ARG 29 7.242 2.817 14.586 258 HH22 ARG 29 2HH2 ARG 29 6.940 4.258 15.512 259 H VAL 30 H VAL 30 9.383 3.625 6.794 260 HA VAL 30 HA VAL 30 12.195 2.915 7.400 261 HB VAL 30 HB VAL 30 11.015 3.435 4.613 262 HG11 VAL 30 1HG1 VAL 30 13.221 2.765 3.735 263 HG12 VAL 30 2HG1 VAL 30 13.837 2.613 5.384 264 HG13 VAL 30 3HG1 VAL 30 13.344 4.192 4.769 265 HG21 VAL 30 3HG2 VAL 30 11.453 1.048 4.122 266 HG22 VAL 30 1HG2 VAL 30 10.291 1.233 5.440 267 HG23 VAL 30 2HG2 VAL 30 11.963 0.792 5.793 268 H SER 31 H SER 31 13.677 4.597 7.201 269 HA SER 31 HA SER 31 12.700 7.376 6.859 270 HB2 SER 31 2HB SER 31 13.632 7.012 9.113 271 HB3 SER 31 1HB SER 31 15.110 6.338 8.424 272 HG SER 31 HG SER 31 14.676 8.831 9.021 273 H TRP 32 H TRP 32 13.580 8.484 5.162 274 HA TRP 32 HA TRP 32 15.607 7.112 3.507 275 HB2 TRP 32 2HB TRP 32 13.532 9.197 2.697 276 HB3 TRP 32 1HB TRP 32 14.660 8.386 1.609 277 HD1 TRP 32 HD1 TRP 32 11.394 7.770 3.551 278 HE1 TRP 32 HE1 TRP 32 10.324 5.592 2.686 279 HE3 TRP 32 HE3 TRP 32 15.221 6.043 0.596 280 HZ2 TRP 32 HZ2 TRP 32 10.995 3.423 1.045 281 HZ3 TRP 32 HZ3 TRP 32 14.916 3.907 -0.589 282 HH2 TRP 32 HH2 TRP 32 12.847 2.621 -0.370 283 H ASN 33 H ASN 33 17.567 7.899 3.830 284 HA ASN 33 HA ASN 33 19.375 9.289 4.020 285 HB2 ASN 33 2HB ASN 33 17.425 11.277 2.762 286 HB3 ASN 33 1HB ASN 33 19.081 11.729 3.147 287 HD21 ASN 33 1HD2 ASN 33 17.526 11.391 0.574 288 HD22 ASN 33 2HD2 ASN 33 18.584 10.454 -0.407 289 H ASP 34 H ASP 34 18.003 8.771 6.341 290 HA ASP 34 HA ASP 34 17.732 9.354 8.498 291 HB2 ASP 34 2HB ASP 34 19.809 11.418 7.665 292 HB3 ASP 34 1HB ASP 34 19.258 11.282 9.329 293 H ALA 35 H ALA 35 15.725 10.350 6.751 294 HA ALA 35 HA ALA 35 15.020 13.045 7.675 295 HB1 ALA 35 3HB ALA 35 13.183 12.860 6.031 296 HB2 ALA 35 1HB ALA 35 13.630 11.182 5.710 297 HB3 ALA 35 2HB ALA 35 14.737 12.487 5.285 298 H GLU 36 H GLU 36 12.371 13.028 7.922 299 HA GLU 36 HA GLU 36 11.447 11.724 10.160 300 HB2 GLU 36 2HB GLU 36 9.133 12.099 9.222 301 HB3 GLU 36 1HB GLU 36 10.159 13.526 9.164 302 HG2 GLU 36 2HG GLU 36 10.513 13.280 6.784 303 HG3 GLU 36 1HG GLU 36 9.732 11.701 6.776 304 HA PRO 37 HA PRO 37 10.836 7.402 8.740 305 HB2 PRO 37 2HB PRO 37 9.039 7.091 11.097 306 HB3 PRO 37 1HB PRO 37 10.564 6.262 10.736 307 HG2 PRO 37 2HG PRO 37 10.356 8.086 12.721 308 HG3 PRO 37 1HG PRO 37 11.859 7.848 11.799 309 HD2 PRO 37 2HD PRO 37 9.782 10.011 11.505 310 HD3 PRO 37 1HD PRO 37 11.555 10.124 11.423 311 H LYS 38 H LYS 38 9.260 6.612 7.384 312 HA LYS 38 HA LYS 38 6.486 7.454 7.647 313 HB2 LYS 38 2HB LYS 38 6.363 7.992 5.203 314 HB3 LYS 38 1HB LYS 38 7.362 9.122 6.109 315 HG2 LYS 38 2HG LYS 38 9.398 7.984 5.247 316 HG3 LYS 38 1HG LYS 38 8.372 6.869 4.342 317 HD2 LYS 38 2HD LYS 38 9.209 8.660 2.883 318 HD3 LYS 38 1HD LYS 38 7.455 8.748 3.034 319 HE2 LYS 38 2HE LYS 38 7.701 10.572 4.696 320 HE3 LYS 38 1HE LYS 38 9.458 10.486 4.514 321 HZ1 LYS 38 3HZ LYS 38 8.544 12.258 3.177 322 HZ2 LYS 38 1HZ LYS 38 7.516 11.183 2.372 323 HZ3 LYS 38 2HZ LYS 38 9.193 11.065 2.174 324 H TYR 39 H TYR 39 5.136 6.140 6.169 325 HA TYR 39 HA TYR 39 5.785 3.378 6.764 326 HB2 TYR 39 2HB TYR 39 3.246 4.724 5.726 327 HB3 TYR 39 1HB TYR 39 3.363 3.039 6.251 328 HD1 TYR 39 HD1 TYR 39 3.465 6.578 7.428 329 HD2 TYR 39 HD2 TYR 39 3.472 2.483 8.611 330 HE1 TYR 39 HE1 TYR 39 3.159 7.248 9.767 331 HE2 TYR 39 HE2 TYR 39 3.164 3.149 10.951 332 HH TYR 39 HH TYR 39 2.635 6.496 11.856 333 H ASP 40 H ASP 40 6.144 1.841 5.305 334 HA ASP 40 HA ASP 40 6.111 2.494 2.393 335 HB2 ASP 40 2HB ASP 40 8.425 2.572 3.464 336 HB3 ASP 40 1HB ASP 40 8.263 0.857 3.821 337 H ILE 41 H ILE 41 5.209 0.929 1.078 338 HA ILE 41 HA ILE 41 4.646 -1.717 2.227 339 HB ILE 41 HB ILE 41 2.593 -0.463 2.711 340 HG12 ILE 41 2HG1 ILE 41 2.183 -2.438 0.418 341 HG13 ILE 41 1HG1 ILE 41 2.396 -2.867 2.108 342 HG21 ILE 41 1HG2 ILE 41 2.360 0.106 -0.257 343 HG22 ILE 41 2HG2 ILE 41 2.738 1.288 0.995 344 HG23 ILE 41 3HG2 ILE 41 1.156 0.507 0.974 345 HD11 ILE 41 3HD1 ILE 41 0.273 -1.751 2.643 346 HD12 ILE 41 1HD1 ILE 41 0.084 -3.041 1.456 347 HD13 ILE 41 2HD1 ILE 41 0.062 -1.357 0.934 348 H ARG 42 H ARG 42 5.149 -3.192 0.899 349 HA ARG 42 HA ARG 42 4.909 -3.293 -1.920 350 HB2 ARG 42 2HB ARG 42 7.300 -3.094 -2.638 351 HB3 ARG 42 1HB ARG 42 6.621 -1.570 -2.085 352 HG2 ARG 42 2HG ARG 42 7.850 -1.650 -0.039 353 HG3 ARG 42 1HG ARG 42 8.328 -3.330 -0.318 354 HD2 ARG 42 2HD ARG 42 10.062 -1.444 -0.798 355 HD3 ARG 42 1HD ARG 42 9.892 -2.758 -1.959 356 HE ARG 42 HE ARG 42 8.864 -1.310 -3.468 357 HH11 ARG 42 1HH1 ARG 42 9.715 0.431 -0.546 358 HH12 ARG 42 2HH1 ARG 42 9.521 1.984 -1.285 359 HH21 ARG 42 1HH2 ARG 42 8.538 0.708 -4.402 360 HH22 ARG 42 2HH2 ARG 42 8.850 2.145 -3.485 361 H THR 43 H THR 43 6.779 -4.976 -2.805 362 HA THR 43 HA THR 43 6.724 -7.225 -0.937 363 HB THR 43 HB THR 43 7.498 -7.286 -3.894 364 HG1 THR 43 HG1 THR 43 5.021 -6.867 -2.805 365 HG21 THR 43 3HG2 THR 43 6.831 -9.668 -3.698 366 HG22 THR 43 1HG2 THR 43 6.420 -9.419 -1.996 367 HG23 THR 43 2HG2 THR 43 8.095 -9.276 -2.532 368 H TRP 44 H TRP 44 8.556 -7.598 0.091 369 HA TRP 44 HA TRP 44 11.172 -6.570 -0.868 370 HB2 TRP 44 2HB TRP 44 10.160 -7.165 1.964 371 HB3 TRP 44 1HB TRP 44 11.846 -6.847 1.590 372 HD1 TRP 44 HD1 TRP 44 8.496 -5.053 2.072 373 HE1 TRP 44 HE1 TRP 44 8.963 -2.538 2.357 374 HE3 TRP 44 HE3 TRP 44 13.450 -4.974 0.807 375 HZ2 TRP 44 HZ2 TRP 44 11.110 -0.753 2.060 376 HZ3 TRP 44 HZ3 TRP 44 14.640 -2.820 0.831 377 HH2 TRP 44 HH2 TRP 44 13.494 -0.748 1.444 378 H SER 45 H SER 45 12.968 -8.043 -0.205 379 HA SER 45 HA SER 45 12.260 -10.904 -0.051 380 HB2 SER 45 2HB SER 45 14.935 -9.455 -0.201 381 HB3 SER 45 1HB SER 45 14.794 -11.204 0.028 382 HG SER 45 HG SER 45 13.267 -10.222 -2.035 383 HA PRO 46 HA PRO 46 12.484 -11.343 4.469 384 HB2 PRO 46 2HB PRO 46 14.738 -13.274 4.247 385 HB3 PRO 46 1HB PRO 46 13.115 -13.515 4.911 386 HG2 PRO 46 2HG PRO 46 14.045 -14.446 2.445 387 HG3 PRO 46 1HG PRO 46 12.357 -14.412 2.977 388 HD2 PRO 46 2HD PRO 46 13.617 -12.825 0.910 389 HD3 PRO 46 1HD PRO 46 11.908 -12.840 1.393 390 H ASP 47 H ASP 47 15.544 -11.174 2.698 391 HA ASP 47 HA ASP 47 17.176 -10.224 4.850 392 HB2 ASP 47 2HB ASP 47 17.639 -10.257 1.829 393 HB3 ASP 47 1HB ASP 47 18.881 -9.893 3.024 394 H HIS 48 H HIS 48 14.886 -8.641 2.896 395 HA HIS 48 HA HIS 48 14.284 -6.517 2.469 396 HB2 HIS 48 2HB HIS 48 15.820 -6.075 5.043 397 HB3 HIS 48 1HB HIS 48 14.867 -4.808 4.273 398 HD1 HIS 48 HD1 HIS 48 14.547 -7.214 6.854 399 HD2 HIS 48 HD2 HIS 48 12.039 -5.841 3.841 400 HE1 HIS 48 HE1 HIS 48 12.219 -7.815 7.581 401 HE2 HIS 48 HE2 HIS 48 10.734 -6.990 5.734 402 H GLU 49 H GLU 49 17.047 -7.430 1.501 403 HA GLU 49 HA GLU 49 18.352 -4.876 0.887 404 HB2 GLU 49 2HB GLU 49 20.098 -6.278 -0.159 405 HB3 GLU 49 1HB GLU 49 19.773 -6.822 1.484 406 HG2 GLU 49 2HG GLU 49 18.535 -8.737 0.698 407 HG3 GLU 49 1HG GLU 49 18.554 -8.143 -0.959 408 H LYS 50 H LYS 50 16.054 -7.066 -0.392 409 HA LYS 50 HA LYS 50 16.233 -5.955 -3.125 410 HB2 LYS 50 2HB LYS 50 15.171 -8.643 -2.190 411 HB3 LYS 50 1HB LYS 50 15.061 -8.067 -3.839 412 HG2 LYS 50 2HG LYS 50 17.771 -8.347 -2.547 413 HG3 LYS 50 1HG LYS 50 16.927 -9.784 -3.114 414 HD2 LYS 50 2HD LYS 50 18.381 -9.127 -4.883 415 HD3 LYS 50 1HD LYS 50 16.760 -8.670 -5.392 416 HE2 LYS 50 2HE LYS 50 17.257 -6.323 -4.682 417 HE3 LYS 50 1HE LYS 50 18.909 -6.820 -4.308 418 HZ1 LYS 50 3HZ LYS 50 18.853 -5.852 -6.478 419 HZ2 LYS 50 1HZ LYS 50 17.600 -6.877 -6.972 420 HZ3 LYS 50 2HZ LYS 50 19.131 -7.508 -6.651 421 H MET 51 H MET 51 14.351 -5.231 -4.046 422 HA MET 51 HA MET 51 11.875 -5.034 -2.467 423 HB2 MET 51 2HB MET 51 11.776 -2.600 -2.720 424 HB3 MET 51 1HB MET 51 13.269 -3.025 -1.899 425 HG2 MET 51 2HG MET 51 14.505 -2.718 -4.031 426 HG3 MET 51 1HG MET 51 13.002 -2.254 -4.819 427 HE1 MET 51 3HE MET 51 15.038 0.273 -1.505 428 HE2 MET 51 1HE MET 51 15.714 -1.235 -2.120 429 HE3 MET 51 2HE MET 51 14.238 -1.259 -1.152 430 H GLY 52 H GLY 52 10.109 -3.988 -3.862 431 HA2 GLY 52 2HA GLY 52 10.582 -3.916 -6.755 432 HA3 GLY 52 1HA GLY 52 9.484 -5.168 -6.180 433 H LYS 53 H LYS 53 7.810 -4.217 -7.388 434 HA LYS 53 HA LYS 53 6.955 -1.595 -7.352 435 HB2 LYS 53 2HB LYS 53 4.822 -2.344 -8.237 436 HB3 LYS 53 1HB LYS 53 6.107 -3.293 -8.958 437 HG2 LYS 53 2HG LYS 53 4.337 -4.266 -6.695 438 HG3 LYS 53 1HG LYS 53 4.045 -4.597 -8.400 439 HD2 LYS 53 2HD LYS 53 6.184 -5.822 -8.542 440 HD3 LYS 53 1HD LYS 53 6.514 -5.461 -6.844 441 HE2 LYS 53 2HE LYS 53 5.661 -7.744 -7.097 442 HE3 LYS 53 1HE LYS 53 4.518 -6.758 -6.184 443 HZ1 LYS 53 3HZ LYS 53 3.196 -6.500 -8.191 444 HZ2 LYS 53 1HZ LYS 53 3.409 -8.136 -7.823 445 HZ3 LYS 53 2HZ LYS 53 4.300 -7.429 -9.068 446 H GLY 54 H GLY 54 5.932 -0.317 -5.973 447 HA2 GLY 54 2HA GLY 54 4.024 -0.826 -4.070 448 HA3 GLY 54 1HA GLY 54 5.565 -1.054 -3.249 449 H ILE 55 H ILE 55 4.515 0.866 -2.060 450 HA ILE 55 HA ILE 55 5.187 3.419 -3.334 451 HB ILE 55 HB ILE 55 2.846 3.034 -3.974 452 HG12 ILE 55 2HG1 ILE 55 3.008 5.173 -1.799 453 HG13 ILE 55 1HG1 ILE 55 3.499 5.379 -3.477 454 HG21 ILE 55 1HG2 ILE 55 1.012 2.783 -2.361 455 HG22 ILE 55 2HG2 ILE 55 2.167 2.789 -1.028 456 HG23 ILE 55 3HG2 ILE 55 2.181 1.468 -2.196 457 HD11 ILE 55 3HD1 ILE 55 1.161 5.043 -4.184 458 HD12 ILE 55 1HD1 ILE 55 1.352 6.410 -3.086 459 HD13 ILE 55 2HD1 ILE 55 0.684 4.891 -2.489 460 H THR 56 H THR 56 5.653 5.026 -1.904 461 HA THR 56 HA THR 56 5.931 4.289 0.950 462 HB THR 56 HB THR 56 7.373 6.700 -0.226 463 HG1 THR 56 HG1 THR 56 8.303 3.983 -0.277 464 HG21 THR 56 3HG2 THR 56 7.384 6.359 2.231 465 HG22 THR 56 1HG2 THR 56 9.001 6.205 1.536 466 HG23 THR 56 2HG2 THR 56 8.096 4.761 1.996 467 H LEU 57 H LEU 57 5.178 5.748 2.495 468 HA LEU 57 HA LEU 57 2.931 7.476 1.701 469 HB2 LEU 57 2HB LEU 57 2.885 5.054 3.578 470 HB3 LEU 57 1HB LEU 57 1.529 6.136 3.306 471 HG LEU 57 HG LEU 57 2.754 4.404 1.119 472 HD11 LEU 57 1HD1 LEU 57 1.817 2.943 2.847 473 HD12 LEU 57 2HD1 LEU 57 0.827 2.898 1.392 474 HD13 LEU 57 3HD1 LEU 57 0.287 3.823 2.793 475 HD21 LEU 57 3HD2 LEU 57 1.605 6.328 0.224 476 HD22 LEU 57 1HD2 LEU 57 0.197 6.032 1.253 477 HD23 LEU 57 2HD2 LEU 57 0.604 4.905 -0.053 478 H SER 58 H SER 58 2.699 9.167 3.161 479 HA SER 58 HA SER 58 4.656 9.297 5.398 480 HB2 SER 58 2HB SER 58 3.153 11.555 4.014 481 HB3 SER 58 1HB SER 58 4.404 11.733 5.259 482 HG SER 58 HG SER 58 4.643 10.882 2.577 483 H GLU 59 H GLU 59 3.790 10.911 7.188 484 HA GLU 59 HA GLU 59 2.221 9.458 8.868 485 HB2 GLU 59 2HB GLU 59 2.994 12.381 8.797 486 HB3 GLU 59 1HB GLU 59 2.001 11.772 10.111 487 HG2 GLU 59 2HG GLU 59 4.684 10.573 9.393 488 HG3 GLU 59 1HG GLU 59 4.496 11.889 10.546 489 H GLU 60 H GLU 60 1.078 12.416 7.202 490 HA GLU 60 HA GLU 60 -1.519 12.308 8.436 491 HB2 GLU 60 2HB GLU 60 -0.614 14.016 6.076 492 HB3 GLU 60 1HB GLU 60 -2.068 14.263 7.045 493 HG2 GLU 60 2HG GLU 60 -0.605 14.600 9.058 494 HG3 GLU 60 1HG GLU 60 0.799 14.501 7.997 495 H GLU 61 H GLU 61 -0.223 11.277 5.340 496 HA GLU 61 HA GLU 61 -2.687 10.720 4.012 497 HB2 GLU 61 2HB GLU 61 0.135 9.654 3.566 498 HB3 GLU 61 1HB GLU 61 -1.213 9.357 2.468 499 HG2 GLU 61 2HG GLU 61 -1.361 11.636 1.839 500 HG3 GLU 61 1HG GLU 61 -0.355 12.165 3.188 501 H PHE 62 H PHE 62 -0.289 8.569 5.561 502 HA PHE 62 HA PHE 62 -1.777 6.234 5.683 503 HB2 PHE 62 2HB PHE 62 0.708 6.520 6.176 504 HB3 PHE 62 1HB PHE 62 0.256 7.063 7.791 505 HD1 PHE 62 HD2 PHE 62 0.082 4.176 5.426 506 HD2 PHE 62 HD1 PHE 62 -0.305 5.447 9.496 507 HE1 PHE 62 HE2 PHE 62 -0.015 1.829 6.159 508 HE2 PHE 62 HE1 PHE 62 -0.408 3.096 10.211 509 HZ PHE 62 HZ PHE 62 -0.261 1.291 8.546 510 H GLY 63 H GLY 63 -1.796 9.028 7.825 511 HA2 GLY 63 2HA GLY 63 -3.538 8.121 9.784 512 HA3 GLY 63 1HA GLY 63 -3.377 9.785 9.244 513 H VAL 64 H VAL 64 -4.277 9.710 6.642 514 HA VAL 64 HA VAL 64 -7.074 9.666 6.766 515 HB VAL 64 HB VAL 64 -5.222 9.496 4.341 516 HG11 VAL 64 1HG1 VAL 64 -7.398 8.601 3.663 517 HG12 VAL 64 2HG1 VAL 64 -7.133 10.178 2.928 518 HG13 VAL 64 3HG1 VAL 64 -8.217 10.026 4.313 519 HG21 VAL 64 3HG2 VAL 64 -5.008 11.580 5.643 520 HG22 VAL 64 1HG2 VAL 64 -6.744 11.869 5.497 521 HG23 VAL 64 2HG2 VAL 64 -5.715 11.901 4.061 522 H LEU 65 H LEU 65 -4.771 7.147 5.639 523 HA LEU 65 HA LEU 65 -6.585 5.223 4.748 524 HB2 LEU 65 2HB LEU 65 -4.081 5.221 4.516 525 HB3 LEU 65 1HB LEU 65 -3.960 4.713 6.183 526 HG LEU 65 HG LEU 65 -5.292 2.628 5.515 527 HD11 LEU 65 1HD1 LEU 65 -6.283 3.453 3.443 528 HD12 LEU 65 2HD1 LEU 65 -5.319 2.013 3.135 529 HD13 LEU 65 3HD1 LEU 65 -4.685 3.605 2.708 530 HD21 LEU 65 3HD2 LEU 65 -2.579 3.032 4.209 531 HD22 LEU 65 1HD2 LEU 65 -3.337 1.475 4.556 532 HD23 LEU 65 2HD2 LEU 65 -2.868 2.539 5.880 533 H LEU 66 H LEU 66 -5.052 5.507 8.008 534 HA LEU 66 HA LEU 66 -6.259 3.342 9.277 535 HB2 LEU 66 2HB LEU 66 -5.276 6.000 10.403 536 HB3 LEU 66 1HB LEU 66 -5.725 4.630 11.409 537 HG LEU 66 HG LEU 66 -3.454 4.649 9.382 538 HD11 LEU 66 1HD1 LEU 66 -1.948 4.569 11.310 539 HD12 LEU 66 2HD1 LEU 66 -3.325 4.693 12.410 540 HD13 LEU 66 3HD1 LEU 66 -2.933 6.031 11.328 541 HD21 LEU 66 3HD2 LEU 66 -2.838 2.454 10.310 542 HD22 LEU 66 1HD2 LEU 66 -4.435 2.420 9.564 543 HD23 LEU 66 2HD2 LEU 66 -4.284 2.467 11.321 544 H LYS 67 H LYS 67 -7.310 6.715 9.015 545 HA LYS 67 HA LYS 67 -9.621 6.772 10.579 546 HB2 LYS 67 2HB LYS 67 -8.766 8.268 8.079 547 HB3 LYS 67 1HB LYS 67 -10.351 8.566 8.775 548 HG2 LYS 67 2HG LYS 67 -9.491 9.621 10.661 549 HG3 LYS 67 1HG LYS 67 -7.927 8.809 10.542 550 HD2 LYS 67 2HD LYS 67 -7.944 11.306 9.987 551 HD3 LYS 67 1HD LYS 67 -7.188 10.251 8.799 552 HE2 LYS 67 2HE LYS 67 -8.520 11.954 7.684 553 HE3 LYS 67 1HE LYS 67 -9.242 10.371 7.410 554 HZ1 LYS 67 3HZ LYS 67 -10.161 12.440 9.325 555 HZ2 LYS 67 1HZ LYS 67 -10.816 10.887 9.220 556 HZ3 LYS 67 2HZ LYS 67 -10.942 11.946 7.910 557 H GLU 68 H GLU 68 -9.404 6.294 7.049 558 HA GLU 68 HA GLU 68 -12.227 5.820 6.857 559 HB2 GLU 68 2HB GLU 68 -10.071 5.624 4.723 560 HB3 GLU 68 1HB GLU 68 -11.804 5.675 4.439 561 HG2 GLU 68 2HG GLU 68 -10.080 7.898 5.567 562 HG3 GLU 68 1HG GLU 68 -10.828 7.850 3.973 563 H LEU 69 H LEU 69 -9.450 3.774 7.239 564 HA LEU 69 HA LEU 69 -10.676 1.318 6.411 565 HB2 LEU 69 2HB LEU 69 -8.272 1.817 8.207 566 HB3 LEU 69 1HB LEU 69 -8.855 0.207 7.814 567 HG LEU 69 HG LEU 69 -7.615 2.227 5.909 568 HD11 LEU 69 1HD1 LEU 69 -6.021 0.965 7.249 569 HD12 LEU 69 2HD1 LEU 69 -5.928 0.495 5.555 570 HD13 LEU 69 3HD1 LEU 69 -6.744 -0.556 6.718 571 HD21 LEU 69 3HD2 LEU 69 -7.907 0.614 4.099 572 HD22 LEU 69 1HD2 LEU 69 -9.462 1.154 4.723 573 HD23 LEU 69 2HD2 LEU 69 -8.843 -0.439 5.163 574 H GLY 70 H GLY 70 -10.207 2.970 9.560 575 HA2 GLY 70 2HA GLY 70 -11.583 1.125 11.202 576 HA3 GLY 70 1HA GLY 70 -11.409 2.842 11.524 577 H ASN 71 H ASN 71 -12.729 3.786 9.246 578 HA ASN 71 HA ASN 71 -15.457 3.794 10.066 579 HB2 ASN 71 2HB ASN 71 -14.211 4.779 7.469 580 HB3 ASN 71 1HB ASN 71 -15.842 5.172 8.011 581 HD21 ASN 71 1HD2 ASN 71 -13.608 6.911 7.434 582 HD22 ASN 71 2HD2 ASN 71 -13.291 7.817 8.865 583 H LYS 72 H LYS 72 -14.260 2.757 6.836 584 HA LYS 72 HA LYS 72 -16.338 1.305 5.949 585 HB2 LYS 72 2HB LYS 72 -14.865 -0.032 4.541 586 HB3 LYS 72 1HB LYS 72 -14.355 1.652 4.575 587 HG2 LYS 72 2HG LYS 72 -12.615 1.004 6.247 588 HG3 LYS 72 1HG LYS 72 -13.080 -0.684 6.019 589 HD2 LYS 72 2HD LYS 72 -11.993 1.157 3.852 590 HD3 LYS 72 1HD LYS 72 -11.072 -0.065 4.715 591 HE2 LYS 72 2HE LYS 72 -13.418 -0.581 2.870 592 HE3 LYS 72 1HE LYS 72 -11.719 -0.879 2.509 593 HZ1 LYS 72 3HZ LYS 72 -12.855 -2.900 3.131 594 HZ2 LYS 72 1HZ LYS 72 -13.309 -2.236 4.620 595 HZ3 LYS 72 2HZ LYS 72 -11.677 -2.523 4.284 596 H LEU 73 H LEU 73 -14.114 0.043 8.395 597 HA LEU 73 HA LEU 73 -14.986 -2.640 8.416 598 HB2 LEU 73 2HB LEU 73 -13.733 -0.909 10.545 599 HB3 LEU 73 1HB LEU 73 -14.143 -2.589 10.871 600 HG LEU 73 HG LEU 73 -12.127 -1.567 8.828 601 HD11 LEU 73 1HD1 LEU 73 -10.460 -2.720 10.217 602 HD12 LEU 73 2HD1 LEU 73 -11.722 -3.184 11.362 603 HD13 LEU 73 3HD1 LEU 73 -11.317 -1.481 11.136 604 HD21 LEU 73 3HD2 LEU 73 -11.628 -3.959 8.372 605 HD22 LEU 73 1HD2 LEU 73 -13.254 -3.488 7.866 606 HD23 LEU 73 2HD2 LEU 73 -13.022 -4.420 9.351 607 H GLU 74 H GLU 74 -16.497 0.222 9.752 608 HA GLU 74 HA GLU 74 -18.472 -1.207 11.321 609 HB2 GLU 74 2HB GLU 74 -18.211 1.711 10.499 610 HB3 GLU 74 1HB GLU 74 -19.472 1.109 11.567 611 HG2 GLU 74 2HG GLU 74 -16.495 0.926 12.143 612 HG3 GLU 74 1HG GLU 74 -17.557 2.182 12.768 613 H HIS 75 H HIS 75 -18.203 -1.580 8.282 614 HA HIS 75 HA HIS 75 -21.029 -2.143 8.069 615 HB2 HIS 75 2HB HIS 75 -21.334 -1.453 5.747 616 HB3 HIS 75 1HB HIS 75 -20.944 -0.076 6.748 617 HD1 HIS 75 HD1 HIS 75 -19.027 1.380 6.002 618 HD2 HIS 75 HD2 HIS 75 -19.267 -2.166 3.854 619 HE1 HIS 75 HE1 HIS 75 -17.554 1.693 3.993 620 HE2 HIS 75 HE2 HIS 75 -17.785 -0.423 2.674 621 H HIS 76 H HIS 76 -20.813 -4.234 8.295 622 HA HIS 76 HA HIS 76 -18.430 -5.642 7.347 623 HB2 HIS 76 2HB HIS 76 -20.725 -6.639 9.096 624 HB3 HIS 76 1HB HIS 76 -19.188 -7.456 8.825 625 HD1 HIS 76 HD1 HIS 76 -20.744 -4.642 10.731 626 HD2 HIS 76 HD2 HIS 76 -17.010 -6.417 10.300 627 HE1 HIS 76 HE1 HIS 76 -19.338 -3.709 12.579 628 HE2 HIS 76 HE2 HIS 76 -17.042 -4.622 12.158 629 H HIS 77 H HIS 77 -18.644 -6.145 5.208 630 HA HIS 77 HA HIS 77 -21.036 -7.383 4.130 631 HB2 HIS 77 2HB HIS 77 -18.271 -6.869 2.961 632 HB3 HIS 77 1HB HIS 77 -19.502 -7.786 2.090 633 HD1 HIS 77 HD1 HIS 77 -21.081 -6.442 0.707 634 HD2 HIS 77 HD2 HIS 77 -19.212 -4.111 3.592 635 HE1 HIS 77 HE1 HIS 77 -21.819 -4.088 0.251 636 HE2 HIS 77 HE2 HIS 77 -20.826 -2.737 2.116 637 H HIS 78 H HIS 78 -21.506 -9.307 4.940 638 HA HIS 78 HA HIS 78 -19.494 -11.360 5.502 639 HB2 HIS 78 2HB HIS 78 -22.512 -11.275 5.937 640 HB3 HIS 78 1HB HIS 78 -21.529 -12.691 6.293 641 HD1 HIS 78 HD1 HIS 78 -22.733 -9.592 7.781 642 HD2 HIS 78 HD2 HIS 78 -19.548 -12.190 8.408 643 HE1 HIS 78 HE1 HIS 78 -21.884 -9.083 10.089 644 HE2 HIS 78 HE2 HIS 78 -19.900 -10.593 10.405 645 H HIS 79 H HIS 79 -19.224 -10.890 2.985 646 HA HIS 79 HA HIS 79 -19.286 -11.529 0.835 647 HB2 HIS 79 2HB HIS 79 -18.982 -14.003 0.481 648 HB3 HIS 79 1HB HIS 79 -17.928 -13.300 1.695 649 HD1 HIS 79 HD1 HIS 79 -17.870 -14.436 3.918 650 HD2 HIS 79 HD2 HIS 79 -21.180 -15.587 1.678 651 HE1 HIS 79 HE1 HIS 79 -18.954 -16.290 5.212 652 HE2 HIS 79 HE2 HIS 79 -20.841 -17.085 3.763 653 H HIS 80 H HIS 80 -21.991 -10.979 1.896 654 HA HIS 80 HA HIS 80 -23.648 -12.481 -0.038 655 HB2 HIS 80 2HB HIS 80 -24.435 -10.650 2.270 656 HB3 HIS 80 1HB HIS 80 -25.593 -11.378 1.156 657 HD1 HIS 80 HD1 HIS 80 -24.218 -11.929 4.377 658 HD2 HIS 80 HD2 HIS 80 -25.205 -14.401 1.186 659 HE1 HIS 80 HE1 HIS 80 -24.425 -14.232 5.350 660 HE2 HIS 80 HE2 HIS 80 -25.130 -15.689 3.421 661 H1 MET 1 1H MET 1 -2.736 -16.188 -18.586 662 H2 MET 1 2H MET 1 -2.816 -17.462 -19.689 663 H3 MET 1 3H MET 1 -3.733 -16.069 -19.943 664 HA MET 1 HA MET 1 -0.779 -16.191 -19.920 665 HB2 MET 1 2HB MET 1 -1.711 -17.358 -21.894 666 HB3 MET 1 1HB MET 1 -2.730 -15.976 -22.263 667 HG2 MET 1 2HG MET 1 -0.740 -14.627 -22.768 668 HG3 MET 1 1HG MET 1 0.300 -15.992 -22.347 669 HE1 MET 1 3HE MET 1 0.529 -14.445 -25.159 670 HE2 MET 1 1HE MET 1 0.718 -15.821 -26.242 671 HE3 MET 1 2HE MET 1 1.548 -15.806 -24.686 672 H ALA 2 H ALA 2 -0.169 -14.310 -19.027 673 HA ALA 2 HA ALA 2 -1.609 -11.797 -19.686 674 HB1 ALA 2 3HB ALA 2 -2.267 -12.551 -17.434 675 HB2 ALA 2 1HB ALA 2 -1.306 -11.076 -17.342 676 HB3 ALA 2 2HB ALA 2 -0.571 -12.634 -16.947 677 H ASP 3 H ASP 3 0.019 -11.313 -21.240 678 HA ASP 3 HA ASP 3 2.755 -10.803 -20.296 679 HB2 ASP 3 2HB ASP 3 2.463 -11.862 -22.524 680 HB3 ASP 3 1HB ASP 3 1.524 -10.482 -23.077 681 H LYS 4 H LYS 4 0.503 -8.922 -22.313 682 HA LYS 4 HA LYS 4 1.136 -6.448 -20.857 683 HB2 LYS 4 2HB LYS 4 0.804 -6.335 -23.351 684 HB3 LYS 4 1HB LYS 4 -0.878 -6.816 -23.133 685 HG2 LYS 4 2HG LYS 4 -1.323 -4.770 -21.828 686 HG3 LYS 4 1HG LYS 4 0.377 -4.307 -21.950 687 HD2 LYS 4 2HD LYS 4 -0.871 -3.002 -23.559 688 HD3 LYS 4 1HD LYS 4 0.101 -4.172 -24.451 689 HE2 LYS 4 2HE LYS 4 -1.909 -5.621 -24.694 690 HE3 LYS 4 1HE LYS 4 -2.866 -4.410 -23.836 691 HZ1 LYS 4 3HZ LYS 4 -2.413 -2.834 -25.590 692 HZ2 LYS 4 1HZ LYS 4 -3.091 -4.231 -26.245 693 HZ3 LYS 4 2HZ LYS 4 -1.435 -3.942 -26.404 694 H LEU 5 H LEU 5 -0.149 -5.638 -19.267 695 HA LEU 5 HA LEU 5 -2.180 -7.458 -18.211 696 HB2 LEU 5 2HB LEU 5 -0.966 -5.004 -16.868 697 HB3 LEU 5 1HB LEU 5 -1.951 -6.245 -16.109 698 HG LEU 5 HG LEU 5 0.908 -6.519 -17.106 699 HD11 LEU 5 1HD1 LEU 5 1.426 -7.024 -14.767 700 HD12 LEU 5 2HD1 LEU 5 -0.273 -6.823 -14.331 701 HD13 LEU 5 3HD1 LEU 5 0.658 -5.443 -14.920 702 HD21 LEU 5 3HD2 LEU 5 0.860 -8.875 -16.342 703 HD22 LEU 5 1HD2 LEU 5 -0.224 -8.596 -17.705 704 HD23 LEU 5 2HD2 LEU 5 -0.880 -8.751 -16.074 705 H LYS 6 H LYS 6 -4.170 -6.709 -17.502 706 HA LYS 6 HA LYS 6 -5.195 -4.163 -18.611 707 HB2 LYS 6 2HB LYS 6 -6.596 -6.887 -18.501 708 HB3 LYS 6 1HB LYS 6 -7.405 -5.376 -18.903 709 HG2 LYS 6 2HG LYS 6 -5.145 -6.629 -20.493 710 HG3 LYS 6 1HG LYS 6 -6.856 -6.720 -20.908 711 HD2 LYS 6 2HD LYS 6 -5.266 -4.130 -20.703 712 HD3 LYS 6 1HD LYS 6 -5.598 -4.982 -22.212 713 HE2 LYS 6 2HE LYS 6 -7.976 -4.595 -21.989 714 HE3 LYS 6 1HE LYS 6 -7.773 -3.956 -20.355 715 HZ1 LYS 6 3HZ LYS 6 -6.590 -2.073 -21.249 716 HZ2 LYS 6 1HZ LYS 6 -8.088 -2.207 -22.021 717 HZ3 LYS 6 2HZ LYS 6 -6.679 -2.694 -22.818 718 H PHE 7 H PHE 7 -6.755 -3.131 -17.233 719 HA PHE 7 HA PHE 7 -7.231 -4.279 -14.590 720 HB2 PHE 7 2HB PHE 7 -6.491 -2.142 -13.491 721 HB3 PHE 7 1HB PHE 7 -5.158 -2.996 -14.249 722 HD1 PHE 7 HD1 PHE 7 -4.032 -2.062 -16.245 723 HD2 PHE 7 HD2 PHE 7 -7.262 0.029 -14.374 724 HE1 PHE 7 HE1 PHE 7 -3.452 -0.023 -17.504 725 HE2 PHE 7 HE2 PHE 7 -6.676 2.048 -15.634 726 HZ PHE 7 HZ PHE 7 -4.775 2.033 -17.196 727 H GLU 8 H GLU 8 -9.175 -3.585 -13.747 728 HA GLU 8 HA GLU 8 -10.503 -1.231 -14.909 729 HB2 GLU 8 2HB GLU 8 -11.491 -3.238 -16.055 730 HB3 GLU 8 1HB GLU 8 -11.896 -3.931 -14.485 731 HG2 GLU 8 2HG GLU 8 -13.381 -1.982 -14.026 732 HG3 GLU 8 1HG GLU 8 -13.004 -1.333 -15.621 733 H ILE 9 H ILE 9 -11.292 0.011 -13.292 734 HA ILE 9 HA ILE 9 -10.814 -0.889 -10.547 735 HB ILE 9 HB ILE 9 -11.672 1.879 -11.539 736 HG12 ILE 9 2HG1 ILE 9 -8.944 0.772 -10.700 737 HG13 ILE 9 1HG1 ILE 9 -9.388 1.361 -12.295 738 HG21 ILE 9 1HG2 ILE 9 -10.771 0.977 -8.772 739 HG22 ILE 9 2HG2 ILE 9 -12.417 1.432 -9.219 740 HG23 ILE 9 3HG2 ILE 9 -11.130 2.638 -9.243 741 HD11 ILE 9 3HD1 ILE 9 -9.598 3.636 -11.363 742 HD12 ILE 9 1HD1 ILE 9 -7.986 2.951 -11.173 743 HD13 ILE 9 2HD1 ILE 9 -9.078 3.015 -9.792 744 H ILE 10 H ILE 10 -12.354 -1.799 -9.468 745 HA ILE 10 HA ILE 10 -15.081 -2.007 -10.538 746 HB ILE 10 HB ILE 10 -13.783 -3.630 -8.287 747 HG12 ILE 10 2HG1 ILE 10 -12.436 -3.966 -10.302 748 HG13 ILE 10 1HG1 ILE 10 -13.391 -5.416 -10.013 749 HG21 ILE 10 1HG2 ILE 10 -15.543 -5.307 -8.788 750 HG22 ILE 10 2HG2 ILE 10 -16.246 -4.216 -9.987 751 HG23 ILE 10 3HG2 ILE 10 -16.232 -3.764 -8.281 752 HD11 ILE 10 3HD1 ILE 10 -13.967 -3.276 -12.062 753 HD12 ILE 10 1HD1 ILE 10 -14.966 -4.703 -11.769 754 HD13 ILE 10 2HD1 ILE 10 -13.317 -4.884 -12.366 755 H GLU 11 H GLU 11 -13.246 -0.922 -7.743 756 HA GLU 11 HA GLU 11 -15.468 0.671 -6.740 757 HB2 GLU 11 2HB GLU 11 -15.814 -1.435 -5.518 758 HB3 GLU 11 1HB GLU 11 -14.112 -1.519 -5.089 759 HG2 GLU 11 2HG GLU 11 -15.347 -0.857 -3.144 760 HG3 GLU 11 1HG GLU 11 -14.407 0.528 -3.687 761 H GLU 12 H GLU 12 -14.685 2.504 -5.702 762 HA GLU 12 HA GLU 12 -11.775 2.701 -5.117 763 HB2 GLU 12 2HB GLU 12 -13.750 4.837 -6.016 764 HB3 GLU 12 1HB GLU 12 -12.197 5.249 -5.285 765 HG2 GLU 12 2HG GLU 12 -10.978 4.190 -7.077 766 HG3 GLU 12 1HG GLU 12 -12.447 3.470 -7.719 767 H LEU 13 H LEU 13 -11.189 3.053 -3.095 768 HA LEU 13 HA LEU 13 -13.352 2.879 -1.063 769 HB2 LEU 13 2HB LEU 13 -10.421 2.092 -0.851 770 HB3 LEU 13 1HB LEU 13 -11.620 1.877 0.416 771 HG LEU 13 HG LEU 13 -11.728 0.486 -2.291 772 HD11 LEU 13 1HD1 LEU 13 -10.997 -1.529 -1.111 773 HD12 LEU 13 2HD1 LEU 13 -10.808 -0.607 0.384 774 HD13 LEU 13 3HD1 LEU 13 -9.782 -0.256 -1.011 775 HD21 LEU 13 3HD2 LEU 13 -13.363 0.028 0.231 776 HD22 LEU 13 1HD2 LEU 13 -13.443 -0.939 -1.245 777 HD23 LEU 13 2HD2 LEU 13 -13.945 0.748 -1.273 778 H ILE 14 H ILE 14 -10.057 4.246 -1.381 779 HA ILE 14 HA ILE 14 -10.725 6.485 0.432 780 HB ILE 14 HB ILE 14 -8.233 4.717 0.813 781 HG12 ILE 14 2HG1 ILE 14 -10.730 4.743 2.575 782 HG13 ILE 14 1HG1 ILE 14 -10.267 3.439 1.489 783 HG21 ILE 14 1HG2 ILE 14 -7.944 7.076 1.502 784 HG22 ILE 14 2HG2 ILE 14 -7.897 5.996 2.894 785 HG23 ILE 14 3HG2 ILE 14 -9.347 6.946 2.567 786 HD11 ILE 14 3HD1 ILE 14 -9.720 2.906 3.777 787 HD12 ILE 14 1HD1 ILE 14 -8.717 4.350 3.909 788 HD13 ILE 14 2HD1 ILE 14 -8.253 3.046 2.812 789 H VAL 15 H VAL 15 -10.146 8.254 -0.862 790 HA VAL 15 HA VAL 15 -7.664 8.107 -2.438 791 HB VAL 15 HB VAL 15 -9.597 10.456 -2.125 792 HG11 VAL 15 1HG1 VAL 15 -7.229 10.138 -4.019 793 HG12 VAL 15 2HG1 VAL 15 -7.315 11.241 -2.643 794 HG13 VAL 15 3HG1 VAL 15 -8.381 11.476 -4.028 795 HG21 VAL 15 3HG2 VAL 15 -10.627 8.572 -3.326 796 HG22 VAL 15 1HG2 VAL 15 -9.251 8.502 -4.435 797 HG23 VAL 15 2HG2 VAL 15 -10.318 9.912 -4.430 798 H LEU 16 H LEU 16 -5.821 8.575 -1.540 799 HA LEU 16 HA LEU 16 -5.658 9.271 1.280 800 HB2 LEU 16 2HB LEU 16 -3.477 8.539 -0.720 801 HB3 LEU 16 1HB LEU 16 -3.301 8.584 1.030 802 HG LEU 16 HG LEU 16 -5.204 6.682 -0.402 803 HD11 LEU 16 1HD1 LEU 16 -3.545 4.901 -0.017 804 HD12 LEU 16 2HD1 LEU 16 -2.391 6.102 0.571 805 HD13 LEU 16 3HD1 LEU 16 -2.933 6.147 -1.106 806 HD21 LEU 16 3HD2 LEU 16 -4.179 6.723 2.459 807 HD22 LEU 16 1HD2 LEU 16 -5.230 5.487 1.752 808 HD23 LEU 16 2HD2 LEU 16 -5.811 7.142 1.921 809 H SER 17 H SER 17 -4.926 10.686 -1.856 810 HA SER 17 HA SER 17 -4.717 13.312 -1.097 811 HB2 SER 17 2HB SER 17 -2.583 12.640 0.073 812 HB3 SER 17 1HB SER 17 -1.923 12.116 -1.477 813 HG SER 17 HG SER 17 -2.353 14.681 -0.478 814 H GLU 18 H GLU 18 -3.879 14.645 -2.835 815 HA GLU 18 HA GLU 18 -4.135 13.522 -5.569 816 HB2 GLU 18 2HB GLU 18 -6.335 14.461 -4.886 817 HB3 GLU 18 1HB GLU 18 -5.577 15.993 -4.467 818 HG2 GLU 18 2HG GLU 18 -4.946 16.308 -6.854 819 HG3 GLU 18 1HG GLU 18 -5.756 14.795 -7.255 820 H ASN 19 H ASN 19 -2.705 14.481 -7.059 821 HA ASN 19 HA ASN 19 -0.480 15.862 -5.672 822 HB2 ASN 19 2HB ASN 19 -0.146 13.809 -7.101 823 HB3 ASN 19 1HB ASN 19 -0.549 14.764 -8.516 824 HD21 ASN 19 1HD2 ASN 19 1.460 14.301 -9.421 825 HD22 ASN 19 2HD2 ASN 19 2.925 15.027 -8.859 826 H ALA 20 H ALA 20 0.735 17.622 -6.743 827 HA ALA 20 HA ALA 20 -0.698 19.835 -7.718 828 HB1 ALA 20 3HB ALA 20 2.245 19.168 -8.095 829 HB2 ALA 20 1HB ALA 20 1.540 19.976 -6.697 830 HB3 ALA 20 2HB ALA 20 1.516 20.771 -8.271 831 H LYS 21 H LYS 21 0.712 17.089 -9.349 832 HA LYS 21 HA LYS 21 0.150 18.075 -12.066 833 HB2 LYS 21 2HB LYS 21 1.291 15.398 -11.139 834 HB3 LYS 21 1HB LYS 21 1.234 15.975 -12.800 835 HG2 LYS 21 2HG LYS 21 2.837 17.249 -10.563 836 HG3 LYS 21 1HG LYS 21 3.491 16.150 -11.773 837 HD2 LYS 21 2HD LYS 21 2.176 18.792 -12.512 838 HD3 LYS 21 1HD LYS 21 3.890 18.668 -12.136 839 HE2 LYS 21 2HE LYS 21 3.644 18.625 -14.537 840 HE3 LYS 21 1HE LYS 21 4.123 17.010 -14.022 841 HZ1 LYS 21 3HZ LYS 21 1.315 17.804 -14.599 842 HZ2 LYS 21 1HZ LYS 21 1.893 16.239 -14.322 843 HZ3 LYS 21 2HZ LYS 21 2.335 17.070 -15.723 844 H GLY 22 H GLY 22 -1.485 16.624 -9.575 845 HA2 GLY 22 2HA GLY 22 -3.853 16.374 -9.705 846 HA3 GLY 22 1HA GLY 22 -3.678 15.643 -11.295 847 H TRP 23 H TRP 23 -1.325 14.084 -10.349 848 HA TRP 23 HA TRP 23 -2.438 11.625 -10.293 849 HB2 TRP 23 2HB TRP 23 0.240 12.556 -9.208 850 HB3 TRP 23 1HB TRP 23 -0.199 10.852 -9.222 851 HD1 TRP 23 HD1 TRP 23 -0.251 13.688 -11.913 852 HE1 TRP 23 HE1 TRP 23 0.690 12.732 -14.077 853 HE3 TRP 23 HE3 TRP 23 0.732 8.907 -10.318 854 HZ2 TRP 23 HZ2 TRP 23 1.770 10.270 -15.001 855 HZ3 TRP 23 HZ3 TRP 23 1.729 7.313 -11.914 856 HH2 TRP 23 HH2 TRP 23 2.232 7.988 -14.215 857 H ARG 24 H ARG 24 -3.699 10.519 -8.927 858 HA ARG 24 HA ARG 24 -3.937 11.385 -6.129 859 HB2 ARG 24 2HB ARG 24 -5.778 10.010 -8.099 860 HB3 ARG 24 1HB ARG 24 -6.055 9.810 -6.370 861 HG2 ARG 24 2HG ARG 24 -6.333 12.202 -6.085 862 HG3 ARG 24 1HG ARG 24 -5.941 12.498 -7.778 863 HD2 ARG 24 2HD ARG 24 -7.947 11.364 -8.506 864 HD3 ARG 24 1HD ARG 24 -8.291 10.805 -6.863 865 HE ARG 24 HE ARG 24 -8.154 13.669 -7.083 866 HH11 ARG 24 1HH1 ARG 24 -10.279 10.893 -7.480 867 HH12 ARG 24 2HH1 ARG 24 -11.730 11.818 -7.259 868 HH21 ARG 24 1HH2 ARG 24 -10.036 14.878 -6.799 869 HH22 ARG 24 2HH2 ARG 24 -11.590 14.099 -6.869 870 H LYS 25 H LYS 25 -2.799 10.212 -4.746 871 HA LYS 25 HA LYS 25 -2.232 7.381 -5.225 872 HB2 LYS 25 2HB LYS 25 -1.104 7.488 -2.973 873 HB3 LYS 25 1HB LYS 25 -0.460 8.635 -4.142 874 HG2 LYS 25 2HG LYS 25 -1.912 10.406 -3.051 875 HG3 LYS 25 1HG LYS 25 -2.271 9.222 -1.793 876 HD2 LYS 25 2HD LYS 25 -0.490 10.681 -1.030 877 HD3 LYS 25 1HD LYS 25 0.169 9.065 -1.289 878 HE2 LYS 25 2HE LYS 25 1.135 9.769 -3.423 879 HE3 LYS 25 1HE LYS 25 0.398 11.366 -3.259 880 HZ1 LYS 25 3HZ LYS 25 2.677 11.495 -2.624 881 HZ2 LYS 25 1HZ LYS 25 2.529 10.199 -1.551 882 HZ3 LYS 25 2HZ LYS 25 1.750 11.663 -1.220 883 H GLU 26 H GLU 26 -3.861 6.056 -4.984 884 HA GLU 26 HA GLU 26 -5.860 6.474 -2.838 885 HB2 GLU 26 2HB GLU 26 -7.651 5.873 -4.465 886 HB3 GLU 26 1HB GLU 26 -6.794 7.337 -4.927 887 HG2 GLU 26 2HG GLU 26 -5.435 5.940 -6.544 888 HG3 GLU 26 1HG GLU 26 -6.492 4.587 -6.162 889 H LEU 27 H LEU 27 -6.988 4.683 -2.203 890 HA LEU 27 HA LEU 27 -5.973 2.007 -2.826 891 HB2 LEU 27 2HB LEU 27 -5.714 2.554 -0.459 892 HB3 LEU 27 1HB LEU 27 -7.376 3.117 -0.360 893 HG LEU 27 HG LEU 27 -8.179 0.782 -0.749 894 HD11 LEU 27 1HD1 LEU 27 -6.631 -1.125 -0.603 895 HD12 LEU 27 2HD1 LEU 27 -5.255 -0.021 -0.602 896 HD13 LEU 27 3HD1 LEU 27 -6.302 -0.127 -2.023 897 HD21 LEU 27 3HD2 LEU 27 -7.932 1.674 1.526 898 HD22 LEU 27 1HD2 LEU 27 -6.284 1.047 1.598 899 HD23 LEU 27 2HD2 LEU 27 -7.651 -0.062 1.471 900 H ASN 28 H ASN 28 -7.282 0.906 -4.023 901 HA ASN 28 HA ASN 28 -10.214 1.257 -3.993 902 HB2 ASN 28 2HB ASN 28 -10.093 1.157 -6.563 903 HB3 ASN 28 1HB ASN 28 -9.523 2.651 -5.824 904 HD21 ASN 28 1HD2 ASN 28 -8.129 3.263 -7.459 905 HD22 ASN 28 2HD2 ASN 28 -6.713 2.369 -7.881 906 H ARG 29 H ARG 29 -11.214 -0.587 -5.403 907 HA ARG 29 HA ARG 29 -9.675 -3.102 -5.234 908 HB2 ARG 29 2HB ARG 29 -12.693 -2.596 -5.324 909 HB3 ARG 29 1HB ARG 29 -11.957 -4.194 -5.437 910 HG2 ARG 29 2HG ARG 29 -11.041 -3.990 -3.187 911 HG3 ARG 29 1HG ARG 29 -11.633 -2.332 -3.064 912 HD2 ARG 29 2HD ARG 29 -13.046 -3.975 -1.831 913 HD3 ARG 29 1HD ARG 29 -13.933 -3.097 -3.073 914 HE ARG 29 HE ARG 29 -13.701 -5.113 -4.492 915 HH11 ARG 29 1HH1 ARG 29 -13.463 -5.576 -0.994 916 HH12 ARG 29 2HH1 ARG 29 -13.943 -7.239 -1.082 917 HH21 ARG 29 1HH2 ARG 29 -14.334 -7.283 -4.547 918 HH22 ARG 29 2HH2 ARG 29 -14.431 -8.201 -3.079 919 H VAL 30 H VAL 30 -8.942 -3.802 -7.114 920 HA VAL 30 HA VAL 30 -10.120 -2.938 -9.688 921 HB VAL 30 HB VAL 30 -7.150 -3.300 -8.996 922 HG11 VAL 30 1HG1 VAL 30 -6.643 -2.535 -11.294 923 HG12 VAL 30 2HG1 VAL 30 -8.365 -2.552 -11.684 924 HG13 VAL 30 3HG1 VAL 30 -7.535 -4.059 -11.295 925 HG21 VAL 30 3HG2 VAL 30 -8.050 -1.180 -8.143 926 HG22 VAL 30 1HG2 VAL 30 -8.677 -0.778 -9.744 927 HG23 VAL 30 2HG2 VAL 30 -6.934 -0.882 -9.478 928 H SER 31 H SER 31 -10.207 -4.475 -11.290 929 HA SER 31 HA SER 31 -9.603 -7.301 -10.677 930 HB2 SER 31 2HB SER 31 -11.934 -6.903 -11.361 931 HB3 SER 31 1HB SER 31 -11.403 -6.001 -12.784 932 HG SER 31 HG SER 31 -11.419 -8.749 -12.297 933 H TRP 32 H TRP 32 -7.731 -8.039 -11.609 934 HA TRP 32 HA TRP 32 -6.497 -6.503 -13.816 935 HB2 TRP 32 2HB TRP 32 -5.292 -8.339 -11.698 936 HB3 TRP 32 1HB TRP 32 -4.384 -7.771 -13.094 937 HD1 TRP 32 HD1 TRP 32 -5.745 -6.551 -9.712 938 HE1 TRP 32 HE1 TRP 32 -4.613 -4.302 -9.151 939 HE3 TRP 32 HE3 TRP 32 -3.486 -5.607 -14.223 940 HZ2 TRP 32 HZ2 TRP 32 -3.082 -2.341 -10.468 941 HZ3 TRP 32 HZ3 TRP 32 -2.206 -3.518 -14.485 942 HH2 TRP 32 HH2 TRP 32 -2.010 -1.916 -12.644 943 H ASN 33 H ASN 33 -6.778 -7.347 -15.730 944 HA ASN 33 HA ASN 33 -6.986 -8.730 -17.522 945 HB2 ASN 33 2HB ASN 33 -5.251 -10.424 -15.684 946 HB3 ASN 33 1HB ASN 33 -5.736 -11.035 -17.265 947 HD21 ASN 33 1HD2 ASN 33 -3.095 -10.148 -16.071 948 HD22 ASN 33 2HD2 ASN 33 -2.452 -9.087 -17.268 949 H ASP 34 H ASP 34 -9.202 -8.570 -15.958 950 HA ASP 34 HA ASP 34 -11.186 -9.437 -15.363 951 HB2 ASP 34 2HB ASP 34 -10.491 -11.173 -17.763 952 HB3 ASP 34 1HB ASP 34 -12.058 -11.281 -16.962 953 H ALA 35 H ALA 35 -8.887 -10.516 -13.907 954 HA ALA 35 HA ALA 35 -9.850 -13.146 -13.003 955 HB1 ALA 35 3HB ALA 35 -7.411 -12.849 -13.205 956 HB2 ALA 35 1HB ALA 35 -7.859 -13.098 -11.515 957 HB3 ALA 35 2HB ALA 35 -7.466 -11.478 -12.100 958 H GLU 36 H GLU 36 -9.690 -13.147 -10.405 959 HA GLU 36 HA GLU 36 -11.905 -11.970 -9.334 960 HB2 GLU 36 2HB GLU 36 -10.925 -12.438 -7.083 961 HB3 GLU 36 1HB GLU 36 -10.786 -13.783 -8.208 962 HG2 GLU 36 2HG GLU 36 -8.419 -13.185 -8.629 963 HG3 GLU 36 1HG GLU 36 -8.556 -11.862 -7.468 964 HA PRO 37 HA PRO 37 -10.783 -7.610 -8.594 965 HB2 PRO 37 2HB PRO 37 -12.978 -6.912 -7.081 966 HB3 PRO 37 1HB PRO 37 -13.038 -7.075 -8.847 967 HG2 PRO 37 2HG PRO 37 -13.909 -9.035 -6.752 968 HG3 PRO 37 1HG PRO 37 -14.712 -8.578 -8.272 969 HD2 PRO 37 2HD PRO 37 -13.248 -10.863 -8.034 970 HD3 PRO 37 1HD PRO 37 -13.372 -9.964 -9.562 971 H LYS 38 H LYS 38 -9.490 -6.786 -7.053 972 HA LYS 38 HA LYS 38 -9.592 -7.610 -4.278 973 HB2 LYS 38 2HB LYS 38 -7.197 -8.295 -4.206 974 HB3 LYS 38 1HB LYS 38 -8.187 -9.399 -5.145 975 HG2 LYS 38 2HG LYS 38 -7.284 -8.528 -7.231 976 HG3 LYS 38 1HG LYS 38 -6.412 -7.262 -6.359 977 HD2 LYS 38 2HD LYS 38 -4.934 -9.176 -7.026 978 HD3 LYS 38 1HD LYS 38 -4.968 -8.907 -5.283 979 HE2 LYS 38 2HE LYS 38 -6.606 -10.771 -5.053 980 HE3 LYS 38 1HE LYS 38 -6.506 -11.054 -6.793 981 HZ1 LYS 38 3HZ LYS 38 -4.264 -11.298 -4.855 982 HZ2 LYS 38 1HZ LYS 38 -4.146 -11.548 -6.526 983 HZ3 LYS 38 2HZ LYS 38 -5.096 -12.579 -5.578 984 H TYR 39 H TYR 39 -7.492 -6.482 -3.205 985 HA TYR 39 HA TYR 39 -8.172 -3.696 -3.643 986 HB2 TYR 39 2HB TYR 39 -6.473 -5.050 -1.497 987 HB3 TYR 39 1HB TYR 39 -6.977 -3.358 -1.484 988 HD1 TYR 39 HD1 TYR 39 -8.189 -6.866 -1.147 989 HD2 TYR 39 HD2 TYR 39 -9.289 -2.744 -0.923 990 HE1 TYR 39 HE1 TYR 39 -10.320 -7.482 -0.084 991 HE2 TYR 39 HE2 TYR 39 -11.404 -3.371 0.153 992 HH TYR 39 HH TYR 39 -12.057 -6.563 1.271 993 H ASP 40 H ASP 40 -6.863 -2.179 -4.390 994 HA ASP 40 HA ASP 40 -4.002 -2.740 -4.972 995 HB2 ASP 40 2HB ASP 40 -5.495 -2.884 -7.040 996 HB3 ASP 40 1HB ASP 40 -5.897 -1.190 -6.805 997 H ILE 41 H ILE 41 -2.619 -1.103 -4.428 998 HA ILE 41 HA ILE 41 -3.725 1.496 -3.573 999 HB ILE 41 HB ILE 41 -3.498 0.353 -1.455 1000 HG12 ILE 41 2HG1 ILE 41 -1.101 2.210 -1.834 1001 HG13 ILE 41 1HG1 ILE 41 -2.750 2.727 -1.509 1002 HG21 ILE 41 1HG2 ILE 41 -0.644 -0.374 -2.173 1003 HG22 ILE 41 2HG2 ILE 41 -2.008 -1.490 -2.117 1004 HG23 ILE 41 3HG2 ILE 41 -1.443 -0.717 -0.634 1005 HD11 ILE 41 3HD1 ILE 41 -0.955 1.181 0.362 1006 HD12 ILE 41 1HD1 ILE 41 -2.630 1.633 0.696 1007 HD13 ILE 41 2HD1 ILE 41 -1.406 2.882 0.477 1008 H ARG 42 H ARG 42 -2.809 2.914 -4.761 1009 HA ARG 42 HA ARG 42 -0.036 2.887 -5.668 1010 HB2 ARG 42 2HB ARG 42 -0.965 1.119 -7.108 1011 HB3 ARG 42 1HB ARG 42 -2.299 2.157 -7.594 1012 HG2 ARG 42 2HG ARG 42 -0.856 3.547 -8.911 1013 HG3 ARG 42 1HG ARG 42 0.596 2.797 -8.249 1014 HD2 ARG 42 2HD ARG 42 -1.444 1.262 -9.887 1015 HD3 ARG 42 1HD ARG 42 -0.078 2.112 -10.603 1016 HE ARG 42 HE ARG 42 1.421 0.624 -9.423 1017 HH11 ARG 42 1HH1 ARG 42 -1.937 -0.388 -9.481 1018 HH12 ARG 42 2HH1 ARG 42 -1.573 -2.057 -9.191 1019 HH21 ARG 42 1HH2 ARG 42 1.902 -1.566 -9.017 1020 HH22 ARG 42 2HH2 ARG 42 0.620 -2.734 -8.929 1021 H THR 43 H THR 43 0.385 4.761 -7.273 1022 HA THR 43 HA THR 43 -1.496 6.965 -6.805 1023 HB THR 43 HB THR 43 1.415 7.070 -7.755 1024 HG1 THR 43 HG1 THR 43 0.517 6.641 -5.319 1025 HG21 THR 43 3HG2 THR 43 -0.510 9.271 -6.899 1026 HG22 THR 43 1HG2 THR 43 0.102 9.002 -8.535 1027 HG23 THR 43 2HG2 THR 43 1.204 9.508 -7.253 1028 H TRP 44 H TRP 44 -2.719 7.411 -8.488 1029 HA TRP 44 HA TRP 44 -2.118 6.381 -11.203 1030 HB2 TRP 44 2HB TRP 44 -4.805 6.759 -9.780 1031 HB3 TRP 44 1HB TRP 44 -4.639 6.350 -11.481 1032 HD1 TRP 44 HD1 TRP 44 -4.409 4.763 -7.974 1033 HE1 TRP 44 HE1 TRP 44 -4.441 2.183 -8.261 1034 HE3 TRP 44 HE3 TRP 44 -3.909 4.466 -13.064 1035 HZ2 TRP 44 HZ2 TRP 44 -4.246 0.310 -10.321 1036 HZ3 TRP 44 HZ3 TRP 44 -3.845 2.240 -14.112 1037 HH2 TRP 44 HH2 TRP 44 -4.008 0.201 -12.770 1038 H SER 45 H SER 45 -3.260 7.739 -12.882 1039 HA SER 45 HA SER 45 -3.313 10.631 -12.211 1040 HB2 SER 45 2HB SER 45 -3.514 9.142 -14.857 1041 HB3 SER 45 1HB SER 45 -3.723 10.893 -14.714 1042 HG SER 45 HG SER 45 -1.486 9.951 -13.449 1043 HA PRO 46 HA PRO 46 -7.797 11.155 -11.830 1044 HB2 PRO 46 2HB PRO 46 -8.439 12.955 -13.924 1045 HB3 PRO 46 1HB PRO 46 -7.869 13.407 -12.308 1046 HG2 PRO 46 2HG PRO 46 -6.282 13.097 -14.834 1047 HG3 PRO 46 1HG PRO 46 -6.175 14.358 -13.583 1048 HD2 PRO 46 2HD PRO 46 -4.366 12.417 -13.637 1049 HD3 PRO 46 1HD PRO 46 -5.034 12.938 -12.073 1050 H ASP 47 H ASP 47 -6.747 10.665 -15.206 1051 HA ASP 47 HA ASP 47 -9.237 9.524 -16.111 1052 HB2 ASP 47 2HB ASP 47 -6.454 9.491 -17.373 1053 HB3 ASP 47 1HB ASP 47 -7.924 8.961 -18.184 1054 H HIS 48 H HIS 48 -6.666 8.272 -14.209 1055 HA HIS 48 HA HIS 48 -6.009 6.309 -13.489 1056 HB2 HIS 48 2HB HIS 48 -8.777 5.435 -14.382 1057 HB3 HIS 48 1HB HIS 48 -7.704 4.439 -13.401 1058 HD1 HIS 48 HD1 HIS 48 -10.492 6.548 -12.962 1059 HD2 HIS 48 HD2 HIS 48 -6.901 6.100 -10.916 1060 HE1 HIS 48 HE1 HIS 48 -10.906 7.474 -10.659 1061 HE2 HIS 48 HE2 HIS 48 -8.815 6.905 -9.385 1062 H GLU 49 H GLU 49 -5.589 7.007 -16.394 1063 HA GLU 49 HA GLU 49 -5.213 4.397 -17.687 1064 HB2 GLU 49 2HB GLU 49 -4.535 5.715 -19.669 1065 HB3 GLU 49 1HB GLU 49 -6.095 6.260 -19.060 1066 HG2 GLU 49 2HG GLU 49 -5.056 8.211 -18.017 1067 HG3 GLU 49 1HG GLU 49 -3.458 7.635 -18.478 1068 H LYS 50 H LYS 50 -3.488 6.716 -15.830 1069 HA LYS 50 HA LYS 50 -0.827 5.708 -16.634 1070 HB2 LYS 50 2HB LYS 50 -1.612 8.355 -15.363 1071 HB3 LYS 50 1HB LYS 50 0.041 7.850 -15.625 1072 HG2 LYS 50 2HG LYS 50 -1.802 8.053 -17.993 1073 HG3 LYS 50 1HG LYS 50 -1.179 9.531 -17.270 1074 HD2 LYS 50 2HD LYS 50 0.327 9.028 -19.026 1075 HD3 LYS 50 1HD LYS 50 1.163 8.526 -17.563 1076 HE2 LYS 50 2HE LYS 50 0.533 6.178 -18.027 1077 HE3 LYS 50 1HE LYS 50 -0.286 6.693 -19.504 1078 HZ1 LYS 50 3HZ LYS 50 2.614 7.018 -18.937 1079 HZ2 LYS 50 1HZ LYS 50 1.828 7.500 -20.352 1080 HZ3 LYS 50 2HZ LYS 50 1.935 5.861 -19.961 1081 H MET 51 H MET 51 0.381 4.758 -15.111 1082 HA MET 51 HA MET 51 -0.541 4.655 -12.296 1083 HB2 MET 51 2HB MET 51 0.006 2.264 -12.239 1084 HB3 MET 51 1HB MET 51 -1.180 2.573 -13.493 1085 HG2 MET 51 2HG MET 51 0.558 2.384 -15.216 1086 HG3 MET 51 1HG MET 51 1.788 2.159 -13.976 1087 HE1 MET 51 3HE MET 51 -1.866 0.617 -14.001 1088 HE2 MET 51 1HE MET 51 -1.567 -0.927 -14.795 1089 HE3 MET 51 2HE MET 51 -1.406 0.576 -15.703 1090 H GLY 52 H GLY 52 1.194 3.936 -10.796 1091 HA2 GLY 52 2HA GLY 52 3.975 3.986 -11.710 1092 HA3 GLY 52 1HA GLY 52 3.478 5.300 -10.646 1093 H LYS 53 H LYS 53 4.465 4.836 -8.750 1094 HA LYS 53 HA LYS 53 5.099 2.361 -7.641 1095 HB2 LYS 53 2HB LYS 53 4.494 5.012 -6.263 1096 HB3 LYS 53 1HB LYS 53 5.171 3.616 -5.430 1097 HG2 LYS 53 2HG LYS 53 7.159 3.707 -6.895 1098 HG3 LYS 53 1HG LYS 53 6.482 5.120 -7.715 1099 HD2 LYS 53 2HD LYS 53 6.507 6.359 -5.547 1100 HD3 LYS 53 1HD LYS 53 7.240 4.953 -4.766 1101 HE2 LYS 53 2HE LYS 53 8.899 6.702 -5.351 1102 HE3 LYS 53 1HE LYS 53 9.228 5.171 -6.163 1103 HZ1 LYS 53 3HZ LYS 53 8.294 6.025 -8.174 1104 HZ2 LYS 53 1HZ LYS 53 9.447 7.127 -7.614 1105 HZ3 LYS 53 2HZ LYS 53 7.801 7.452 -7.415 1106 H GLY 54 H GLY 54 3.690 0.689 -7.068 1107 HA2 GLY 54 2HA GLY 54 1.771 1.050 -5.062 1108 HA3 GLY 54 1HA GLY 54 0.972 0.942 -6.627 1109 H ILE 55 H ILE 55 0.286 -0.931 -4.978 1110 HA ILE 55 HA ILE 55 1.578 -3.407 -5.846 1111 HB ILE 55 HB ILE 55 2.936 -2.918 -3.892 1112 HG12 ILE 55 2HG1 ILE 55 0.855 -5.042 -3.194 1113 HG13 ILE 55 1HG1 ILE 55 2.336 -5.285 -4.107 1114 HG21 ILE 55 1HG2 ILE 55 2.059 -2.477 -1.640 1115 HG22 ILE 55 2HG2 ILE 55 0.406 -2.556 -2.254 1116 HG23 ILE 55 3HG2 ILE 55 1.482 -1.266 -2.792 1117 HD11 ILE 55 3HD1 ILE 55 3.640 -4.790 -2.098 1118 HD12 ILE 55 1HD1 ILE 55 2.546 -6.153 -1.874 1119 HD13 ILE 55 2HD1 ILE 55 2.145 -4.581 -1.182 1120 H THR 56 H THR 56 0.275 -5.235 -5.581 1121 HA THR 56 HA THR 56 -2.608 -4.762 -5.178 1122 HB THR 56 HB THR 56 -2.733 -7.237 -6.099 1123 HG1 THR 56 HG1 THR 56 -0.305 -7.328 -5.968 1124 HG21 THR 56 3HG2 THR 56 -3.584 -5.340 -7.371 1125 HG22 THR 56 1HG2 THR 56 -2.729 -6.458 -8.434 1126 HG23 THR 56 2HG2 THR 56 -1.952 -4.953 -7.934 1127 H LEU 57 H LEU 57 -3.738 -5.826 -3.686 1128 HA LEU 57 HA LEU 57 -2.524 -7.679 -1.761 1129 HB2 LEU 57 2HB LEU 57 -4.408 -5.355 -1.105 1130 HB3 LEU 57 1HB LEU 57 -3.767 -6.513 0.050 1131 HG LEU 57 HG LEU 57 -2.145 -4.419 -1.454 1132 HD11 LEU 57 1HD1 LEU 57 -3.570 -3.403 0.254 1133 HD12 LEU 57 2HD1 LEU 57 -1.876 -3.331 0.737 1134 HD13 LEU 57 3HD1 LEU 57 -2.949 -4.524 1.474 1135 HD21 LEU 57 3HD2 LEU 57 -0.777 -6.394 -1.079 1136 HD22 LEU 57 1HD2 LEU 57 -1.236 -6.436 0.627 1137 HD23 LEU 57 2HD2 LEU 57 -0.259 -5.103 0.001 1138 H SER 58 H SER 58 -4.111 -9.162 -0.919 1139 HA SER 58 HA SER 58 -6.510 -9.531 -2.628 1140 HB2 SER 58 2HB SER 58 -5.106 -11.525 -0.790 1141 HB3 SER 58 1HB SER 58 -6.400 -11.879 -1.942 1142 HG SER 58 HG SER 58 -3.769 -10.989 -2.513 1143 H GLU 59 H GLU 59 -8.397 -10.595 -1.331 1144 HA GLU 59 HA GLU 59 -9.297 -8.781 0.618 1145 HB2 GLU 59 2HB GLU 59 -10.334 -11.578 0.003 1146 HB3 GLU 59 1HB GLU 59 -11.208 -10.331 0.891 1147 HG2 GLU 59 2HG GLU 59 -11.193 -8.883 -1.112 1148 HG3 GLU 59 1HG GLU 59 -10.327 -10.130 -2.005 1149 H GLU 60 H GLU 60 -7.818 -11.974 0.953 1150 HA GLU 60 HA GLU 60 -8.003 -12.256 3.763 1151 HB2 GLU 60 2HB GLU 60 -6.060 -13.429 1.734 1152 HB3 GLU 60 1HB GLU 60 -6.162 -13.958 3.412 1153 HG2 GLU 60 2HG GLU 60 -8.392 -14.811 3.099 1154 HG3 GLU 60 1HG GLU 60 -8.521 -14.049 1.514 1155 H GLU 61 H GLU 61 -5.367 -11.025 1.688 1156 HA GLU 61 HA GLU 61 -3.439 -10.656 3.762 1157 HB2 GLU 61 2HB GLU 61 -3.569 -9.344 1.008 1158 HB3 GLU 61 1HB GLU 61 -2.137 -9.471 2.029 1159 HG2 GLU 61 2HG GLU 61 -2.049 -11.856 1.753 1160 HG3 GLU 61 1HG GLU 61 -3.624 -11.885 0.959 1161 H PHE 62 H PHE 62 -5.375 -8.358 1.901 1162 HA PHE 62 HA PHE 62 -4.905 -6.042 3.416 1163 HB2 PHE 62 2HB PHE 62 -5.851 -5.990 1.135 1164 HB3 PHE 62 1HB PHE 62 -7.326 -6.762 1.703 1165 HD1 PHE 62 HD2 PHE 62 -5.282 -3.661 1.920 1166 HD2 PHE 62 HD1 PHE 62 -9.083 -5.452 2.697 1167 HE1 PHE 62 HE2 PHE 62 -6.239 -1.453 2.397 1168 HE2 PHE 62 HE1 PHE 62 -10.028 -3.236 3.179 1169 HZ PHE 62 HZ PHE 62 -8.608 -1.240 3.024 1170 H GLY 63 H GLY 63 -7.346 -8.664 3.801 1171 HA2 GLY 63 2HA GLY 63 -8.846 -7.618 5.901 1172 HA3 GLY 63 1HA GLY 63 -8.488 -9.324 5.662 1173 H VAL 64 H VAL 64 -5.764 -9.423 6.011 1174 HA VAL 64 HA VAL 64 -5.356 -9.374 8.797 1175 HB VAL 64 HB VAL 64 -3.321 -9.529 6.530 1176 HG11 VAL 64 1HG1 VAL 64 -2.166 -8.751 8.548 1177 HG12 VAL 64 2HG1 VAL 64 -1.698 -10.408 8.174 1178 HG13 VAL 64 3HG1 VAL 64 -2.845 -10.093 9.478 1179 HG21 VAL 64 3HG2 VAL 64 -3.282 -11.953 6.994 1180 HG22 VAL 64 1HG2 VAL 64 -4.902 -11.411 6.557 1181 HG23 VAL 64 2HG2 VAL 64 -4.510 -11.738 8.246 1182 H LEU 65 H LEU 65 -4.426 -7.054 6.197 1183 HA LEU 65 HA LEU 65 -2.918 -5.248 7.696 1184 HB2 LEU 65 2HB LEU 65 -3.252 -5.279 5.168 1185 HB3 LEU 65 1HB LEU 65 -4.815 -4.527 5.423 1186 HG LEU 65 HG LEU 65 -3.535 -2.575 6.558 1187 HD11 LEU 65 1HD1 LEU 65 -1.184 -2.293 5.972 1188 HD12 LEU 65 2HD1 LEU 65 -1.147 -3.898 5.239 1189 HD13 LEU 65 3HD1 LEU 65 -1.424 -3.724 6.973 1190 HD21 LEU 65 3HD2 LEU 65 -3.047 -3.081 3.595 1191 HD22 LEU 65 1HD2 LEU 65 -2.991 -1.514 4.409 1192 HD23 LEU 65 2HD2 LEU 65 -4.514 -2.395 4.302 1193 H LEU 66 H LEU 66 -6.456 -5.267 7.065 1194 HA LEU 66 HA LEU 66 -7.295 -3.027 8.480 1195 HB2 LEU 66 2HB LEU 66 -8.669 -5.704 7.996 1196 HB3 LEU 66 1HB LEU 66 -9.504 -4.334 8.712 1197 HG LEU 66 HG LEU 66 -8.250 -4.274 5.937 1198 HD11 LEU 66 1HD1 LEU 66 -10.516 -4.501 5.030 1199 HD12 LEU 66 2HD1 LEU 66 -11.166 -4.727 6.656 1200 HD13 LEU 66 3HD1 LEU 66 -10.063 -5.921 5.971 1201 HD21 LEU 66 3HD2 LEU 66 -9.604 -2.244 5.624 1202 HD22 LEU 66 1HD2 LEU 66 -8.472 -2.060 6.962 1203 HD23 LEU 66 2HD2 LEU 66 -10.181 -2.356 7.288 1204 H LYS 67 H LYS 67 -7.049 -6.389 9.610 1205 HA LYS 67 HA LYS 67 -7.915 -6.140 12.263 1206 HB2 LYS 67 2HB LYS 67 -5.900 -8.052 10.996 1207 HB3 LYS 67 1HB LYS 67 -6.557 -8.271 12.614 1208 HG2 LYS 67 2HG LYS 67 -8.721 -8.780 11.805 1209 HG3 LYS 67 1HG LYS 67 -8.396 -8.071 10.224 1210 HD2 LYS 67 2HD LYS 67 -8.484 -10.572 10.185 1211 HD3 LYS 67 1HD LYS 67 -6.958 -9.908 9.605 1212 HE2 LYS 67 2HE LYS 67 -6.501 -11.838 10.981 1213 HE3 LYS 67 1HE LYS 67 -5.951 -10.407 11.847 1214 HZ1 LYS 67 3HZ LYS 67 -8.532 -11.801 12.315 1215 HZ2 LYS 67 1HZ LYS 67 -7.953 -10.470 13.183 1216 HZ3 LYS 67 2HZ LYS 67 -7.156 -11.961 13.278 1217 H GLU 68 H GLU 68 -4.551 -6.262 11.075 1218 HA GLU 68 HA GLU 68 -3.371 -5.897 13.605 1219 HB2 GLU 68 2HB GLU 68 -2.046 -5.417 10.909 1220 HB3 GLU 68 1HB GLU 68 -1.234 -5.706 12.437 1221 HG2 GLU 68 2HG GLU 68 -2.768 -7.661 10.734 1222 HG3 GLU 68 1HG GLU 68 -1.076 -7.717 11.204 1223 H LEU 69 H LEU 69 -4.220 -3.588 11.037 1224 HA LEU 69 HA LEU 69 -2.959 -1.304 12.211 1225 HB2 LEU 69 2HB LEU 69 -5.211 -1.526 10.179 1226 HB3 LEU 69 1HB LEU 69 -4.590 0.024 10.728 1227 HG LEU 69 HG LEU 69 -2.966 -2.095 9.255 1228 HD11 LEU 69 1HD1 LEU 69 -4.592 -0.997 7.790 1229 HD12 LEU 69 2HD1 LEU 69 -2.947 -0.531 7.378 1230 HD13 LEU 69 3HD1 LEU 69 -3.982 0.588 8.273 1231 HD21 LEU 69 3HD2 LEU 69 -1.206 -0.441 9.119 1232 HD22 LEU 69 1HD2 LEU 69 -1.579 -0.799 10.807 1233 HD23 LEU 69 2HD2 LEU 69 -2.163 0.705 10.075 1234 H GLY 70 H GLY 70 -6.212 -2.724 12.492 1235 HA2 GLY 70 2HA GLY 70 -7.439 -0.816 14.161 1236 HA3 GLY 70 1HA GLY 70 -7.804 -2.533 14.142 1237 H ASN 71 H ASN 71 -5.260 -3.476 14.907 1238 HA ASN 71 HA ASN 71 -5.256 -3.150 17.783 1239 HB2 ASN 71 2HB ASN 71 -3.206 -4.441 15.921 1240 HB3 ASN 71 1HB ASN 71 -3.041 -4.438 17.670 1241 HD21 ASN 71 1HD2 ASN 71 -4.714 -5.823 14.971 1242 HD22 ASN 71 2HD2 ASN 71 -5.559 -7.047 15.849 1243 H LYS 72 H LYS 72 -2.825 -2.239 15.354 1244 HA LYS 72 HA LYS 72 -1.298 -0.416 16.709 1245 HB2 LYS 72 2HB LYS 72 -2.074 -0.268 13.771 1246 HB3 LYS 72 1HB LYS 72 -0.749 0.637 14.500 1247 HG2 LYS 72 2HG LYS 72 0.384 -1.490 15.084 1248 HG3 LYS 72 1HG LYS 72 -0.942 -2.390 14.350 1249 HD2 LYS 72 2HD LYS 72 0.910 -2.303 12.784 1250 HD3 LYS 72 1HD LYS 72 -0.412 -1.320 12.149 1251 HE2 LYS 72 2HE LYS 72 1.780 -0.223 11.852 1252 HE3 LYS 72 1HE LYS 72 0.737 0.726 12.915 1253 HZ1 LYS 72 3HZ LYS 72 2.991 0.584 13.780 1254 HZ2 LYS 72 1HZ LYS 72 2.909 -1.105 13.790 1255 HZ3 LYS 72 2HZ LYS 72 1.916 -0.204 14.822 1256 H LEU 73 H LEU 73 -4.648 0.193 15.966 1257 HA LEU 73 HA LEU 73 -4.437 3.079 16.272 1258 HB2 LEU 73 2HB LEU 73 -6.902 1.289 16.341 1259 HB3 LEU 73 1HB LEU 73 -6.946 3.044 16.428 1260 HG LEU 73 HG LEU 73 -6.109 1.343 14.050 1261 HD11 LEU 73 1HD1 LEU 73 -8.528 1.597 14.315 1262 HD12 LEU 73 2HD1 LEU 73 -7.956 2.448 12.879 1263 HD13 LEU 73 3HD1 LEU 73 -8.355 3.356 14.340 1264 HD21 LEU 73 3HD2 LEU 73 -5.906 4.363 14.275 1265 HD22 LEU 73 1HD2 LEU 73 -5.648 3.416 12.809 1266 HD23 LEU 73 2HD2 LEU 73 -4.553 3.234 14.175 1267 H GLU 74 H GLU 74 -4.680 0.353 18.384 1268 HA GLU 74 HA GLU 74 -5.326 1.812 20.794 1269 HB2 GLU 74 2HB GLU 74 -4.070 -0.937 20.387 1270 HB3 GLU 74 1HB GLU 74 -4.575 -0.302 21.950 1271 HG2 GLU 74 2HG GLU 74 -6.428 -0.757 19.592 1272 HG3 GLU 74 1HG GLU 74 -6.209 -1.887 20.924 1273 H HIS 75 H HIS 75 -2.416 1.166 18.967 1274 HA HIS 75 HA HIS 75 -0.522 2.213 20.851 1275 HB2 HIS 75 2HB HIS 75 0.296 1.008 18.876 1276 HB3 HIS 75 1HB HIS 75 -0.482 2.157 17.796 1277 HD1 HIS 75 HD1 HIS 75 2.493 1.798 20.083 1278 HD2 HIS 75 HD2 HIS 75 1.027 4.459 17.243 1279 HE1 HIS 75 HE1 HIS 75 4.334 3.460 19.691 1280 HE2 HIS 75 HE2 HIS 75 3.371 5.138 18.093 1281 H HIS 76 H HIS 76 -2.888 3.589 18.715 1282 HA HIS 76 HA HIS 76 -3.718 5.616 18.281 1283 HB2 HIS 76 2HB HIS 76 -2.337 6.546 20.836 1284 HB3 HIS 76 1HB HIS 76 -3.635 7.383 19.995 1285 HD1 HIS 76 HD1 HIS 76 -5.965 5.897 19.884 1286 HD2 HIS 76 HD2 HIS 76 -3.210 4.938 22.837 1287 HE1 HIS 76 HE1 HIS 76 -7.236 4.554 21.581 1288 HE2 HIS 76 HE2 HIS 76 -5.508 3.839 23.253 1289 H HIS 77 H HIS 77 -2.613 5.884 16.402 1290 HA HIS 77 HA HIS 77 0.029 6.538 15.943 1291 HB2 HIS 77 2HB HIS 77 -1.460 5.711 14.187 1292 HB3 HIS 77 1HB HIS 77 -2.435 7.173 14.265 1293 HD1 HIS 77 HD1 HIS 77 -2.061 8.060 11.938 1294 HD2 HIS 77 HD2 HIS 77 1.507 7.113 13.847 1295 HE1 HIS 77 HE1 HIS 77 -0.240 8.872 10.412 1296 HE2 HIS 77 HE2 HIS 77 1.875 8.496 11.704 1297 H HIS 78 H HIS 78 0.944 8.147 17.070 1298 HA HIS 78 HA HIS 78 0.182 10.921 16.477 1299 HB2 HIS 78 2HB HIS 78 0.557 9.814 19.302 1300 HB3 HIS 78 1HB HIS 78 0.599 11.535 18.922 1301 HD1 HIS 78 HD1 HIS 78 -1.681 8.927 19.914 1302 HD2 HIS 78 HD2 HIS 78 -1.969 12.414 17.673 1303 HE1 HIS 78 HE1 HIS 78 -4.137 9.439 19.773 1304 HE2 HIS 78 HE2 HIS 78 -4.264 11.627 18.543 1305 H HIS 79 H HIS 79 1.949 11.631 15.470 1306 HA HIS 79 HA HIS 79 4.656 10.921 16.229 1307 HB2 HIS 79 2HB HIS 79 4.059 11.509 13.883 1308 HB3 HIS 79 1HB HIS 79 3.626 13.137 14.388 1309 HD1 HIS 79 HD1 HIS 79 5.477 14.836 14.378 1310 HD2 HIS 79 HD2 HIS 79 6.912 10.937 14.148 1311 HE1 HIS 79 HE1 HIS 79 7.945 15.043 13.975 1312 HE2 HIS 79 HE2 HIS 79 8.806 12.685 13.961 1313 H HIS 80 H HIS 80 6.052 12.184 17.487 1314 HA HIS 80 HA HIS 80 4.834 14.380 19.039 1315 HB2 HIS 80 2HB HIS 80 5.507 12.463 20.451 1316 HB3 HIS 80 1HB HIS 80 7.127 12.474 19.758 1317 HD1 HIS 80 HD1 HIS 80 8.822 13.824 20.993 1318 HD2 HIS 80 HD2 HIS 80 4.944 14.952 21.985 1319 HE1 HIS 80 HE1 HIS 80 9.065 15.536 22.807 1320 HE2 HIS 80 HE2 HIS 80 6.711 16.080 23.497 Start of MODEL 7 1 H1 MET 1 1H MET 1 18.333 13.619 -6.083 2 H2 MET 1 2H MET 1 17.845 14.885 -5.077 3 H3 MET 1 3H MET 1 18.206 13.372 -4.417 4 HA MET 1 HA MET 1 20.112 15.176 -5.779 5 HB2 MET 1 2HB MET 1 19.401 16.025 -3.560 6 HB3 MET 1 1HB MET 1 19.812 14.486 -2.819 7 HG2 MET 1 2HG MET 1 22.180 14.859 -3.309 8 HG3 MET 1 1HG MET 1 21.785 16.375 -4.127 9 HE1 MET 1 3HE MET 1 23.976 16.282 -1.814 10 HE2 MET 1 1HE MET 1 23.513 17.695 -0.864 11 HE3 MET 1 2HE MET 1 23.483 17.771 -2.626 12 H ALA 2 H ALA 2 19.858 12.314 -3.636 13 HA ALA 2 HA ALA 2 22.479 11.318 -4.259 14 HB1 ALA 2 3HB ALA 2 20.160 9.973 -2.814 15 HB2 ALA 2 1HB ALA 2 21.431 10.941 -2.063 16 HB3 ALA 2 2HB ALA 2 21.835 9.404 -2.832 17 H ASP 3 H ASP 3 23.085 9.955 -5.868 18 HA ASP 3 HA ASP 3 21.306 8.941 -7.888 19 HB2 ASP 3 2HB ASP 3 24.220 8.206 -7.304 20 HB3 ASP 3 1HB ASP 3 23.335 7.738 -8.753 21 H LYS 4 H LYS 4 23.233 7.446 -5.323 22 HA LYS 4 HA LYS 4 21.617 4.979 -5.322 23 HB2 LYS 4 2HB LYS 4 24.075 4.725 -5.129 24 HB3 LYS 4 1HB LYS 4 24.096 5.780 -3.721 25 HG2 LYS 4 2HG LYS 4 22.758 4.094 -2.460 26 HG3 LYS 4 1HG LYS 4 22.797 3.031 -3.874 27 HD2 LYS 4 2HD LYS 4 25.282 2.929 -3.715 28 HD3 LYS 4 1HD LYS 4 25.236 3.991 -2.304 29 HE2 LYS 4 2HE LYS 4 23.969 2.272 -1.059 30 HE3 LYS 4 1HE LYS 4 24.006 1.216 -2.474 31 HZ1 LYS 4 3HZ LYS 4 26.399 2.191 -1.005 32 HZ2 LYS 4 1HZ LYS 4 26.403 1.123 -2.315 33 HZ3 LYS 4 2HZ LYS 4 25.720 0.653 -0.841 34 H LEU 5 H LEU 5 19.819 4.974 -4.053 35 HA LEU 5 HA LEU 5 19.338 7.176 -2.212 36 HB2 LEU 5 2HB LEU 5 17.548 4.803 -2.889 37 HB3 LEU 5 1HB LEU 5 17.077 6.212 -1.938 38 HG LEU 5 HG LEU 5 17.758 6.182 -4.908 39 HD11 LEU 5 1HD1 LEU 5 15.123 6.687 -3.504 40 HD12 LEU 5 2HD1 LEU 5 15.563 5.243 -4.424 41 HD13 LEU 5 3HD1 LEU 5 15.415 6.794 -5.244 42 HD21 LEU 5 3HD2 LEU 5 16.979 8.549 -3.179 43 HD22 LEU 5 1HD2 LEU 5 17.147 8.561 -4.938 44 HD23 LEU 5 2HD2 LEU 5 18.555 8.268 -3.924 45 H LYS 6 H LYS 6 18.843 6.931 -0.040 46 HA LYS 6 HA LYS 6 20.016 4.574 1.317 47 HB2 LYS 6 2HB LYS 6 19.527 7.394 2.389 48 HB3 LYS 6 1HB LYS 6 20.208 6.060 3.318 49 HG2 LYS 6 2HG LYS 6 21.489 7.399 0.900 50 HG3 LYS 6 1HG LYS 6 21.947 7.638 2.588 51 HD2 LYS 6 2HD LYS 6 22.161 5.009 1.063 52 HD3 LYS 6 1HD LYS 6 23.499 6.110 1.391 53 HE2 LYS 6 2HE LYS 6 23.350 5.692 3.771 54 HE3 LYS 6 1HE LYS 6 21.850 4.784 3.576 55 HZ1 LYS 6 3HZ LYS 6 24.532 3.975 2.590 56 HZ2 LYS 6 1HZ LYS 6 23.099 3.127 2.297 57 HZ3 LYS 6 2HZ LYS 6 23.680 3.284 3.874 58 H PHE 7 H PHE 7 18.635 3.320 2.515 59 HA PHE 7 HA PHE 7 16.061 4.386 3.416 60 HB2 PHE 7 2HB PHE 7 14.908 2.290 2.565 61 HB3 PHE 7 1HB PHE 7 15.406 3.415 1.319 62 HD1 PHE 7 HD1 PHE 7 17.524 2.896 -0.044 63 HD2 PHE 7 HD2 PHE 7 15.661 0.012 2.524 64 HE1 PHE 7 HE1 PHE 7 18.678 1.083 -1.237 65 HE2 PHE 7 HE2 PHE 7 16.822 -1.792 1.313 66 HZ PHE 7 HZ PHE 7 18.325 -1.252 -0.561 67 H GLU 8 H GLU 8 15.579 3.679 5.430 68 HA GLU 8 HA GLU 8 17.113 1.418 6.568 69 HB2 GLU 8 2HB GLU 8 18.253 3.548 7.165 70 HB3 GLU 8 1HB GLU 8 16.751 4.182 7.828 71 HG2 GLU 8 2HG GLU 8 16.777 2.477 9.602 72 HG3 GLU 8 1HG GLU 8 18.227 1.744 8.904 73 H ILE 9 H ILE 9 15.750 0.071 7.580 74 HA ILE 9 HA ILE 9 12.935 0.686 7.796 75 HB ILE 9 HB ILE 9 14.442 -1.812 8.726 76 HG12 ILE 9 2HG1 ILE 9 12.857 -1.384 6.143 77 HG13 ILE 9 1HG1 ILE 9 14.613 -1.400 6.248 78 HG21 ILE 9 1HG2 ILE 9 11.452 -1.385 8.318 79 HG22 ILE 9 2HG2 ILE 9 12.270 -1.543 9.875 80 HG23 ILE 9 3HG2 ILE 9 12.226 -2.911 8.763 81 HD11 ILE 9 3HD1 ILE 9 14.552 -3.745 6.952 82 HD12 ILE 9 1HD1 ILE 9 13.764 -3.500 5.396 83 HD13 ILE 9 2HD1 ILE 9 12.789 -3.737 6.846 84 H ILE 10 H ILE 10 12.459 2.044 9.327 85 HA ILE 10 HA ILE 10 13.928 2.427 11.789 86 HB ILE 10 HB ILE 10 11.308 3.707 10.862 87 HG12 ILE 10 2HG1 ILE 10 13.067 4.206 9.237 88 HG13 ILE 10 1HG1 ILE 10 12.740 5.655 10.175 89 HG21 ILE 10 1HG2 ILE 10 11.816 5.509 12.489 90 HG22 ILE 10 2HG2 ILE 10 13.228 4.609 13.046 91 HG23 ILE 10 3HG2 ILE 10 11.609 3.949 13.288 92 HD11 ILE 10 3HD1 ILE 10 15.091 3.796 10.496 93 HD12 ILE 10 1HD1 ILE 10 14.762 5.199 11.519 94 HD13 ILE 10 2HD1 ILE 10 15.091 5.415 9.803 95 H GLU 11 H GLU 11 10.875 0.997 10.714 96 HA GLU 11 HA GLU 11 10.805 -0.743 13.030 97 HB2 GLU 11 2HB GLU 11 9.655 1.334 13.848 98 HB3 GLU 11 1HB GLU 11 8.473 1.173 12.558 99 HG2 GLU 11 2HG GLU 11 7.538 -0.802 13.521 100 HG3 GLU 11 1HG GLU 11 8.909 -1.016 14.607 101 H GLU 12 H GLU 12 9.582 -2.620 12.590 102 HA GLU 12 HA GLU 12 8.328 -2.869 9.905 103 HB2 GLU 12 2HB GLU 12 9.177 -5.042 11.888 104 HB3 GLU 12 1HB GLU 12 8.489 -5.329 10.287 105 HG2 GLU 12 2HG GLU 12 10.442 -4.247 9.238 106 HG3 GLU 12 1HG GLU 12 11.123 -3.911 10.827 107 H LEU 13 H LEU 13 6.102 -3.024 9.742 108 HA LEU 13 HA LEU 13 4.653 -2.605 12.306 109 HB2 LEU 13 2HB LEU 13 3.787 -1.995 9.450 110 HB3 LEU 13 1HB LEU 13 2.845 -1.640 10.892 111 HG LEU 13 HG LEU 13 5.494 -0.351 10.112 112 HD11 LEU 13 1HD1 LEU 13 3.624 0.422 8.756 113 HD12 LEU 13 2HD1 LEU 13 4.169 1.693 9.844 114 HD13 LEU 13 3HD1 LEU 13 2.689 0.801 10.207 115 HD21 LEU 13 3HD2 LEU 13 5.171 1.126 12.061 116 HD22 LEU 13 1HD2 LEU 13 5.381 -0.556 12.545 117 HD23 LEU 13 2HD2 LEU 13 3.772 0.173 12.564 118 H ILE 14 H ILE 14 4.078 -4.191 9.164 119 HA ILE 14 HA ILE 14 2.650 -6.446 10.393 120 HB ILE 14 HB ILE 14 1.347 -4.849 8.116 121 HG12 ILE 14 2HG1 ILE 14 0.441 -4.804 11.039 122 HG13 ILE 14 1HG1 ILE 14 1.308 -3.495 10.250 123 HG21 ILE 14 1HG2 ILE 14 0.252 -7.088 9.866 124 HG22 ILE 14 2HG2 ILE 14 0.761 -7.238 8.182 125 HG23 ILE 14 3HG2 ILE 14 -0.641 -6.250 8.592 126 HD11 ILE 14 3HD1 ILE 14 -1.431 -4.490 9.457 127 HD12 ILE 14 1HD1 ILE 14 -0.547 -3.147 8.721 128 HD13 ILE 14 2HD1 ILE 14 -1.072 -3.044 10.401 129 H VAL 15 H VAL 15 3.157 -8.309 9.252 130 HA VAL 15 HA VAL 15 4.007 -8.122 6.424 131 HB VAL 15 HB VAL 15 4.146 -10.476 8.370 132 HG11 VAL 15 1HG1 VAL 15 5.364 -11.714 6.605 133 HG12 VAL 15 2HG1 VAL 15 5.094 -10.387 5.472 134 HG13 VAL 15 3HG1 VAL 15 3.725 -11.318 6.082 135 HG21 VAL 15 3HG2 VAL 15 5.822 -8.730 8.823 136 HG22 VAL 15 1HG2 VAL 15 6.363 -8.780 7.137 137 HG23 VAL 15 2HG2 VAL 15 6.601 -10.183 8.192 138 H LEU 16 H LEU 16 2.527 -8.456 4.929 139 HA LEU 16 HA LEU 16 -0.226 -9.155 5.661 140 HB2 LEU 16 2HB LEU 16 0.903 -8.147 3.010 141 HB3 LEU 16 1HB LEU 16 -0.800 -8.231 3.452 142 HG LEU 16 HG LEU 16 1.266 -6.429 4.793 143 HD11 LEU 16 1HD1 LEU 16 0.800 -5.664 2.517 144 HD12 LEU 16 2HD1 LEU 16 0.129 -4.555 3.709 145 HD13 LEU 16 3HD1 LEU 16 -0.937 -5.670 2.848 146 HD21 LEU 16 3HD2 LEU 16 -0.503 -7.129 6.326 147 HD22 LEU 16 1HD2 LEU 16 -1.736 -6.588 5.181 148 HD23 LEU 16 2HD2 LEU 16 -0.643 -5.421 5.933 149 H SER 17 H SER 17 2.515 -10.499 4.108 150 HA SER 17 HA SER 17 1.536 -13.079 3.726 151 HB2 SER 17 2HB SER 17 0.280 -12.148 1.806 152 HB3 SER 17 1HB SER 17 1.764 -11.479 1.129 153 HG SER 17 HG SER 17 1.161 -14.226 1.541 154 H GLU 18 H GLU 18 3.138 -14.429 2.718 155 HA GLU 18 HA GLU 18 5.861 -13.407 2.373 156 HB2 GLU 18 2HB GLU 18 5.704 -13.783 4.799 157 HB3 GLU 18 1HB GLU 18 5.128 -15.428 4.544 158 HG2 GLU 18 2HG GLU 18 7.275 -16.123 3.680 159 HG3 GLU 18 1HG GLU 18 7.850 -14.457 3.623 160 H ASN 19 H ASN 19 7.162 -14.781 1.125 161 HA ASN 19 HA ASN 19 5.469 -16.609 -0.547 162 HB2 ASN 19 2HB ASN 19 6.656 -14.544 -1.514 163 HB3 ASN 19 1HB ASN 19 8.170 -15.396 -1.292 164 HD21 ASN 19 1HD2 ASN 19 6.708 -14.350 -3.681 165 HD22 ASN 19 2HD2 ASN 19 6.627 -15.680 -4.783 166 H ALA 20 H ALA 20 6.419 -18.619 -1.395 167 HA ALA 20 HA ALA 20 7.923 -20.284 0.298 168 HB1 ALA 20 3HB ALA 20 6.519 -21.132 -1.548 169 HB2 ALA 20 1HB ALA 20 8.164 -21.754 -1.679 170 HB3 ALA 20 2HB ALA 20 7.632 -20.441 -2.734 171 H LYS 21 H LYS 21 8.888 -18.112 -2.285 172 HA LYS 21 HA LYS 21 11.727 -18.584 -2.164 173 HB2 LYS 21 2HB LYS 21 10.276 -16.109 -3.219 174 HB3 LYS 21 1HB LYS 21 11.890 -16.657 -3.665 175 HG2 LYS 21 2HG LYS 21 9.264 -18.039 -4.324 176 HG3 LYS 21 1HG LYS 21 10.267 -17.118 -5.448 177 HD2 LYS 21 2HD LYS 21 11.155 -19.679 -4.051 178 HD3 LYS 21 1HD LYS 21 10.465 -19.617 -5.674 179 HE2 LYS 21 2HE LYS 21 13.040 -18.261 -4.799 180 HE3 LYS 21 1HE LYS 21 12.926 -19.750 -5.738 181 HZ1 LYS 21 3HZ LYS 21 12.035 -17.045 -6.602 182 HZ2 LYS 21 1HZ LYS 21 11.786 -18.465 -7.487 183 HZ3 LYS 21 2HZ LYS 21 13.355 -17.920 -7.195 184 H GLY 22 H GLY 22 9.462 -16.732 -0.389 185 HA2 GLY 22 2HA GLY 22 10.068 -16.243 1.932 186 HA3 GLY 22 1HA GLY 22 11.533 -15.487 1.327 187 H TRP 23 H TRP 23 10.023 -14.405 -1.001 188 HA TRP 23 HA TRP 23 10.043 -11.787 -0.286 189 HB2 TRP 23 2HB TRP 23 8.558 -13.173 -2.538 190 HB3 TRP 23 1HB TRP 23 8.538 -11.420 -2.369 191 HD1 TRP 23 HD1 TRP 23 11.200 -14.252 -2.776 192 HE1 TRP 23 HE1 TRP 23 13.160 -13.284 -4.116 193 HE3 TRP 23 HE3 TRP 23 9.604 -9.406 -3.172 194 HZ2 TRP 23 HZ2 TRP 23 13.921 -10.804 -5.222 195 HZ3 TRP 23 HZ3 TRP 23 11.008 -7.794 -4.391 196 HH2 TRP 23 HH2 TRP 23 13.131 -8.483 -5.389 197 H ARG 24 H ARG 24 8.937 -10.726 1.240 198 HA ARG 24 HA ARG 24 6.236 -11.544 2.014 199 HB2 ARG 24 2HB ARG 24 7.996 -9.414 3.320 200 HB3 ARG 24 1HB ARG 24 6.570 -10.199 3.996 201 HG2 ARG 24 2HG ARG 24 7.854 -12.312 4.196 202 HG3 ARG 24 1HG ARG 24 9.279 -11.495 3.530 203 HD2 ARG 24 2HD ARG 24 9.031 -9.796 5.418 204 HD3 ARG 24 1HD ARG 24 7.834 -10.879 6.129 205 HE ARG 24 HE ARG 24 10.000 -12.481 5.835 206 HH11 ARG 24 1HH1 ARG 24 9.515 -9.317 7.334 207 HH12 ARG 24 2HH1 ARG 24 10.760 -9.549 8.514 208 HH21 ARG 24 1HH2 ARG 24 11.683 -12.727 7.394 209 HH22 ARG 24 2HH2 ARG 24 11.984 -11.470 8.548 210 H LYS 25 H LYS 25 4.463 -10.250 1.341 211 HA LYS 25 HA LYS 25 5.057 -7.510 0.406 212 HB2 LYS 25 2HB LYS 25 2.379 -8.970 0.558 213 HB3 LYS 25 1HB LYS 25 2.577 -7.296 0.028 214 HG2 LYS 25 2HG LYS 25 4.195 -8.192 -1.750 215 HG3 LYS 25 1HG LYS 25 3.624 -9.808 -1.331 216 HD2 LYS 25 2HD LYS 25 1.897 -7.523 -2.368 217 HD3 LYS 25 1HD LYS 25 2.499 -8.871 -3.332 218 HE2 LYS 25 2HE LYS 25 0.607 -9.129 -0.974 219 HE3 LYS 25 1HE LYS 25 0.142 -9.171 -2.676 220 HZ1 LYS 25 3HZ LYS 25 1.938 -11.116 -1.323 221 HZ2 LYS 25 1HZ LYS 25 1.527 -11.136 -2.962 222 HZ3 LYS 25 2HZ LYS 25 0.333 -11.395 -1.797 223 H GLU 26 H GLU 26 5.658 -6.294 2.035 224 HA GLU 26 HA GLU 26 4.454 -6.636 4.713 225 HB2 GLU 26 2HB GLU 26 6.688 -7.631 4.561 226 HB3 GLU 26 1HB GLU 26 7.345 -6.156 3.887 227 HG2 GLU 26 2HG GLU 26 6.867 -5.001 6.053 228 HG3 GLU 26 1HG GLU 26 6.330 -6.546 6.712 229 H LEU 27 H LEU 27 3.834 -4.862 5.753 230 HA LEU 27 HA LEU 27 4.379 -2.156 4.761 231 HB2 LEU 27 2HB LEU 27 2.032 -2.663 5.229 232 HB3 LEU 27 1HB LEU 27 2.438 -3.265 6.829 233 HG LEU 27 HG LEU 27 3.123 -0.927 7.489 234 HD11 LEU 27 1HD1 LEU 27 3.652 0.017 5.311 235 HD12 LEU 27 2HD1 LEU 27 2.432 0.991 6.129 236 HD13 LEU 27 3HD1 LEU 27 1.960 -0.096 4.819 237 HD21 LEU 27 3HD2 LEU 27 0.917 -1.820 8.055 238 HD22 LEU 27 1HD2 LEU 27 0.263 -1.191 6.541 239 HD23 LEU 27 2HD2 LEU 27 0.861 -0.082 7.778 240 H ASN 28 H ASN 28 5.985 -1.107 5.674 241 HA ASN 28 HA ASN 28 6.653 -1.399 8.525 242 HB2 ASN 28 2HB ASN 28 9.036 -1.622 8.085 243 HB3 ASN 28 1HB ASN 28 8.195 -2.895 7.224 244 HD21 ASN 28 1HD2 ASN 28 7.419 -1.143 4.927 245 HD22 ASN 28 2HD2 ASN 28 8.880 -0.840 4.065 246 H ARG 29 H ARG 29 8.227 0.415 9.148 247 HA ARG 29 HA ARG 29 7.681 2.915 7.680 248 HB2 ARG 29 2HB ARG 29 8.598 2.522 10.567 249 HB3 ARG 29 1HB ARG 29 8.409 4.084 9.766 250 HG2 ARG 29 2HG ARG 29 5.977 3.533 9.427 251 HG3 ARG 29 1HG ARG 29 6.220 2.087 10.411 252 HD2 ARG 29 2HD ARG 29 5.285 3.832 11.796 253 HD3 ARG 29 1HD ARG 29 6.957 3.558 12.295 254 HE ARG 29 HE ARG 29 6.921 5.626 10.390 255 HH11 ARG 29 1HH1 ARG 29 5.881 5.097 13.713 256 HH12 ARG 29 2HH1 ARG 29 6.031 6.771 14.145 257 HH21 ARG 29 1HH2 ARG 29 7.118 7.810 10.996 258 HH22 ARG 29 2HH2 ARG 29 6.731 8.292 12.611 259 H VAL 30 H VAL 30 9.285 3.770 6.615 260 HA VAL 30 HA VAL 30 12.082 2.911 7.046 261 HB VAL 30 HB VAL 30 10.742 3.582 4.366 262 HG11 VAL 30 1HG1 VAL 30 12.837 2.826 3.299 263 HG12 VAL 30 2HG1 VAL 30 13.567 2.583 4.889 264 HG13 VAL 30 3HG1 VAL 30 13.124 4.207 4.359 265 HG21 VAL 30 3HG2 VAL 30 11.032 1.197 3.783 266 HG22 VAL 30 1HG2 VAL 30 9.979 1.394 5.187 267 HG23 VAL 30 2HG2 VAL 30 11.652 0.872 5.406 268 H SER 31 H SER 31 13.645 4.524 6.705 269 HA SER 31 HA SER 31 12.781 7.343 6.445 270 HB2 SER 31 2HB SER 31 14.015 6.939 8.559 271 HB3 SER 31 1HB SER 31 15.331 6.177 7.675 272 HG SER 31 HG SER 31 14.757 8.848 8.043 273 H TRP 32 H TRP 32 13.217 8.137 4.473 274 HA TRP 32 HA TRP 32 15.055 6.693 2.657 275 HB2 TRP 32 2HB TRP 32 12.674 8.511 2.089 276 HB3 TRP 32 1HB TRP 32 13.775 7.940 0.844 277 HD1 TRP 32 HD1 TRP 32 10.780 6.802 2.923 278 HE1 TRP 32 HE1 TRP 32 9.957 4.544 1.986 279 HE3 TRP 32 HE3 TRP 32 14.719 5.692 -0.178 280 HZ2 TRP 32 HZ2 TRP 32 10.892 2.516 0.282 281 HZ3 TRP 32 HZ3 TRP 32 14.671 3.561 -1.424 282 HH2 TRP 32 HH2 TRP 32 12.794 2.006 -1.197 283 H ASN 33 H ASN 33 16.937 7.653 2.382 284 HA ASN 33 HA ASN 33 18.708 9.084 2.498 285 HB2 ASN 33 2HB ASN 33 16.570 10.690 1.082 286 HB3 ASN 33 1HB ASN 33 18.152 11.408 1.362 287 HD21 ASN 33 1HD2 ASN 33 16.808 10.695 -1.144 288 HD22 ASN 33 2HD2 ASN 33 17.897 9.654 -1.981 289 H ASP 34 H ASP 34 17.408 8.793 4.891 290 HA ASP 34 HA ASP 34 17.312 9.521 7.013 291 HB2 ASP 34 2HB ASP 34 19.684 10.105 6.570 292 HB3 ASP 34 1HB ASP 34 19.198 11.702 6.008 293 H ALA 35 H ALA 35 15.223 10.393 5.189 294 HA ALA 35 HA ALA 35 14.322 12.987 6.132 295 HB1 ALA 35 3HB ALA 35 12.263 12.493 4.878 296 HB2 ALA 35 1HB ALA 35 12.804 10.831 4.610 297 HB3 ALA 35 2HB ALA 35 13.692 12.176 3.891 298 H GLU 36 H GLU 36 12.195 13.173 7.221 299 HA GLU 36 HA GLU 36 11.909 11.979 9.690 300 HB2 GLU 36 2HB GLU 36 9.657 13.036 7.940 301 HB3 GLU 36 1HB GLU 36 9.476 12.634 9.648 302 HG2 GLU 36 2HG GLU 36 11.225 14.350 10.184 303 HG3 GLU 36 1HG GLU 36 11.244 14.809 8.480 304 HA PRO 37 HA PRO 37 11.030 7.618 8.705 305 HB2 PRO 37 2HB PRO 37 9.917 7.096 11.289 306 HB3 PRO 37 1HB PRO 37 11.613 6.886 10.812 307 HG2 PRO 37 2HG PRO 37 10.319 9.204 12.204 308 HG3 PRO 37 1HG PRO 37 11.918 8.473 12.478 309 HD2 PRO 37 2HD PRO 37 11.743 10.770 11.154 310 HD3 PRO 37 1HD PRO 37 12.865 9.511 10.573 311 H LYS 38 H LYS 38 9.271 6.793 7.675 312 HA LYS 38 HA LYS 38 6.563 7.519 8.435 313 HB2 LYS 38 2HB LYS 38 5.948 8.471 6.249 314 HB3 LYS 38 1HB LYS 38 7.157 9.458 7.054 315 HG2 LYS 38 2HG LYS 38 8.907 8.469 5.581 316 HG3 LYS 38 1HG LYS 38 7.651 7.546 4.755 317 HD2 LYS 38 2HD LYS 38 8.041 9.435 3.369 318 HD3 LYS 38 1HD LYS 38 6.533 9.788 4.206 319 HE2 LYS 38 2HE LYS 38 9.274 10.907 4.915 320 HE3 LYS 38 1HE LYS 38 7.995 11.770 4.070 321 HZ1 LYS 38 3HZ LYS 38 8.030 10.898 6.906 322 HZ2 LYS 38 1HZ LYS 38 6.623 11.440 6.137 323 HZ3 LYS 38 2HZ LYS 38 7.947 12.473 6.301 324 H TYR 39 H TYR 39 5.070 6.612 6.554 325 HA TYR 39 HA TYR 39 5.562 3.791 6.914 326 HB2 TYR 39 2HB TYR 39 3.124 5.241 5.791 327 HB3 TYR 39 1HB TYR 39 3.179 3.580 6.393 328 HD1 TYR 39 HD2 TYR 39 3.362 3.146 8.852 329 HD2 TYR 39 HD1 TYR 39 3.076 7.150 7.379 330 HE1 TYR 39 HE2 TYR 39 2.865 3.952 11.125 331 HE2 TYR 39 HE1 TYR 39 2.588 7.948 9.646 332 HH TYR 39 HH TYR 39 1.613 6.997 11.765 333 H ASP 40 H ASP 40 5.962 2.412 5.405 334 HA ASP 40 HA ASP 40 5.786 3.002 2.514 335 HB2 ASP 40 2HB ASP 40 8.125 3.436 3.254 336 HB3 ASP 40 1HB ASP 40 8.222 1.815 3.936 337 H ILE 41 H ILE 41 5.267 1.240 1.262 338 HA ILE 41 HA ILE 41 4.833 -1.373 2.556 339 HB ILE 41 HB ILE 41 2.662 -0.318 2.869 340 HG12 ILE 41 2HG1 ILE 41 2.530 -2.300 0.545 341 HG13 ILE 41 1HG1 ILE 41 2.657 -2.718 2.249 342 HG21 ILE 41 1HG2 ILE 41 1.271 0.576 1.054 343 HG22 ILE 41 2HG2 ILE 41 2.575 0.289 -0.101 344 HG23 ILE 41 3HG2 ILE 41 2.789 1.469 1.195 345 HD11 ILE 41 3HD1 ILE 41 0.439 -1.730 2.637 346 HD12 ILE 41 1HD1 ILE 41 0.411 -3.045 1.464 347 HD13 ILE 41 2HD1 ILE 41 0.310 -1.373 0.910 348 H ARG 42 H ARG 42 5.555 -2.889 1.318 349 HA ARG 42 HA ARG 42 5.529 -2.916 -1.565 350 HB2 ARG 42 2HB ARG 42 7.785 -2.450 -2.143 351 HB3 ARG 42 1HB ARG 42 7.376 -1.182 -0.995 352 HG2 ARG 42 2HG ARG 42 8.487 -2.732 0.781 353 HG3 ARG 42 1HG ARG 42 9.174 -3.581 -0.607 354 HD2 ARG 42 2HD ARG 42 9.640 -0.739 0.299 355 HD3 ARG 42 1HD ARG 42 10.821 -2.020 0.072 356 HE ARG 42 HE ARG 42 10.480 -1.761 -2.352 357 HH11 ARG 42 1HH1 ARG 42 9.485 0.903 -0.266 358 HH12 ARG 42 2HH1 ARG 42 9.638 2.090 -1.521 359 HH21 ARG 42 1HH2 ARG 42 10.693 -0.175 -3.974 360 HH22 ARG 42 2HH2 ARG 42 10.320 1.479 -3.618 361 H THR 43 H THR 43 7.169 -4.762 -2.354 362 HA THR 43 HA THR 43 6.912 -6.985 -0.462 363 HB THR 43 HB THR 43 7.727 -7.121 -3.403 364 HG1 THR 43 HG1 THR 43 5.235 -6.787 -2.193 365 HG21 THR 43 3HG2 THR 43 6.939 -9.458 -3.224 366 HG22 THR 43 1HG2 THR 43 6.521 -9.204 -1.529 367 HG23 THR 43 2HG2 THR 43 8.213 -9.153 -2.037 368 H TRP 44 H TRP 44 8.678 -7.619 0.585 369 HA TRP 44 HA TRP 44 11.382 -6.674 -0.152 370 HB2 TRP 44 2HB TRP 44 10.171 -7.446 2.551 371 HB3 TRP 44 1HB TRP 44 11.886 -7.176 2.310 372 HD1 TRP 44 HD1 TRP 44 8.694 -5.336 3.111 373 HE1 TRP 44 HE1 TRP 44 9.247 -2.857 3.521 374 HE3 TRP 44 HE3 TRP 44 13.487 -5.231 1.295 375 HZ2 TRP 44 HZ2 TRP 44 11.386 -1.087 3.122 376 HZ3 TRP 44 HZ3 TRP 44 14.715 -3.093 1.342 377 HH2 TRP 44 HH2 TRP 44 13.682 -1.060 2.237 378 H SER 45 H SER 45 13.100 -8.236 0.337 379 HA SER 45 HA SER 45 12.427 -11.089 0.232 380 HB2 SER 45 2HB SER 45 14.940 -11.372 0.496 381 HB3 SER 45 1HB SER 45 14.463 -10.403 -0.894 382 HG SER 45 HG SER 45 16.165 -9.461 0.288 383 HA PRO 46 HA PRO 46 12.640 -11.906 4.758 384 HB2 PRO 46 2HB PRO 46 14.500 -14.005 4.859 385 HB3 PRO 46 1HB PRO 46 12.776 -14.212 4.486 386 HG2 PRO 46 2HG PRO 46 15.095 -13.982 2.579 387 HG3 PRO 46 1HG PRO 46 13.730 -15.125 2.554 388 HD2 PRO 46 2HD PRO 46 13.709 -13.004 0.937 389 HD3 PRO 46 1HD PRO 46 12.211 -13.498 1.761 390 H ASP 47 H ASP 47 15.582 -11.638 2.850 391 HA ASP 47 HA ASP 47 17.290 -10.822 5.051 392 HB2 ASP 47 2HB ASP 47 17.802 -10.945 2.042 393 HB3 ASP 47 1HB ASP 47 19.032 -10.612 3.258 394 H HIS 48 H HIS 48 15.059 -9.199 3.053 395 HA HIS 48 HA HIS 48 14.504 -7.066 2.668 396 HB2 HIS 48 2HB HIS 48 16.070 -6.684 5.239 397 HB3 HIS 48 1HB HIS 48 15.154 -5.376 4.489 398 HD1 HIS 48 HD1 HIS 48 14.744 -8.267 6.733 399 HD2 HIS 48 HD2 HIS 48 12.312 -5.943 4.317 400 HE1 HIS 48 HE1 HIS 48 12.400 -8.711 7.509 401 HE2 HIS 48 HE2 HIS 48 10.994 -7.053 6.252 402 H GLU 49 H GLU 49 17.058 -8.033 1.483 403 HA GLU 49 HA GLU 49 18.328 -5.438 0.797 404 HB2 GLU 49 2HB GLU 49 20.190 -6.891 -0.230 405 HB3 GLU 49 1HB GLU 49 20.089 -6.818 1.517 406 HG2 GLU 49 2HG GLU 49 20.616 -9.067 0.821 407 HG3 GLU 49 1HG GLU 49 19.025 -9.035 1.568 408 H LYS 50 H LYS 50 16.125 -7.670 -0.262 409 HA LYS 50 HA LYS 50 16.153 -6.599 -3.019 410 HB2 LYS 50 2HB LYS 50 14.997 -9.158 -1.885 411 HB3 LYS 50 1HB LYS 50 14.516 -8.554 -3.449 412 HG2 LYS 50 2HG LYS 50 17.373 -9.287 -2.768 413 HG3 LYS 50 1HG LYS 50 16.203 -10.454 -3.376 414 HD2 LYS 50 2HD LYS 50 17.374 -9.810 -5.299 415 HD3 LYS 50 1HD LYS 50 15.904 -8.840 -5.386 416 HE2 LYS 50 2HE LYS 50 17.895 -7.528 -5.984 417 HE3 LYS 50 1HE LYS 50 17.154 -6.887 -4.518 418 HZ1 LYS 50 3HZ LYS 50 18.819 -8.179 -3.231 419 HZ2 LYS 50 1HZ LYS 50 19.504 -6.986 -4.218 420 HZ3 LYS 50 2HZ LYS 50 19.568 -8.606 -4.689 421 H MET 51 H MET 51 14.338 -5.600 -3.714 422 HA MET 51 HA MET 51 11.841 -5.622 -2.244 423 HB2 MET 51 2HB MET 51 11.669 -3.164 -2.063 424 HB3 MET 51 1HB MET 51 13.013 -3.779 -1.116 425 HG2 MET 51 2HG MET 51 14.591 -3.022 -2.843 426 HG3 MET 51 1HG MET 51 13.240 -2.425 -3.815 427 HE1 MET 51 3HE MET 51 14.985 0.867 -2.479 428 HE2 MET 51 1HE MET 51 14.505 -0.028 -3.920 429 HE3 MET 51 2HE MET 51 15.804 -0.639 -2.890 430 H GLY 52 H GLY 52 10.172 -4.285 -3.497 431 HA2 GLY 52 2HA GLY 52 10.686 -3.941 -6.351 432 HA3 GLY 52 1HA GLY 52 9.648 -5.299 -5.922 433 H LYS 53 H LYS 53 7.801 -4.515 -6.860 434 HA LYS 53 HA LYS 53 6.779 -1.983 -7.051 435 HB2 LYS 53 2HB LYS 53 5.235 -4.584 -6.692 436 HB3 LYS 53 1HB LYS 53 4.514 -3.074 -7.246 437 HG2 LYS 53 2HG LYS 53 5.894 -3.099 -9.261 438 HG3 LYS 53 1HG LYS 53 6.747 -4.539 -8.698 439 HD2 LYS 53 2HD LYS 53 3.768 -4.412 -9.344 440 HD3 LYS 53 1HD LYS 53 5.011 -5.053 -10.421 441 HE2 LYS 53 2HE LYS 53 5.517 -6.848 -8.854 442 HE3 LYS 53 1HE LYS 53 4.428 -6.161 -7.651 443 HZ1 LYS 53 3HZ LYS 53 3.633 -7.305 -10.275 444 HZ2 LYS 53 1HZ LYS 53 2.578 -6.584 -9.169 445 HZ3 LYS 53 2HZ LYS 53 3.390 -8.006 -8.755 446 H GLY 54 H GLY 54 6.127 -0.468 -5.586 447 HA2 GLY 54 2HA GLY 54 4.368 -0.894 -3.462 448 HA3 GLY 54 1HA GLY 54 6.013 -0.866 -2.832 449 H ILE 55 H ILE 55 4.712 1.034 -1.792 450 HA ILE 55 HA ILE 55 5.345 3.535 -3.162 451 HB ILE 55 HB ILE 55 3.072 2.944 -3.999 452 HG12 ILE 55 2HG1 ILE 55 3.020 5.341 -2.111 453 HG13 ILE 55 1HG1 ILE 55 3.667 5.337 -3.749 454 HG21 ILE 55 1HG2 ILE 55 2.286 1.609 -2.089 455 HG22 ILE 55 2HG2 ILE 55 1.116 2.855 -2.522 456 HG23 ILE 55 3HG2 ILE 55 2.152 3.072 -1.108 457 HD11 ILE 55 3HD1 ILE 55 0.782 4.929 -2.972 458 HD12 ILE 55 1HD1 ILE 55 1.426 4.874 -4.618 459 HD13 ILE 55 2HD1 ILE 55 1.503 6.369 -3.690 460 H THR 56 H THR 56 5.226 5.366 -1.785 461 HA THR 56 HA THR 56 5.501 4.848 1.099 462 HB THR 56 HB THR 56 6.204 7.483 0.895 463 HG1 THR 56 HG1 THR 56 6.171 7.948 -1.185 464 HG21 THR 56 3HG2 THR 56 8.059 5.181 0.202 465 HG22 THR 56 1HG2 THR 56 7.654 5.735 1.831 466 HG23 THR 56 2HG2 THR 56 8.555 6.786 0.738 467 H LEU 57 H LEU 57 4.278 5.792 2.570 468 HA LEU 57 HA LEU 57 2.057 7.602 1.880 469 HB2 LEU 57 2HB LEU 57 2.137 5.491 4.097 470 HB3 LEU 57 1HB LEU 57 0.798 6.579 3.760 471 HG LEU 57 HG LEU 57 1.742 4.288 1.985 472 HD11 LEU 57 1HD1 LEU 57 -0.777 4.557 3.662 473 HD12 LEU 57 2HD1 LEU 57 0.595 3.492 3.990 474 HD13 LEU 57 3HD1 LEU 57 -0.399 3.227 2.561 475 HD21 LEU 57 3HD2 LEU 57 0.904 6.112 0.600 476 HD22 LEU 57 1HD2 LEU 57 -0.575 6.208 1.563 477 HD23 LEU 57 2HD2 LEU 57 -0.237 4.771 0.592 478 H SER 58 H SER 58 2.136 9.493 3.078 479 HA SER 58 HA SER 58 4.167 9.808 5.180 480 HB2 SER 58 2HB SER 58 2.084 11.828 4.240 481 HB3 SER 58 1HB SER 58 3.531 12.155 5.201 482 HG SER 58 HG SER 58 3.268 11.636 2.464 483 H GLU 59 H GLU 59 3.261 10.994 7.246 484 HA GLU 59 HA GLU 59 1.585 9.221 8.605 485 HB2 GLU 59 2HB GLU 59 2.303 12.072 9.419 486 HB3 GLU 59 1HB GLU 59 1.728 10.795 10.485 487 HG2 GLU 59 2HG GLU 59 3.997 10.694 10.915 488 HG3 GLU 59 1HG GLU 59 3.859 9.489 9.646 489 H GLU 60 H GLU 60 0.915 12.248 6.965 490 HA GLU 60 HA GLU 60 -1.793 12.640 7.510 491 HB2 GLU 60 2HB GLU 60 -0.348 13.100 4.860 492 HB3 GLU 60 1HB GLU 60 -1.885 13.823 5.336 493 HG2 GLU 60 2HG GLU 60 -0.771 15.030 7.158 494 HG3 GLU 60 1HG GLU 60 0.766 14.286 6.733 495 H GLU 61 H GLU 61 -0.383 10.849 4.728 496 HA GLU 61 HA GLU 61 -2.718 9.887 3.564 497 HB2 GLU 61 2HB GLU 61 0.137 8.855 3.522 498 HB3 GLU 61 1HB GLU 61 -1.132 7.965 2.696 499 HG2 GLU 61 2HG GLU 61 -0.019 9.304 1.082 500 HG3 GLU 61 1HG GLU 61 -1.624 9.975 1.333 501 H PHE 62 H PHE 62 -0.552 8.197 5.825 502 HA PHE 62 HA PHE 62 -2.040 5.805 5.924 503 HB2 PHE 62 2HB PHE 62 0.427 6.061 6.381 504 HB3 PHE 62 1HB PHE 62 0.019 6.799 7.925 505 HD1 PHE 62 HD2 PHE 62 -0.239 3.661 5.938 506 HD2 PHE 62 HD1 PHE 62 -0.519 5.416 9.832 507 HE1 PHE 62 HE2 PHE 62 -0.303 1.422 6.950 508 HE2 PHE 62 HE1 PHE 62 -0.580 3.172 10.829 509 HZ PHE 62 HZ PHE 62 -0.471 1.179 9.394 510 H GLY 63 H GLY 63 -1.955 8.709 8.069 511 HA2 GLY 63 2HA GLY 63 -3.646 7.791 10.089 512 HA3 GLY 63 1HA GLY 63 -3.470 9.461 9.582 513 H VAL 64 H VAL 64 -4.479 9.483 7.053 514 HA VAL 64 HA VAL 64 -7.295 9.440 7.354 515 HB VAL 64 HB VAL 64 -5.553 9.652 4.859 516 HG11 VAL 64 1HG1 VAL 64 -8.542 10.172 5.029 517 HG12 VAL 64 2HG1 VAL 64 -7.778 8.831 4.176 518 HG13 VAL 64 3HG1 VAL 64 -7.513 10.485 3.623 519 HG21 VAL 64 3HG2 VAL 64 -6.050 12.063 4.963 520 HG22 VAL 64 1HG2 VAL 64 -5.294 11.514 6.463 521 HG23 VAL 64 2HG2 VAL 64 -7.034 11.809 6.408 522 H LEU 65 H LEU 65 -4.983 7.088 5.970 523 HA LEU 65 HA LEU 65 -6.770 5.274 4.785 524 HB2 LEU 65 2HB LEU 65 -4.258 5.287 4.520 525 HB3 LEU 65 1HB LEU 65 -4.115 4.669 6.154 526 HG LEU 65 HG LEU 65 -5.446 2.601 5.361 527 HD11 LEU 65 1HD1 LEU 65 -5.473 2.107 2.979 528 HD12 LEU 65 2HD1 LEU 65 -4.834 3.713 2.617 529 HD13 LEU 65 3HD1 LEU 65 -6.431 3.539 3.348 530 HD21 LEU 65 3HD2 LEU 65 -3.020 2.542 5.746 531 HD22 LEU 65 1HD2 LEU 65 -2.729 3.105 4.097 532 HD23 LEU 65 2HD2 LEU 65 -3.471 1.527 4.377 533 H LEU 66 H LEU 66 -5.342 5.356 8.083 534 HA LEU 66 HA LEU 66 -6.556 3.117 9.200 535 HB2 LEU 66 2HB LEU 66 -5.629 5.722 10.450 536 HB3 LEU 66 1HB LEU 66 -6.151 4.346 11.398 537 HG LEU 66 HG LEU 66 -3.745 4.397 9.543 538 HD11 LEU 66 1HD1 LEU 66 -3.851 4.348 12.574 539 HD12 LEU 66 2HD1 LEU 66 -3.376 5.720 11.568 540 HD13 LEU 66 3HD1 LEU 66 -2.394 4.257 11.578 541 HD21 LEU 66 3HD2 LEU 66 -4.756 2.169 11.337 542 HD22 LEU 66 1HD2 LEU 66 -3.220 2.175 10.461 543 HD23 LEU 66 2HD2 LEU 66 -4.737 2.178 9.571 544 H LYS 67 H LYS 67 -7.631 6.524 9.170 545 HA LYS 67 HA LYS 67 -9.939 6.329 10.761 546 HB2 LYS 67 2HB LYS 67 -9.227 8.218 8.486 547 HB3 LYS 67 1HB LYS 67 -10.656 8.429 9.494 548 HG2 LYS 67 2HG LYS 67 -9.365 8.909 11.432 549 HG3 LYS 67 1HG LYS 67 -7.876 8.311 10.691 550 HD2 LYS 67 2HD LYS 67 -8.014 10.830 10.820 551 HD3 LYS 67 1HD LYS 67 -7.767 10.207 9.187 552 HE2 LYS 67 2HE LYS 67 -10.195 10.502 8.732 553 HE3 LYS 67 1HE LYS 67 -10.406 11.171 10.354 554 HZ1 LYS 67 3HZ LYS 67 -8.837 12.943 9.706 555 HZ2 LYS 67 1HZ LYS 67 -10.243 12.934 8.774 556 HZ3 LYS 67 2HZ LYS 67 -8.803 12.326 8.137 557 H GLU 68 H GLU 68 -9.595 6.218 7.229 558 HA GLU 68 HA GLU 68 -12.403 5.925 6.765 559 HB2 GLU 68 2HB GLU 68 -10.014 5.826 4.901 560 HB3 GLU 68 1HB GLU 68 -11.683 5.730 4.351 561 HG2 GLU 68 2HG GLU 68 -10.337 8.070 5.736 562 HG3 GLU 68 1HG GLU 68 -10.863 7.987 4.055 563 H LEU 69 H LEU 69 -9.630 3.674 6.707 564 HA LEU 69 HA LEU 69 -11.036 1.357 5.943 565 HB2 LEU 69 2HB LEU 69 -8.611 1.653 7.749 566 HB3 LEU 69 1HB LEU 69 -9.292 0.083 7.347 567 HG LEU 69 HG LEU 69 -8.056 2.052 5.384 568 HD11 LEU 69 1HD1 LEU 69 -7.044 -0.635 6.340 569 HD12 LEU 69 2HD1 LEU 69 -6.387 0.947 6.772 570 HD13 LEU 69 3HD1 LEU 69 -6.295 0.388 5.106 571 HD21 LEU 69 3HD2 LEU 69 -8.324 0.348 3.687 572 HD22 LEU 69 1HD2 LEU 69 -9.895 0.818 4.332 573 HD23 LEU 69 2HD2 LEU 69 -9.160 -0.712 4.832 574 H GLY 70 H GLY 70 -10.514 2.900 9.094 575 HA2 GLY 70 2HA GLY 70 -11.786 1.079 10.780 576 HA3 GLY 70 1HA GLY 70 -11.633 2.803 11.072 577 H ASN 71 H ASN 71 -13.112 3.756 8.906 578 HA ASN 71 HA ASN 71 -15.831 3.612 9.773 579 HB2 ASN 71 2HB ASN 71 -14.652 4.669 7.158 580 HB3 ASN 71 1HB ASN 71 -16.336 4.879 7.629 581 HD21 ASN 71 1HD2 ASN 71 -14.248 6.863 7.090 582 HD22 ASN 71 2HD2 ASN 71 -14.140 7.840 8.508 583 H LYS 72 H LYS 72 -14.435 2.554 6.674 584 HA LYS 72 HA LYS 72 -16.228 0.744 5.724 585 HB2 LYS 72 2HB LYS 72 -13.206 0.361 5.686 586 HB3 LYS 72 1HB LYS 72 -14.339 -0.498 4.645 587 HG2 LYS 72 2HG LYS 72 -15.007 1.631 3.589 588 HG3 LYS 72 1HG LYS 72 -13.927 2.512 4.662 589 HD2 LYS 72 2HD LYS 72 -12.615 2.383 2.742 590 HD3 LYS 72 1HD LYS 72 -12.053 0.961 3.619 591 HE2 LYS 72 2HE LYS 72 -14.013 1.035 1.304 592 HE3 LYS 72 1HE LYS 72 -12.377 0.382 1.292 593 HZ1 LYS 72 3HZ LYS 72 -14.749 -0.715 2.695 594 HZ2 LYS 72 1HZ LYS 72 -13.175 -1.271 2.957 595 HZ3 LYS 72 2HZ LYS 72 -13.874 -1.419 1.432 596 H LEU 73 H LEU 73 -14.118 0.154 8.516 597 HA LEU 73 HA LEU 73 -14.694 -2.659 8.725 598 HB2 LEU 73 2HB LEU 73 -13.322 -0.738 10.636 599 HB3 LEU 73 1HB LEU 73 -13.560 -2.435 11.013 600 HG LEU 73 HG LEU 73 -11.829 -1.288 8.796 601 HD11 LEU 73 1HD1 LEU 73 -9.966 -2.307 9.995 602 HD12 LEU 73 2HD1 LEU 73 -11.064 -2.883 11.252 603 HD13 LEU 73 3HD1 LEU 73 -10.823 -1.150 11.014 604 HD21 LEU 73 3HD2 LEU 73 -11.199 -3.587 8.231 605 HD22 LEU 73 1HD2 LEU 73 -12.911 -3.293 7.940 606 HD23 LEU 73 2HD2 LEU 73 -12.404 -4.209 9.363 607 H GLU 74 H GLU 74 -16.232 0.239 9.910 608 HA GLU 74 HA GLU 74 -17.791 -0.994 11.975 609 HB2 GLU 74 2HB GLU 74 -18.496 1.532 10.418 610 HB3 GLU 74 1HB GLU 74 -19.151 1.044 11.981 611 HG2 GLU 74 2HG GLU 74 -16.315 1.931 11.371 612 HG3 GLU 74 1HG GLU 74 -17.524 2.823 12.284 613 H HIS 75 H HIS 75 -18.659 0.048 8.652 614 HA HIS 75 HA HIS 75 -20.814 -1.990 8.582 615 HB2 HIS 75 2HB HIS 75 -21.591 -0.733 6.515 616 HB3 HIS 75 1HB HIS 75 -21.686 0.159 8.022 617 HD1 HIS 75 HD1 HIS 75 -21.660 2.455 6.929 618 HD2 HIS 75 HD2 HIS 75 -18.351 0.169 5.873 619 HE1 HIS 75 HE1 HIS 75 -20.123 4.006 5.700 620 HE2 HIS 75 HE2 HIS 75 -18.221 2.561 4.931 621 H HIS 76 H HIS 76 -19.027 -3.623 8.464 622 HA HIS 76 HA HIS 76 -17.500 -3.640 5.935 623 HB2 HIS 76 2HB HIS 76 -16.390 -3.743 8.291 624 HB3 HIS 76 1HB HIS 76 -16.932 -5.418 8.339 625 HD1 HIS 76 HD1 HIS 76 -14.986 -3.181 5.953 626 HD2 HIS 76 HD2 HIS 76 -14.994 -7.097 7.336 627 HE1 HIS 76 HE1 HIS 76 -13.019 -4.292 4.856 628 HE2 HIS 76 HE2 HIS 76 -12.939 -6.585 5.873 629 H HIS 77 H HIS 77 -20.360 -4.626 6.275 630 HA HIS 77 HA HIS 77 -20.453 -7.432 6.005 631 HB2 HIS 77 2HB HIS 77 -22.719 -7.094 5.024 632 HB3 HIS 77 1HB HIS 77 -22.477 -6.168 6.494 633 HD1 HIS 77 HD1 HIS 77 -23.226 -5.802 2.877 634 HD2 HIS 77 HD2 HIS 77 -22.372 -3.320 6.100 635 HE1 HIS 77 HE1 HIS 77 -23.881 -3.494 2.151 636 HE2 HIS 77 HE2 HIS 77 -23.178 -2.003 4.041 637 H HIS 78 H HIS 78 -19.349 -8.565 4.557 638 HA HIS 78 HA HIS 78 -19.449 -7.973 1.690 639 HB2 HIS 78 2HB HIS 78 -17.057 -7.935 1.364 640 HB3 HIS 78 1HB HIS 78 -17.395 -6.788 2.646 641 HD1 HIS 78 HD1 HIS 78 -17.264 -8.270 5.171 642 HD2 HIS 78 HD2 HIS 78 -14.791 -9.281 1.995 643 HE1 HIS 78 HE1 HIS 78 -15.335 -9.506 6.183 644 HE2 HIS 78 HE2 HIS 78 -13.988 -10.295 4.217 645 H HIS 79 H HIS 79 -18.409 -9.832 0.427 646 HA HIS 79 HA HIS 79 -19.475 -12.318 1.322 647 HB2 HIS 79 2HB HIS 79 -18.678 -13.273 -0.742 648 HB3 HIS 79 1HB HIS 79 -19.228 -11.650 -1.120 649 HD1 HIS 79 HD1 HIS 79 -17.500 -10.016 -2.069 650 HD2 HIS 79 HD2 HIS 79 -15.843 -13.666 -0.983 651 HE1 HIS 79 HE1 HIS 79 -15.181 -10.016 -3.016 652 HE2 HIS 79 HE2 HIS 79 -14.130 -12.108 -2.120 653 H HIS 80 H HIS 80 -18.361 -14.247 2.028 654 HA HIS 80 HA HIS 80 -15.805 -13.754 3.355 655 HB2 HIS 80 2HB HIS 80 -16.262 -16.085 4.345 656 HB3 HIS 80 1HB HIS 80 -17.378 -14.809 4.804 657 HD1 HIS 80 HD1 HIS 80 -17.189 -17.993 2.825 658 HD2 HIS 80 HD2 HIS 80 -20.044 -15.201 3.969 659 HE1 HIS 80 HE1 HIS 80 -19.404 -19.006 2.231 660 HE2 HIS 80 HE2 HIS 80 -21.105 -17.262 2.845 661 H1 MET 1 1H MET 1 0.016 -15.107 -17.341 662 H2 MET 1 2H MET 1 1.355 -15.841 -18.061 663 H3 MET 1 3H MET 1 0.499 -16.652 -16.849 664 HA MET 1 HA MET 1 -0.031 -17.560 -18.986 665 HB2 MET 1 2HB MET 1 -1.777 -17.523 -17.225 666 HB3 MET 1 1HB MET 1 -2.294 -15.929 -17.745 667 HG2 MET 1 2HG MET 1 -3.042 -16.895 -19.902 668 HG3 MET 1 1HG MET 1 -2.558 -18.497 -19.332 669 HE1 MET 1 3HE MET 1 -5.599 -17.686 -20.345 670 HE2 MET 1 1HE MET 1 -6.538 -18.578 -19.148 671 HE3 MET 1 2HE MET 1 -5.117 -19.320 -19.883 672 H ALA 2 H ALA 2 -1.569 -14.313 -18.902 673 HA ALA 2 HA ALA 2 -1.175 -13.947 -21.787 674 HB1 ALA 2 3HB ALA 2 -3.350 -13.342 -20.806 675 HB2 ALA 2 1HB ALA 2 -2.554 -11.911 -21.464 676 HB3 ALA 2 2HB ALA 2 -2.569 -12.192 -19.720 677 H ASP 3 H ASP 3 0.211 -12.396 -22.685 678 HA ASP 3 HA ASP 3 2.498 -11.519 -21.209 679 HB2 ASP 3 2HB ASP 3 1.498 -10.588 -23.944 680 HB3 ASP 3 1HB ASP 3 3.069 -10.176 -23.265 681 H LYS 4 H LYS 4 -0.321 -9.861 -22.505 682 HA LYS 4 HA LYS 4 0.291 -7.396 -20.993 683 HB2 LYS 4 2HB LYS 4 -0.165 -7.290 -23.493 684 HB3 LYS 4 1HB LYS 4 -1.814 -7.812 -23.164 685 HG2 LYS 4 2HG LYS 4 -2.168 -5.781 -21.784 686 HG3 LYS 4 1HG LYS 4 -0.515 -5.261 -22.143 687 HD2 LYS 4 2HD LYS 4 -1.096 -5.174 -24.566 688 HD3 LYS 4 1HD LYS 4 -2.753 -5.652 -24.174 689 HE2 LYS 4 2HE LYS 4 -1.366 -3.106 -23.264 690 HE3 LYS 4 1HE LYS 4 -2.595 -3.228 -24.525 691 HZ1 LYS 4 3HZ LYS 4 -2.973 -3.821 -21.636 692 HZ2 LYS 4 1HZ LYS 4 -4.144 -4.052 -22.835 693 HZ3 LYS 4 2HZ LYS 4 -3.588 -2.498 -22.489 694 H LEU 5 H LEU 5 -1.126 -6.594 -19.489 695 HA LEU 5 HA LEU 5 -3.398 -8.274 -18.623 696 HB2 LEU 5 2HB LEU 5 -1.961 -6.014 -17.158 697 HB3 LEU 5 1HB LEU 5 -3.311 -6.937 -16.515 698 HG LEU 5 HG LEU 5 -0.516 -7.996 -17.101 699 HD11 LEU 5 1HD1 LEU 5 -1.954 -7.605 -14.460 700 HD12 LEU 5 2HD1 LEU 5 -0.642 -6.602 -15.089 701 HD13 LEU 5 3HD1 LEU 5 -0.340 -8.290 -14.685 702 HD21 LEU 5 3HD2 LEU 5 -2.928 -9.493 -16.021 703 HD22 LEU 5 1HD2 LEU 5 -1.277 -10.119 -16.109 704 HD23 LEU 5 2HD2 LEU 5 -2.151 -9.738 -17.588 705 H LYS 6 H LYS 6 -5.331 -7.197 -18.007 706 HA LYS 6 HA LYS 6 -5.827 -4.483 -19.095 707 HB2 LYS 6 2HB LYS 6 -7.891 -6.674 -18.497 708 HB3 LYS 6 1HB LYS 6 -8.232 -5.080 -19.168 709 HG2 LYS 6 2HG LYS 6 -6.685 -7.312 -20.538 710 HG3 LYS 6 1HG LYS 6 -8.349 -6.833 -20.890 711 HD2 LYS 6 2HD LYS 6 -5.927 -5.017 -21.233 712 HD3 LYS 6 1HD LYS 6 -6.642 -5.976 -22.529 713 HE2 LYS 6 2HE LYS 6 -8.138 -3.835 -20.968 714 HE3 LYS 6 1HE LYS 6 -7.365 -3.583 -22.533 715 HZ1 LYS 6 3HZ LYS 6 -8.807 -5.250 -23.491 716 HZ2 LYS 6 1HZ LYS 6 -9.714 -4.022 -22.770 717 HZ3 LYS 6 2HZ LYS 6 -9.553 -5.513 -21.995 718 H PHE 7 H PHE 7 -6.925 -3.064 -17.540 719 HA PHE 7 HA PHE 7 -7.191 -4.064 -14.796 720 HB2 PHE 7 2HB PHE 7 -6.096 -1.966 -13.944 721 HB3 PHE 7 1HB PHE 7 -4.988 -3.024 -14.793 722 HD1 PHE 7 HD1 PHE 7 -4.077 -2.371 -17.031 723 HD2 PHE 7 HD2 PHE 7 -6.600 0.282 -14.802 724 HE1 PHE 7 HE1 PHE 7 -3.357 -0.485 -18.440 725 HE2 PHE 7 HE2 PHE 7 -5.873 2.154 -16.221 726 HZ PHE 7 HZ PHE 7 -4.252 1.776 -18.036 727 H GLU 8 H GLU 8 -9.024 -3.310 -13.857 728 HA GLU 8 HA GLU 8 -10.338 -0.908 -14.940 729 HB2 GLU 8 2HB GLU 8 -11.421 -2.861 -16.046 730 HB3 GLU 8 1HB GLU 8 -11.739 -3.584 -14.470 731 HG2 GLU 8 2HG GLU 8 -13.204 -1.653 -13.897 732 HG3 GLU 8 1HG GLU 8 -12.897 -0.963 -15.493 733 H ILE 9 H ILE 9 -10.893 0.360 -13.294 734 HA ILE 9 HA ILE 9 -10.393 -0.511 -10.567 735 HB ILE 9 HB ILE 9 -11.261 2.228 -11.619 736 HG12 ILE 9 2HG1 ILE 9 -8.562 1.148 -10.669 737 HG13 ILE 9 1HG1 ILE 9 -8.978 1.632 -12.307 738 HG21 ILE 9 1HG2 ILE 9 -10.450 1.448 -8.783 739 HG22 ILE 9 2HG2 ILE 9 -12.074 1.904 -9.302 740 HG23 ILE 9 3HG2 ILE 9 -10.772 3.092 -9.345 741 HD11 ILE 9 3HD1 ILE 9 -9.186 3.957 -11.542 742 HD12 ILE 9 1HD1 ILE 9 -7.585 3.281 -11.258 743 HD13 ILE 9 2HD1 ILE 9 -8.714 3.454 -9.917 744 H ILE 10 H ILE 10 -11.851 -1.553 -9.591 745 HA ILE 10 HA ILE 10 -14.593 -1.846 -10.430 746 HB ILE 10 HB ILE 10 -12.978 -3.042 -8.126 747 HG12 ILE 10 2HG1 ILE 10 -12.226 -3.860 -10.290 748 HG13 ILE 10 1HG1 ILE 10 -13.108 -5.155 -9.490 749 HG21 ILE 10 1HG2 ILE 10 -14.815 -4.662 -7.754 750 HG22 ILE 10 2HG2 ILE 10 -15.827 -3.765 -8.890 751 HG23 ILE 10 3HG2 ILE 10 -15.295 -3.004 -7.386 752 HD11 ILE 10 3HD1 ILE 10 -13.657 -5.109 -11.812 753 HD12 ILE 10 1HD1 ILE 10 -14.104 -3.407 -11.733 754 HD13 ILE 10 2HD1 ILE 10 -15.080 -4.619 -10.893 755 H GLU 11 H GLU 11 -12.767 -0.357 -7.792 756 HA GLU 11 HA GLU 11 -14.962 1.398 -7.077 757 HB2 GLU 11 2HB GLU 11 -15.511 -0.764 -5.919 758 HB3 GLU 11 1HB GLU 11 -13.964 -0.688 -5.088 759 HG2 GLU 11 2HG GLU 11 -14.669 1.294 -3.857 760 HG3 GLU 11 1HG GLU 11 -16.167 1.381 -4.792 761 H GLU 12 H GLU 12 -14.170 3.222 -6.084 762 HA GLU 12 HA GLU 12 -11.278 3.431 -5.473 763 HB2 GLU 12 2HB GLU 12 -13.404 5.628 -5.645 764 HB3 GLU 12 1HB GLU 12 -11.681 5.886 -5.369 765 HG2 GLU 12 2HG GLU 12 -11.156 5.059 -7.613 766 HG3 GLU 12 1HG GLU 12 -12.858 4.673 -7.897 767 H LEU 13 H LEU 13 -10.689 3.212 -3.360 768 HA LEU 13 HA LEU 13 -12.905 2.637 -1.483 769 HB2 LEU 13 2HB LEU 13 -9.932 2.031 -1.256 770 HB3 LEU 13 1HB LEU 13 -11.185 1.450 -0.163 771 HG LEU 13 HG LEU 13 -11.056 0.728 -3.124 772 HD11 LEU 13 1HD1 LEU 13 -9.102 -0.174 -2.016 773 HD12 LEU 13 2HD1 LEU 13 -10.231 -1.466 -2.424 774 HD13 LEU 13 3HD1 LEU 13 -10.109 -0.896 -0.755 775 HD21 LEU 13 3HD2 LEU 13 -12.664 -1.037 -2.538 776 HD22 LEU 13 1HD2 LEU 13 -13.313 0.565 -2.194 777 HD23 LEU 13 2HD2 LEU 13 -12.724 -0.449 -0.872 778 H ILE 14 H ILE 14 -9.725 4.232 -1.349 779 HA ILE 14 HA ILE 14 -10.731 6.360 0.415 780 HB ILE 14 HB ILE 14 -8.154 4.834 1.065 781 HG12 ILE 14 2HG1 ILE 14 -10.812 4.658 2.564 782 HG13 ILE 14 1HG1 ILE 14 -10.148 3.396 1.532 783 HG21 ILE 14 1HG2 ILE 14 -8.132 7.202 1.740 784 HG22 ILE 14 2HG2 ILE 14 -8.176 6.158 3.160 785 HG23 ILE 14 3HG2 ILE 14 -9.643 6.982 2.628 786 HD11 ILE 14 3HD1 ILE 14 -8.878 4.415 4.069 787 HD12 ILE 14 1HD1 ILE 14 -8.275 3.116 3.036 788 HD13 ILE 14 2HD1 ILE 14 -9.807 2.929 3.885 789 H VAL 15 H VAL 15 -10.000 8.293 -0.385 790 HA VAL 15 HA VAL 15 -7.642 8.472 -2.102 791 HB VAL 15 HB VAL 15 -9.418 10.700 -0.983 792 HG11 VAL 15 1HG1 VAL 15 -8.386 12.162 -2.699 793 HG12 VAL 15 2HG1 VAL 15 -7.310 10.847 -3.180 794 HG13 VAL 15 3HG1 VAL 15 -7.174 11.554 -1.568 795 HG21 VAL 15 3HG2 VAL 15 -9.441 9.396 -3.730 796 HG22 VAL 15 1HG2 VAL 15 -10.424 10.785 -3.243 797 HG23 VAL 15 2HG2 VAL 15 -10.676 9.214 -2.480 798 H LEU 16 H LEU 16 -5.652 8.630 -1.241 799 HA LEU 16 HA LEU 16 -5.326 9.257 1.622 800 HB2 LEU 16 2HB LEU 16 -3.388 7.995 -0.353 801 HB3 LEU 16 1HB LEU 16 -3.096 8.200 1.369 802 HG LEU 16 HG LEU 16 -5.261 6.444 0.137 803 HD11 LEU 16 1HD1 LEU 16 -3.042 5.474 -0.183 804 HD12 LEU 16 2HD1 LEU 16 -3.973 4.545 0.989 805 HD13 LEU 16 3HD1 LEU 16 -2.699 5.636 1.543 806 HD21 LEU 16 3HD2 LEU 16 -5.991 7.409 2.257 807 HD22 LEU 16 1HD2 LEU 16 -4.514 6.849 3.048 808 HD23 LEU 16 2HD2 LEU 16 -5.686 5.686 2.425 809 H SER 17 H SER 17 -4.481 10.454 -1.570 810 HA SER 17 HA SER 17 -3.715 13.012 -0.705 811 HB2 SER 17 2HB SER 17 -1.655 11.870 0.075 812 HB3 SER 17 1HB SER 17 -1.367 11.257 -1.548 813 HG SER 17 HG SER 17 -1.413 13.974 -0.731 814 H GLU 18 H GLU 18 -3.370 14.400 -2.393 815 HA GLU 18 HA GLU 18 -3.864 13.437 -5.158 816 HB2 GLU 18 2HB GLU 18 -5.991 14.208 -4.194 817 HB3 GLU 18 1HB GLU 18 -5.264 15.743 -3.729 818 HG2 GLU 18 2HG GLU 18 -5.058 16.429 -6.040 819 HG3 GLU 18 1HG GLU 18 -5.508 14.822 -6.614 820 H ASN 19 H ASN 19 -2.669 14.454 -6.730 821 HA ASN 19 HA ASN 19 -0.365 16.017 -5.664 822 HB2 ASN 19 2HB ASN 19 0.029 13.903 -6.922 823 HB3 ASN 19 1HB ASN 19 -0.755 14.589 -8.335 824 HD21 ASN 19 1HD2 ASN 19 2.104 14.646 -6.330 825 HD22 ASN 19 2HD2 ASN 19 3.114 15.422 -7.494 826 H ALA 20 H ALA 20 0.573 17.760 -7.208 827 HA ALA 20 HA ALA 20 -1.392 19.769 -7.741 828 HB1 ALA 20 3HB ALA 20 0.500 21.136 -8.515 829 HB2 ALA 20 1HB ALA 20 1.545 19.711 -8.523 830 HB3 ALA 20 2HB ALA 20 0.897 20.320 -7.000 831 H LYS 21 H LYS 21 0.443 17.542 -9.807 832 HA LYS 21 HA LYS 21 -0.806 18.230 -12.288 833 HB2 LYS 21 2HB LYS 21 0.353 15.516 -11.497 834 HB3 LYS 21 1HB LYS 21 0.138 16.133 -13.135 835 HG2 LYS 21 2HG LYS 21 2.121 17.117 -11.046 836 HG3 LYS 21 1HG LYS 21 2.488 16.209 -12.517 837 HD2 LYS 21 2HD LYS 21 1.717 18.131 -13.887 838 HD3 LYS 21 1HD LYS 21 1.351 19.030 -12.412 839 HE2 LYS 21 2HE LYS 21 4.115 18.070 -13.241 840 HE3 LYS 21 1HE LYS 21 3.506 19.720 -13.399 841 HZ1 LYS 21 3HZ LYS 21 3.877 18.245 -10.844 842 HZ2 LYS 21 1HZ LYS 21 3.280 19.822 -10.987 843 HZ3 LYS 21 2HZ LYS 21 4.873 19.478 -11.433 844 H GLY 22 H GLY 22 -1.955 16.699 -9.513 845 HA2 GLY 22 2HA GLY 22 -4.325 16.402 -9.225 846 HA3 GLY 22 1HA GLY 22 -4.396 15.656 -10.812 847 H TRP 23 H TRP 23 -1.725 14.281 -10.099 848 HA TRP 23 HA TRP 23 -2.879 11.768 -10.150 849 HB2 TRP 23 2HB TRP 23 -0.062 12.681 -9.528 850 HB3 TRP 23 1HB TRP 23 -0.477 10.976 -9.424 851 HD1 TRP 23 HD1 TRP 23 -1.110 13.689 -12.182 852 HE1 TRP 23 HE1 TRP 23 -0.386 12.672 -14.428 853 HE3 TRP 23 HE3 TRP 23 0.361 9.060 -10.556 854 HZ2 TRP 23 HZ2 TRP 23 0.615 10.214 -15.406 855 HZ3 TRP 23 HZ3 TRP 23 1.189 7.431 -12.212 856 HH2 TRP 23 HH2 TRP 23 1.310 8.003 -14.590 857 H ARG 24 H ARG 24 -3.867 10.540 -8.647 858 HA ARG 24 HA ARG 24 -3.637 11.367 -5.832 859 HB2 ARG 24 2HB ARG 24 -5.856 10.076 -7.443 860 HB3 ARG 24 1HB ARG 24 -5.785 9.803 -5.704 861 HG2 ARG 24 2HG ARG 24 -5.813 12.255 -5.329 862 HG3 ARG 24 1HG ARG 24 -5.961 12.513 -7.068 863 HD2 ARG 24 2HD ARG 24 -7.982 10.846 -5.549 864 HD3 ARG 24 1HD ARG 24 -8.101 12.603 -5.588 865 HE ARG 24 HE ARG 24 -8.179 12.376 -8.078 866 HH11 ARG 24 1HH1 ARG 24 -9.287 9.688 -6.076 867 HH12 ARG 24 2HH1 ARG 24 -10.380 9.101 -7.280 868 HH21 ARG 24 1HH2 ARG 24 -9.668 11.623 -9.593 869 HH22 ARG 24 2HH2 ARG 24 -10.597 10.200 -9.266 870 H LYS 25 H LYS 25 -2.246 10.214 -4.676 871 HA LYS 25 HA LYS 25 -1.796 7.386 -5.352 872 HB2 LYS 25 2HB LYS 25 -0.009 7.372 -3.680 873 HB3 LYS 25 1HB LYS 25 0.248 8.602 -4.898 874 HG2 LYS 25 2HG LYS 25 -0.337 10.352 -3.303 875 HG3 LYS 25 1HG LYS 25 -0.744 9.138 -2.083 876 HD2 LYS 25 2HD LYS 25 1.630 8.329 -2.131 877 HD3 LYS 25 1HD LYS 25 2.019 9.595 -3.300 878 HE2 LYS 25 2HE LYS 25 0.979 10.107 -0.496 879 HE3 LYS 25 1HE LYS 25 2.681 10.155 -0.956 880 HZ1 LYS 25 3HZ LYS 25 0.582 11.892 -2.146 881 HZ2 LYS 25 1HZ LYS 25 2.252 11.992 -2.397 882 HZ3 LYS 25 2HZ LYS 25 1.602 12.350 -0.881 883 H GLU 26 H GLU 26 -3.468 6.254 -4.778 884 HA GLU 26 HA GLU 26 -4.692 6.582 -2.113 885 HB2 GLU 26 2HB GLU 26 -6.942 6.543 -3.182 886 HB3 GLU 26 1HB GLU 26 -6.003 7.962 -3.620 887 HG2 GLU 26 2HG GLU 26 -5.514 6.983 -5.823 888 HG3 GLU 26 1HG GLU 26 -6.392 5.517 -5.380 889 H LEU 27 H LEU 27 -6.344 4.907 -1.718 890 HA LEU 27 HA LEU 27 -5.505 2.225 -2.573 891 HB2 LEU 27 2HB LEU 27 -5.614 2.709 -0.142 892 HB3 LEU 27 1HB LEU 27 -7.288 3.213 -0.306 893 HG LEU 27 HG LEU 27 -7.837 0.827 -1.034 894 HD11 LEU 27 1HD1 LEU 27 -6.260 -0.969 -0.446 895 HD12 LEU 27 2HD1 LEU 27 -5.027 0.236 -0.067 896 HD13 LEU 27 3HD1 LEU 27 -5.630 0.076 -1.717 897 HD21 LEU 27 3HD2 LEU 27 -8.330 1.669 1.213 898 HD22 LEU 27 1HD2 LEU 27 -6.731 1.164 1.764 899 HD23 LEU 27 2HD2 LEU 27 -7.911 -0.039 1.237 900 H ASN 28 H ASN 28 -6.663 1.398 -4.190 901 HA ASN 28 HA ASN 28 -9.592 1.605 -4.253 902 HB2 ASN 28 2HB ASN 28 -9.520 2.059 -6.755 903 HB3 ASN 28 1HB ASN 28 -8.981 3.405 -5.755 904 HD21 ASN 28 1HD2 ASN 28 -6.718 3.835 -5.618 905 HD22 ASN 28 2HD2 ASN 28 -5.648 3.334 -6.869 906 H ARG 29 H ARG 29 -10.557 -0.062 -5.559 907 HA ARG 29 HA ARG 29 -9.024 -2.569 -5.409 908 HB2 ARG 29 2HB ARG 29 -11.104 -2.355 -3.986 909 HB3 ARG 29 1HB ARG 29 -12.057 -2.140 -5.440 910 HG2 ARG 29 2HG ARG 29 -11.672 -4.396 -6.136 911 HG3 ARG 29 1HG ARG 29 -10.387 -4.617 -4.945 912 HD2 ARG 29 2HD ARG 29 -12.497 -5.739 -4.278 913 HD3 ARG 29 1HD ARG 29 -11.978 -4.521 -3.121 914 HE ARG 29 HE ARG 29 -13.693 -3.036 -3.998 915 HH11 ARG 29 1HH1 ARG 29 -14.090 -6.454 -4.804 916 HH12 ARG 29 2HH1 ARG 29 -15.796 -6.299 -5.083 917 HH21 ARG 29 1HH2 ARG 29 -15.901 -2.864 -4.346 918 HH22 ARG 29 2HH2 ARG 29 -16.817 -4.256 -4.819 919 H VAL 30 H VAL 30 -8.498 -3.454 -7.306 920 HA VAL 30 HA VAL 30 -9.727 -2.546 -9.847 921 HB VAL 30 HB VAL 30 -6.769 -3.166 -9.315 922 HG11 VAL 30 1HG1 VAL 30 -6.329 -2.334 -11.603 923 HG12 VAL 30 2HG1 VAL 30 -8.065 -2.137 -11.865 924 HG13 VAL 30 3HG1 VAL 30 -7.386 -3.748 -11.623 925 HG21 VAL 30 3HG2 VAL 30 -6.341 -0.755 -9.678 926 HG22 VAL 30 1HG2 VAL 30 -7.397 -1.025 -8.288 927 HG23 VAL 30 2HG2 VAL 30 -8.078 -0.469 -9.819 928 H SER 31 H SER 31 -9.797 -4.154 -11.507 929 HA SER 31 HA SER 31 -9.326 -6.971 -10.718 930 HB2 SER 31 2HB SER 31 -11.747 -6.492 -11.079 931 HB3 SER 31 1HB SER 31 -11.391 -5.896 -12.696 932 HG SER 31 HG SER 31 -11.743 -8.436 -11.842 933 H TRP 32 H TRP 32 -7.977 -8.100 -12.018 934 HA TRP 32 HA TRP 32 -6.704 -6.711 -14.298 935 HB2 TRP 32 2HB TRP 32 -5.624 -8.895 -12.456 936 HB3 TRP 32 1HB TRP 32 -4.738 -8.172 -13.796 937 HD1 TRP 32 HD1 TRP 32 -5.721 -7.494 -10.152 938 HE1 TRP 32 HE1 TRP 32 -4.466 -5.385 -9.342 939 HE3 TRP 32 HE3 TRP 32 -3.860 -5.833 -14.638 940 HZ2 TRP 32 HZ2 TRP 32 -2.960 -3.292 -10.438 941 HZ3 TRP 32 HZ3 TRP 32 -2.525 -3.763 -14.660 942 HH2 TRP 32 HH2 TRP 32 -2.083 -2.516 -12.602 943 H ASN 33 H ASN 33 -7.446 -7.427 -16.200 944 HA ASN 33 HA ASN 33 -8.226 -8.695 -17.934 945 HB2 ASN 33 2HB ASN 33 -6.622 -10.815 -16.453 946 HB3 ASN 33 1HB ASN 33 -7.484 -11.213 -17.931 947 HD21 ASN 33 1HD2 ASN 33 -4.564 -11.114 -17.264 948 HD22 ASN 33 2HD2 ASN 33 -3.872 -10.145 -18.519 949 H ASP 34 H ASP 34 -10.062 -8.187 -15.879 950 HA ASP 34 HA ASP 34 -11.974 -8.779 -14.826 951 HB2 ASP 34 2HB ASP 34 -12.682 -8.997 -17.216 952 HB3 ASP 34 1HB ASP 34 -12.218 -10.694 -17.204 953 H ALA 35 H ALA 35 -9.747 -9.950 -13.670 954 HA ALA 35 HA ALA 35 -10.461 -12.694 -12.886 955 HB1 ALA 35 3HB ALA 35 -8.357 -12.609 -11.588 956 HB2 ALA 35 1HB ALA 35 -8.157 -10.905 -12.010 957 HB3 ALA 35 2HB ALA 35 -8.091 -12.139 -13.267 958 H GLU 36 H GLU 36 -9.933 -12.890 -10.306 959 HA GLU 36 HA GLU 36 -11.879 -11.750 -8.713 960 HB2 GLU 36 2HB GLU 36 -10.350 -12.244 -6.749 961 HB3 GLU 36 1HB GLU 36 -10.628 -13.597 -7.839 962 HG2 GLU 36 2HG GLU 36 -8.423 -13.302 -8.856 963 HG3 GLU 36 1HG GLU 36 -8.138 -11.852 -7.893 964 HA PRO 37 HA PRO 37 -10.468 -7.367 -8.570 965 HB2 PRO 37 2HB PRO 37 -12.695 -7.091 -6.574 966 HB3 PRO 37 1HB PRO 37 -12.430 -6.210 -8.095 967 HG2 PRO 37 2HG PRO 37 -14.381 -8.036 -7.876 968 HG3 PRO 37 1HG PRO 37 -13.475 -7.812 -9.389 969 HD2 PRO 37 2HD PRO 37 -13.156 -9.968 -7.304 970 HD3 PRO 37 1HD PRO 37 -13.116 -10.100 -9.078 971 H LYS 38 H LYS 38 -8.999 -6.472 -7.154 972 HA LYS 38 HA LYS 38 -8.893 -7.301 -4.370 973 HB2 LYS 38 2HB LYS 38 -6.534 -7.993 -4.513 974 HB3 LYS 38 1HB LYS 38 -7.574 -9.040 -5.465 975 HG2 LYS 38 2HG LYS 38 -6.823 -7.885 -7.534 976 HG3 LYS 38 1HG LYS 38 -5.768 -6.853 -6.559 977 HD2 LYS 38 2HD LYS 38 -4.514 -8.750 -7.572 978 HD3 LYS 38 1HD LYS 38 -4.485 -8.809 -5.807 979 HE2 LYS 38 2HE LYS 38 -6.405 -10.466 -5.928 980 HE3 LYS 38 1HE LYS 38 -6.183 -10.495 -7.678 981 HZ1 LYS 38 3HZ LYS 38 -5.074 -12.315 -6.514 982 HZ2 LYS 38 1HZ LYS 38 -4.094 -11.206 -5.696 983 HZ3 LYS 38 2HZ LYS 38 -3.985 -11.352 -7.380 984 H TYR 39 H TYR 39 -6.984 -6.176 -3.339 985 HA TYR 39 HA TYR 39 -7.656 -3.390 -3.719 986 HB2 TYR 39 2HB TYR 39 -6.111 -4.805 -1.498 987 HB3 TYR 39 1HB TYR 39 -6.762 -3.161 -1.437 988 HD1 TYR 39 HD2 TYR 39 -9.191 -2.789 -1.285 989 HD2 TYR 39 HD1 TYR 39 -7.654 -6.760 -1.286 990 HE1 TYR 39 HE2 TYR 39 -11.388 -3.629 -0.579 991 HE2 TYR 39 HE1 TYR 39 -9.840 -7.597 -0.579 992 HH TYR 39 HH TYR 39 -11.854 -6.857 0.476 993 H ASP 40 H ASP 40 -6.355 -1.942 -4.459 994 HA ASP 40 HA ASP 40 -3.463 -2.487 -4.881 995 HB2 ASP 40 2HB ASP 40 -4.968 -2.492 -7.031 996 HB3 ASP 40 1HB ASP 40 -5.067 -0.751 -6.813 997 H ILE 41 H ILE 41 -2.128 -0.846 -4.359 998 HA ILE 41 HA ILE 41 -3.256 1.700 -3.392 999 HB ILE 41 HB ILE 41 -3.049 0.447 -1.337 1000 HG12 ILE 41 2HG1 ILE 41 -0.673 2.351 -1.566 1001 HG13 ILE 41 1HG1 ILE 41 -2.342 2.827 -1.268 1002 HG21 ILE 41 1HG2 ILE 41 -0.180 -0.218 -2.041 1003 HG22 ILE 41 2HG2 ILE 41 -1.539 -1.342 -2.049 1004 HG23 ILE 41 3HG2 ILE 41 -0.998 -0.626 -0.530 1005 HD11 ILE 41 3HD1 ILE 41 -2.279 1.607 0.873 1006 HD12 ILE 41 1HD1 ILE 41 -1.076 2.892 0.768 1007 HD13 ILE 41 2HD1 ILE 41 -0.582 1.212 0.574 1008 H ARG 42 H ARG 42 -2.414 3.078 -4.665 1009 HA ARG 42 HA ARG 42 0.354 3.202 -5.491 1010 HB2 ARG 42 2HB ARG 42 0.247 2.501 -7.762 1011 HB3 ARG 42 1HB ARG 42 -0.579 1.233 -6.865 1012 HG2 ARG 42 2HG ARG 42 -2.769 2.281 -7.534 1013 HG3 ARG 42 1HG ARG 42 -1.862 3.421 -8.534 1014 HD2 ARG 42 2HD ARG 42 -2.122 0.426 -8.863 1015 HD3 ARG 42 1HD ARG 42 -2.590 1.689 -9.995 1016 HE ARG 42 HE ARG 42 0.023 2.093 -9.927 1017 HH11 ARG 42 1HH1 ARG 42 -1.711 -0.967 -10.122 1018 HH12 ARG 42 2HH1 ARG 42 -0.437 -1.763 -10.996 1019 HH21 ARG 42 1HH2 ARG 42 1.692 1.026 -11.056 1020 HH22 ARG 42 2HH2 ARG 42 1.488 -0.633 -11.525 1021 H THR 43 H THR 43 0.554 4.821 -7.507 1022 HA THR 43 HA THR 43 -1.303 7.027 -7.015 1023 HB THR 43 HB THR 43 1.300 7.162 -8.603 1024 HG1 THR 43 HG1 THR 43 1.026 6.667 -5.952 1025 HG21 THR 43 3HG2 THR 43 -0.239 9.110 -8.759 1026 HG22 THR 43 1HG2 THR 43 1.245 9.535 -7.899 1027 HG23 THR 43 2HG2 THR 43 -0.247 9.245 -6.997 1028 H TRP 44 H TRP 44 -2.804 7.387 -8.485 1029 HA TRP 44 HA TRP 44 -2.529 6.445 -11.285 1030 HB2 TRP 44 2HB TRP 44 -5.030 7.006 -9.620 1031 HB3 TRP 44 1HB TRP 44 -5.061 6.728 -11.355 1032 HD1 TRP 44 HD1 TRP 44 -5.018 4.893 -8.057 1033 HE1 TRP 44 HE1 TRP 44 -5.287 2.374 -8.517 1034 HE3 TRP 44 HE3 TRP 44 -4.270 4.877 -13.116 1035 HZ2 TRP 44 HZ2 TRP 44 -5.166 0.611 -10.693 1036 HZ3 TRP 44 HZ3 TRP 44 -4.359 2.727 -14.312 1037 HH2 TRP 44 HH2 TRP 44 -4.798 0.633 -13.123 1038 H SER 45 H SER 45 -3.311 7.902 -12.898 1039 HA SER 45 HA SER 45 -3.135 10.728 -12.440 1040 HB2 SER 45 2HB SER 45 -3.943 10.895 -14.802 1041 HB3 SER 45 1HB SER 45 -2.602 9.765 -14.642 1042 HG SER 45 HG SER 45 -4.575 9.148 -15.921 1043 HA PRO 46 HA PRO 46 -7.491 11.745 -11.379 1044 HB2 PRO 46 2HB PRO 46 -7.901 13.696 -13.461 1045 HB3 PRO 46 1HB PRO 46 -7.433 14.002 -11.778 1046 HG2 PRO 46 2HG PRO 46 -5.716 13.835 -14.207 1047 HG3 PRO 46 1HG PRO 46 -5.513 14.821 -12.743 1048 HD2 PRO 46 2HD PRO 46 -3.981 12.655 -13.169 1049 HD3 PRO 46 1HD PRO 46 -4.536 13.070 -11.532 1050 H ASP 47 H ASP 47 -6.627 11.175 -14.795 1051 HA ASP 47 HA ASP 47 -9.281 10.247 -15.531 1052 HB2 ASP 47 2HB ASP 47 -6.638 10.338 -17.039 1053 HB3 ASP 47 1HB ASP 47 -8.086 9.615 -17.735 1054 H HIS 48 H HIS 48 -6.626 8.747 -13.967 1055 HA HIS 48 HA HIS 48 -6.323 6.704 -13.130 1056 HB2 HIS 48 2HB HIS 48 -9.248 6.399 -13.853 1057 HB3 HIS 48 1HB HIS 48 -8.359 5.146 -12.992 1058 HD1 HIS 48 HD1 HIS 48 -10.414 8.031 -12.380 1059 HD2 HIS 48 HD2 HIS 48 -7.237 6.198 -10.449 1060 HE1 HIS 48 HE1 HIS 48 -10.493 8.851 -10.018 1061 HE2 HIS 48 HE2 HIS 48 -8.743 7.513 -8.812 1062 H GLU 49 H GLU 49 -5.891 7.150 -16.055 1063 HA GLU 49 HA GLU 49 -5.913 4.336 -17.017 1064 HB2 GLU 49 2HB GLU 49 -5.598 5.230 -19.292 1065 HB3 GLU 49 1HB GLU 49 -7.075 5.851 -18.567 1066 HG2 GLU 49 2HG GLU 49 -6.133 8.021 -18.247 1067 HG3 GLU 49 1HG GLU 49 -4.497 7.443 -18.563 1068 H LYS 50 H LYS 50 -3.992 6.654 -15.604 1069 HA LYS 50 HA LYS 50 -1.460 5.540 -16.665 1070 HB2 LYS 50 2HB LYS 50 -1.965 8.292 -15.452 1071 HB3 LYS 50 1HB LYS 50 -0.404 7.688 -15.968 1072 HG2 LYS 50 2HG LYS 50 -2.638 7.930 -17.984 1073 HG3 LYS 50 1HG LYS 50 -1.777 9.374 -17.460 1074 HD2 LYS 50 2HD LYS 50 -0.680 8.667 -19.445 1075 HD3 LYS 50 1HD LYS 50 0.389 8.202 -18.129 1076 HE2 LYS 50 2HE LYS 50 -0.347 5.884 -18.303 1077 HE3 LYS 50 1HE LYS 50 -1.538 6.322 -19.532 1078 HZ1 LYS 50 3HZ LYS 50 0.219 6.932 -21.021 1079 HZ2 LYS 50 1HZ LYS 50 0.487 5.356 -20.477 1080 HZ3 LYS 50 2HZ LYS 50 1.399 6.634 -19.846 1081 H MET 51 H MET 51 -0.194 4.603 -15.147 1082 HA MET 51 HA MET 51 -0.853 4.838 -12.268 1083 HB2 MET 51 2HB MET 51 -0.491 2.375 -12.055 1084 HB3 MET 51 1HB MET 51 -1.886 2.771 -13.042 1085 HG2 MET 51 2HG MET 51 -0.574 2.304 -15.085 1086 HG3 MET 51 1HG MET 51 0.821 1.896 -14.084 1087 HE1 MET 51 3HE MET 51 -0.532 -0.009 -16.371 1088 HE2 MET 51 1HE MET 51 -0.404 -1.567 -15.557 1089 HE3 MET 51 2HE MET 51 0.935 -0.422 -15.482 1090 H GLY 52 H GLY 52 0.937 3.978 -10.890 1091 HA2 GLY 52 2HA GLY 52 3.581 3.716 -12.069 1092 HA3 GLY 52 1HA GLY 52 3.321 5.198 -11.150 1093 H LYS 53 H LYS 53 4.371 4.954 -9.290 1094 HA LYS 53 HA LYS 53 5.278 2.565 -8.167 1095 HB2 LYS 53 2HB LYS 53 4.880 5.247 -6.756 1096 HB3 LYS 53 1HB LYS 53 5.941 3.947 -6.218 1097 HG2 LYS 53 2HG LYS 53 6.264 5.587 -8.761 1098 HG3 LYS 53 1HG LYS 53 7.210 5.769 -7.280 1099 HD2 LYS 53 2HD LYS 53 7.176 3.308 -9.087 1100 HD3 LYS 53 1HD LYS 53 8.458 4.518 -9.014 1101 HE2 LYS 53 2HE LYS 53 8.968 3.892 -6.703 1102 HE3 LYS 53 1HE LYS 53 7.620 2.752 -6.685 1103 HZ1 LYS 53 3HZ LYS 53 8.740 1.501 -8.447 1104 HZ2 LYS 53 1HZ LYS 53 9.681 1.600 -7.045 1105 HZ3 LYS 53 2HZ LYS 53 10.050 2.565 -8.381 1106 H GLY 54 H GLY 54 4.026 0.947 -7.258 1107 HA2 GLY 54 2HA GLY 54 2.611 1.277 -4.896 1108 HA3 GLY 54 1HA GLY 54 1.448 1.302 -6.210 1109 H ILE 55 H ILE 55 0.777 -0.654 -4.869 1110 HA ILE 55 HA ILE 55 2.021 -3.122 -5.865 1111 HB ILE 55 HB ILE 55 3.383 -2.630 -3.889 1112 HG12 ILE 55 2HG1 ILE 55 1.456 -4.932 -3.325 1113 HG13 ILE 55 1HG1 ILE 55 2.910 -5.010 -4.312 1114 HG21 ILE 55 1HG2 ILE 55 1.823 -1.173 -2.677 1115 HG22 ILE 55 2HG2 ILE 55 2.481 -2.422 -1.621 1116 HG23 ILE 55 3HG2 ILE 55 0.835 -2.572 -2.243 1117 HD11 ILE 55 3HD1 ILE 55 2.782 -4.558 -1.334 1118 HD12 ILE 55 1HD1 ILE 55 4.257 -4.516 -2.307 1119 HD13 ILE 55 2HD1 ILE 55 3.326 -6.004 -2.182 1120 H THR 56 H THR 56 0.731 -4.961 -5.637 1121 HA THR 56 HA THR 56 -2.152 -4.515 -5.210 1122 HB THR 56 HB THR 56 -2.294 -6.886 -6.329 1123 HG1 THR 56 HG1 THR 56 -0.085 -7.401 -6.192 1124 HG21 THR 56 3HG2 THR 56 -1.357 -4.522 -7.996 1125 HG22 THR 56 1HG2 THR 56 -3.021 -4.839 -7.489 1126 HG23 THR 56 2HG2 THR 56 -2.212 -5.942 -8.604 1127 H LEU 57 H LEU 57 -3.295 -5.760 -3.862 1128 HA LEU 57 HA LEU 57 -2.052 -7.658 -1.990 1129 HB2 LEU 57 2HB LEU 57 -4.023 -5.426 -1.251 1130 HB3 LEU 57 1HB LEU 57 -3.330 -6.600 -0.140 1131 HG LEU 57 HG LEU 57 -1.782 -4.389 -1.560 1132 HD11 LEU 57 1HD1 LEU 57 -2.679 -4.554 1.338 1133 HD12 LEU 57 2HD1 LEU 57 -3.304 -3.451 0.106 1134 HD13 LEU 57 3HD1 LEU 57 -1.632 -3.309 0.645 1135 HD21 LEU 57 3HD2 LEU 57 -0.354 -6.315 -1.151 1136 HD22 LEU 57 1HD2 LEU 57 -0.858 -6.378 0.542 1137 HD23 LEU 57 2HD2 LEU 57 0.080 -5.005 -0.057 1138 H SER 58 H SER 58 -3.381 -9.440 -1.751 1139 HA SER 58 HA SER 58 -5.971 -9.510 -3.165 1140 HB2 SER 58 2HB SER 58 -4.541 -11.777 -1.707 1141 HB3 SER 58 1HB SER 58 -5.893 -11.923 -2.840 1142 HG SER 58 HG SER 58 -3.212 -11.170 -3.358 1143 H GLU 59 H GLU 59 -7.738 -10.863 -1.793 1144 HA GLU 59 HA GLU 59 -8.500 -9.167 0.315 1145 HB2 GLU 59 2HB GLU 59 -9.571 -11.896 -0.496 1146 HB3 GLU 59 1HB GLU 59 -10.315 -10.887 0.747 1147 HG2 GLU 59 2HG GLU 59 -10.613 -9.079 -0.944 1148 HG3 GLU 59 1HG GLU 59 -9.949 -10.150 -2.177 1149 H GLU 60 H GLU 60 -6.723 -12.269 0.387 1150 HA GLU 60 HA GLU 60 -6.646 -12.730 3.148 1151 HB2 GLU 60 2HB GLU 60 -4.437 -13.230 1.110 1152 HB3 GLU 60 1HB GLU 60 -4.430 -13.849 2.759 1153 HG2 GLU 60 2HG GLU 60 -6.525 -15.107 2.226 1154 HG3 GLU 60 1HG GLU 60 -6.369 -14.576 0.550 1155 H GLU 61 H GLU 61 -4.214 -10.985 1.180 1156 HA GLU 61 HA GLU 61 -2.504 -10.174 3.225 1157 HB2 GLU 61 2HB GLU 61 -3.008 -8.899 0.499 1158 HB3 GLU 61 1HB GLU 61 -1.714 -8.391 1.576 1159 HG2 GLU 61 2HG GLU 61 -0.559 -9.796 0.194 1160 HG3 GLU 61 1HG GLU 61 -0.998 -10.908 1.478 1161 H PHE 62 H PHE 62 -5.020 -8.297 1.597 1162 HA PHE 62 HA PHE 62 -4.762 -5.951 3.138 1163 HB2 PHE 62 2HB PHE 62 -5.710 -6.070 0.830 1164 HB3 PHE 62 1HB PHE 62 -7.123 -6.897 1.474 1165 HD1 PHE 62 HD2 PHE 62 -5.207 -3.704 1.612 1166 HD2 PHE 62 HD1 PHE 62 -8.950 -5.634 2.389 1167 HE1 PHE 62 HE2 PHE 62 -6.262 -1.524 2.020 1168 HE2 PHE 62 HE1 PHE 62 -9.984 -3.450 2.791 1169 HZ PHE 62 HZ PHE 62 -8.647 -1.402 2.604 1170 H GLY 63 H GLY 63 -6.843 -8.860 3.480 1171 HA2 GLY 63 2HA GLY 63 -8.440 -7.990 5.608 1172 HA3 GLY 63 1HA GLY 63 -7.968 -9.651 5.293 1173 H VAL 64 H VAL 64 -5.246 -9.577 5.640 1174 HA VAL 64 HA VAL 64 -4.812 -9.672 8.418 1175 HB VAL 64 HB VAL 64 -2.755 -9.443 6.166 1176 HG11 VAL 64 1HG1 VAL 64 -1.092 -10.359 7.753 1177 HG12 VAL 64 2HG1 VAL 64 -2.295 -10.296 9.047 1178 HG13 VAL 64 3HG1 VAL 64 -1.718 -8.802 8.299 1179 HG21 VAL 64 3HG2 VAL 64 -3.760 -11.928 7.599 1180 HG22 VAL 64 1HG2 VAL 64 -2.514 -11.888 6.347 1181 HG23 VAL 64 2HG2 VAL 64 -4.176 -11.450 5.954 1182 H LEU 65 H LEU 65 -4.237 -7.131 5.971 1183 HA LEU 65 HA LEU 65 -2.870 -5.246 7.538 1184 HB2 LEU 65 2HB LEU 65 -3.197 -5.182 5.031 1185 HB3 LEU 65 1HB LEU 65 -4.858 -4.693 5.300 1186 HG LEU 65 HG LEU 65 -3.944 -2.617 6.501 1187 HD11 LEU 65 1HD1 LEU 65 -1.648 -1.931 6.037 1188 HD12 LEU 65 2HD1 LEU 65 -1.317 -3.494 5.281 1189 HD13 LEU 65 3HD1 LEU 65 -1.703 -3.404 7.002 1190 HD21 LEU 65 3HD2 LEU 65 -4.836 -2.503 4.218 1191 HD22 LEU 65 1HD2 LEU 65 -3.251 -2.921 3.560 1192 HD23 LEU 65 2HD2 LEU 65 -3.480 -1.398 4.426 1193 H LEU 66 H LEU 66 -6.419 -5.571 6.887 1194 HA LEU 66 HA LEU 66 -7.358 -3.411 8.378 1195 HB2 LEU 66 2HB LEU 66 -8.684 -6.067 7.719 1196 HB3 LEU 66 1HB LEU 66 -9.548 -4.682 8.378 1197 HG LEU 66 HG LEU 66 -8.109 -4.708 5.696 1198 HD11 LEU 66 1HD1 LEU 66 -10.042 -6.193 5.645 1199 HD12 LEU 66 2HD1 LEU 66 -10.324 -4.753 4.669 1200 HD13 LEU 66 3HD1 LEU 66 -11.078 -4.901 6.261 1201 HD21 LEU 66 3HD2 LEU 66 -9.910 -2.605 6.938 1202 HD22 LEU 66 1HD2 LEU 66 -9.261 -2.574 5.293 1203 HD23 LEU 66 2HD2 LEU 66 -8.169 -2.474 6.670 1204 H LYS 67 H LYS 67 -6.844 -6.791 9.353 1205 HA LYS 67 HA LYS 67 -7.948 -6.654 11.976 1206 HB2 LYS 67 2HB LYS 67 -5.972 -8.545 10.647 1207 HB3 LYS 67 1HB LYS 67 -6.594 -8.817 12.272 1208 HG2 LYS 67 2HG LYS 67 -8.742 -9.344 11.525 1209 HG3 LYS 67 1HG LYS 67 -8.570 -8.422 10.032 1210 HD2 LYS 67 2HD LYS 67 -8.640 -10.892 9.665 1211 HD3 LYS 67 1HD LYS 67 -7.178 -10.131 9.042 1212 HE2 LYS 67 2HE LYS 67 -5.903 -10.945 10.966 1213 HE3 LYS 67 1HE LYS 67 -7.370 -11.640 11.670 1214 HZ1 LYS 67 3HZ LYS 67 -7.538 -13.069 9.694 1215 HZ2 LYS 67 1HZ LYS 67 -6.114 -13.340 10.565 1216 HZ3 LYS 67 2HZ LYS 67 -6.070 -12.456 9.125 1217 H GLU 68 H GLU 68 -4.564 -6.602 10.833 1218 HA GLU 68 HA GLU 68 -3.445 -6.158 13.426 1219 HB2 GLU 68 2HB GLU 68 -2.202 -5.947 10.662 1220 HB3 GLU 68 1HB GLU 68 -1.296 -5.807 12.166 1221 HG2 GLU 68 2HG GLU 68 -2.802 -8.255 11.192 1222 HG3 GLU 68 1HG GLU 68 -1.054 -8.035 11.197 1223 H LEU 69 H LEU 69 -4.696 -4.017 10.965 1224 HA LEU 69 HA LEU 69 -3.552 -1.614 12.137 1225 HB2 LEU 69 2HB LEU 69 -5.733 -1.964 10.041 1226 HB3 LEU 69 1HB LEU 69 -5.252 -0.395 10.667 1227 HG LEU 69 HG LEU 69 -3.542 -2.295 9.013 1228 HD11 LEU 69 1HD1 LEU 69 -3.567 -0.507 7.347 1229 HD12 LEU 69 2HD1 LEU 69 -4.628 0.459 8.378 1230 HD13 LEU 69 3HD1 LEU 69 -5.193 -1.077 7.712 1231 HD21 LEU 69 3HD2 LEU 69 -2.117 -1.192 10.669 1232 HD22 LEU 69 1HD2 LEU 69 -2.727 0.388 10.164 1233 HD23 LEU 69 2HD2 LEU 69 -1.790 -0.609 9.040 1234 H GLY 70 H GLY 70 -6.555 -3.484 12.361 1235 HA2 GLY 70 2HA GLY 70 -8.033 -1.898 14.135 1236 HA3 GLY 70 1HA GLY 70 -8.038 -3.658 14.102 1237 H ASN 71 H ASN 71 -5.329 -4.070 14.678 1238 HA ASN 71 HA ASN 71 -5.133 -3.772 17.533 1239 HB2 ASN 71 2HB ASN 71 -2.910 -4.481 15.561 1240 HB3 ASN 71 1HB ASN 71 -2.825 -4.668 17.308 1241 HD21 ASN 71 1HD2 ASN 71 -2.416 -6.694 15.388 1242 HD22 ASN 71 2HD2 ASN 71 -3.610 -7.912 15.650 1243 H LYS 72 H LYS 72 -3.173 -2.375 14.915 1244 HA LYS 72 HA LYS 72 -1.730 -0.378 16.038 1245 HB2 LYS 72 2HB LYS 72 -3.303 -0.060 13.450 1246 HB3 LYS 72 1HB LYS 72 -2.009 1.020 13.951 1247 HG2 LYS 72 2HG LYS 72 -1.600 -1.949 13.501 1248 HG3 LYS 72 1HG LYS 72 -1.412 -0.747 12.227 1249 HD2 LYS 72 2HD LYS 72 0.377 0.334 13.501 1250 HD3 LYS 72 1HD LYS 72 0.168 -0.831 14.810 1251 HE2 LYS 72 2HE LYS 72 1.002 -1.534 11.970 1252 HE3 LYS 72 1HE LYS 72 2.103 -1.382 13.339 1253 HZ1 LYS 72 3HZ LYS 72 0.979 -3.220 14.414 1254 HZ2 LYS 72 1HZ LYS 72 1.527 -3.690 12.886 1255 HZ3 LYS 72 2HZ LYS 72 -0.116 -3.360 13.137 1256 H LEU 73 H LEU 73 -5.194 0.045 15.210 1257 HA LEU 73 HA LEU 73 -5.399 2.765 15.929 1258 HB2 LEU 73 2HB LEU 73 -7.525 0.612 15.655 1259 HB3 LEU 73 1HB LEU 73 -7.913 2.301 15.955 1260 HG LEU 73 HG LEU 73 -6.542 1.173 13.483 1261 HD11 LEU 73 1HD1 LEU 73 -8.507 1.952 12.258 1262 HD12 LEU 73 2HD1 LEU 73 -9.253 2.494 13.764 1263 HD13 LEU 73 3HD1 LEU 73 -8.953 0.774 13.494 1264 HD21 LEU 73 3HD2 LEU 73 -5.538 3.311 13.988 1265 HD22 LEU 73 1HD2 LEU 73 -7.124 4.062 14.171 1266 HD23 LEU 73 2HD2 LEU 73 -6.599 3.470 12.596 1267 H GLU 74 H GLU 74 -5.111 0.063 17.951 1268 HA GLU 74 HA GLU 74 -6.114 1.486 20.330 1269 HB2 GLU 74 2HB GLU 74 -5.156 -1.399 20.025 1270 HB3 GLU 74 1HB GLU 74 -5.931 -0.699 21.450 1271 HG2 GLU 74 2HG GLU 74 -8.025 -0.455 20.280 1272 HG3 GLU 74 1HG GLU 74 -7.289 -0.894 18.741 1273 H HIS 75 H HIS 75 -3.188 -0.367 19.262 1274 HA HIS 75 HA HIS 75 -1.826 0.432 21.727 1275 HB2 HIS 75 2HB HIS 75 -1.987 -1.987 20.935 1276 HB3 HIS 75 1HB HIS 75 -0.868 -1.574 19.646 1277 HD1 HIS 75 HD1 HIS 75 -1.053 -2.284 23.299 1278 HD2 HIS 75 HD2 HIS 75 1.842 -1.196 20.518 1279 HE1 HIS 75 HE1 HIS 75 1.152 -2.658 24.432 1280 HE2 HIS 75 HE2 HIS 75 2.868 -2.221 22.649 1281 H HIS 76 H HIS 76 -1.658 1.259 18.341 1282 HA HIS 76 HA HIS 76 1.094 2.017 18.194 1283 HB2 HIS 76 2HB HIS 76 -0.043 1.543 16.125 1284 HB3 HIS 76 1HB HIS 76 -1.297 2.721 16.457 1285 HD1 HIS 76 HD1 HIS 76 -0.864 5.139 15.820 1286 HD2 HIS 76 HD2 HIS 76 2.395 2.660 15.125 1287 HE1 HIS 76 HE1 HIS 76 0.695 6.464 14.375 1288 HE2 HIS 76 HE2 HIS 76 2.724 5.004 14.103 1289 H HIS 77 H HIS 77 1.623 3.295 19.928 1290 HA HIS 77 HA HIS 77 0.406 5.982 20.195 1291 HB2 HIS 77 2HB HIS 77 2.321 4.542 22.094 1292 HB3 HIS 77 1HB HIS 77 1.540 6.090 22.392 1293 HD1 HIS 77 HD1 HIS 77 1.120 2.513 22.933 1294 HD2 HIS 77 HD2 HIS 77 -1.402 5.811 22.668 1295 HE1 HIS 77 HE1 HIS 77 -1.047 1.801 23.996 1296 HE2 HIS 77 HE2 HIS 77 -2.548 3.810 23.829 1297 H HIS 78 H HIS 78 1.730 7.822 20.133 1298 HA HIS 78 HA HIS 78 4.495 7.673 19.231 1299 HB2 HIS 78 2HB HIS 78 4.045 8.916 17.107 1300 HB3 HIS 78 1HB HIS 78 3.289 7.331 17.101 1301 HD1 HIS 78 HD1 HIS 78 2.559 10.572 16.010 1302 HD2 HIS 78 HD2 HIS 78 0.353 7.747 18.117 1303 HE1 HIS 78 HE1 HIS 78 0.160 11.222 15.703 1304 HE2 HIS 78 HE2 HIS 78 -1.122 9.642 17.178 1305 H HIS 79 H HIS 79 5.586 9.656 19.472 1306 HA HIS 79 HA HIS 79 4.467 11.492 21.384 1307 HB2 HIS 79 2HB HIS 79 7.137 11.464 19.920 1308 HB3 HIS 79 1HB HIS 79 6.695 12.732 21.057 1309 HD1 HIS 79 HD1 HIS 79 8.680 12.038 22.593 1310 HD2 HIS 79 HD2 HIS 79 5.830 9.054 22.063 1311 HE1 HIS 79 HE1 HIS 79 9.184 10.297 24.333 1312 HE2 HIS 79 HE2 HIS 79 7.451 8.503 23.989 1313 H HIS 80 H HIS 80 5.649 11.944 18.012 1314 HA HIS 80 HA HIS 80 3.367 13.752 17.539 1315 HB2 HIS 80 2HB HIS 80 4.626 15.364 16.328 1316 HB3 HIS 80 1HB HIS 80 5.583 15.067 17.764 1317 HD1 HIS 80 HD1 HIS 80 7.876 13.808 17.416 1318 HD2 HIS 80 HD2 HIS 80 5.883 14.799 13.898 1319 HE1 HIS 80 HE1 HIS 80 9.583 13.619 15.584 1320 HE2 HIS 80 HE2 HIS 80 8.396 14.365 13.499 Start of MODEL 8 1 H1 MET 1 1H MET 1 20.165 15.328 -10.736 2 H2 MET 1 2H MET 1 19.654 13.734 -10.967 3 H3 MET 1 3H MET 1 20.744 14.094 -9.731 4 HA MET 1 HA MET 1 19.108 15.367 -8.569 5 HB2 MET 1 2HB MET 1 17.212 14.488 -10.792 6 HB3 MET 1 1HB MET 1 16.763 15.415 -9.366 7 HG2 MET 1 2HG MET 1 18.239 17.258 -10.153 8 HG3 MET 1 1HG MET 1 18.563 16.337 -11.619 9 HE1 MET 1 3HE MET 1 14.915 16.212 -13.204 10 HE2 MET 1 1HE MET 1 15.622 15.014 -12.121 11 HE3 MET 1 2HE MET 1 16.587 15.707 -13.426 12 H ALA 2 H ALA 2 16.780 14.097 -7.803 13 HA ALA 2 HA ALA 2 17.691 11.761 -6.493 14 HB1 ALA 2 3HB ALA 2 15.408 11.590 -5.595 15 HB2 ALA 2 1HB ALA 2 14.825 12.746 -6.796 16 HB3 ALA 2 2HB ALA 2 15.956 13.266 -5.547 17 H ASP 3 H ASP 3 18.429 10.394 -8.123 18 HA ASP 3 HA ASP 3 16.452 9.053 -9.876 19 HB2 ASP 3 2HB ASP 3 18.440 9.920 -11.035 20 HB3 ASP 3 1HB ASP 3 19.505 9.073 -9.919 21 H LYS 4 H LYS 4 19.278 8.254 -7.747 22 HA LYS 4 HA LYS 4 18.013 5.700 -7.022 23 HB2 LYS 4 2HB LYS 4 20.346 5.564 -7.853 24 HB3 LYS 4 1HB LYS 4 20.866 6.761 -6.675 25 HG2 LYS 4 2HG LYS 4 21.550 4.509 -5.991 26 HG3 LYS 4 1HG LYS 4 20.401 5.189 -4.837 27 HD2 LYS 4 2HD LYS 4 19.934 2.809 -5.278 28 HD3 LYS 4 1HD LYS 4 18.592 3.826 -5.804 29 HE2 LYS 4 2HE LYS 4 19.438 3.681 -8.140 30 HE3 LYS 4 1HE LYS 4 20.728 2.610 -7.589 31 HZ1 LYS 4 3HZ LYS 4 17.830 2.049 -7.313 32 HZ2 LYS 4 1HZ LYS 4 19.096 1.003 -6.906 33 HZ3 LYS 4 2HZ LYS 4 18.822 1.416 -8.527 34 H LEU 5 H LEU 5 17.000 5.657 -5.096 35 HA LEU 5 HA LEU 5 17.462 7.756 -3.087 36 HB2 LEU 5 2HB LEU 5 15.354 5.551 -3.157 37 HB3 LEU 5 1HB LEU 5 15.446 6.844 -1.972 38 HG LEU 5 HG LEU 5 14.784 7.146 -4.927 39 HD11 LEU 5 1HD1 LEU 5 12.565 7.845 -4.158 40 HD12 LEU 5 2HD1 LEU 5 13.044 7.577 -2.480 41 HD13 LEU 5 3HD1 LEU 5 12.947 6.217 -3.599 42 HD21 LEU 5 3HD2 LEU 5 14.398 9.539 -4.476 43 HD22 LEU 5 1HD2 LEU 5 16.084 9.091 -4.223 44 HD23 LEU 5 2HD2 LEU 5 15.020 9.336 -2.836 45 H LYS 6 H LYS 6 17.534 6.997 -0.806 46 HA LYS 6 HA LYS 6 18.962 4.422 -0.413 47 HB2 LYS 6 2HB LYS 6 19.411 7.020 1.151 48 HB3 LYS 6 1HB LYS 6 20.210 5.484 1.452 49 HG2 LYS 6 2HG LYS 6 20.561 7.240 -0.996 50 HG3 LYS 6 1HG LYS 6 21.716 7.035 0.317 51 HD2 LYS 6 2HD LYS 6 20.860 4.900 -1.681 52 HD3 LYS 6 1HD LYS 6 22.412 5.735 -1.648 53 HE2 LYS 6 2HE LYS 6 21.364 3.823 0.470 54 HE3 LYS 6 1HE LYS 6 22.632 3.482 -0.704 55 HZ1 LYS 6 3HZ LYS 6 23.575 4.014 1.424 56 HZ2 LYS 6 1HZ LYS 6 22.758 5.492 1.474 57 HZ3 LYS 6 2HZ LYS 6 23.966 5.234 0.323 58 H PHE 7 H PHE 7 18.300 3.346 1.674 59 HA PHE 7 HA PHE 7 15.824 4.441 2.823 60 HB2 PHE 7 2HB PHE 7 14.700 2.257 2.580 61 HB3 PHE 7 1HB PHE 7 15.137 2.899 1.008 62 HD1 PHE 7 HD1 PHE 7 17.194 1.930 -0.180 63 HD2 PHE 7 HD2 PHE 7 15.417 0.076 3.244 64 HE1 PHE 7 HE1 PHE 7 18.302 -0.204 -0.743 65 HE2 PHE 7 HE2 PHE 7 16.523 -2.048 2.671 66 HZ PHE 7 HZ PHE 7 17.965 -2.189 0.678 67 H GLU 8 H GLU 8 15.712 4.146 5.016 68 HA GLU 8 HA GLU 8 17.479 2.153 6.313 69 HB2 GLU 8 2HB GLU 8 18.274 4.475 6.792 70 HB3 GLU 8 1HB GLU 8 16.664 4.924 7.341 71 HG2 GLU 8 2HG GLU 8 16.853 3.268 9.187 72 HG3 GLU 8 1HG GLU 8 18.486 2.880 8.657 73 H ILE 9 H ILE 9 16.159 0.577 7.216 74 HA ILE 9 HA ILE 9 13.303 1.032 7.358 75 HB ILE 9 HB ILE 9 14.938 -1.418 8.187 76 HG12 ILE 9 2HG1 ILE 9 13.339 -0.874 5.631 77 HG13 ILE 9 1HG1 ILE 9 15.094 -0.894 5.745 78 HG21 ILE 9 1HG2 ILE 9 12.752 -1.338 9.359 79 HG22 ILE 9 2HG2 ILE 9 12.781 -2.644 8.177 80 HG23 ILE 9 3HG2 ILE 9 11.921 -1.148 7.812 81 HD11 ILE 9 3HD1 ILE 9 14.271 -2.915 4.740 82 HD12 ILE 9 1HD1 ILE 9 13.258 -3.251 6.143 83 HD13 ILE 9 2HD1 ILE 9 15.018 -3.282 6.293 84 H ILE 10 H ILE 10 12.612 2.211 8.921 85 HA ILE 10 HA ILE 10 13.971 2.702 11.419 86 HB ILE 10 HB ILE 10 11.253 3.633 10.371 87 HG12 ILE 10 2HG1 ILE 10 13.117 4.446 8.975 88 HG13 ILE 10 1HG1 ILE 10 12.388 5.776 9.863 89 HG21 ILE 10 1HG2 ILE 10 12.799 4.658 12.783 90 HG22 ILE 10 2HG2 ILE 10 11.273 3.770 12.814 91 HG23 ILE 10 3HG2 ILE 10 11.337 5.389 12.118 92 HD11 ILE 10 3HD1 ILE 10 14.265 5.690 11.471 93 HD12 ILE 10 1HD1 ILE 10 14.783 6.012 9.817 94 HD13 ILE 10 2HD1 ILE 10 14.999 4.406 10.507 95 H GLU 11 H GLU 11 11.052 1.006 10.262 96 HA GLU 11 HA GLU 11 10.905 -0.604 12.671 97 HB2 GLU 11 2HB GLU 11 9.849 1.551 13.364 98 HB3 GLU 11 1HB GLU 11 8.679 1.403 12.062 99 HG2 GLU 11 2HG GLU 11 7.615 -0.476 13.117 100 HG3 GLU 11 1HG GLU 11 8.918 -0.640 14.297 101 H GLU 12 H GLU 12 9.601 -2.411 12.403 102 HA GLU 12 HA GLU 12 8.262 -2.867 9.784 103 HB2 GLU 12 2HB GLU 12 9.070 -4.900 11.924 104 HB3 GLU 12 1HB GLU 12 8.435 -5.264 10.319 105 HG2 GLU 12 2HG GLU 12 10.447 -4.460 9.255 106 HG3 GLU 12 1HG GLU 12 11.055 -3.814 10.778 107 H LEU 13 H LEU 13 6.021 -3.247 9.780 108 HA LEU 13 HA LEU 13 4.683 -2.916 12.446 109 HB2 LEU 13 2HB LEU 13 3.545 -2.230 9.701 110 HB3 LEU 13 1HB LEU 13 2.756 -1.964 11.248 111 HG LEU 13 HG LEU 13 5.241 -0.542 10.228 112 HD11 LEU 13 1HD1 LEU 13 2.435 0.490 10.742 113 HD12 LEU 13 2HD1 LEU 13 3.196 0.245 9.168 114 HD13 LEU 13 3HD1 LEU 13 3.825 1.471 10.263 115 HD21 LEU 13 3HD2 LEU 13 5.142 0.809 12.291 116 HD22 LEU 13 1HD2 LEU 13 5.459 -0.891 12.632 117 HD23 LEU 13 2HD2 LEU 13 3.850 -0.223 12.905 118 H ILE 14 H ILE 14 4.084 -4.418 9.261 119 HA ILE 14 HA ILE 14 2.611 -6.649 10.483 120 HB ILE 14 HB ILE 14 1.331 -4.947 8.262 121 HG12 ILE 14 2HG1 ILE 14 0.480 -4.900 11.202 122 HG13 ILE 14 1HG1 ILE 14 1.413 -3.625 10.430 123 HG21 ILE 14 1HG2 ILE 14 0.158 -7.127 10.041 124 HG22 ILE 14 2HG2 ILE 14 0.629 -7.320 8.349 125 HG23 ILE 14 3HG2 ILE 14 -0.705 -6.249 8.775 126 HD11 ILE 14 3HD1 ILE 14 -1.389 -4.459 9.679 127 HD12 ILE 14 1HD1 ILE 14 -0.447 -3.179 8.908 128 HD13 ILE 14 2HD1 ILE 14 -0.926 -3.028 10.597 129 H VAL 15 H VAL 15 3.318 -8.476 9.392 130 HA VAL 15 HA VAL 15 4.085 -8.282 6.549 131 HB VAL 15 HB VAL 15 4.131 -10.678 8.461 132 HG11 VAL 15 1HG1 VAL 15 3.657 -11.462 6.168 133 HG12 VAL 15 2HG1 VAL 15 5.279 -11.933 6.666 134 HG13 VAL 15 3HG1 VAL 15 5.060 -10.579 5.554 135 HG21 VAL 15 3HG2 VAL 15 6.415 -9.060 7.250 136 HG22 VAL 15 1HG2 VAL 15 6.598 -10.490 8.272 137 HG23 VAL 15 2HG2 VAL 15 5.886 -9.020 8.935 138 H LEU 16 H LEU 16 2.543 -8.473 5.074 139 HA LEU 16 HA LEU 16 -0.184 -9.212 5.858 140 HB2 LEU 16 2HB LEU 16 0.881 -7.967 3.284 141 HB3 LEU 16 1HB LEU 16 -0.814 -8.252 3.639 142 HG LEU 16 HG LEU 16 0.996 -6.366 5.194 143 HD11 LEU 16 1HD1 LEU 16 -0.321 -4.543 4.191 144 HD12 LEU 16 2HD1 LEU 16 -1.211 -5.713 3.211 145 HD13 LEU 16 3HD1 LEU 16 0.520 -5.485 2.959 146 HD21 LEU 16 3HD2 LEU 16 -1.979 -6.874 5.465 147 HD22 LEU 16 1HD2 LEU 16 -1.048 -5.654 6.337 148 HD23 LEU 16 2HD2 LEU 16 -0.726 -7.363 6.608 149 H SER 17 H SER 17 2.509 -10.462 4.066 150 HA SER 17 HA SER 17 1.402 -13.030 3.696 151 HB2 SER 17 2HB SER 17 0.151 -11.794 1.869 152 HB3 SER 17 1HB SER 17 1.697 -11.449 1.095 153 HG SER 17 HG SER 17 0.184 -13.708 1.054 154 H GLU 18 H GLU 18 2.928 -14.478 2.685 155 HA GLU 18 HA GLU 18 5.715 -13.501 2.423 156 HB2 GLU 18 2HB GLU 18 5.476 -14.252 4.743 157 HB3 GLU 18 1HB GLU 18 4.771 -15.779 4.227 158 HG2 GLU 18 2HG GLU 18 6.882 -16.485 3.254 159 HG3 GLU 18 1HG GLU 18 7.606 -14.911 3.575 160 H ASN 19 H ASN 19 6.950 -14.631 0.923 161 HA ASN 19 HA ASN 19 5.333 -16.257 -0.982 162 HB2 ASN 19 2HB ASN 19 6.640 -14.183 -1.688 163 HB3 ASN 19 1HB ASN 19 8.115 -15.063 -1.360 164 HD21 ASN 19 1HD2 ASN 19 5.468 -14.676 -3.566 165 HD22 ASN 19 2HD2 ASN 19 6.157 -15.614 -4.836 166 H ALA 20 H ALA 20 6.452 -18.122 -2.124 167 HA ALA 20 HA ALA 20 7.656 -20.034 -0.361 168 HB1 ALA 20 3HB ALA 20 6.234 -20.686 -2.262 169 HB2 ALA 20 1HB ALA 20 7.813 -21.464 -2.369 170 HB3 ALA 20 2HB ALA 20 7.436 -20.073 -3.394 171 H LYS 21 H LYS 21 8.933 -17.476 -2.149 172 HA LYS 21 HA LYS 21 11.744 -18.385 -2.033 173 HB2 LYS 21 2HB LYS 21 10.562 -15.806 -3.187 174 HB3 LYS 21 1HB LYS 21 12.247 -16.293 -3.266 175 HG2 LYS 21 2HG LYS 21 9.902 -17.546 -4.702 176 HG3 LYS 21 1HG LYS 21 11.274 -16.685 -5.408 177 HD2 LYS 21 2HD LYS 21 12.758 -18.534 -4.433 178 HD3 LYS 21 1HD LYS 21 11.268 -19.422 -4.103 179 HE2 LYS 21 2HE LYS 21 12.291 -18.543 -6.820 180 HE3 LYS 21 1HE LYS 21 12.258 -20.187 -6.190 181 HZ1 LYS 21 3HZ LYS 21 9.847 -20.073 -6.141 182 HZ2 LYS 21 1HZ LYS 21 10.442 -19.806 -7.700 183 HZ3 LYS 21 2HZ LYS 21 9.889 -18.507 -6.772 184 H GLY 22 H GLY 22 9.374 -16.707 -0.335 185 HA2 GLY 22 2HA GLY 22 9.747 -16.155 1.968 186 HA3 GLY 22 1HA GLY 22 11.282 -15.422 1.513 187 H TRP 23 H TRP 23 9.925 -14.299 -0.983 188 HA TRP 23 HA TRP 23 10.041 -11.701 -0.187 189 HB2 TRP 23 2HB TRP 23 8.678 -12.956 -2.582 190 HB3 TRP 23 1HB TRP 23 8.613 -11.212 -2.345 191 HD1 TRP 23 HD1 TRP 23 11.319 -13.991 -2.687 192 HE1 TRP 23 HE1 TRP 23 13.374 -12.959 -3.817 193 HE3 TRP 23 HE3 TRP 23 9.712 -9.133 -3.051 194 HZ2 TRP 23 HZ2 TRP 23 14.217 -10.432 -4.740 195 HZ3 TRP 23 HZ3 TRP 23 11.210 -7.472 -4.084 196 HH2 TRP 23 HH2 TRP 23 13.430 -8.112 -4.910 197 H ARG 24 H ARG 24 8.886 -10.542 1.201 198 HA ARG 24 HA ARG 24 6.204 -11.469 1.950 199 HB2 ARG 24 2HB ARG 24 8.261 -9.764 3.399 200 HB3 ARG 24 1HB ARG 24 6.630 -10.039 3.998 201 HG2 ARG 24 2HG ARG 24 7.080 -12.458 4.136 202 HG3 ARG 24 1HG ARG 24 8.716 -12.191 3.530 203 HD2 ARG 24 2HD ARG 24 9.266 -10.864 5.506 204 HD3 ARG 24 1HD ARG 24 7.604 -11.006 6.094 205 HE ARG 24 HE ARG 24 8.541 -13.592 5.769 206 HH11 ARG 24 1HH1 ARG 24 9.422 -10.821 7.762 207 HH12 ARG 24 2HH1 ARG 24 10.034 -11.799 9.055 208 HH21 ARG 24 1HH2 ARG 24 9.307 -14.857 7.473 209 HH22 ARG 24 2HH2 ARG 24 9.971 -14.103 8.891 210 H LYS 25 H LYS 25 4.537 -10.353 1.209 211 HA LYS 25 HA LYS 25 4.722 -7.559 0.380 212 HB2 LYS 25 2HB LYS 25 2.361 -9.499 0.611 213 HB3 LYS 25 1HB LYS 25 2.181 -7.814 0.124 214 HG2 LYS 25 2HG LYS 25 3.689 -8.234 -1.810 215 HG3 LYS 25 1HG LYS 25 3.786 -9.930 -1.347 216 HD2 LYS 25 2HD LYS 25 1.192 -8.513 -2.071 217 HD3 LYS 25 1HD LYS 25 2.161 -9.440 -3.216 218 HE2 LYS 25 2HE LYS 25 1.847 -11.469 -1.833 219 HE3 LYS 25 1HE LYS 25 0.854 -10.540 -0.703 220 HZ1 LYS 25 3HZ LYS 25 -0.496 -11.784 -2.270 221 HZ2 LYS 25 1HZ LYS 25 0.239 -10.997 -3.571 222 HZ3 LYS 25 2HZ LYS 25 -0.722 -10.126 -2.490 223 H GLU 26 H GLU 26 5.094 -6.235 2.058 224 HA GLU 26 HA GLU 26 3.646 -6.625 4.621 225 HB2 GLU 26 2HB GLU 26 5.787 -6.287 5.837 226 HB3 GLU 26 1HB GLU 26 5.841 -7.710 4.799 227 HG2 GLU 26 2HG GLU 26 7.092 -6.405 3.091 228 HG3 GLU 26 1HG GLU 26 7.069 -5.007 4.163 229 H LEU 27 H LEU 27 3.485 -4.873 5.950 230 HA LEU 27 HA LEU 27 4.008 -2.173 4.921 231 HB2 LEU 27 2HB LEU 27 1.674 -2.681 5.551 232 HB3 LEU 27 1HB LEU 27 2.195 -3.212 7.142 233 HG LEU 27 HG LEU 27 2.946 -0.859 7.632 234 HD11 LEU 27 1HD1 LEU 27 3.304 -0.024 5.366 235 HD12 LEU 27 2HD1 LEU 27 2.159 1.000 6.226 236 HD13 LEU 27 3HD1 LEU 27 1.578 -0.149 5.018 237 HD21 LEU 27 3HD2 LEU 27 0.707 0.018 8.050 238 HD22 LEU 27 1HD2 LEU 27 0.777 -1.705 8.410 239 HD23 LEU 27 2HD2 LEU 27 0.013 -1.146 6.920 240 H ASN 28 H ASN 28 5.837 -1.376 5.641 241 HA ASN 28 HA ASN 28 6.720 -1.686 8.440 242 HB2 ASN 28 2HB ASN 28 9.037 -1.916 7.723 243 HB3 ASN 28 1HB ASN 28 8.081 -3.135 6.884 244 HD21 ASN 28 1HD2 ASN 28 7.560 -2.736 4.614 245 HD22 ASN 28 2HD2 ASN 28 8.580 -1.707 3.674 246 H ARG 29 H ARG 29 8.935 0.150 8.130 247 HA ARG 29 HA ARG 29 7.796 2.695 7.283 248 HB2 ARG 29 2HB ARG 29 8.696 2.145 10.157 249 HB3 ARG 29 1HB ARG 29 8.490 3.765 9.489 250 HG2 ARG 29 2HG ARG 29 6.091 3.329 9.139 251 HG3 ARG 29 1HG ARG 29 6.288 1.695 9.780 252 HD2 ARG 29 2HD ARG 29 5.356 3.128 11.495 253 HD3 ARG 29 1HD ARG 29 6.997 2.668 11.958 254 HE ARG 29 HE ARG 29 6.761 5.207 10.566 255 HH11 ARG 29 1HH1 ARG 29 6.846 3.639 13.713 256 HH12 ARG 29 2HH1 ARG 29 7.295 5.088 14.558 257 HH21 ARG 29 1HH2 ARG 29 7.344 7.119 11.686 258 HH22 ARG 29 2HH2 ARG 29 7.580 7.071 13.403 259 H VAL 30 H VAL 30 9.358 3.849 6.338 260 HA VAL 30 HA VAL 30 12.215 3.158 6.723 261 HB VAL 30 HB VAL 30 10.732 3.533 4.064 262 HG11 VAL 30 1HG1 VAL 30 12.898 3.165 2.924 263 HG12 VAL 30 2HG1 VAL 30 13.727 3.227 4.483 264 HG13 VAL 30 3HG1 VAL 30 12.888 4.654 3.871 265 HG21 VAL 30 3HG2 VAL 30 11.497 1.243 3.534 266 HG22 VAL 30 1HG2 VAL 30 10.501 1.267 4.991 267 HG23 VAL 30 2HG2 VAL 30 12.254 1.119 5.124 268 H SER 31 H SER 31 13.654 4.819 6.469 269 HA SER 31 HA SER 31 12.717 7.610 6.141 270 HB2 SER 31 2HB SER 31 13.946 7.313 8.231 271 HB3 SER 31 1HB SER 31 15.246 6.448 7.407 272 HG SER 31 HG SER 31 14.771 9.155 7.618 273 H TRP 32 H TRP 32 13.158 8.448 4.128 274 HA TRP 32 HA TRP 32 14.961 6.947 2.330 275 HB2 TRP 32 2HB TRP 32 12.646 8.840 1.729 276 HB3 TRP 32 1HB TRP 32 13.707 8.167 0.494 277 HD1 TRP 32 HD1 TRP 32 10.681 7.285 2.632 278 HE1 TRP 32 HE1 TRP 32 9.777 4.993 1.866 279 HE3 TRP 32 HE3 TRP 32 14.574 5.766 -0.365 280 HZ2 TRP 32 HZ2 TRP 32 10.601 2.827 0.293 281 HZ3 TRP 32 HZ3 TRP 32 14.417 3.575 -1.461 282 HH2 TRP 32 HH2 TRP 32 12.475 2.128 -1.138 283 H ASN 33 H ASN 33 16.874 7.799 2.043 284 HA ASN 33 HA ASN 33 18.674 9.181 1.910 285 HB2 ASN 33 2HB ASN 33 16.563 11.158 0.925 286 HB3 ASN 33 1HB ASN 33 18.293 11.477 0.863 287 HD21 ASN 33 1HD2 ASN 33 16.258 11.206 -1.284 288 HD22 ASN 33 2HD2 ASN 33 16.924 10.033 -2.362 289 H ASP 34 H ASP 34 17.531 8.881 4.439 290 HA ASP 34 HA ASP 34 17.401 9.630 6.549 291 HB2 ASP 34 2HB ASP 34 19.501 11.601 5.556 292 HB3 ASP 34 1HB ASP 34 19.085 11.382 7.252 293 H ALA 35 H ALA 35 15.434 10.716 4.714 294 HA ALA 35 HA ALA 35 14.827 13.369 5.863 295 HB1 ALA 35 3HB ALA 35 13.056 13.482 4.139 296 HB2 ALA 35 1HB ALA 35 13.477 11.854 3.595 297 HB3 ALA 35 2HB ALA 35 14.638 13.172 3.421 298 H GLU 36 H GLU 36 12.206 13.458 5.978 299 HA GLU 36 HA GLU 36 11.410 12.491 8.389 300 HB2 GLU 36 2HB GLU 36 9.543 13.020 6.049 301 HB3 GLU 36 1HB GLU 36 9.103 13.074 7.749 302 HG2 GLU 36 2HG GLU 36 11.029 14.950 6.350 303 HG3 GLU 36 1HG GLU 36 9.372 15.324 6.815 304 HA PRO 37 HA PRO 37 11.021 7.997 7.569 305 HB2 PRO 37 2HB PRO 37 10.300 7.321 10.178 306 HB3 PRO 37 1HB PRO 37 11.968 7.554 9.633 307 HG2 PRO 37 2HG PRO 37 10.173 9.481 11.065 308 HG3 PRO 37 1HG PRO 37 11.897 9.134 11.336 309 HD2 PRO 37 2HD PRO 37 11.124 11.320 9.981 310 HD3 PRO 37 1HD PRO 37 12.585 10.423 9.520 311 H LYS 38 H LYS 38 9.271 6.906 6.816 312 HA LYS 38 HA LYS 38 6.564 7.786 7.524 313 HB2 LYS 38 2HB LYS 38 5.958 7.939 5.126 314 HB3 LYS 38 1HB LYS 38 7.155 9.146 5.574 315 HG2 LYS 38 2HG LYS 38 8.904 7.997 4.409 316 HG3 LYS 38 1HG LYS 38 7.924 6.536 4.231 317 HD2 LYS 38 2HD LYS 38 8.111 7.897 2.113 318 HD3 LYS 38 1HD LYS 38 6.450 7.624 2.644 319 HE2 LYS 38 2HE LYS 38 6.456 9.899 3.682 320 HE3 LYS 38 1HE LYS 38 8.071 10.162 3.023 321 HZ1 LYS 38 3HZ LYS 38 6.187 11.088 1.711 322 HZ2 LYS 38 1HZ LYS 38 5.727 9.511 1.338 323 HZ3 LYS 38 2HZ LYS 38 7.234 10.092 0.838 324 H TYR 39 H TYR 39 5.009 6.333 6.226 325 HA TYR 39 HA TYR 39 5.661 3.598 6.879 326 HB2 TYR 39 2HB TYR 39 3.139 4.827 5.676 327 HB3 TYR 39 1HB TYR 39 3.281 3.177 6.299 328 HD1 TYR 39 HD1 TYR 39 3.082 6.755 7.233 329 HD2 TYR 39 HD2 TYR 39 3.449 2.772 8.728 330 HE1 TYR 39 HE1 TYR 39 2.624 7.563 9.499 331 HE2 TYR 39 HE2 TYR 39 2.986 3.583 10.995 332 HH TYR 39 HH TYR 39 1.728 6.605 11.660 333 H ASP 40 H ASP 40 5.946 1.969 5.501 334 HA ASP 40 HA ASP 40 6.025 2.453 2.567 335 HB2 ASP 40 2HB ASP 40 8.300 2.386 3.734 336 HB3 ASP 40 1HB ASP 40 7.950 0.729 4.208 337 H ILE 41 H ILE 41 5.060 0.862 1.338 338 HA ILE 41 HA ILE 41 4.437 -1.735 2.553 339 HB ILE 41 HB ILE 41 2.390 -0.545 3.004 340 HG12 ILE 41 2HG1 ILE 41 1.950 -2.321 0.560 341 HG13 ILE 41 1HG1 ILE 41 2.157 -2.897 2.209 342 HG21 ILE 41 1HG2 ILE 41 1.002 0.582 1.310 343 HG22 ILE 41 2HG2 ILE 41 2.239 0.272 0.092 344 HG23 ILE 41 3HG2 ILE 41 2.595 1.336 1.450 345 HD11 ILE 41 3HD1 ILE 41 -0.147 -1.250 1.162 346 HD12 ILE 41 1HD1 ILE 41 0.062 -1.761 2.841 347 HD13 ILE 41 2HD1 ILE 41 -0.161 -2.965 1.573 348 H ARG 42 H ARG 42 5.181 -3.171 1.294 349 HA ARG 42 HA ARG 42 5.290 -3.076 -1.621 350 HB2 ARG 42 2HB ARG 42 7.038 -1.377 -0.943 351 HB3 ARG 42 1HB ARG 42 7.900 -2.638 -0.074 352 HG2 ARG 42 2HG ARG 42 8.381 -3.807 -2.168 353 HG3 ARG 42 1HG ARG 42 7.406 -2.653 -3.076 354 HD2 ARG 42 2HD ARG 42 9.964 -2.004 -1.567 355 HD3 ARG 42 1HD ARG 42 9.812 -2.205 -3.313 356 HE ARG 42 HE ARG 42 8.408 -0.213 -3.363 357 HH11 ARG 42 1HH1 ARG 42 10.275 -0.716 -0.449 358 HH12 ARG 42 2HH1 ARG 42 10.229 0.953 0.030 359 HH21 ARG 42 1HH2 ARG 42 8.281 1.977 -2.682 360 HH22 ARG 42 2HH2 ARG 42 9.108 2.471 -1.234 361 H THR 43 H THR 43 6.714 -4.987 -2.492 362 HA THR 43 HA THR 43 6.624 -7.230 -0.610 363 HB THR 43 HB THR 43 7.246 -7.346 -3.603 364 HG1 THR 43 HG1 THR 43 4.821 -6.886 -2.371 365 HG21 THR 43 3HG2 THR 43 6.476 -9.692 -3.371 366 HG22 THR 43 1HG2 THR 43 6.168 -9.427 -1.650 367 HG23 THR 43 2HG2 THR 43 7.818 -9.360 -2.275 368 H TRP 44 H TRP 44 8.516 -7.586 0.357 369 HA TRP 44 HA TRP 44 11.054 -6.543 -0.776 370 HB2 TRP 44 2HB TRP 44 10.183 -6.966 2.123 371 HB3 TRP 44 1HB TRP 44 11.845 -6.639 1.652 372 HD1 TRP 44 HD1 TRP 44 8.433 -4.884 1.976 373 HE1 TRP 44 HE1 TRP 44 8.869 -2.357 2.106 374 HE3 TRP 44 HE3 TRP 44 13.411 -4.855 0.828 375 HZ2 TRP 44 HZ2 TRP 44 11.014 -0.568 1.694 376 HZ3 TRP 44 HZ3 TRP 44 14.585 -2.697 0.708 377 HH2 TRP 44 HH2 TRP 44 13.412 -0.591 1.132 378 H SER 45 H SER 45 12.881 -7.877 -0.419 379 HA SER 45 HA SER 45 12.552 -10.699 -0.589 380 HB2 SER 45 2HB SER 45 15.042 -10.727 -0.299 381 HB3 SER 45 1HB SER 45 14.530 -9.545 -1.490 382 HG SER 45 HG SER 45 14.541 -8.080 0.484 383 HA PRO 46 HA PRO 46 12.089 -11.987 3.738 384 HB2 PRO 46 2HB PRO 46 14.011 -14.061 3.862 385 HB3 PRO 46 1HB PRO 46 12.344 -14.233 3.289 386 HG2 PRO 46 2HG PRO 46 14.843 -13.821 1.688 387 HG3 PRO 46 1HG PRO 46 13.459 -14.896 1.366 388 HD2 PRO 46 2HD PRO 46 13.688 -12.601 0.037 389 HD3 PRO 46 1HD PRO 46 12.093 -13.131 0.618 390 H ASP 47 H ASP 47 15.293 -11.102 2.538 391 HA ASP 47 HA ASP 47 16.295 -10.542 5.272 392 HB2 ASP 47 2HB ASP 47 17.705 -11.946 3.810 393 HB3 ASP 47 1HB ASP 47 17.752 -10.681 2.593 394 H HIS 48 H HIS 48 14.728 -8.941 2.795 395 HA HIS 48 HA HIS 48 14.172 -6.809 2.331 396 HB2 HIS 48 2HB HIS 48 15.598 -6.148 4.932 397 HB3 HIS 48 1HB HIS 48 14.679 -4.974 3.997 398 HD1 HIS 48 HD1 HIS 48 13.929 -5.582 6.885 399 HD2 HIS 48 HD2 HIS 48 12.231 -7.468 3.606 400 HE1 HIS 48 HE1 HIS 48 11.665 -6.351 7.636 401 HE2 HIS 48 HE2 HIS 48 10.614 -7.292 5.582 402 H GLU 49 H GLU 49 16.916 -8.004 1.674 403 HA GLU 49 HA GLU 49 18.705 -5.788 1.257 404 HB2 GLU 49 2HB GLU 49 20.019 -7.487 -0.065 405 HB3 GLU 49 1HB GLU 49 19.622 -8.018 1.567 406 HG2 GLU 49 2HG GLU 49 17.749 -9.372 0.661 407 HG3 GLU 49 1HG GLU 49 18.195 -8.878 -0.968 408 H LYS 50 H LYS 50 16.103 -7.269 -0.465 409 HA LYS 50 HA LYS 50 16.503 -5.563 -2.833 410 HB2 LYS 50 2HB LYS 50 15.414 -8.417 -2.944 411 HB3 LYS 50 1HB LYS 50 15.709 -7.336 -4.299 412 HG2 LYS 50 2HG LYS 50 18.201 -7.418 -3.591 413 HG3 LYS 50 1HG LYS 50 17.723 -8.787 -2.587 414 HD2 LYS 50 2HD LYS 50 18.466 -9.810 -4.581 415 HD3 LYS 50 1HD LYS 50 16.714 -9.794 -4.753 416 HE2 LYS 50 2HE LYS 50 16.853 -7.819 -6.199 417 HE3 LYS 50 1HE LYS 50 18.603 -7.765 -5.991 418 HZ1 LYS 50 3HZ LYS 50 18.774 -9.901 -7.093 419 HZ2 LYS 50 1HZ LYS 50 17.968 -8.794 -8.084 420 HZ3 LYS 50 2HZ LYS 50 17.092 -9.987 -7.268 421 H MET 51 H MET 51 14.363 -5.619 -4.152 422 HA MET 51 HA MET 51 11.975 -5.268 -2.515 423 HB2 MET 51 2HB MET 51 11.823 -2.812 -2.894 424 HB3 MET 51 1HB MET 51 13.241 -3.211 -1.937 425 HG2 MET 51 2HG MET 51 14.679 -2.928 -3.905 426 HG3 MET 51 1HG MET 51 13.270 -2.617 -4.914 427 HE1 MET 51 3HE MET 51 14.168 -1.289 -1.261 428 HE2 MET 51 1HE MET 51 14.829 0.295 -1.664 429 HE3 MET 51 2HE MET 51 15.689 -1.167 -2.149 430 H GLY 52 H GLY 52 10.158 -4.341 -3.889 431 HA2 GLY 52 2HA GLY 52 10.575 -4.315 -6.788 432 HA3 GLY 52 1HA GLY 52 9.568 -5.612 -6.151 433 H LYS 53 H LYS 53 7.550 -5.085 -6.757 434 HA LYS 53 HA LYS 53 6.665 -2.411 -7.158 435 HB2 LYS 53 2HB LYS 53 5.067 -5.005 -7.092 436 HB3 LYS 53 1HB LYS 53 4.466 -3.459 -7.685 437 HG2 LYS 53 2HG LYS 53 6.775 -5.033 -8.876 438 HG3 LYS 53 1HG LYS 53 5.143 -4.923 -9.543 439 HD2 LYS 53 2HD LYS 53 5.422 -2.550 -10.001 440 HD3 LYS 53 1HD LYS 53 6.966 -2.515 -9.145 441 HE2 LYS 53 2HE LYS 53 7.311 -2.511 -11.570 442 HE3 LYS 53 1HE LYS 53 7.953 -3.990 -10.856 443 HZ1 LYS 53 3HZ LYS 53 5.895 -5.112 -11.550 444 HZ2 LYS 53 1HZ LYS 53 6.770 -4.494 -12.856 445 HZ3 LYS 53 2HZ LYS 53 5.388 -3.695 -12.311 446 H GLY 54 H GLY 54 5.879 -1.007 -5.722 447 HA2 GLY 54 2HA GLY 54 4.039 -1.567 -3.671 448 HA3 GLY 54 1HA GLY 54 5.656 -1.435 -2.980 449 H ILE 55 H ILE 55 4.184 0.385 -2.008 450 HA ILE 55 HA ILE 55 4.812 2.903 -3.370 451 HB ILE 55 HB ILE 55 2.469 2.491 -3.995 452 HG12 ILE 55 2HG1 ILE 55 2.721 4.656 -1.856 453 HG13 ILE 55 1HG1 ILE 55 3.063 4.837 -3.569 454 HG21 ILE 55 1HG2 ILE 55 0.652 2.236 -2.351 455 HG22 ILE 55 2HG2 ILE 55 1.830 2.246 -1.038 456 HG23 ILE 55 3HG2 ILE 55 1.831 0.928 -2.209 457 HD11 ILE 55 3HD1 ILE 55 0.973 5.888 -2.962 458 HD12 ILE 55 1HD1 ILE 55 0.346 4.357 -2.349 459 HD13 ILE 55 2HD1 ILE 55 0.689 4.549 -4.072 460 H THR 56 H THR 56 5.107 4.605 -1.968 461 HA THR 56 HA THR 56 5.474 4.041 0.899 462 HB THR 56 HB THR 56 6.561 6.437 0.760 463 HG1 THR 56 HG1 THR 56 6.007 7.115 -1.251 464 HG21 THR 56 3HG2 THR 56 7.850 4.361 1.115 465 HG22 THR 56 1HG2 THR 56 8.712 5.488 0.064 466 HG23 THR 56 2HG2 THR 56 7.892 4.090 -0.631 467 H LEU 57 H LEU 57 4.412 5.200 2.455 468 HA LEU 57 HA LEU 57 2.237 7.048 1.708 469 HB2 LEU 57 2HB LEU 57 2.212 4.954 3.931 470 HB3 LEU 57 1HB LEU 57 0.921 6.094 3.585 471 HG LEU 57 HG LEU 57 1.803 3.805 1.784 472 HD11 LEU 57 1HD1 LEU 57 -0.366 2.796 2.344 473 HD12 LEU 57 2HD1 LEU 57 -0.716 4.126 3.449 474 HD13 LEU 57 3HD1 LEU 57 0.626 3.027 3.783 475 HD21 LEU 57 3HD2 LEU 57 -0.154 4.389 0.384 476 HD22 LEU 57 1HD2 LEU 57 1.044 5.683 0.422 477 HD23 LEU 57 2HD2 LEU 57 -0.433 5.822 1.379 478 H SER 58 H SER 58 2.221 8.897 2.912 479 HA SER 58 HA SER 58 4.242 9.337 5.002 480 HB2 SER 58 2HB SER 58 2.177 11.250 3.809 481 HB3 SER 58 1HB SER 58 3.546 11.696 4.832 482 HG SER 58 HG SER 58 3.507 11.519 2.225 483 H GLU 59 H GLU 59 3.378 10.549 7.036 484 HA GLU 59 HA GLU 59 1.591 8.872 8.424 485 HB2 GLU 59 2HB GLU 59 2.501 11.694 9.112 486 HB3 GLU 59 1HB GLU 59 1.715 10.578 10.230 487 HG2 GLU 59 2HG GLU 59 3.606 9.021 10.053 488 HG3 GLU 59 1HG GLU 59 4.382 10.080 8.874 489 H GLU 60 H GLU 60 1.061 12.009 6.821 490 HA GLU 60 HA GLU 60 -1.574 12.609 7.437 491 HB2 GLU 60 2HB GLU 60 -0.220 12.825 4.704 492 HB3 GLU 60 1HB GLU 60 -1.639 13.730 5.210 493 HG2 GLU 60 2HG GLU 60 -0.349 15.023 6.781 494 HG3 GLU 60 1HG GLU 60 1.062 13.990 6.551 495 H GLU 61 H GLU 61 -0.332 10.630 4.810 496 HA GLU 61 HA GLU 61 -2.771 10.027 3.519 497 HB2 GLU 61 2HB GLU 61 -0.044 8.655 3.373 498 HB3 GLU 61 1HB GLU 61 -1.330 8.508 2.171 499 HG2 GLU 61 2HG GLU 61 -1.115 10.812 1.532 500 HG3 GLU 61 1HG GLU 61 -0.079 11.158 2.914 501 H PHE 62 H PHE 62 -0.592 8.097 5.493 502 HA PHE 62 HA PHE 62 -2.051 5.721 5.640 503 HB2 PHE 62 2HB PHE 62 0.378 5.997 6.176 504 HB3 PHE 62 1HB PHE 62 -0.052 6.856 7.650 505 HD1 PHE 62 HD2 PHE 62 -0.466 3.570 5.903 506 HD2 PHE 62 HD1 PHE 62 -0.415 5.624 9.652 507 HE1 PHE 62 HE2 PHE 62 -0.538 1.423 7.091 508 HE2 PHE 62 HE1 PHE 62 -0.490 3.467 10.830 509 HZ PHE 62 HZ PHE 62 -0.543 1.370 9.551 510 H GLY 63 H GLY 63 -2.099 8.668 7.697 511 HA2 GLY 63 2HA GLY 63 -3.858 7.806 9.689 512 HA3 GLY 63 1HA GLY 63 -3.673 9.464 9.132 513 H VAL 64 H VAL 64 -4.583 9.411 6.558 514 HA VAL 64 HA VAL 64 -7.388 9.419 6.711 515 HB VAL 64 HB VAL 64 -5.737 9.041 4.161 516 HG11 VAL 64 1HG1 VAL 64 -8.110 8.599 3.789 517 HG12 VAL 64 2HG1 VAL 64 -7.653 10.110 3.008 518 HG13 VAL 64 3HG1 VAL 64 -8.550 10.143 4.528 519 HG21 VAL 64 3HG2 VAL 64 -5.745 11.482 3.902 520 HG22 VAL 64 1HG2 VAL 64 -4.958 11.024 5.411 521 HG23 VAL 64 2HG2 VAL 64 -6.600 11.667 5.437 522 H LEU 65 H LEU 65 -5.116 6.920 5.564 523 HA LEU 65 HA LEU 65 -6.875 5.000 4.582 524 HB2 LEU 65 2HB LEU 65 -4.356 5.059 4.355 525 HB3 LEU 65 1HB LEU 65 -4.233 4.517 6.019 526 HG LEU 65 HG LEU 65 -5.544 2.414 5.281 527 HD11 LEU 65 1HD1 LEU 65 -5.486 1.828 2.909 528 HD12 LEU 65 2HD1 LEU 65 -4.833 3.419 2.511 529 HD13 LEU 65 3HD1 LEU 65 -6.457 3.272 3.184 530 HD21 LEU 65 3HD2 LEU 65 -3.133 2.379 5.757 531 HD22 LEU 65 1HD2 LEU 65 -2.781 2.872 4.098 532 HD23 LEU 65 2HD2 LEU 65 -3.528 1.304 4.418 533 H LEU 66 H LEU 66 -5.419 5.252 7.877 534 HA LEU 66 HA LEU 66 -6.599 3.059 9.116 535 HB2 LEU 66 2HB LEU 66 -5.786 5.752 10.297 536 HB3 LEU 66 1HB LEU 66 -6.178 4.337 11.260 537 HG LEU 66 HG LEU 66 -3.862 4.504 9.296 538 HD11 LEU 66 1HD1 LEU 66 -3.810 4.622 12.323 539 HD12 LEU 66 2HD1 LEU 66 -3.463 5.950 11.213 540 HD13 LEU 66 3HD1 LEU 66 -2.399 4.550 11.263 541 HD21 LEU 66 3HD2 LEU 66 -4.680 2.227 9.488 542 HD22 LEU 66 1HD2 LEU 66 -4.604 2.311 11.251 543 HD23 LEU 66 2HD2 LEU 66 -3.123 2.380 10.292 544 H LYS 67 H LYS 67 -7.726 6.420 8.901 545 HA LYS 67 HA LYS 67 -10.027 6.356 10.502 546 HB2 LYS 67 2HB LYS 67 -9.253 8.027 8.082 547 HB3 LYS 67 1HB LYS 67 -10.754 8.312 8.957 548 HG2 LYS 67 2HG LYS 67 -9.637 9.022 10.905 549 HG3 LYS 67 1HG LYS 67 -8.096 8.329 10.387 550 HD2 LYS 67 2HD LYS 67 -8.192 10.847 10.218 551 HD3 LYS 67 1HD LYS 67 -7.805 10.038 8.698 552 HE2 LYS 67 2HE LYS 67 -10.118 10.330 7.929 553 HE3 LYS 67 1HE LYS 67 -10.556 11.074 9.467 554 HZ1 LYS 67 3HZ LYS 67 -9.102 12.898 8.995 555 HZ2 LYS 67 1HZ LYS 67 -10.153 12.689 7.688 556 HZ3 LYS 67 2HZ LYS 67 -8.547 12.173 7.574 557 H GLU 68 H GLU 68 -9.809 6.090 6.953 558 HA GLU 68 HA GLU 68 -12.636 5.672 6.707 559 HB2 GLU 68 2HB GLU 68 -10.460 5.561 4.588 560 HB3 GLU 68 1HB GLU 68 -12.191 5.587 4.277 561 HG2 GLU 68 2HG GLU 68 -10.528 7.796 5.511 562 HG3 GLU 68 1HG GLU 68 -11.283 7.802 3.917 563 H LEU 69 H LEU 69 -9.858 3.553 6.903 564 HA LEU 69 HA LEU 69 -11.188 1.153 6.065 565 HB2 LEU 69 2HB LEU 69 -8.784 1.570 7.898 566 HB3 LEU 69 1HB LEU 69 -9.398 -0.020 7.471 567 HG LEU 69 HG LEU 69 -8.191 2.010 5.554 568 HD11 LEU 69 1HD1 LEU 69 -7.165 -0.696 6.459 569 HD12 LEU 69 2HD1 LEU 69 -6.528 0.876 6.943 570 HD13 LEU 69 3HD1 LEU 69 -6.403 0.358 5.264 571 HD21 LEU 69 3HD2 LEU 69 -8.433 0.328 3.812 572 HD22 LEU 69 1HD2 LEU 69 -10.006 0.802 4.449 573 HD23 LEU 69 2HD2 LEU 69 -9.290 -0.740 4.929 574 H GLY 70 H GLY 70 -10.662 2.795 9.175 575 HA2 GLY 70 2HA GLY 70 -11.964 1.000 10.917 576 HA3 GLY 70 1HA GLY 70 -11.760 2.722 11.188 577 H ASN 71 H ASN 71 -13.210 3.581 8.892 578 HA ASN 71 HA ASN 71 -15.955 3.427 9.685 579 HB2 ASN 71 2HB ASN 71 -14.734 4.349 7.044 580 HB3 ASN 71 1HB ASN 71 -16.431 4.558 7.480 581 HD21 ASN 71 1HD2 ASN 71 -14.496 6.594 6.847 582 HD22 ASN 71 2HD2 ASN 71 -14.397 7.634 8.222 583 H LYS 72 H LYS 72 -14.490 2.308 6.637 584 HA LYS 72 HA LYS 72 -16.245 0.531 5.617 585 HB2 LYS 72 2HB LYS 72 -13.223 0.253 5.690 586 HB3 LYS 72 1HB LYS 72 -14.240 -0.802 4.710 587 HG2 LYS 72 2HG LYS 72 -15.058 1.100 3.438 588 HG3 LYS 72 1HG LYS 72 -14.144 2.212 4.460 589 HD2 LYS 72 2HD LYS 72 -12.027 1.203 3.684 590 HD3 LYS 72 1HD LYS 72 -12.932 0.068 2.676 591 HE2 LYS 72 2HE LYS 72 -12.911 3.084 2.385 592 HE3 LYS 72 1HE LYS 72 -12.081 1.929 1.344 593 HZ1 LYS 72 3HZ LYS 72 -14.123 2.654 0.334 594 HZ2 LYS 72 1HZ LYS 72 -15.018 2.182 1.687 595 HZ3 LYS 72 2HZ LYS 72 -14.257 1.014 0.732 596 H LEU 73 H LEU 73 -14.403 -0.169 8.521 597 HA LEU 73 HA LEU 73 -14.729 -2.958 8.586 598 HB2 LEU 73 2HB LEU 73 -14.381 -0.980 10.869 599 HB3 LEU 73 1HB LEU 73 -14.410 -2.723 11.109 600 HG LEU 73 HG LEU 73 -12.337 -1.132 9.551 601 HD11 LEU 73 1HD1 LEU 73 -12.028 -2.823 12.036 602 HD12 LEU 73 2HD1 LEU 73 -11.996 -1.061 11.961 603 HD13 LEU 73 3HD1 LEU 73 -10.724 -1.999 11.178 604 HD21 LEU 73 3HD2 LEU 73 -12.529 -4.146 9.783 605 HD22 LEU 73 1HD2 LEU 73 -11.186 -3.249 9.073 606 HD23 LEU 73 2HD2 LEU 73 -12.776 -3.194 8.317 607 H GLU 74 H GLU 74 -17.118 -0.547 8.921 608 HA GLU 74 HA GLU 74 -19.068 -1.993 10.454 609 HB2 GLU 74 2HB GLU 74 -20.746 -0.452 9.560 610 HB3 GLU 74 1HB GLU 74 -19.305 0.459 9.992 611 HG2 GLU 74 2HG GLU 74 -18.660 0.648 7.654 612 HG3 GLU 74 1HG GLU 74 -19.970 -0.411 7.161 613 H HIS 75 H HIS 75 -18.230 -1.859 7.028 614 HA HIS 75 HA HIS 75 -20.214 -3.816 6.162 615 HB2 HIS 75 2HB HIS 75 -17.850 -2.642 4.630 616 HB3 HIS 75 1HB HIS 75 -19.180 -3.561 3.935 617 HD1 HIS 75 HD1 HIS 75 -21.622 -2.332 4.204 618 HD2 HIS 75 HD2 HIS 75 -18.251 0.070 4.593 619 HE1 HIS 75 HE1 HIS 75 -22.433 0.024 3.912 620 HE2 HIS 75 HE2 HIS 75 -20.407 1.460 4.272 621 H HIS 76 H HIS 76 -17.214 -3.945 7.667 622 HA HIS 76 HA HIS 76 -16.592 -6.666 6.684 623 HB2 HIS 76 2HB HIS 76 -14.930 -4.743 6.157 624 HB3 HIS 76 1HB HIS 76 -14.574 -4.718 7.880 625 HD1 HIS 76 HD1 HIS 76 -12.820 -6.338 8.661 626 HD2 HIS 76 HD2 HIS 76 -14.261 -7.303 4.890 627 HE1 HIS 76 HE1 HIS 76 -11.392 -8.238 7.868 628 HE2 HIS 76 HE2 HIS 76 -12.187 -8.697 5.528 629 H HIS 77 H HIS 77 -18.436 -5.865 8.876 630 HA HIS 77 HA HIS 77 -17.139 -7.318 11.118 631 HB2 HIS 77 2HB HIS 77 -19.544 -5.452 11.088 632 HB3 HIS 77 1HB HIS 77 -19.249 -6.554 12.430 633 HD1 HIS 77 HD1 HIS 77 -19.140 -3.294 12.385 634 HD2 HIS 77 HD2 HIS 77 -15.936 -5.940 12.592 635 HE1 HIS 77 HE1 HIS 77 -17.251 -1.998 13.423 636 HE2 HIS 77 HE2 HIS 77 -15.357 -3.631 13.601 637 H HIS 78 H HIS 78 -17.346 -9.119 9.537 638 HA HIS 78 HA HIS 78 -19.974 -10.485 9.735 639 HB2 HIS 78 2HB HIS 78 -17.532 -11.176 8.018 640 HB3 HIS 78 1HB HIS 78 -19.060 -12.048 8.021 641 HD1 HIS 78 HD1 HIS 78 -20.280 -11.524 5.918 642 HD2 HIS 78 HD2 HIS 78 -18.242 -8.194 7.344 643 HE1 HIS 78 HE1 HIS 78 -20.786 -9.673 4.300 644 HE2 HIS 78 HE2 HIS 78 -19.762 -7.631 5.337 645 H HIS 79 H HIS 79 -19.856 -11.113 11.858 646 HA HIS 79 HA HIS 79 -17.640 -12.892 12.727 647 HB2 HIS 79 2HB HIS 79 -19.438 -11.080 14.411 648 HB3 HIS 79 1HB HIS 79 -18.178 -12.141 15.044 649 HD1 HIS 79 HD1 HIS 79 -18.546 -8.775 14.809 650 HD2 HIS 79 HD2 HIS 79 -15.672 -11.303 13.186 651 HE1 HIS 79 HE1 HIS 79 -16.546 -7.325 14.347 652 HE2 HIS 79 HE2 HIS 79 -14.765 -8.924 13.588 653 H HIS 80 H HIS 80 -19.574 -13.484 15.165 654 HA HIS 80 HA HIS 80 -21.509 -15.232 14.009 655 HB2 HIS 80 2HB HIS 80 -20.483 -17.410 14.526 656 HB3 HIS 80 1HB HIS 80 -19.495 -16.516 13.370 657 HD1 HIS 80 HD1 HIS 80 -19.366 -18.183 16.652 658 HD2 HIS 80 HD2 HIS 80 -17.035 -15.466 14.525 659 HE1 HIS 80 HE1 HIS 80 -17.130 -18.159 17.797 660 HE2 HIS 80 HE2 HIS 80 -15.737 -16.529 16.499 661 H1 MET 1 1H MET 1 2.431 -16.551 -18.910 662 H2 MET 1 2H MET 1 2.443 -15.805 -20.427 663 H3 MET 1 3H MET 1 1.014 -15.870 -19.534 664 HA MET 1 HA MET 1 1.953 -14.455 -17.843 665 HB2 MET 1 2HB MET 1 4.359 -14.379 -19.715 666 HB3 MET 1 1HB MET 1 4.128 -13.274 -18.368 667 HG2 MET 1 2HG MET 1 4.185 -15.217 -16.819 668 HG3 MET 1 1HG MET 1 4.527 -16.264 -18.199 669 HE1 MET 1 3HE MET 1 5.850 -13.177 -16.083 670 HE2 MET 1 1HE MET 1 5.902 -12.574 -17.742 671 HE3 MET 1 2HE MET 1 7.400 -12.882 -16.865 672 H ALA 2 H ALA 2 1.200 -12.378 -17.973 673 HA ALA 2 HA ALA 2 0.572 -11.188 -20.587 674 HB1 ALA 2 3HB ALA 2 -0.159 -10.331 -17.753 675 HB2 ALA 2 1HB ALA 2 -1.204 -11.192 -18.886 676 HB3 ALA 2 2HB ALA 2 -0.708 -9.535 -19.231 677 H ASP 3 H ASP 3 2.352 -10.227 -21.451 678 HA ASP 3 HA ASP 3 4.550 -9.174 -19.999 679 HB2 ASP 3 2HB ASP 3 4.792 -10.030 -22.301 680 HB3 ASP 3 1HB ASP 3 3.757 -8.743 -22.913 681 H LYS 4 H LYS 4 1.914 -7.590 -21.781 682 HA LYS 4 HA LYS 4 2.176 -5.210 -20.031 683 HB2 LYS 4 2HB LYS 4 0.551 -5.514 -22.606 684 HB3 LYS 4 1HB LYS 4 0.532 -4.097 -21.567 685 HG2 LYS 4 2HG LYS 4 1.976 -3.432 -23.250 686 HG3 LYS 4 1HG LYS 4 3.103 -3.997 -22.023 687 HD2 LYS 4 2HD LYS 4 3.823 -4.819 -24.198 688 HD3 LYS 4 1HD LYS 4 3.272 -6.184 -23.226 689 HE2 LYS 4 2HE LYS 4 1.071 -6.090 -24.440 690 HE3 LYS 4 1HE LYS 4 1.729 -4.810 -25.464 691 HZ1 LYS 4 3HZ LYS 4 1.913 -6.939 -26.558 692 HZ2 LYS 4 1HZ LYS 4 2.764 -7.589 -25.247 693 HZ3 LYS 4 2HZ LYS 4 3.461 -6.364 -26.186 694 H LEU 5 H LEU 5 0.583 -4.833 -18.551 695 HA LEU 5 HA LEU 5 -1.343 -6.988 -18.076 696 HB2 LEU 5 2HB LEU 5 -0.816 -4.493 -16.407 697 HB3 LEU 5 1HB LEU 5 -1.843 -5.847 -15.942 698 HG LEU 5 HG LEU 5 1.186 -5.874 -16.243 699 HD11 LEU 5 1HD1 LEU 5 1.203 -6.354 -13.839 700 HD12 LEU 5 2HD1 LEU 5 -0.561 -6.270 -13.792 701 HD13 LEU 5 3HD1 LEU 5 0.385 -4.827 -14.175 702 HD21 LEU 5 3HD2 LEU 5 1.116 -8.239 -15.497 703 HD22 LEU 5 1HD2 LEU 5 0.355 -8.009 -17.073 704 HD23 LEU 5 2HD2 LEU 5 -0.645 -8.224 -15.636 705 H LYS 6 H LYS 6 -3.555 -6.530 -17.576 706 HA LYS 6 HA LYS 6 -4.754 -4.128 -18.849 707 HB2 LYS 6 2HB LYS 6 -6.037 -6.860 -18.325 708 HB3 LYS 6 1HB LYS 6 -6.827 -5.488 -19.084 709 HG2 LYS 6 2HG LYS 6 -4.461 -6.989 -20.235 710 HG3 LYS 6 1HG LYS 6 -6.139 -7.251 -20.698 711 HD2 LYS 6 2HD LYS 6 -4.626 -4.633 -21.048 712 HD3 LYS 6 1HD LYS 6 -4.877 -5.832 -22.316 713 HE2 LYS 6 2HE LYS 6 -7.308 -5.500 -22.182 714 HE3 LYS 6 1HE LYS 6 -7.094 -4.347 -20.865 715 HZ1 LYS 6 3HZ LYS 6 -5.870 -2.908 -22.366 716 HZ2 LYS 6 1HZ LYS 6 -7.416 -3.223 -22.978 717 HZ3 LYS 6 2HZ LYS 6 -6.069 -4.010 -23.633 718 H PHE 7 H PHE 7 -6.235 -2.946 -17.453 719 HA PHE 7 HA PHE 7 -6.721 -4.007 -14.772 720 HB2 PHE 7 2HB PHE 7 -6.078 -1.713 -13.813 721 HB3 PHE 7 1HB PHE 7 -4.757 -2.753 -14.300 722 HD1 PHE 7 HD1 PHE 7 -3.478 -2.257 -16.418 723 HD2 PHE 7 HD2 PHE 7 -6.377 0.469 -14.843 724 HE1 PHE 7 HE1 PHE 7 -2.515 -0.440 -17.770 725 HE2 PHE 7 HE2 PHE 7 -5.404 2.271 -16.201 726 HZ PHE 7 HZ PHE 7 -3.480 1.821 -17.664 727 H GLU 8 H GLU 8 -8.680 -3.480 -13.997 728 HA GLU 8 HA GLU 8 -10.314 -1.404 -15.319 729 HB2 GLU 8 2HB GLU 8 -10.945 -3.667 -16.148 730 HB3 GLU 8 1HB GLU 8 -11.108 -4.247 -14.496 731 HG2 GLU 8 2HG GLU 8 -13.000 -2.664 -14.160 732 HG3 GLU 8 1HG GLU 8 -12.861 -2.162 -15.843 733 H ILE 9 H ILE 9 -10.881 0.051 -13.715 734 HA ILE 9 HA ILE 9 -10.296 -0.614 -10.944 735 HB ILE 9 HB ILE 9 -11.409 2.001 -12.077 736 HG12 ILE 9 2HG1 ILE 9 -8.545 1.219 -11.332 737 HG13 ILE 9 1HG1 ILE 9 -9.144 1.480 -12.964 738 HG21 ILE 9 1HG2 ILE 9 -11.928 1.727 -9.666 739 HG22 ILE 9 2HG2 ILE 9 -10.728 2.995 -9.902 740 HG23 ILE 9 3HG2 ILE 9 -10.224 1.406 -9.325 741 HD11 ILE 9 3HD1 ILE 9 -7.835 3.353 -12.187 742 HD12 ILE 9 1HD1 ILE 9 -8.916 3.580 -10.813 743 HD13 ILE 9 2HD1 ILE 9 -9.507 3.839 -12.457 744 H ILE 10 H ILE 10 -11.698 -1.609 -9.771 745 HA ILE 10 HA ILE 10 -14.458 -2.030 -10.571 746 HB ILE 10 HB ILE 10 -12.889 -3.205 -8.226 747 HG12 ILE 10 2HG1 ILE 10 -11.783 -3.744 -10.353 748 HG13 ILE 10 1HG1 ILE 10 -12.542 -5.184 -9.700 749 HG21 ILE 10 1HG2 ILE 10 -15.470 -4.182 -9.518 750 HG22 ILE 10 2HG2 ILE 10 -15.322 -3.437 -7.924 751 HG23 ILE 10 3HG2 ILE 10 -14.578 -5.004 -8.234 752 HD11 ILE 10 3HD1 ILE 10 -12.856 -5.095 -12.078 753 HD12 ILE 10 1HD1 ILE 10 -13.564 -3.485 -11.969 754 HD13 ILE 10 2HD1 ILE 10 -14.415 -4.873 -11.290 755 H GLU 11 H GLU 11 -12.627 -0.459 -7.963 756 HA GLU 11 HA GLU 11 -14.897 1.222 -7.277 757 HB2 GLU 11 2HB GLU 11 -15.383 -0.836 -5.944 758 HB3 GLU 11 1HB GLU 11 -13.795 -0.736 -5.200 759 HG2 GLU 11 2HG GLU 11 -15.472 0.059 -3.650 760 HG3 GLU 11 1HG GLU 11 -14.434 1.396 -4.133 761 H GLU 12 H GLU 12 -14.234 3.087 -6.138 762 HA GLU 12 HA GLU 12 -11.341 3.415 -5.541 763 HB2 GLU 12 2HB GLU 12 -13.522 5.568 -5.666 764 HB3 GLU 12 1HB GLU 12 -11.816 5.847 -5.338 765 HG2 GLU 12 2HG GLU 12 -12.026 6.456 -7.584 766 HG3 GLU 12 1HG GLU 12 -11.381 4.820 -7.681 767 H LEU 13 H LEU 13 -10.777 3.108 -3.454 768 HA LEU 13 HA LEU 13 -12.967 2.687 -1.514 769 HB2 LEU 13 2HB LEU 13 -10.016 1.959 -1.298 770 HB3 LEU 13 1HB LEU 13 -11.243 1.575 -0.103 771 HG LEU 13 HG LEU 13 -11.101 0.469 -2.934 772 HD11 LEU 13 1HD1 LEU 13 -10.628 -0.873 -0.255 773 HD12 LEU 13 2HD1 LEU 13 -9.419 -0.506 -1.485 774 HD13 LEU 13 3HD1 LEU 13 -10.672 -1.693 -1.819 775 HD21 LEU 13 3HD2 LEU 13 -13.157 -0.099 -0.774 776 HD22 LEU 13 1HD2 LEU 13 -13.004 -0.975 -2.300 777 HD23 LEU 13 2HD2 LEU 13 -13.439 0.731 -2.305 778 H ILE 14 H ILE 14 -9.722 4.203 -1.431 779 HA ILE 14 HA ILE 14 -10.699 6.394 0.282 780 HB ILE 14 HB ILE 14 -8.154 4.830 1.021 781 HG12 ILE 14 2HG1 ILE 14 -10.857 4.599 2.437 782 HG13 ILE 14 1HG1 ILE 14 -10.153 3.359 1.408 783 HG21 ILE 14 1HG2 ILE 14 -8.283 6.121 3.127 784 HG22 ILE 14 2HG2 ILE 14 -9.757 6.913 2.571 785 HG23 ILE 14 3HG2 ILE 14 -8.230 7.205 1.733 786 HD11 ILE 14 3HD1 ILE 14 -8.309 3.084 2.967 787 HD12 ILE 14 1HD1 ILE 14 -9.867 2.855 3.759 788 HD13 ILE 14 2HD1 ILE 14 -8.973 4.355 3.999 789 H VAL 15 H VAL 15 -9.842 8.286 -0.538 790 HA VAL 15 HA VAL 15 -7.347 8.262 -2.103 791 HB VAL 15 HB VAL 15 -9.223 10.575 -1.399 792 HG11 VAL 15 1HG1 VAL 15 -6.794 10.587 -3.241 793 HG12 VAL 15 2HG1 VAL 15 -6.929 11.409 -1.684 794 HG13 VAL 15 3HG1 VAL 15 -7.938 11.915 -3.036 795 HG21 VAL 15 3HG2 VAL 15 -9.897 10.491 -3.777 796 HG22 VAL 15 1HG2 VAL 15 -10.251 8.973 -2.952 797 HG23 VAL 15 2HG2 VAL 15 -8.858 9.085 -4.032 798 H LEU 16 H LEU 16 -5.457 8.542 -1.112 799 HA LEU 16 HA LEU 16 -5.340 9.209 1.749 800 HB2 LEU 16 2HB LEU 16 -3.140 8.098 -0.044 801 HB3 LEU 16 1HB LEU 16 -3.139 8.159 1.711 802 HG LEU 16 HG LEU 16 -4.958 6.430 -0.009 803 HD11 LEU 16 1HD1 LEU 16 -3.750 4.514 0.933 804 HD12 LEU 16 2HD1 LEU 16 -2.674 5.605 1.810 805 HD13 LEU 16 3HD1 LEU 16 -2.662 5.581 0.046 806 HD21 LEU 16 3HD2 LEU 16 -4.810 6.627 3.008 807 HD22 LEU 16 1HD2 LEU 16 -5.754 5.447 2.094 808 HD23 LEU 16 2HD2 LEU 16 -6.144 7.160 1.979 809 H SER 17 H SER 17 -4.339 10.462 -1.373 810 HA SER 17 HA SER 17 -3.625 13.037 -0.397 811 HB2 SER 17 2HB SER 17 -1.529 11.853 0.278 812 HB3 SER 17 1HB SER 17 -1.280 11.329 -1.386 813 HG SER 17 HG SER 17 -0.946 13.846 -0.215 814 H GLU 18 H GLU 18 -3.010 14.477 -2.140 815 HA GLU 18 HA GLU 18 -3.503 13.564 -4.906 816 HB2 GLU 18 2HB GLU 18 -5.619 14.485 -4.083 817 HB3 GLU 18 1HB GLU 18 -4.817 15.942 -3.506 818 HG2 GLU 18 2HG GLU 18 -4.418 16.726 -5.730 819 HG3 GLU 18 1HG GLU 18 -4.838 15.166 -6.438 820 H ASN 19 H ASN 19 -2.024 14.376 -6.314 821 HA ASN 19 HA ASN 19 0.323 15.573 -4.989 822 HB2 ASN 19 2HB ASN 19 0.358 13.553 -6.566 823 HB3 ASN 19 1HB ASN 19 0.072 14.665 -7.886 824 HD21 ASN 19 1HD2 ASN 19 2.414 13.520 -5.568 825 HD22 ASN 19 2HD2 ASN 19 3.778 14.227 -6.357 826 H ALA 20 H ALA 20 1.683 17.235 -6.220 827 HA ALA 20 HA ALA 20 0.281 19.595 -6.981 828 HB1 ALA 20 3HB ALA 20 2.537 19.621 -5.992 829 HB2 ALA 20 1HB ALA 20 2.508 20.492 -7.525 830 HB3 ALA 20 2HB ALA 20 3.193 18.865 -7.441 831 H LYS 21 H LYS 21 1.197 16.786 -8.737 832 HA LYS 21 HA LYS 21 0.602 17.971 -11.381 833 HB2 LYS 21 2HB LYS 21 1.475 15.089 -10.891 834 HB3 LYS 21 1HB LYS 21 1.597 16.025 -12.372 835 HG2 LYS 21 2HG LYS 21 3.299 16.300 -9.883 836 HG3 LYS 21 1HG LYS 21 3.809 15.721 -11.468 837 HD2 LYS 21 2HD LYS 21 3.547 17.939 -12.424 838 HD3 LYS 21 1HD LYS 21 2.827 18.544 -10.930 839 HE2 LYS 21 2HE LYS 21 4.979 18.130 -9.757 840 HE3 LYS 21 1HE LYS 21 5.692 17.612 -11.286 841 HZ1 LYS 21 3HZ LYS 21 4.552 20.304 -10.755 842 HZ2 LYS 21 1HZ LYS 21 5.300 19.804 -12.186 843 HZ3 LYS 21 2HZ LYS 21 6.200 19.925 -10.762 844 H GLY 22 H GLY 22 -0.924 16.703 -8.804 845 HA2 GLY 22 2HA GLY 22 -3.256 16.490 -8.647 846 HA3 GLY 22 1HA GLY 22 -3.320 15.869 -10.292 847 H TRP 23 H TRP 23 -0.857 14.152 -9.519 848 HA TRP 23 HA TRP 23 -2.248 11.789 -9.689 849 HB2 TRP 23 2HB TRP 23 0.621 12.424 -8.942 850 HB3 TRP 23 1HB TRP 23 0.057 10.756 -8.920 851 HD1 TRP 23 HD1 TRP 23 -0.020 13.696 -11.516 852 HE1 TRP 23 HE1 TRP 23 0.429 12.686 -13.838 853 HE3 TRP 23 HE3 TRP 23 0.436 8.760 -10.208 854 HZ2 TRP 23 HZ2 TRP 23 0.904 10.142 -14.978 855 HZ3 TRP 23 HZ3 TRP 23 0.899 7.104 -11.969 856 HH2 TRP 23 HH2 TRP 23 1.128 7.783 -14.306 857 H ARG 24 H ARG 24 -3.378 10.557 -8.267 858 HA ARG 24 HA ARG 24 -3.327 11.440 -5.465 859 HB2 ARG 24 2HB ARG 24 -5.529 10.239 -7.169 860 HB3 ARG 24 1HB ARG 24 -5.607 10.182 -5.408 861 HG2 ARG 24 2HG ARG 24 -5.339 12.676 -5.376 862 HG3 ARG 24 1HG ARG 24 -5.466 12.677 -7.127 863 HD2 ARG 24 2HD ARG 24 -7.588 11.742 -5.171 864 HD3 ARG 24 1HD ARG 24 -7.603 13.259 -6.064 865 HE ARG 24 HE ARG 24 -8.053 10.561 -7.155 866 HH11 ARG 24 1HH1 ARG 24 -8.071 14.051 -7.673 867 HH12 ARG 24 2HH1 ARG 24 -8.989 13.936 -9.145 868 HH21 ARG 24 1HH2 ARG 24 -9.325 10.445 -9.014 869 HH22 ARG 24 2HH2 ARG 24 -9.697 11.885 -9.906 870 H LYS 25 H LYS 25 -2.370 10.226 -4.080 871 HA LYS 25 HA LYS 25 -1.682 7.428 -4.551 872 HB2 LYS 25 2HB LYS 25 -1.437 9.042 -1.955 873 HB3 LYS 25 1HB LYS 25 -0.585 7.554 -2.370 874 HG2 LYS 25 2HG LYS 25 0.718 8.737 -4.079 875 HG3 LYS 25 1HG LYS 25 -0.192 10.221 -3.765 876 HD2 LYS 25 2HD LYS 25 0.647 10.127 -1.376 877 HD3 LYS 25 1HD LYS 25 1.694 8.792 -1.856 878 HE2 LYS 25 2HE LYS 25 2.871 10.250 -3.416 879 HE3 LYS 25 1HE LYS 25 1.770 11.578 -3.044 880 HZ1 LYS 25 3HZ LYS 25 3.807 11.850 -1.837 881 HZ2 LYS 25 1HZ LYS 25 3.689 10.303 -1.175 882 HZ3 LYS 25 2HZ LYS 25 2.578 11.492 -0.730 883 H GLU 26 H GLU 26 -3.385 6.057 -4.400 884 HA GLU 26 HA GLU 26 -5.310 6.359 -2.185 885 HB2 GLU 26 2HB GLU 26 -7.211 6.083 -3.815 886 HB3 GLU 26 1HB GLU 26 -6.334 7.600 -3.970 887 HG2 GLU 26 2HG GLU 26 -5.132 6.721 -5.936 888 HG3 GLU 26 1HG GLU 26 -5.983 5.186 -5.775 889 H LEU 27 H LEU 27 -6.468 4.647 -1.632 890 HA LEU 27 HA LEU 27 -5.715 1.948 -2.495 891 HB2 LEU 27 2HB LEU 27 -5.847 2.439 -0.066 892 HB3 LEU 27 1HB LEU 27 -7.506 2.984 -0.252 893 HG LEU 27 HG LEU 27 -8.117 0.628 -0.959 894 HD11 LEU 27 1HD1 LEU 27 -5.946 -0.205 -1.665 895 HD12 LEU 27 2HD1 LEU 27 -6.613 -1.227 -0.396 896 HD13 LEU 27 3HD1 LEU 27 -5.327 -0.079 -0.016 897 HD21 LEU 27 3HD2 LEU 27 -6.987 0.923 1.835 898 HD22 LEU 27 1HD2 LEU 27 -8.199 -0.251 1.315 899 HD23 LEU 27 2HD2 LEU 27 -8.576 1.469 1.296 900 H ASN 28 H ASN 28 -6.889 1.117 -4.109 901 HA ASN 28 HA ASN 28 -9.816 1.421 -4.228 902 HB2 ASN 28 2HB ASN 28 -9.590 1.831 -6.753 903 HB3 ASN 28 1HB ASN 28 -9.094 3.173 -5.724 904 HD21 ASN 28 1HD2 ASN 28 -6.840 3.531 -5.411 905 HD22 ASN 28 2HD2 ASN 28 -5.684 3.000 -6.567 906 H ARG 29 H ARG 29 -10.842 -0.263 -5.605 907 HA ARG 29 HA ARG 29 -9.331 -2.791 -5.492 908 HB2 ARG 29 2HB ARG 29 -12.322 -2.237 -5.837 909 HB3 ARG 29 1HB ARG 29 -11.600 -3.836 -5.995 910 HG2 ARG 29 2HG ARG 29 -10.880 -3.807 -3.674 911 HG3 ARG 29 1HG ARG 29 -11.461 -2.149 -3.485 912 HD2 ARG 29 2HD ARG 29 -13.011 -3.877 -2.539 913 HD3 ARG 29 1HD ARG 29 -13.749 -2.835 -3.756 914 HE ARG 29 HE ARG 29 -13.940 -4.628 -5.200 915 HH11 ARG 29 1HH1 ARG 29 -12.176 -5.687 -2.349 916 HH12 ARG 29 2HH1 ARG 29 -12.326 -7.368 -2.739 917 HH21 ARG 29 1HH2 ARG 29 -14.118 -6.829 -5.697 918 HH22 ARG 29 2HH2 ARG 29 -13.424 -8.013 -4.636 919 H VAL 30 H VAL 30 -8.594 -3.653 -7.313 920 HA VAL 30 HA VAL 30 -9.623 -2.760 -9.958 921 HB VAL 30 HB VAL 30 -6.683 -3.295 -9.241 922 HG11 VAL 30 1HG1 VAL 30 -6.145 -2.485 -11.519 923 HG12 VAL 30 2HG1 VAL 30 -7.868 -2.366 -11.887 924 HG13 VAL 30 3HG1 VAL 30 -7.141 -3.941 -11.562 925 HG21 VAL 30 3HG2 VAL 30 -7.437 -1.150 -8.301 926 HG22 VAL 30 1HG2 VAL 30 -8.036 -0.642 -9.882 927 HG23 VAL 30 2HG2 VAL 30 -6.305 -0.879 -9.625 928 H SER 31 H SER 31 -9.680 -4.333 -11.577 929 HA SER 31 HA SER 31 -9.143 -7.154 -10.880 930 HB2 SER 31 2HB SER 31 -11.479 -6.750 -11.596 931 HB3 SER 31 1HB SER 31 -10.919 -5.940 -13.061 932 HG SER 31 HG SER 31 -10.965 -8.664 -12.413 933 H TRP 32 H TRP 32 -7.262 -7.849 -11.721 934 HA TRP 32 HA TRP 32 -5.927 -6.324 -13.865 935 HB2 TRP 32 2HB TRP 32 -4.876 -8.294 -11.777 936 HB3 TRP 32 1HB TRP 32 -3.886 -7.656 -13.087 937 HD1 TRP 32 HD1 TRP 32 -5.137 -6.756 -9.611 938 HE1 TRP 32 HE1 TRP 32 -4.125 -4.472 -8.936 939 HE3 TRP 32 HE3 TRP 32 -3.272 -5.301 -14.155 940 HZ2 TRP 32 HZ2 TRP 32 -2.836 -2.315 -10.182 941 HZ3 TRP 32 HZ3 TRP 32 -2.164 -3.111 -14.326 942 HH2 TRP 32 HH2 TRP 32 -1.951 -1.651 -12.376 943 H ASN 33 H ASN 33 -6.182 -7.124 -15.805 944 HA ASN 33 HA ASN 33 -6.439 -8.447 -17.622 945 HB2 ASN 33 2HB ASN 33 -4.842 -10.387 -15.885 946 HB3 ASN 33 1HB ASN 33 -5.138 -10.624 -17.607 947 HD21 ASN 33 1HD2 ASN 33 -3.485 -8.656 -15.220 948 HD22 ASN 33 2HD2 ASN 33 -2.340 -7.968 -16.309 949 H ASP 34 H ASP 34 -8.643 -8.305 -16.043 950 HA ASP 34 HA ASP 34 -10.691 -9.119 -15.630 951 HB2 ASP 34 2HB ASP 34 -9.926 -11.095 -17.820 952 HB3 ASP 34 1HB ASP 34 -11.559 -10.903 -17.191 953 H ALA 35 H ALA 35 -8.443 -10.243 -14.024 954 HA ALA 35 HA ALA 35 -9.335 -12.959 -13.332 955 HB1 ALA 35 3HB ALA 35 -7.076 -11.273 -12.180 956 HB2 ALA 35 1HB ALA 35 -6.914 -12.494 -13.446 957 HB3 ALA 35 2HB ALA 35 -7.390 -12.972 -11.816 958 H GLU 36 H GLU 36 -9.189 -13.215 -10.726 959 HA GLU 36 HA GLU 36 -11.352 -12.151 -9.417 960 HB2 GLU 36 2HB GLU 36 -8.714 -13.186 -8.344 961 HB3 GLU 36 1HB GLU 36 -9.943 -12.592 -7.235 962 HG2 GLU 36 2HG GLU 36 -10.363 -14.831 -9.232 963 HG3 GLU 36 1HG GLU 36 -9.992 -15.051 -7.521 964 HA PRO 37 HA PRO 37 -10.080 -7.781 -8.954 965 HB2 PRO 37 2HB PRO 37 -12.745 -7.581 -7.571 966 HB3 PRO 37 1HB PRO 37 -12.102 -6.649 -8.937 967 HG2 PRO 37 2HG PRO 37 -14.006 -8.467 -9.340 968 HG3 PRO 37 1HG PRO 37 -12.686 -8.256 -10.517 969 HD2 PRO 37 2HD PRO 37 -12.976 -10.374 -8.379 970 HD3 PRO 37 1HD PRO 37 -12.492 -10.549 -10.084 971 H LYS 38 H LYS 38 -9.098 -6.814 -7.263 972 HA LYS 38 HA LYS 38 -9.516 -7.670 -4.524 973 HB2 LYS 38 2HB LYS 38 -6.985 -8.203 -4.296 974 HB3 LYS 38 1HB LYS 38 -8.018 -9.432 -5.016 975 HG2 LYS 38 2HG LYS 38 -7.228 -8.810 -7.260 976 HG3 LYS 38 1HG LYS 38 -6.249 -7.514 -6.566 977 HD2 LYS 38 2HD LYS 38 -4.861 -9.493 -7.082 978 HD3 LYS 38 1HD LYS 38 -4.880 -9.162 -5.349 979 HE2 LYS 38 2HE LYS 38 -6.641 -10.942 -5.097 980 HE3 LYS 38 1HE LYS 38 -6.437 -11.323 -6.809 981 HZ1 LYS 38 3HZ LYS 38 -5.142 -12.798 -5.409 982 HZ2 LYS 38 1HZ LYS 38 -4.316 -11.487 -4.733 983 HZ3 LYS 38 2HZ LYS 38 -4.123 -11.854 -6.370 984 H TYR 39 H TYR 39 -7.590 -6.581 -3.207 985 HA TYR 39 HA TYR 39 -8.209 -3.793 -3.564 986 HB2 TYR 39 2HB TYR 39 -6.574 -5.223 -1.417 987 HB3 TYR 39 1HB TYR 39 -7.218 -3.581 -1.323 988 HD1 TYR 39 HD2 TYR 39 -9.682 -3.220 -1.106 989 HD2 TYR 39 HD1 TYR 39 -8.033 -7.161 -1.014 990 HE1 TYR 39 HE2 TYR 39 -11.785 -4.079 -0.184 991 HE2 TYR 39 HE1 TYR 39 -10.145 -8.024 -0.096 992 HH TYR 39 HH TYR 39 -12.073 -7.203 1.140 993 H ASP 40 H ASP 40 -6.831 -2.314 -4.213 994 HA ASP 40 HA ASP 40 -3.956 -2.959 -4.614 995 HB2 ASP 40 2HB ASP 40 -5.311 -3.061 -6.806 996 HB3 ASP 40 1HB ASP 40 -5.558 -1.327 -6.649 997 H ILE 41 H ILE 41 -2.565 -1.286 -4.207 998 HA ILE 41 HA ILE 41 -3.662 1.281 -3.294 999 HB ILE 41 HB ILE 41 -3.478 0.025 -1.231 1000 HG12 ILE 41 2HG1 ILE 41 -1.090 1.915 -1.432 1001 HG13 ILE 41 1HG1 ILE 41 -2.758 2.421 -1.192 1002 HG21 ILE 41 1HG2 ILE 41 -1.399 -1.021 -0.410 1003 HG22 ILE 41 2HG2 ILE 41 -0.604 -0.628 -1.934 1004 HG23 ILE 41 3HG2 ILE 41 -1.951 -1.764 -1.915 1005 HD11 ILE 41 3HD1 ILE 41 -1.542 2.488 0.881 1006 HD12 ILE 41 1HD1 ILE 41 -1.091 0.790 0.722 1007 HD13 ILE 41 2HD1 ILE 41 -2.783 1.238 0.966 1008 H ARG 42 H ARG 42 -2.720 2.722 -4.442 1009 HA ARG 42 HA ARG 42 0.062 2.791 -5.161 1010 HB2 ARG 42 2HB ARG 42 0.077 2.138 -7.393 1011 HB3 ARG 42 1HB ARG 42 -1.045 0.983 -6.704 1012 HG2 ARG 42 2HG ARG 42 -2.927 2.422 -7.581 1013 HG3 ARG 42 1HG ARG 42 -1.707 3.396 -8.404 1014 HD2 ARG 42 2HD ARG 42 -2.466 0.511 -8.906 1015 HD3 ARG 42 1HD ARG 42 -2.464 1.855 -10.045 1016 HE ARG 42 HE ARG 42 -0.079 1.688 -10.203 1017 HH11 ARG 42 1HH1 ARG 42 -1.494 -0.893 -8.280 1018 HH12 ARG 42 2HH1 ARG 42 -0.112 -1.932 -8.437 1019 HH21 ARG 42 1HH2 ARG 42 1.753 0.308 -10.387 1020 HH22 ARG 42 2HH2 ARG 42 1.725 -1.253 -9.627 1021 H THR 43 H THR 43 0.443 4.533 -6.989 1022 HA THR 43 HA THR 43 -1.346 6.781 -6.434 1023 HB THR 43 HB THR 43 1.414 6.758 -7.765 1024 HG1 THR 43 HG1 THR 43 0.602 6.897 -5.078 1025 HG21 THR 43 3HG2 THR 43 1.369 9.191 -7.299 1026 HG22 THR 43 1HG2 THR 43 -0.264 9.036 -6.635 1027 HG23 THR 43 2HG2 THR 43 0.030 8.728 -8.349 1028 H TRP 44 H TRP 44 -2.728 7.307 -8.002 1029 HA TRP 44 HA TRP 44 -2.370 6.348 -10.788 1030 HB2 TRP 44 2HB TRP 44 -4.909 7.074 -9.243 1031 HB3 TRP 44 1HB TRP 44 -4.878 6.820 -10.982 1032 HD1 TRP 44 HD1 TRP 44 -4.769 4.888 -7.675 1033 HE1 TRP 44 HE1 TRP 44 -5.296 2.421 -8.173 1034 HE3 TRP 44 HE3 TRP 44 -4.632 5.010 -12.786 1035 HZ2 TRP 44 HZ2 TRP 44 -5.579 0.742 -10.392 1036 HZ3 TRP 44 HZ3 TRP 44 -5.044 2.924 -14.022 1037 HH2 TRP 44 HH2 TRP 44 -5.509 0.828 -12.848 1038 H SER 45 H SER 45 -3.128 7.885 -12.383 1039 HA SER 45 HA SER 45 -2.484 10.638 -11.906 1040 HB2 SER 45 2HB SER 45 -3.253 10.971 -14.223 1041 HB3 SER 45 1HB SER 45 -2.249 9.526 -14.127 1042 HG SER 45 HG SER 45 -4.764 9.767 -14.961 1043 HA PRO 46 HA PRO 46 -6.421 12.217 -10.319 1044 HB2 PRO 46 2HB PRO 46 -6.833 14.532 -11.827 1045 HB3 PRO 46 1HB PRO 46 -5.721 14.409 -10.451 1046 HG2 PRO 46 2HG PRO 46 -5.100 14.190 -13.381 1047 HG3 PRO 46 1HG PRO 46 -4.231 15.081 -12.107 1048 HD2 PRO 46 2HD PRO 46 -3.316 12.717 -12.952 1049 HD3 PRO 46 1HD PRO 46 -3.255 13.138 -11.224 1050 H ASP 47 H ASP 47 -6.200 11.731 -13.806 1051 HA ASP 47 HA ASP 47 -9.120 11.446 -14.109 1052 HB2 ASP 47 2HB ASP 47 -6.867 11.250 -16.171 1053 HB3 ASP 47 1HB ASP 47 -8.581 11.098 -16.542 1054 H HIS 48 H HIS 48 -6.648 9.543 -13.066 1055 HA HIS 48 HA HIS 48 -6.256 7.326 -12.703 1056 HB2 HIS 48 2HB HIS 48 -9.155 7.041 -13.564 1057 HB3 HIS 48 1HB HIS 48 -8.193 5.673 -13.022 1058 HD1 HIS 48 HD1 HIS 48 -10.692 7.714 -11.747 1059 HD2 HIS 48 HD2 HIS 48 -7.013 6.491 -10.278 1060 HE1 HIS 48 HE1 HIS 48 -10.841 7.949 -9.252 1061 HE2 HIS 48 HE2 HIS 48 -8.685 7.018 -8.403 1062 H GLU 49 H GLU 49 -6.153 8.580 -15.577 1063 HA GLU 49 HA GLU 49 -6.464 6.500 -17.469 1064 HB2 GLU 49 2HB GLU 49 -5.175 7.967 -19.003 1065 HB3 GLU 49 1HB GLU 49 -6.423 8.865 -18.148 1066 HG2 GLU 49 2HG GLU 49 -4.731 9.762 -16.592 1067 HG3 GLU 49 1HG GLU 49 -3.481 8.842 -17.418 1068 H LYS 50 H LYS 50 -3.855 7.330 -15.281 1069 HA LYS 50 HA LYS 50 -2.145 5.197 -16.369 1070 HB2 LYS 50 2HB LYS 50 -1.098 7.974 -15.642 1071 HB3 LYS 50 1HB LYS 50 -0.103 6.578 -16.035 1072 HG2 LYS 50 2HG LYS 50 -1.307 6.599 -18.333 1073 HG3 LYS 50 1HG LYS 50 -1.852 8.216 -17.873 1074 HD2 LYS 50 2HD LYS 50 0.142 8.556 -19.158 1075 HD3 LYS 50 1HD LYS 50 0.613 8.792 -17.476 1076 HE2 LYS 50 2HE LYS 50 1.516 6.490 -17.404 1077 HE3 LYS 50 1HE LYS 50 1.054 6.258 -19.090 1078 HZ1 LYS 50 3HZ LYS 50 2.597 7.947 -19.751 1079 HZ2 LYS 50 1HZ LYS 50 3.411 6.820 -18.794 1080 HZ3 LYS 50 2HZ LYS 50 2.976 8.320 -18.150 1081 H MET 51 H MET 51 -0.255 4.894 -14.795 1082 HA MET 51 HA MET 51 -1.030 5.061 -11.978 1083 HB2 MET 51 2HB MET 51 -0.947 2.606 -11.659 1084 HB3 MET 51 1HB MET 51 -2.235 3.040 -12.773 1085 HG2 MET 51 2HG MET 51 -0.836 2.349 -14.677 1086 HG3 MET 51 1HG MET 51 0.479 1.946 -13.571 1087 HE1 MET 51 3HE MET 51 -0.592 -0.117 -15.741 1088 HE2 MET 51 1HE MET 51 -0.686 -1.590 -14.775 1089 HE3 MET 51 2HE MET 51 0.687 -0.501 -14.584 1090 H GLY 52 H GLY 52 0.702 3.990 -10.600 1091 HA2 GLY 52 2HA GLY 52 3.314 3.589 -11.846 1092 HA3 GLY 52 1HA GLY 52 3.154 5.033 -10.842 1093 H LYS 53 H LYS 53 4.240 4.578 -9.056 1094 HA LYS 53 HA LYS 53 4.981 2.181 -7.950 1095 HB2 LYS 53 2HB LYS 53 4.419 4.617 -6.192 1096 HB3 LYS 53 1HB LYS 53 5.579 3.331 -5.909 1097 HG2 LYS 53 2HG LYS 53 6.969 5.063 -6.552 1098 HG3 LYS 53 1HG LYS 53 6.737 4.230 -8.091 1099 HD2 LYS 53 2HD LYS 53 5.000 5.886 -8.725 1100 HD3 LYS 53 1HD LYS 53 5.207 6.703 -7.174 1101 HE2 LYS 53 2HE LYS 53 7.350 6.434 -9.312 1102 HE3 LYS 53 1HE LYS 53 6.380 7.875 -9.000 1103 HZ1 LYS 53 3HZ LYS 53 7.328 7.998 -6.797 1104 HZ2 LYS 53 1HZ LYS 53 8.547 8.011 -7.966 1105 HZ3 LYS 53 2HZ LYS 53 8.243 6.607 -7.082 1106 H GLY 54 H GLY 54 3.695 0.476 -7.124 1107 HA2 GLY 54 2HA GLY 54 2.011 0.840 -4.943 1108 HA3 GLY 54 1HA GLY 54 1.036 0.731 -6.395 1109 H ILE 55 H ILE 55 0.442 -1.094 -4.785 1110 HA ILE 55 HA ILE 55 1.646 -3.610 -5.661 1111 HB ILE 55 HB ILE 55 3.046 -3.082 -3.728 1112 HG12 ILE 55 2HG1 ILE 55 0.978 -5.200 -2.977 1113 HG13 ILE 55 1HG1 ILE 55 2.434 -5.459 -3.929 1114 HG21 ILE 55 1HG2 ILE 55 0.524 -2.718 -2.078 1115 HG22 ILE 55 2HG2 ILE 55 1.591 -1.428 -2.628 1116 HG23 ILE 55 3HG2 ILE 55 2.182 -2.621 -1.473 1117 HD11 ILE 55 3HD1 ILE 55 3.798 -4.923 -1.959 1118 HD12 ILE 55 1HD1 ILE 55 2.716 -6.287 -1.690 1119 HD13 ILE 55 2HD1 ILE 55 2.323 -4.710 -1.010 1120 H THR 56 H THR 56 0.274 -5.357 -5.344 1121 HA THR 56 HA THR 56 -2.567 -4.689 -4.842 1122 HB THR 56 HB THR 56 -1.744 -7.272 -6.214 1123 HG1 THR 56 HG1 THR 56 -1.902 -4.685 -7.418 1124 HG21 THR 56 3HG2 THR 56 -3.870 -6.938 -7.407 1125 HG22 THR 56 1HG2 THR 56 -4.104 -5.389 -6.590 1126 HG23 THR 56 2HG2 THR 56 -4.132 -6.891 -5.663 1127 H LEU 57 H LEU 57 -3.752 -5.933 -3.454 1128 HA LEU 57 HA LEU 57 -2.438 -7.763 -1.570 1129 HB2 LEU 57 2HB LEU 57 -4.464 -5.564 -0.912 1130 HB3 LEU 57 1HB LEU 57 -3.775 -6.695 0.240 1131 HG LEU 57 HG LEU 57 -2.266 -4.474 -1.197 1132 HD11 LEU 57 1HD1 LEU 57 -3.777 -3.597 0.525 1133 HD12 LEU 57 2HD1 LEU 57 -2.099 -3.427 1.033 1134 HD13 LEU 57 3HD1 LEU 57 -3.099 -4.710 1.720 1135 HD21 LEU 57 3HD2 LEU 57 -0.781 -6.371 -0.838 1136 HD22 LEU 57 1HD2 LEU 57 -1.261 -6.468 0.859 1137 HD23 LEU 57 2HD2 LEU 57 -0.360 -5.067 0.270 1138 H SER 58 H SER 58 -3.727 -9.533 -1.094 1139 HA SER 58 HA SER 58 -6.299 -9.883 -2.491 1140 HB2 SER 58 2HB SER 58 -4.723 -11.874 -0.796 1141 HB3 SER 58 1HB SER 58 -6.073 -12.245 -1.872 1142 HG SER 58 HG SER 58 -3.418 -11.800 -2.444 1143 H GLU 59 H GLU 59 -8.011 -11.148 -1.003 1144 HA GLU 59 HA GLU 59 -8.875 -9.497 1.086 1145 HB2 GLU 59 2HB GLU 59 -9.565 -12.446 0.744 1146 HB3 GLU 59 1HB GLU 59 -10.496 -11.239 1.631 1147 HG2 GLU 59 2HG GLU 59 -10.892 -10.019 -0.510 1148 HG3 GLU 59 1HG GLU 59 -10.054 -11.317 -1.365 1149 H GLU 60 H GLU 60 -6.813 -12.364 1.166 1150 HA GLU 60 HA GLU 60 -6.542 -12.753 3.921 1151 HB2 GLU 60 2HB GLU 60 -4.558 -13.164 1.643 1152 HB3 GLU 60 1HB GLU 60 -4.280 -13.735 3.286 1153 HG2 GLU 60 2HG GLU 60 -6.197 -15.221 3.151 1154 HG3 GLU 60 1HG GLU 60 -6.625 -14.573 1.569 1155 H GLU 61 H GLU 61 -4.313 -10.934 1.770 1156 HA GLU 61 HA GLU 61 -2.648 -9.815 3.675 1157 HB2 GLU 61 2HB GLU 61 -3.467 -8.787 0.929 1158 HB3 GLU 61 1HB GLU 61 -2.298 -7.925 1.924 1159 HG2 GLU 61 2HG GLU 61 -1.009 -9.181 0.426 1160 HG3 GLU 61 1HG GLU 61 -0.916 -10.061 1.944 1161 H PHE 62 H PHE 62 -5.451 -8.277 2.125 1162 HA PHE 62 HA PHE 62 -5.376 -5.863 3.527 1163 HB2 PHE 62 2HB PHE 62 -6.472 -6.286 1.306 1164 HB3 PHE 62 1HB PHE 62 -7.757 -7.158 2.133 1165 HD1 PHE 62 HD2 PHE 62 -6.068 -3.819 1.972 1166 HD2 PHE 62 HD1 PHE 62 -9.652 -5.953 2.915 1167 HE1 PHE 62 HE2 PHE 62 -7.277 -1.698 2.221 1168 HE2 PHE 62 HE1 PHE 62 -10.851 -3.821 3.162 1169 HZ PHE 62 HZ PHE 62 -9.670 -1.695 2.807 1170 H GLY 63 H GLY 63 -7.346 -8.842 4.099 1171 HA2 GLY 63 2HA GLY 63 -8.909 -7.933 6.217 1172 HA3 GLY 63 1HA GLY 63 -8.427 -9.604 5.952 1173 H VAL 64 H VAL 64 -5.736 -9.588 6.325 1174 HA VAL 64 HA VAL 64 -5.332 -9.493 9.113 1175 HB VAL 64 HB VAL 64 -3.279 -9.546 6.855 1176 HG11 VAL 64 1HG1 VAL 64 -1.617 -10.329 8.509 1177 HG12 VAL 64 2HG1 VAL 64 -2.789 -10.090 9.808 1178 HG13 VAL 64 3HG1 VAL 64 -2.192 -8.704 8.897 1179 HG21 VAL 64 3HG2 VAL 64 -3.121 -11.960 7.313 1180 HG22 VAL 64 1HG2 VAL 64 -4.775 -11.509 6.900 1181 HG23 VAL 64 2HG2 VAL 64 -4.341 -11.815 8.582 1182 H LEU 65 H LEU 65 -4.628 -7.127 6.519 1183 HA LEU 65 HA LEU 65 -3.157 -5.248 7.971 1184 HB2 LEU 65 2HB LEU 65 -3.462 -5.301 5.470 1185 HB3 LEU 65 1HB LEU 65 -5.103 -4.726 5.688 1186 HG LEU 65 HG LEU 65 -4.104 -2.621 6.771 1187 HD11 LEU 65 1HD1 LEU 65 -1.770 -2.080 6.290 1188 HD12 LEU 65 2HD1 LEU 65 -1.513 -3.693 5.623 1189 HD13 LEU 65 3HD1 LEU 65 -1.898 -3.494 7.333 1190 HD21 LEU 65 3HD2 LEU 65 -3.573 -1.570 4.611 1191 HD22 LEU 65 1HD2 LEU 65 -4.986 -2.618 4.477 1192 HD23 LEU 65 2HD2 LEU 65 -3.425 -3.159 3.856 1193 H LEU 66 H LEU 66 -6.709 -5.386 7.335 1194 HA LEU 66 HA LEU 66 -7.548 -3.145 8.744 1195 HB2 LEU 66 2HB LEU 66 -8.986 -5.794 8.288 1196 HB3 LEU 66 1HB LEU 66 -9.772 -4.329 8.853 1197 HG LEU 66 HG LEU 66 -8.449 -4.692 6.140 1198 HD11 LEU 66 1HD1 LEU 66 -11.386 -4.462 6.849 1199 HD12 LEU 66 2HD1 LEU 66 -10.552 -5.912 6.289 1200 HD13 LEU 66 3HD1 LEU 66 -10.715 -4.527 5.217 1201 HD21 LEU 66 3HD2 LEU 66 -8.181 -2.398 6.890 1202 HD22 LEU 66 1HD2 LEU 66 -9.906 -2.281 7.254 1203 HD23 LEU 66 2HD2 LEU 66 -9.359 -2.477 5.585 1204 H LYS 67 H LYS 67 -7.162 -6.497 9.847 1205 HA LYS 67 HA LYS 67 -8.115 -6.290 12.487 1206 HB2 LYS 67 2HB LYS 67 -6.043 -8.117 11.212 1207 HB3 LYS 67 1HB LYS 67 -6.613 -8.332 12.866 1208 HG2 LYS 67 2HG LYS 67 -8.824 -8.862 12.151 1209 HG3 LYS 67 1HG LYS 67 -8.507 -8.306 10.505 1210 HD2 LYS 67 2HD LYS 67 -8.550 -10.833 10.781 1211 HD3 LYS 67 1HD LYS 67 -7.077 -10.195 10.050 1212 HE2 LYS 67 2HE LYS 67 -5.848 -10.465 12.108 1213 HE3 LYS 67 1HE LYS 67 -7.317 -10.870 13.002 1214 HZ1 LYS 67 3HZ LYS 67 -5.970 -12.818 12.450 1215 HZ2 LYS 67 1HZ LYS 67 -6.164 -12.504 10.800 1216 HZ3 LYS 67 2HZ LYS 67 -7.504 -12.900 11.747 1217 H GLU 68 H GLU 68 -4.753 -6.178 11.304 1218 HA GLU 68 HA GLU 68 -3.612 -5.819 13.873 1219 HB2 GLU 68 2HB GLU 68 -2.376 -5.423 11.120 1220 HB3 GLU 68 1HB GLU 68 -1.478 -5.478 12.632 1221 HG2 GLU 68 2HG GLU 68 -3.074 -7.743 11.415 1222 HG3 GLU 68 1HG GLU 68 -1.321 -7.602 11.442 1223 H LEU 69 H LEU 69 -4.407 -3.577 11.231 1224 HA LEU 69 HA LEU 69 -3.338 -1.222 12.382 1225 HB2 LEU 69 2HB LEU 69 -5.683 -1.559 10.461 1226 HB3 LEU 69 1HB LEU 69 -5.017 0.000 10.921 1227 HG LEU 69 HG LEU 69 -3.581 -2.170 9.340 1228 HD11 LEU 69 1HD1 LEU 69 -3.610 -0.541 7.500 1229 HD12 LEU 69 2HD1 LEU 69 -4.523 0.590 8.504 1230 HD13 LEU 69 3HD1 LEU 69 -5.242 -0.948 8.027 1231 HD21 LEU 69 3HD2 LEU 69 -1.722 -0.623 9.123 1232 HD22 LEU 69 1HD2 LEU 69 -1.996 -1.027 10.816 1233 HD23 LEU 69 2HD2 LEU 69 -2.526 0.538 10.185 1234 H GLY 70 H GLY 70 -6.583 -2.714 12.543 1235 HA2 GLY 70 2HA GLY 70 -7.917 -0.815 14.132 1236 HA3 GLY 70 1HA GLY 70 -8.315 -2.521 14.044 1237 H ASN 71 H ASN 71 -5.784 -3.444 15.020 1238 HA ASN 71 HA ASN 71 -5.980 -3.170 17.874 1239 HB2 ASN 71 2HB ASN 71 -3.694 -4.260 16.164 1240 HB3 ASN 71 1HB ASN 71 -3.795 -4.423 17.917 1241 HD21 ASN 71 1HD2 ASN 71 -3.766 -6.452 15.744 1242 HD22 ASN 71 2HD2 ASN 71 -5.159 -7.430 16.026 1243 H LYS 72 H LYS 72 -3.318 -2.252 15.720 1244 HA LYS 72 HA LYS 72 -1.825 -0.561 17.231 1245 HB2 LYS 72 2HB LYS 72 -2.315 -0.329 14.238 1246 HB3 LYS 72 1HB LYS 72 -0.993 0.465 15.094 1247 HG2 LYS 72 2HG LYS 72 -0.093 -1.742 15.759 1248 HG3 LYS 72 1HG LYS 72 -1.417 -2.529 14.902 1249 HD2 LYS 72 2HD LYS 72 0.533 -2.609 13.481 1250 HD3 LYS 72 1HD LYS 72 -0.610 -1.466 12.770 1251 HE2 LYS 72 2HE LYS 72 1.714 -0.619 12.693 1252 HE3 LYS 72 1HE LYS 72 0.688 0.417 13.688 1253 HZ1 LYS 72 3HZ LYS 72 2.528 -1.681 14.707 1254 HZ2 LYS 72 1HZ LYS 72 1.571 -0.666 15.661 1255 HZ3 LYS 72 2HZ LYS 72 2.829 -0.022 14.738 1256 H LEU 73 H LEU 73 -4.951 0.331 16.000 1257 HA LEU 73 HA LEU 73 -4.712 3.168 16.121 1258 HB2 LEU 73 2HB LEU 73 -7.173 1.398 16.448 1259 HB3 LEU 73 1HB LEU 73 -7.231 3.149 16.280 1260 HG LEU 73 HG LEU 73 -6.291 1.164 14.182 1261 HD11 LEU 73 1HD1 LEU 73 -8.718 1.253 14.367 1262 HD12 LEU 73 2HD1 LEU 73 -8.172 1.934 12.836 1263 HD13 LEU 73 3HD1 LEU 73 -8.685 3.005 14.142 1264 HD21 LEU 73 3HD2 LEU 73 -4.877 3.149 14.058 1265 HD22 LEU 73 1HD2 LEU 73 -6.307 4.184 13.978 1266 HD23 LEU 73 2HD2 LEU 73 -5.949 3.058 12.667 1267 H GLU 74 H GLU 74 -4.573 0.917 18.585 1268 HA GLU 74 HA GLU 74 -5.732 2.231 20.813 1269 HB2 GLU 74 2HB GLU 74 -4.311 0.735 22.191 1270 HB3 GLU 74 1HB GLU 74 -5.081 -0.154 20.883 1271 HG2 GLU 74 2HG GLU 74 -2.964 -0.063 19.586 1272 HG3 GLU 74 1HG GLU 74 -2.191 0.788 20.920 1273 H HIS 75 H HIS 75 -2.486 2.324 19.408 1274 HA HIS 75 HA HIS 75 -1.589 4.491 21.174 1275 HB2 HIS 75 2HB HIS 75 -0.106 3.073 18.918 1276 HB3 HIS 75 1HB HIS 75 0.604 4.227 20.046 1277 HD1 HIS 75 HD1 HIS 75 -0.192 3.275 22.743 1278 HD2 HIS 75 HD2 HIS 75 0.773 0.617 19.700 1279 HE1 HIS 75 HE1 HIS 75 0.389 1.117 23.885 1280 HE2 HIS 75 HE2 HIS 75 0.734 -0.519 22.018 1281 H HIS 76 H HIS 76 -2.867 4.113 17.951 1282 HA HIS 76 HA HIS 76 -2.028 6.767 17.084 1283 HB2 HIS 76 2HB HIS 76 -2.237 4.869 15.444 1284 HB3 HIS 76 1HB HIS 76 -3.978 4.854 15.713 1285 HD1 HIS 76 HD1 HIS 76 -5.355 6.517 14.360 1286 HD2 HIS 76 HD2 HIS 76 -1.272 7.283 14.139 1287 HE1 HIS 76 HE1 HIS 76 -5.084 8.285 12.597 1288 HE2 HIS 76 HE2 HIS 76 -2.623 8.752 12.507 1289 H HIS 77 H HIS 77 -2.946 8.009 18.761 1290 HA HIS 77 HA HIS 77 -5.492 9.133 18.170 1291 HB2 HIS 77 2HB HIS 77 -6.647 8.733 20.325 1292 HB3 HIS 77 1HB HIS 77 -6.360 7.219 19.485 1293 HD1 HIS 77 HD1 HIS 77 -6.933 7.416 22.550 1294 HD2 HIS 77 HD2 HIS 77 -3.145 7.059 20.877 1295 HE1 HIS 77 HE1 HIS 77 -5.507 6.351 24.327 1296 HE2 HIS 77 HE2 HIS 77 -3.231 6.158 23.291 1297 H HIS 78 H HIS 78 -5.751 11.187 19.155 1298 HA HIS 78 HA HIS 78 -3.295 12.361 20.240 1299 HB2 HIS 78 2HB HIS 78 -5.943 13.766 19.641 1300 HB3 HIS 78 1HB HIS 78 -4.396 14.539 19.958 1301 HD1 HIS 78 HD1 HIS 78 -2.806 14.828 17.967 1302 HD2 HIS 78 HD2 HIS 78 -6.206 12.630 17.048 1303 HE1 HIS 78 HE1 HIS 78 -2.817 14.615 15.468 1304 HE2 HIS 78 HE2 HIS 78 -4.947 13.403 14.930 1305 H HIS 79 H HIS 79 -3.456 13.801 22.161 1306 HA HIS 79 HA HIS 79 -5.281 12.823 24.268 1307 HB2 HIS 79 2HB HIS 79 -2.747 14.536 24.385 1308 HB3 HIS 79 1HB HIS 79 -3.782 14.261 25.781 1309 HD1 HIS 79 HD1 HIS 79 -3.102 12.335 27.216 1310 HD2 HIS 79 HD2 HIS 79 -1.685 11.906 23.331 1311 HE1 HIS 79 HE1 HIS 79 -1.664 10.272 27.239 1312 HE2 HIS 79 HE2 HIS 79 -0.854 10.015 24.878 1313 H HIS 80 H HIS 80 -6.506 14.453 25.530 1314 HA HIS 80 HA HIS 80 -7.097 16.912 24.011 1315 HB2 HIS 80 2HB HIS 80 -9.528 16.579 24.472 1316 HB3 HIS 80 1HB HIS 80 -8.855 15.323 23.445 1317 HD1 HIS 80 HD1 HIS 80 -10.089 15.866 26.978 1318 HD2 HIS 80 HD2 HIS 80 -9.158 12.742 24.405 1319 HE1 HIS 80 HE1 HIS 80 -10.866 13.785 28.137 1320 HE2 HIS 80 HE2 HIS 80 -10.307 11.911 26.571 Start of MODEL 9 1 H1 MET 1 1H MET 1 14.640 12.395 -8.668 2 H2 MET 1 2H MET 1 15.335 12.857 -7.201 3 H3 MET 1 3H MET 1 13.712 12.404 -7.259 4 HA MET 1 HA MET 1 15.105 10.680 -6.311 5 HB2 MET 1 2HB MET 1 13.923 9.957 -9.037 6 HB3 MET 1 1HB MET 1 14.311 8.810 -7.759 7 HG2 MET 1 2HG MET 1 12.633 9.902 -6.299 8 HG3 MET 1 1HG MET 1 12.209 10.983 -7.629 9 HE1 MET 1 3HE MET 1 9.624 10.228 -7.396 10 HE2 MET 1 1HE MET 1 10.090 9.182 -6.053 11 HE3 MET 1 2HE MET 1 9.124 8.537 -7.378 12 H ALA 2 H ALA 2 17.253 10.446 -6.183 13 HA ALA 2 HA ALA 2 19.083 10.534 -8.404 14 HB1 ALA 2 3HB ALA 2 19.752 11.234 -6.140 15 HB2 ALA 2 1HB ALA 2 20.767 9.905 -6.705 16 HB3 ALA 2 2HB ALA 2 19.477 9.599 -5.538 17 H ASP 3 H ASP 3 20.519 8.661 -8.930 18 HA ASP 3 HA ASP 3 19.078 6.498 -9.916 19 HB2 ASP 3 2HB ASP 3 22.072 6.802 -9.464 20 HB3 ASP 3 1HB ASP 3 21.375 5.402 -10.273 21 H LYS 4 H LYS 4 21.569 6.173 -7.320 22 HA LYS 4 HA LYS 4 20.191 3.770 -6.330 23 HB2 LYS 4 2HB LYS 4 22.708 3.829 -6.897 24 HB3 LYS 4 1HB LYS 4 22.921 4.891 -5.519 25 HG2 LYS 4 2HG LYS 4 21.757 2.095 -5.297 26 HG3 LYS 4 1HG LYS 4 23.473 2.439 -5.182 27 HD2 LYS 4 2HD LYS 4 22.978 3.950 -3.221 28 HD3 LYS 4 1HD LYS 4 21.302 3.406 -3.297 29 HE2 LYS 4 2HE LYS 4 23.758 1.742 -2.679 30 HE3 LYS 4 1HE LYS 4 22.414 2.113 -1.598 31 HZ1 LYS 4 3HZ LYS 4 20.973 0.834 -3.113 32 HZ2 LYS 4 1HZ LYS 4 22.197 -0.101 -2.415 33 HZ3 LYS 4 2HZ LYS 4 22.337 0.406 -4.018 34 H LEU 5 H LEU 5 18.752 4.201 -4.763 35 HA LEU 5 HA LEU 5 18.982 6.619 -3.110 36 HB2 LEU 5 2HB LEU 5 16.731 4.583 -3.338 37 HB3 LEU 5 1HB LEU 5 16.689 6.009 -2.303 38 HG LEU 5 HG LEU 5 16.835 6.049 -5.348 39 HD11 LEU 5 1HD1 LEU 5 14.517 6.748 -3.511 40 HD12 LEU 5 2HD1 LEU 5 14.631 5.321 -4.543 41 HD13 LEU 5 3HD1 LEU 5 14.537 6.923 -5.269 42 HD21 LEU 5 3HD2 LEU 5 16.511 8.500 -5.151 43 HD22 LEU 5 1HD2 LEU 5 18.024 7.981 -4.409 44 HD23 LEU 5 2HD2 LEU 5 16.635 8.378 -3.395 45 H LYS 6 H LYS 6 18.442 6.452 -0.848 46 HA LYS 6 HA LYS 6 19.677 4.113 0.493 47 HB2 LYS 6 2HB LYS 6 19.521 7.036 1.377 48 HB3 LYS 6 1HB LYS 6 20.079 5.732 2.415 49 HG2 LYS 6 2HG LYS 6 21.398 6.590 -0.184 50 HG3 LYS 6 1HG LYS 6 21.932 7.061 1.432 51 HD2 LYS 6 2HD LYS 6 21.806 4.198 0.396 52 HD3 LYS 6 1HD LYS 6 23.270 5.182 0.471 53 HE2 LYS 6 2HE LYS 6 23.153 5.263 2.906 54 HE3 LYS 6 1HE LYS 6 21.594 4.435 2.900 55 HZ1 LYS 6 3HZ LYS 6 23.427 2.954 3.444 56 HZ2 LYS 6 1HZ LYS 6 24.147 3.269 1.949 57 HZ3 LYS 6 2HZ LYS 6 22.655 2.478 2.019 58 H PHE 7 H PHE 7 18.455 3.147 2.090 59 HA PHE 7 HA PHE 7 16.081 4.463 3.153 60 HB2 PHE 7 2HB PHE 7 14.702 2.413 2.830 61 HB3 PHE 7 1HB PHE 7 15.181 3.122 1.302 62 HD1 PHE 7 HD1 PHE 7 16.772 1.949 -0.191 63 HD2 PHE 7 HD2 PHE 7 15.530 0.194 3.511 64 HE1 PHE 7 HE1 PHE 7 17.620 -0.232 -0.930 65 HE2 PHE 7 HE2 PHE 7 16.390 -1.983 2.763 66 HZ PHE 7 HZ PHE 7 17.433 -2.203 0.539 67 H GLU 8 H GLU 8 15.653 3.864 5.285 68 HA GLU 8 HA GLU 8 17.262 1.723 6.527 69 HB2 GLU 8 2HB GLU 8 18.239 3.935 7.116 70 HB3 GLU 8 1HB GLU 8 16.663 4.506 7.654 71 HG2 GLU 8 2HG GLU 8 16.705 2.692 9.418 72 HG3 GLU 8 1HG GLU 8 18.364 2.338 8.936 73 H ILE 9 H ILE 9 15.888 0.301 7.504 74 HA ILE 9 HA ILE 9 13.052 0.892 7.612 75 HB ILE 9 HB ILE 9 14.542 -1.615 8.532 76 HG12 ILE 9 2HG1 ILE 9 13.108 -1.037 5.884 77 HG13 ILE 9 1HG1 ILE 9 14.855 -1.125 6.090 78 HG21 ILE 9 1HG2 ILE 9 12.320 -2.718 8.418 79 HG22 ILE 9 2HG2 ILE 9 11.565 -1.187 7.972 80 HG23 ILE 9 3HG2 ILE 9 12.290 -1.381 9.569 81 HD11 ILE 9 3HD1 ILE 9 14.013 -3.136 5.103 82 HD12 ILE 9 1HD1 ILE 9 12.893 -3.372 6.442 83 HD13 ILE 9 2HD1 ILE 9 14.634 -3.484 6.716 84 H ILE 10 H ILE 10 12.386 2.087 9.168 85 HA ILE 10 HA ILE 10 13.747 2.592 11.654 86 HB ILE 10 HB ILE 10 10.969 3.473 10.705 87 HG12 ILE 10 2HG1 ILE 10 12.685 4.242 9.121 88 HG13 ILE 10 1HG1 ILE 10 12.074 5.614 10.037 89 HG21 ILE 10 1HG2 ILE 10 11.184 5.316 12.356 90 HG22 ILE 10 2HG2 ILE 10 12.703 4.623 12.932 91 HG23 ILE 10 3HG2 ILE 10 11.193 3.733 13.133 92 HD11 ILE 10 3HD1 ILE 10 14.088 5.505 11.472 93 HD12 ILE 10 1HD1 ILE 10 14.458 5.799 9.775 94 HD13 ILE 10 2HD1 ILE 10 14.706 4.196 10.462 95 H GLU 11 H GLU 11 10.869 0.854 10.525 96 HA GLU 11 HA GLU 11 10.827 -0.876 12.834 97 HB2 GLU 11 2HB GLU 11 9.658 1.254 13.616 98 HB3 GLU 11 1HB GLU 11 8.437 0.983 12.377 99 HG2 GLU 11 2HG GLU 11 7.822 -1.150 13.458 100 HG3 GLU 11 1HG GLU 11 9.039 -0.873 14.706 101 H GLU 12 H GLU 12 9.521 -2.703 12.465 102 HA GLU 12 HA GLU 12 8.158 -2.977 9.838 103 HB2 GLU 12 2HB GLU 12 9.125 -5.082 11.827 104 HB3 GLU 12 1HB GLU 12 8.176 -5.456 10.391 105 HG2 GLU 12 2HG GLU 12 9.945 -4.785 8.924 106 HG3 GLU 12 1HG GLU 12 10.847 -4.042 10.246 107 H LEU 13 H LEU 13 5.954 -3.147 9.803 108 HA LEU 13 HA LEU 13 4.583 -2.754 12.421 109 HB2 LEU 13 2HB LEU 13 3.581 -2.090 9.620 110 HB3 LEU 13 1HB LEU 13 2.728 -1.761 11.123 111 HG LEU 13 HG LEU 13 5.330 -0.482 10.209 112 HD11 LEU 13 1HD1 LEU 13 3.998 1.593 10.132 113 HD12 LEU 13 2HD1 LEU 13 2.548 0.678 10.552 114 HD13 LEU 13 3HD1 LEU 13 3.381 0.367 9.028 115 HD21 LEU 13 3HD2 LEU 13 5.176 0.922 12.245 116 HD22 LEU 13 1HD2 LEU 13 5.414 -0.779 12.636 117 HD23 LEU 13 2HD2 LEU 13 3.817 -0.048 12.810 118 H ILE 14 H ILE 14 4.010 -4.323 9.271 119 HA ILE 14 HA ILE 14 2.517 -6.525 10.518 120 HB ILE 14 HB ILE 14 1.326 -4.924 8.170 121 HG12 ILE 14 2HG1 ILE 14 0.374 -4.780 11.081 122 HG13 ILE 14 1HG1 ILE 14 1.272 -3.511 10.257 123 HG21 ILE 14 1HG2 ILE 14 0.114 -7.092 9.951 124 HG22 ILE 14 2HG2 ILE 14 0.657 -7.298 8.285 125 HG23 ILE 14 3HG2 ILE 14 -0.718 -6.256 8.636 126 HD11 ILE 14 3HD1 ILE 14 -0.560 -3.220 8.684 127 HD12 ILE 14 1HD1 ILE 14 -1.090 -3.019 10.354 128 HD13 ILE 14 2HD1 ILE 14 -1.459 -4.508 9.490 129 H VAL 15 H VAL 15 3.233 -8.396 9.487 130 HA VAL 15 HA VAL 15 4.112 -8.268 6.664 131 HB VAL 15 HB VAL 15 4.107 -10.681 8.556 132 HG11 VAL 15 1HG1 VAL 15 3.980 -11.353 6.185 133 HG12 VAL 15 2HG1 VAL 15 5.556 -11.761 6.858 134 HG13 VAL 15 3HG1 VAL 15 5.388 -10.355 5.804 135 HG21 VAL 15 3HG2 VAL 15 6.440 -8.882 7.747 136 HG22 VAL 15 1HG2 VAL 15 6.561 -10.353 8.718 137 HG23 VAL 15 2HG2 VAL 15 5.689 -8.956 9.342 138 H LEU 16 H LEU 16 2.677 -8.704 5.089 139 HA LEU 16 HA LEU 16 -0.078 -9.420 5.819 140 HB2 LEU 16 2HB LEU 16 1.047 -8.366 3.196 141 HB3 LEU 16 1HB LEU 16 -0.657 -8.574 3.570 142 HG LEU 16 HG LEU 16 1.216 -6.639 4.990 143 HD11 LEU 16 1HD1 LEU 16 -0.965 -6.049 2.963 144 HD12 LEU 16 2HD1 LEU 16 0.772 -5.893 2.700 145 HD13 LEU 16 3HD1 LEU 16 -0.035 -4.846 3.864 146 HD21 LEU 16 3HD2 LEU 16 -0.810 -5.783 6.077 147 HD22 LEU 16 1HD2 LEU 16 -0.543 -7.479 6.467 148 HD23 LEU 16 2HD2 LEU 16 -1.775 -7.030 5.286 149 H SER 17 H SER 17 2.670 -10.727 4.158 150 HA SER 17 HA SER 17 1.746 -13.318 3.894 151 HB2 SER 17 2HB SER 17 0.187 -12.321 2.148 152 HB3 SER 17 1HB SER 17 1.607 -11.891 1.192 153 HG SER 17 HG SER 17 0.456 -14.375 1.687 154 H GLU 18 H GLU 18 3.184 -14.627 2.470 155 HA GLU 18 HA GLU 18 5.921 -13.531 2.153 156 HB2 GLU 18 2HB GLU 18 5.801 -14.438 4.436 157 HB3 GLU 18 1HB GLU 18 5.188 -15.973 3.834 158 HG2 GLU 18 2HG GLU 18 7.301 -16.491 2.790 159 HG3 GLU 18 1HG GLU 18 7.925 -14.877 3.133 160 H ASN 19 H ASN 19 7.184 -14.560 0.584 161 HA ASN 19 HA ASN 19 5.556 -16.177 -1.337 162 HB2 ASN 19 2HB ASN 19 6.457 -13.958 -2.062 163 HB3 ASN 19 1HB ASN 19 8.091 -14.530 -1.787 164 HD21 ASN 19 1HD2 ASN 19 5.311 -14.715 -3.896 165 HD22 ASN 19 2HD2 ASN 19 6.144 -15.471 -5.205 166 H ALA 20 H ALA 20 6.830 -17.810 -2.707 167 HA ALA 20 HA ALA 20 8.162 -19.770 -1.137 168 HB1 ALA 20 3HB ALA 20 8.132 -19.499 -4.166 169 HB2 ALA 20 1HB ALA 20 6.911 -20.327 -3.195 170 HB3 ALA 20 2HB ALA 20 8.556 -20.955 -3.260 171 H LYS 21 H LYS 21 9.392 -17.341 -3.404 172 HA LYS 21 HA LYS 21 12.185 -17.824 -3.007 173 HB2 LYS 21 2HB LYS 21 10.930 -15.175 -3.834 174 HB3 LYS 21 1HB LYS 21 12.554 -15.753 -4.196 175 HG2 LYS 21 2HG LYS 21 9.947 -16.801 -5.342 176 HG3 LYS 21 1HG LYS 21 11.172 -15.854 -6.190 177 HD2 LYS 21 2HD LYS 21 12.778 -17.720 -5.961 178 HD3 LYS 21 1HD LYS 21 11.570 -18.664 -5.084 179 HE2 LYS 21 2HE LYS 21 10.120 -18.680 -7.085 180 HE3 LYS 21 1HE LYS 21 11.314 -17.721 -7.964 181 HZ1 LYS 21 3HZ LYS 21 11.467 -20.080 -8.478 182 HZ2 LYS 21 1HZ LYS 21 11.774 -20.438 -6.854 183 HZ3 LYS 21 2HZ LYS 21 12.886 -19.527 -7.746 184 H GLY 22 H GLY 22 9.772 -16.444 -1.095 185 HA2 GLY 22 2HA GLY 22 10.221 -16.252 1.274 186 HA3 GLY 22 1HA GLY 22 11.677 -15.338 0.876 187 H TRP 23 H TRP 23 10.011 -14.050 -1.391 188 HA TRP 23 HA TRP 23 10.232 -11.580 -0.211 189 HB2 TRP 23 2HB TRP 23 8.676 -12.442 -2.663 190 HB3 TRP 23 1HB TRP 23 8.804 -10.751 -2.198 191 HD1 TRP 23 HD1 TRP 23 11.493 -13.572 -2.573 192 HE1 TRP 23 HE1 TRP 23 13.394 -12.651 -4.016 193 HE3 TRP 23 HE3 TRP 23 9.635 -8.878 -3.470 194 HZ2 TRP 23 HZ2 TRP 23 14.048 -10.248 -5.364 195 HZ3 TRP 23 HZ3 TRP 23 10.963 -7.332 -4.850 196 HH2 TRP 23 HH2 TRP 23 13.127 -7.999 -5.777 197 H ARG 24 H ARG 24 9.098 -10.599 1.344 198 HA ARG 24 HA ARG 24 6.399 -11.567 2.000 199 HB2 ARG 24 2HB ARG 24 8.132 -9.755 3.731 200 HB3 ARG 24 1HB ARG 24 6.743 -10.725 4.207 201 HG2 ARG 24 2HG ARG 24 8.130 -12.787 3.767 202 HG3 ARG 24 1HG ARG 24 9.511 -11.724 3.480 203 HD2 ARG 24 2HD ARG 24 7.986 -12.159 6.058 204 HD3 ARG 24 1HD ARG 24 9.702 -12.435 5.744 205 HE ARG 24 HE ARG 24 9.085 -9.691 5.373 206 HH11 ARG 24 1HH1 ARG 24 9.531 -12.022 7.975 207 HH12 ARG 24 2HH1 ARG 24 9.979 -10.811 9.130 208 HH21 ARG 24 1HH2 ARG 24 9.531 -8.132 6.911 209 HH22 ARG 24 2HH2 ARG 24 9.976 -8.593 8.525 210 H LYS 25 H LYS 25 4.742 -10.275 1.308 211 HA LYS 25 HA LYS 25 5.276 -7.445 0.732 212 HB2 LYS 25 2HB LYS 25 2.932 -7.279 -0.012 213 HB3 LYS 25 1HB LYS 25 3.843 -8.500 -0.881 214 HG2 LYS 25 2HG LYS 25 2.715 -10.270 0.403 215 HG3 LYS 25 1HG LYS 25 1.817 -9.047 1.310 216 HD2 LYS 25 2HD LYS 25 0.427 -9.985 -0.492 217 HD3 LYS 25 1HD LYS 25 0.731 -8.272 -0.770 218 HE2 LYS 25 2HE LYS 25 0.904 -9.565 -2.857 219 HE3 LYS 25 1HE LYS 25 2.458 -8.846 -2.435 220 HZ1 LYS 25 3HZ LYS 25 1.719 -11.646 -1.797 221 HZ2 LYS 25 1HZ LYS 25 3.238 -10.929 -1.657 222 HZ3 LYS 25 2HZ LYS 25 2.571 -11.199 -3.182 223 H GLU 26 H GLU 26 5.429 -6.195 2.389 224 HA GLU 26 HA GLU 26 3.696 -6.544 4.753 225 HB2 GLU 26 2HB GLU 26 5.704 -6.210 6.181 226 HB3 GLU 26 1HB GLU 26 5.822 -7.660 5.192 227 HG2 GLU 26 2HG GLU 26 7.280 -6.385 3.583 228 HG3 GLU 26 1HG GLU 26 7.247 -5.019 4.696 229 H LEU 27 H LEU 27 3.410 -4.760 6.031 230 HA LEU 27 HA LEU 27 3.982 -2.098 4.938 231 HB2 LEU 27 2HB LEU 27 1.651 -2.610 5.568 232 HB3 LEU 27 1HB LEU 27 2.167 -3.085 7.178 233 HG LEU 27 HG LEU 27 2.904 -0.696 7.573 234 HD11 LEU 27 1HD1 LEU 27 1.449 -0.109 4.968 235 HD12 LEU 27 2HD1 LEU 27 3.177 0.086 5.271 236 HD13 LEU 27 3HD1 LEU 27 2.018 1.095 6.130 237 HD21 LEU 27 3HD2 LEU 27 0.642 0.123 8.015 238 HD22 LEU 27 1HD2 LEU 27 0.789 -1.579 8.443 239 HD23 LEU 27 2HD2 LEU 27 -0.038 -1.110 6.954 240 H ASN 28 H ASN 28 5.765 -1.153 5.706 241 HA ASN 28 HA ASN 28 6.533 -1.383 8.532 242 HB2 ASN 28 2HB ASN 28 8.860 -1.854 8.016 243 HB3 ASN 28 1HB ASN 28 7.864 -3.078 7.252 244 HD21 ASN 28 1HD2 ASN 28 7.158 -1.334 4.918 245 HD22 ASN 28 2HD2 ASN 28 8.595 -1.230 3.979 246 H ARG 29 H ARG 29 8.036 0.333 9.207 247 HA ARG 29 HA ARG 29 7.490 2.876 7.828 248 HB2 ARG 29 2HB ARG 29 8.565 2.280 10.631 249 HB3 ARG 29 1HB ARG 29 8.365 3.902 9.964 250 HG2 ARG 29 2HG ARG 29 5.962 3.621 9.836 251 HG3 ARG 29 1HG ARG 29 6.094 1.927 10.312 252 HD2 ARG 29 2HD ARG 29 5.351 3.243 12.198 253 HD3 ARG 29 1HD ARG 29 6.974 2.633 12.518 254 HE ARG 29 HE ARG 29 6.855 5.307 11.401 255 HH11 ARG 29 1HH1 ARG 29 6.903 3.446 14.388 256 HH12 ARG 29 2HH1 ARG 29 7.460 4.782 15.340 257 HH21 ARG 29 1HH2 ARG 29 7.569 7.054 12.693 258 HH22 ARG 29 2HH2 ARG 29 7.836 6.811 14.389 259 H VAL 30 H VAL 30 9.057 3.662 6.581 260 HA VAL 30 HA VAL 30 11.887 2.858 6.947 261 HB VAL 30 HB VAL 30 10.447 3.204 4.249 262 HG11 VAL 30 1HG1 VAL 30 12.837 3.816 4.146 263 HG12 VAL 30 2HG1 VAL 30 12.533 2.336 3.239 264 HG13 VAL 30 3HG1 VAL 30 13.285 2.253 4.835 265 HG21 VAL 30 3HG2 VAL 30 11.367 0.619 5.582 266 HG22 VAL 30 1HG2 VAL 30 10.703 0.755 3.948 267 HG23 VAL 30 2HG2 VAL 30 9.695 1.128 5.346 268 H SER 31 H SER 31 13.391 4.455 6.427 269 HA SER 31 HA SER 31 12.415 7.221 6.025 270 HB2 SER 31 2HB SER 31 13.508 6.933 8.233 271 HB3 SER 31 1HB SER 31 14.957 6.291 7.452 272 HG SER 31 HG SER 31 13.866 8.891 7.315 273 H TRP 32 H TRP 32 13.002 8.017 4.087 274 HA TRP 32 HA TRP 32 14.801 6.412 2.385 275 HB2 TRP 32 2HB TRP 32 12.670 8.492 1.711 276 HB3 TRP 32 1HB TRP 32 13.733 7.760 0.509 277 HD1 TRP 32 HD1 TRP 32 10.557 7.059 2.483 278 HE1 TRP 32 HE1 TRP 32 9.595 4.786 1.727 279 HE3 TRP 32 HE3 TRP 32 14.523 5.332 -0.278 280 HZ2 TRP 32 HZ2 TRP 32 10.409 2.553 0.249 281 HZ3 TRP 32 HZ3 TRP 32 14.345 3.108 -1.326 282 HH2 TRP 32 HH2 TRP 32 12.328 1.746 -1.067 283 H ASN 33 H ASN 33 16.792 7.095 2.239 284 HA ASN 33 HA ASN 33 18.695 8.284 2.225 285 HB2 ASN 33 2HB ASN 33 16.874 10.366 0.939 286 HB3 ASN 33 1HB ASN 33 18.632 10.416 0.893 287 HD21 ASN 33 1HD2 ASN 33 15.772 8.785 -0.283 288 HD22 ASN 33 2HD2 ASN 33 16.538 7.950 -1.583 289 H ASP 34 H ASP 34 17.544 8.242 4.657 290 HA ASP 34 HA ASP 34 17.562 9.087 6.740 291 HB2 ASP 34 2HB ASP 34 19.656 10.994 5.597 292 HB3 ASP 34 1HB ASP 34 19.361 10.728 7.314 293 H ALA 35 H ALA 35 15.653 10.249 4.795 294 HA ALA 35 HA ALA 35 15.228 12.995 5.707 295 HB1 ALA 35 3HB ALA 35 14.892 12.427 3.319 296 HB2 ALA 35 1HB ALA 35 13.384 12.986 4.052 297 HB3 ALA 35 2HB ALA 35 13.645 11.263 3.764 298 H GLU 36 H GLU 36 12.525 13.163 5.824 299 HA GLU 36 HA GLU 36 11.451 12.332 8.137 300 HB2 GLU 36 2HB GLU 36 9.192 12.428 7.082 301 HB3 GLU 36 1HB GLU 36 10.209 13.787 6.624 302 HG2 GLU 36 2HG GLU 36 10.584 12.869 4.422 303 HG3 GLU 36 1HG GLU 36 9.814 11.346 4.862 304 HA PRO 37 HA PRO 37 11.009 7.765 7.731 305 HB2 PRO 37 2HB PRO 37 9.964 7.385 10.261 306 HB3 PRO 37 1HB PRO 37 11.707 7.524 9.946 307 HG2 PRO 37 2HG PRO 37 9.799 9.609 10.949 308 HG3 PRO 37 1HG PRO 37 11.456 9.242 11.483 309 HD2 PRO 37 2HD PRO 37 10.898 11.325 9.818 310 HD3 PRO 37 1HD PRO 37 12.427 10.425 9.734 311 H LYS 38 H LYS 38 9.264 6.985 6.696 312 HA LYS 38 HA LYS 38 6.558 7.957 7.297 313 HB2 LYS 38 2HB LYS 38 6.085 7.955 4.834 314 HB3 LYS 38 1HB LYS 38 7.229 9.197 5.322 315 HG2 LYS 38 2HG LYS 38 9.092 7.932 4.422 316 HG3 LYS 38 1HG LYS 38 8.051 6.548 4.093 317 HD2 LYS 38 2HD LYS 38 8.550 7.782 2.025 318 HD3 LYS 38 1HD LYS 38 6.828 7.835 2.383 319 HE2 LYS 38 2HE LYS 38 8.673 10.113 3.155 320 HE3 LYS 38 1HE LYS 38 7.970 10.004 1.545 321 HZ1 LYS 38 3HZ LYS 38 6.641 11.415 2.921 322 HZ2 LYS 38 1HZ LYS 38 6.481 10.221 4.102 323 HZ3 LYS 38 2HZ LYS 38 5.761 10.010 2.590 324 H TYR 39 H TYR 39 4.983 6.478 6.107 325 HA TYR 39 HA TYR 39 5.629 3.722 6.749 326 HB2 TYR 39 2HB TYR 39 3.045 4.978 5.719 327 HB3 TYR 39 1HB TYR 39 3.223 3.334 6.349 328 HD1 TYR 39 HD1 TYR 39 3.134 6.927 7.268 329 HD2 TYR 39 HD2 TYR 39 3.493 2.946 8.783 330 HE1 TYR 39 HE1 TYR 39 2.755 7.753 9.548 331 HE2 TYR 39 HE2 TYR 39 3.097 3.777 11.056 332 HH TYR 39 HH TYR 39 1.962 6.930 11.691 333 H ASP 40 H ASP 40 5.667 2.098 5.333 334 HA ASP 40 HA ASP 40 5.518 2.582 2.414 335 HB2 ASP 40 2HB ASP 40 7.881 2.733 3.003 336 HB3 ASP 40 1HB ASP 40 7.802 1.254 3.952 337 H ILE 41 H ILE 41 4.551 0.965 1.314 338 HA ILE 41 HA ILE 41 3.891 -1.560 2.689 339 HB ILE 41 HB ILE 41 1.866 -0.315 3.026 340 HG12 ILE 41 2HG1 ILE 41 1.439 -2.169 0.633 341 HG13 ILE 41 1HG1 ILE 41 1.580 -2.690 2.307 342 HG21 ILE 41 1HG2 ILE 41 0.565 0.796 1.254 343 HG22 ILE 41 2HG2 ILE 41 1.822 0.399 0.081 344 HG23 ILE 41 3HG2 ILE 41 2.178 1.499 1.411 345 HD11 ILE 41 3HD1 ILE 41 -0.497 -1.468 2.833 346 HD12 ILE 41 1HD1 ILE 41 -0.720 -2.705 1.598 347 HD13 ILE 41 2HD1 ILE 41 -0.632 -1.008 1.133 348 H ARG 42 H ARG 42 4.853 -2.973 1.538 349 HA ARG 42 HA ARG 42 5.215 -2.820 -1.380 350 HB2 ARG 42 2HB ARG 42 6.796 -1.146 -0.173 351 HB3 ARG 42 1HB ARG 42 7.647 -2.551 0.450 352 HG2 ARG 42 2HG ARG 42 8.258 -3.225 -1.825 353 HG3 ARG 42 1HG ARG 42 7.304 -1.901 -2.499 354 HD2 ARG 42 2HD ARG 42 8.866 -0.401 -0.950 355 HD3 ARG 42 1HD ARG 42 9.935 -1.800 -1.042 356 HE ARG 42 HE ARG 42 9.733 -1.514 -3.563 357 HH11 ARG 42 1HH1 ARG 42 9.440 1.208 -1.358 358 HH12 ARG 42 2HH1 ARG 42 9.998 2.368 -2.519 359 HH21 ARG 42 1HH2 ARG 42 10.448 0.021 -5.092 360 HH22 ARG 42 2HH2 ARG 42 10.574 1.692 -4.652 361 H THR 43 H THR 43 6.716 -4.691 -2.164 362 HA THR 43 HA THR 43 6.644 -6.919 -0.247 363 HB THR 43 HB THR 43 7.069 -7.056 -3.277 364 HG1 THR 43 HG1 THR 43 4.892 -6.310 -2.297 365 HG21 THR 43 3HG2 THR 43 6.373 -9.193 -1.206 366 HG22 THR 43 1HG2 THR 43 7.926 -9.014 -2.027 367 HG23 THR 43 2HG2 THR 43 6.490 -9.455 -2.949 368 H TRP 44 H TRP 44 8.516 -7.327 0.652 369 HA TRP 44 HA TRP 44 11.075 -6.394 -0.519 370 HB2 TRP 44 2HB TRP 44 10.283 -6.823 2.410 371 HB3 TRP 44 1HB TRP 44 11.910 -6.433 1.867 372 HD1 TRP 44 HD1 TRP 44 8.464 -4.807 2.433 373 HE1 TRP 44 HE1 TRP 44 8.799 -2.253 2.501 374 HE3 TRP 44 HE3 TRP 44 13.351 -4.553 0.916 375 HZ2 TRP 44 HZ2 TRP 44 10.806 -0.380 1.937 376 HZ3 TRP 44 HZ3 TRP 44 14.399 -2.339 0.704 377 HH2 TRP 44 HH2 TRP 44 13.157 -0.292 1.203 378 H SER 45 H SER 45 12.893 -7.825 0.095 379 HA SER 45 HA SER 45 12.313 -10.667 0.256 380 HB2 SER 45 2HB SER 45 14.810 -10.859 0.646 381 HB3 SER 45 1HB SER 45 14.396 -9.979 -0.825 382 HG SER 45 HG SER 45 14.504 -8.157 1.000 383 HA PRO 46 HA PRO 46 12.140 -10.801 4.837 384 HB2 PRO 46 2HB PRO 46 13.722 -13.288 4.950 385 HB3 PRO 46 1HB PRO 46 12.012 -13.038 5.336 386 HG2 PRO 46 2HG PRO 46 12.950 -14.410 3.145 387 HG3 PRO 46 1HG PRO 46 11.320 -13.719 3.286 388 HD2 PRO 46 2HD PRO 46 13.650 -12.765 1.701 389 HD3 PRO 46 1HD PRO 46 11.914 -12.505 1.434 390 H ASP 47 H ASP 47 15.100 -11.266 3.008 391 HA ASP 47 HA ASP 47 16.950 -10.529 5.081 392 HB2 ASP 47 2HB ASP 47 17.317 -10.501 2.044 393 HB3 ASP 47 1HB ASP 47 18.604 -10.466 3.248 394 H HIS 48 H HIS 48 14.734 -8.812 3.200 395 HA HIS 48 HA HIS 48 14.155 -6.685 2.834 396 HB2 HIS 48 2HB HIS 48 15.809 -6.378 5.352 397 HB3 HIS 48 1HB HIS 48 14.993 -5.002 4.619 398 HD1 HIS 48 HD1 HIS 48 14.445 -7.375 7.178 399 HD2 HIS 48 HD2 HIS 48 12.068 -5.719 4.206 400 HE1 HIS 48 HE1 HIS 48 12.082 -7.664 7.961 401 HE2 HIS 48 HE2 HIS 48 10.697 -6.483 6.243 402 H GLU 49 H GLU 49 16.752 -7.657 1.589 403 HA GLU 49 HA GLU 49 18.111 -5.079 1.052 404 HB2 GLU 49 2HB GLU 49 19.884 -6.417 0.020 405 HB3 GLU 49 1HB GLU 49 19.557 -6.990 1.652 406 HG2 GLU 49 2HG GLU 49 18.237 -8.869 0.729 407 HG3 GLU 49 1HG GLU 49 18.577 -8.305 -0.906 408 H LYS 50 H LYS 50 15.747 -7.114 -0.190 409 HA LYS 50 HA LYS 50 15.928 -6.010 -2.924 410 HB2 LYS 50 2HB LYS 50 14.726 -8.654 -2.005 411 HB3 LYS 50 1HB LYS 50 14.661 -8.046 -3.648 412 HG2 LYS 50 2HG LYS 50 17.336 -8.518 -2.320 413 HG3 LYS 50 1HG LYS 50 16.423 -9.870 -2.979 414 HD2 LYS 50 2HD LYS 50 17.996 -9.180 -4.658 415 HD3 LYS 50 1HD LYS 50 16.392 -8.704 -5.207 416 HE2 LYS 50 2HE LYS 50 16.869 -6.375 -4.450 417 HE3 LYS 50 1HE LYS 50 18.495 -6.879 -3.993 418 HZ1 LYS 50 3HZ LYS 50 18.506 -5.851 -6.147 419 HZ2 LYS 50 1HZ LYS 50 17.334 -6.929 -6.723 420 HZ3 LYS 50 2HZ LYS 50 18.876 -7.494 -6.320 421 H MET 51 H MET 51 13.954 -5.404 -3.896 422 HA MET 51 HA MET 51 11.479 -5.299 -2.399 423 HB2 MET 51 2HB MET 51 11.289 -2.799 -2.515 424 HB3 MET 51 1HB MET 51 12.554 -3.342 -1.428 425 HG2 MET 51 2HG MET 51 14.251 -2.819 -3.150 426 HG3 MET 51 1HG MET 51 12.968 -2.239 -4.217 427 HE1 MET 51 3HE MET 51 15.611 -0.552 -3.216 428 HE2 MET 51 1HE MET 51 14.884 1.036 -2.968 429 HE3 MET 51 2HE MET 51 14.451 0.081 -4.387 430 H GLY 52 H GLY 52 9.754 -4.206 -3.694 431 HA2 GLY 52 2HA GLY 52 10.151 -3.924 -6.573 432 HA3 GLY 52 1HA GLY 52 9.244 -5.355 -6.073 433 H LYS 53 H LYS 53 7.175 -4.919 -6.606 434 HA LYS 53 HA LYS 53 5.883 -2.490 -6.853 435 HB2 LYS 53 2HB LYS 53 4.663 -5.169 -6.063 436 HB3 LYS 53 1HB LYS 53 3.734 -3.771 -6.600 437 HG2 LYS 53 2HG LYS 53 4.847 -3.869 -8.799 438 HG3 LYS 53 1HG LYS 53 5.783 -5.270 -8.257 439 HD2 LYS 53 2HD LYS 53 3.645 -6.530 -7.915 440 HD3 LYS 53 1HD LYS 53 2.748 -5.141 -8.543 441 HE2 LYS 53 2HE LYS 53 3.081 -6.907 -10.250 442 HE3 LYS 53 1HE LYS 53 3.840 -5.384 -10.718 443 HZ1 LYS 53 3HZ LYS 53 5.239 -7.340 -11.127 444 HZ2 LYS 53 1HZ LYS 53 5.274 -7.664 -9.470 445 HZ3 LYS 53 2HZ LYS 53 5.966 -6.242 -10.073 446 H GLY 54 H GLY 54 5.654 -0.927 -5.320 447 HA2 GLY 54 2HA GLY 54 3.945 -1.310 -3.124 448 HA3 GLY 54 1HA GLY 54 5.618 -1.200 -2.582 449 H ILE 55 H ILE 55 4.085 0.672 -1.647 450 HA ILE 55 HA ILE 55 4.692 3.131 -3.136 451 HB ILE 55 HB ILE 55 2.442 2.648 -3.890 452 HG12 ILE 55 2HG1 ILE 55 2.387 4.828 -1.748 453 HG13 ILE 55 1HG1 ILE 55 2.835 5.032 -3.439 454 HG21 ILE 55 1HG2 ILE 55 0.516 2.270 -2.415 455 HG22 ILE 55 2HG2 ILE 55 1.564 2.371 -0.998 456 HG23 ILE 55 3HG2 ILE 55 1.763 1.049 -2.149 457 HD11 ILE 55 3HD1 ILE 55 0.101 4.370 -2.363 458 HD12 ILE 55 1HD1 ILE 55 0.515 4.485 -4.076 459 HD13 ILE 55 2HD1 ILE 55 0.640 5.905 -3.038 460 H THR 56 H THR 56 4.892 4.947 -1.864 461 HA THR 56 HA THR 56 5.325 4.483 1.017 462 HB THR 56 HB THR 56 6.638 6.624 0.917 463 HG1 THR 56 HG1 THR 56 5.543 7.471 -0.987 464 HG21 THR 56 3HG2 THR 56 8.569 5.709 -0.316 465 HG22 THR 56 1HG2 THR 56 7.521 4.503 -1.076 466 HG23 THR 56 2HG2 THR 56 7.800 4.467 0.668 467 H LEU 57 H LEU 57 4.315 5.711 2.529 468 HA LEU 57 HA LEU 57 2.191 7.600 1.772 469 HB2 LEU 57 2HB LEU 57 1.965 5.435 3.919 470 HB3 LEU 57 1HB LEU 57 0.709 6.566 3.434 471 HG LEU 57 HG LEU 57 1.809 4.308 1.708 472 HD11 LEU 57 1HD1 LEU 57 -0.848 4.520 3.162 473 HD12 LEU 57 2HD1 LEU 57 0.484 3.430 3.564 474 HD13 LEU 57 3HD1 LEU 57 -0.387 3.232 2.044 475 HD21 LEU 57 3HD2 LEU 57 -0.056 4.847 0.162 476 HD22 LEU 57 1HD2 LEU 57 1.100 6.172 0.306 477 HD23 LEU 57 2HD2 LEU 57 -0.448 6.260 1.148 478 H SER 58 H SER 58 2.110 9.366 3.154 479 HA SER 58 HA SER 58 4.227 9.688 5.155 480 HB2 SER 58 2HB SER 58 2.139 11.692 4.172 481 HB3 SER 58 1HB SER 58 3.538 12.062 5.189 482 HG SER 58 HG SER 58 3.470 11.240 2.489 483 H GLU 59 H GLU 59 3.466 10.827 7.285 484 HA GLU 59 HA GLU 59 1.828 9.087 8.727 485 HB2 GLU 59 2HB GLU 59 2.632 11.946 9.403 486 HB3 GLU 59 1HB GLU 59 1.982 10.776 10.554 487 HG2 GLU 59 2HG GLU 59 3.926 9.324 10.232 488 HG3 GLU 59 1HG GLU 59 4.573 10.428 9.015 489 H GLU 60 H GLU 60 1.043 12.204 7.243 490 HA GLU 60 HA GLU 60 -1.641 12.437 8.147 491 HB2 GLU 60 2HB GLU 60 -0.298 13.581 5.654 492 HB3 GLU 60 1HB GLU 60 -1.912 14.026 6.205 493 HG2 GLU 60 2HG GLU 60 -0.923 14.859 8.331 494 HG3 GLU 60 1HG GLU 60 0.680 14.489 7.697 495 H GLU 61 H GLU 61 -0.274 11.156 5.117 496 HA GLU 61 HA GLU 61 -2.735 10.618 3.810 497 HB2 GLU 61 2HB GLU 61 0.013 9.395 3.267 498 HB3 GLU 61 1HB GLU 61 -1.343 9.462 2.135 499 HG2 GLU 61 2HG GLU 61 -1.218 11.884 2.033 500 HG3 GLU 61 1HG GLU 61 0.020 11.920 3.288 501 H PHE 62 H PHE 62 -0.417 8.423 5.368 502 HA PHE 62 HA PHE 62 -1.942 6.067 5.288 503 HB2 PHE 62 2HB PHE 62 0.503 6.080 5.684 504 HB3 PHE 62 1HB PHE 62 0.268 6.885 7.233 505 HD1 PHE 62 HD2 PHE 62 -0.557 3.738 5.373 506 HD2 PHE 62 HD1 PHE 62 -0.083 5.583 9.199 507 HE1 PHE 62 HE2 PHE 62 -0.748 1.551 6.462 508 HE2 PHE 62 HE1 PHE 62 -0.285 3.388 10.279 509 HZ PHE 62 HZ PHE 62 -0.604 1.373 8.910 510 H GLY 63 H GLY 63 -1.753 8.727 7.676 511 HA2 GLY 63 2HA GLY 63 -3.412 7.683 9.686 512 HA3 GLY 63 1HA GLY 63 -3.237 9.393 9.299 513 H VAL 64 H VAL 64 -4.263 9.434 6.688 514 HA VAL 64 HA VAL 64 -7.074 9.517 7.063 515 HB VAL 64 HB VAL 64 -5.436 9.550 4.482 516 HG11 VAL 64 1HG1 VAL 64 -8.389 10.224 4.814 517 HG12 VAL 64 2HG1 VAL 64 -7.732 8.824 3.965 518 HG13 VAL 64 3HG1 VAL 64 -7.441 10.445 3.340 519 HG21 VAL 64 3HG2 VAL 64 -5.815 11.990 4.513 520 HG22 VAL 64 1HG2 VAL 64 -4.988 11.461 5.977 521 HG23 VAL 64 2HG2 VAL 64 -6.708 11.848 6.030 522 H LEU 65 H LEU 65 -4.862 7.107 5.635 523 HA LEU 65 HA LEU 65 -6.758 5.273 4.643 524 HB2 LEU 65 2HB LEU 65 -4.250 5.246 4.230 525 HB3 LEU 65 1HB LEU 65 -4.038 4.612 5.851 526 HG LEU 65 HG LEU 65 -5.470 2.605 5.136 527 HD11 LEU 65 1HD1 LEU 65 -5.034 3.741 2.356 528 HD12 LEU 65 2HD1 LEU 65 -6.579 3.594 3.194 529 HD13 LEU 65 3HD1 LEU 65 -5.692 2.146 2.735 530 HD21 LEU 65 3HD2 LEU 65 -3.022 2.454 5.329 531 HD22 LEU 65 1HD2 LEU 65 -2.839 3.031 3.670 532 HD23 LEU 65 2HD2 LEU 65 -3.609 1.475 3.989 533 H LEU 66 H LEU 66 -5.162 5.458 7.864 534 HA LEU 66 HA LEU 66 -6.336 3.245 9.090 535 HB2 LEU 66 2HB LEU 66 -5.340 5.864 10.271 536 HB3 LEU 66 1HB LEU 66 -5.772 4.462 11.239 537 HG LEU 66 HG LEU 66 -3.523 4.562 9.196 538 HD11 LEU 66 1HD1 LEU 66 -3.017 5.874 11.209 539 HD12 LEU 66 2HD1 LEU 66 -2.013 4.431 11.119 540 HD13 LEU 66 3HD1 LEU 66 -3.386 4.478 12.227 541 HD21 LEU 66 3HD2 LEU 66 -4.496 2.322 9.286 542 HD22 LEU 66 1HD2 LEU 66 -4.363 2.304 11.048 543 HD23 LEU 66 2HD2 LEU 66 -2.909 2.324 10.047 544 H LYS 67 H LYS 67 -7.391 6.631 9.025 545 HA LYS 67 HA LYS 67 -9.595 6.526 10.759 546 HB2 LYS 67 2HB LYS 67 -9.069 8.295 8.329 547 HB3 LYS 67 1HB LYS 67 -10.400 8.564 9.454 548 HG2 LYS 67 2HG LYS 67 -8.925 9.124 11.237 549 HG3 LYS 67 1HG LYS 67 -7.518 8.501 10.372 550 HD2 LYS 67 2HD LYS 67 -7.570 10.979 10.372 551 HD3 LYS 67 1HD LYS 67 -7.655 10.323 8.737 552 HE2 LYS 67 2HE LYS 67 -9.227 12.163 8.933 553 HE3 LYS 67 1HE LYS 67 -10.142 10.668 8.786 554 HZ1 LYS 67 3HZ LYS 67 -10.396 10.686 11.217 555 HZ2 LYS 67 1HZ LYS 67 -11.096 12.032 10.477 556 HZ3 LYS 67 2HZ LYS 67 -9.617 12.181 11.280 557 H GLU 68 H GLU 68 -9.508 6.352 7.215 558 HA GLU 68 HA GLU 68 -12.303 5.905 6.934 559 HB2 GLU 68 2HB GLU 68 -10.048 5.608 4.924 560 HB3 GLU 68 1HB GLU 68 -11.764 5.561 4.523 561 HG2 GLU 68 2HG GLU 68 -10.237 7.922 5.662 562 HG3 GLU 68 1HG GLU 68 -10.818 7.745 4.006 563 H LEU 69 H LEU 69 -9.491 3.709 6.946 564 HA LEU 69 HA LEU 69 -10.880 1.331 6.248 565 HB2 LEU 69 2HB LEU 69 -8.339 1.724 7.872 566 HB3 LEU 69 1HB LEU 69 -9.003 0.128 7.552 567 HG LEU 69 HG LEU 69 -8.016 2.087 5.436 568 HD11 LEU 69 1HD1 LEU 69 -6.201 0.478 5.077 569 HD12 LEU 69 2HD1 LEU 69 -6.798 -0.516 6.409 570 HD13 LEU 69 3HD1 LEU 69 -6.183 1.108 6.722 571 HD21 LEU 69 3HD2 LEU 69 -8.349 0.279 3.835 572 HD22 LEU 69 1HD2 LEU 69 -9.876 0.724 4.591 573 HD23 LEU 69 2HD2 LEU 69 -9.038 -0.748 5.096 574 H GLY 70 H GLY 70 -10.188 2.864 9.384 575 HA2 GLY 70 2HA GLY 70 -11.414 0.985 11.086 576 HA3 GLY 70 1HA GLY 70 -11.206 2.697 11.442 577 H ASN 71 H ASN 71 -12.732 3.714 9.279 578 HA ASN 71 HA ASN 71 -15.414 3.646 10.261 579 HB2 ASN 71 2HB ASN 71 -14.340 4.596 7.566 580 HB3 ASN 71 1HB ASN 71 -15.993 4.861 8.104 581 HD21 ASN 71 1HD2 ASN 71 -13.871 6.784 7.403 582 HD22 ASN 71 2HD2 ASN 71 -13.702 7.806 8.785 583 H LYS 72 H LYS 72 -14.214 2.521 7.138 584 HA LYS 72 HA LYS 72 -16.099 0.779 6.281 585 HB2 LYS 72 2HB LYS 72 -13.089 0.349 6.064 586 HB3 LYS 72 1HB LYS 72 -14.292 -0.491 5.084 587 HG2 LYS 72 2HG LYS 72 -15.025 1.664 4.127 588 HG3 LYS 72 1HG LYS 72 -13.833 2.507 5.114 589 HD2 LYS 72 2HD LYS 72 -12.945 2.296 2.876 590 HD3 LYS 72 1HD LYS 72 -12.016 1.227 3.930 591 HE2 LYS 72 2HE LYS 72 -12.566 0.150 1.769 592 HE3 LYS 72 1HE LYS 72 -13.303 -0.709 3.125 593 HZ1 LYS 72 3HZ LYS 72 -14.684 1.225 1.345 594 HZ2 LYS 72 1HZ LYS 72 -15.393 0.413 2.647 595 HZ3 LYS 72 2HZ LYS 72 -14.853 -0.453 1.303 596 H LEU 73 H LEU 73 -13.726 -0.026 8.803 597 HA LEU 73 HA LEU 73 -14.399 -2.803 9.031 598 HB2 LEU 73 2HB LEU 73 -12.912 -0.910 10.885 599 HB3 LEU 73 1HB LEU 73 -13.202 -2.593 11.312 600 HG LEU 73 HG LEU 73 -11.627 -1.660 8.881 601 HD11 LEU 73 1HD1 LEU 73 -10.616 -2.854 11.485 602 HD12 LEU 73 2HD1 LEU 73 -10.402 -1.186 10.946 603 HD13 LEU 73 3HD1 LEU 73 -9.636 -2.501 10.057 604 HD21 LEU 73 3HD2 LEU 73 -12.754 -3.775 8.441 605 HD22 LEU 73 1HD2 LEU 73 -12.130 -4.458 9.945 606 HD23 LEU 73 2HD2 LEU 73 -11.029 -4.046 8.634 607 H GLU 74 H GLU 74 -15.462 0.134 10.594 608 HA GLU 74 HA GLU 74 -17.086 -1.085 12.594 609 HB2 GLU 74 2HB GLU 74 -16.981 1.722 11.420 610 HB3 GLU 74 1HB GLU 74 -18.161 1.266 12.649 611 HG2 GLU 74 2HG GLU 74 -16.306 0.642 14.179 612 HG3 GLU 74 1HG GLU 74 -15.147 1.165 12.955 613 H HIS 75 H HIS 75 -18.013 0.712 9.627 614 HA HIS 75 HA HIS 75 -19.787 0.671 8.234 615 HB2 HIS 75 2HB HIS 75 -18.868 -1.714 7.865 616 HB3 HIS 75 1HB HIS 75 -20.122 -2.284 8.955 617 HD1 HIS 75 HD1 HIS 75 -20.173 -3.476 6.267 618 HD2 HIS 75 HD2 HIS 75 -22.086 0.125 7.037 619 HE1 HIS 75 HE1 HIS 75 -21.910 -3.242 4.475 620 HE2 HIS 75 HE2 HIS 75 -23.172 -1.155 5.081 621 H HIS 76 H HIS 76 -20.097 1.546 10.812 622 HA HIS 76 HA HIS 76 -22.575 0.545 11.965 623 HB2 HIS 76 2HB HIS 76 -20.617 2.702 12.868 624 HB3 HIS 76 1HB HIS 76 -22.095 2.301 13.738 625 HD1 HIS 76 HD1 HIS 76 -19.111 1.968 14.807 626 HD2 HIS 76 HD2 HIS 76 -21.569 -1.058 13.372 627 HE1 HIS 76 HE1 HIS 76 -18.248 -0.146 15.838 628 HE2 HIS 76 HE2 HIS 76 -19.810 -1.945 15.044 629 H HIS 77 H HIS 77 -24.352 1.197 11.025 630 HA HIS 77 HA HIS 77 -24.763 3.996 10.180 631 HB2 HIS 77 2HB HIS 77 -26.927 3.063 9.213 632 HB3 HIS 77 1HB HIS 77 -25.461 2.422 8.484 633 HD1 HIS 77 HD1 HIS 77 -28.292 1.407 10.783 634 HD2 HIS 77 HD2 HIS 77 -25.097 -0.327 8.747 635 HE1 HIS 77 HE1 HIS 77 -28.657 -1.076 10.932 636 HE2 HIS 77 HE2 HIS 77 -26.709 -2.103 9.712 637 H HIS 78 H HIS 78 -27.378 4.441 10.679 638 HA HIS 78 HA HIS 78 -27.499 4.812 13.483 639 HB2 HIS 78 2HB HIS 78 -29.710 5.773 13.168 640 HB3 HIS 78 1HB HIS 78 -28.622 6.378 11.931 641 HD1 HIS 78 HD1 HIS 78 -31.870 4.781 12.402 642 HD2 HIS 78 HD2 HIS 78 -29.135 5.170 9.301 643 HE1 HIS 78 HE1 HIS 78 -33.154 4.272 10.308 644 HE2 HIS 78 HE2 HIS 78 -31.510 4.610 8.441 645 H HIS 79 H HIS 79 -27.325 2.947 14.541 646 HA HIS 79 HA HIS 79 -29.314 0.786 14.283 647 HB2 HIS 79 2HB HIS 79 -26.897 0.171 14.366 648 HB3 HIS 79 1HB HIS 79 -26.727 0.994 15.907 649 HD1 HIS 79 HD1 HIS 79 -27.730 -2.217 14.401 650 HD2 HIS 79 HD2 HIS 79 -27.948 -0.401 18.129 651 HE1 HIS 79 HE1 HIS 79 -28.204 -4.074 16.023 652 HE2 HIS 79 HE2 HIS 79 -28.310 -2.958 18.276 653 H HIS 80 H HIS 80 -30.995 0.807 15.641 654 HA HIS 80 HA HIS 80 -31.356 2.835 17.634 655 HB2 HIS 80 2HB HIS 80 -33.273 2.062 16.344 656 HB3 HIS 80 1HB HIS 80 -33.067 0.416 16.925 657 HD1 HIS 80 HD1 HIS 80 -34.044 3.850 18.213 658 HD2 HIS 80 HD2 HIS 80 -34.393 -0.151 19.280 659 HE1 HIS 80 HE1 HIS 80 -35.557 3.818 20.216 660 HE2 HIS 80 HE2 HIS 80 -35.612 1.413 20.944 661 H1 MET 1 1H MET 1 1.960 -14.833 -17.134 662 H2 MET 1 2H MET 1 2.598 -13.417 -17.801 663 H3 MET 1 3H MET 1 1.827 -14.547 -18.791 664 HA MET 1 HA MET 1 -0.247 -14.167 -17.727 665 HB2 MET 1 2HB MET 1 1.325 -12.163 -16.059 666 HB3 MET 1 1HB MET 1 -0.433 -12.174 -16.138 667 HG2 MET 1 2HG MET 1 0.318 -13.291 -14.123 668 HG3 MET 1 1HG MET 1 -0.451 -14.459 -15.199 669 HE1 MET 1 3HE MET 1 2.322 -16.649 -13.466 670 HE2 MET 1 1HE MET 1 0.601 -16.502 -13.825 671 HE3 MET 1 2HE MET 1 1.372 -15.371 -12.710 672 H ALA 2 H ALA 2 1.556 -11.071 -17.814 673 HA ALA 2 HA ALA 2 0.813 -10.511 -20.548 674 HB1 ALA 2 3HB ALA 2 -1.297 -9.956 -19.390 675 HB2 ALA 2 1HB ALA 2 -0.529 -8.497 -20.023 676 HB3 ALA 2 2HB ALA 2 -0.429 -8.874 -18.301 677 H ASP 3 H ASP 3 2.351 -9.193 -21.422 678 HA ASP 3 HA ASP 3 4.620 -8.211 -20.025 679 HB2 ASP 3 2HB ASP 3 4.767 -8.645 -22.422 680 HB3 ASP 3 1HB ASP 3 3.469 -7.508 -22.771 681 H LYS 4 H LYS 4 1.777 -6.638 -21.310 682 HA LYS 4 HA LYS 4 2.110 -4.291 -19.529 683 HB2 LYS 4 2HB LYS 4 1.857 -3.703 -21.913 684 HB3 LYS 4 1HB LYS 4 0.384 -4.661 -22.029 685 HG2 LYS 4 2HG LYS 4 -0.732 -3.133 -20.426 686 HG3 LYS 4 1HG LYS 4 0.742 -2.166 -20.323 687 HD2 LYS 4 2HD LYS 4 -0.940 -2.596 -22.827 688 HD3 LYS 4 1HD LYS 4 -0.921 -1.138 -21.834 689 HE2 LYS 4 2HE LYS 4 1.388 -2.244 -23.472 690 HE3 LYS 4 1HE LYS 4 0.450 -0.794 -23.822 691 HZ1 LYS 4 3HZ LYS 4 2.273 -1.213 -21.513 692 HZ2 LYS 4 1HZ LYS 4 1.290 0.150 -21.722 693 HZ3 LYS 4 2HZ LYS 4 2.520 -0.184 -22.829 694 H LEU 5 H LEU 5 0.744 -4.232 -17.786 695 HA LEU 5 HA LEU 5 -1.096 -6.469 -17.428 696 HB2 LEU 5 2HB LEU 5 -0.479 -4.211 -15.476 697 HB3 LEU 5 1HB LEU 5 -1.388 -5.680 -15.132 698 HG LEU 5 HG LEU 5 1.598 -5.465 -15.685 699 HD11 LEU 5 1HD1 LEU 5 0.092 -6.385 -13.211 700 HD12 LEU 5 2HD1 LEU 5 0.910 -4.832 -13.408 701 HD13 LEU 5 3HD1 LEU 5 1.850 -6.321 -13.399 702 HD21 LEU 5 3HD2 LEU 5 1.742 -7.907 -15.365 703 HD22 LEU 5 1HD2 LEU 5 0.776 -7.508 -16.785 704 HD23 LEU 5 2HD2 LEU 5 -0.018 -8.014 -15.291 705 H LYS 6 H LYS 6 -3.280 -6.170 -16.904 706 HA LYS 6 HA LYS 6 -4.530 -3.820 -18.228 707 HB2 LYS 6 2HB LYS 6 -5.672 -6.639 -17.881 708 HB3 LYS 6 1HB LYS 6 -6.454 -5.306 -18.713 709 HG2 LYS 6 2HG LYS 6 -3.944 -6.766 -19.581 710 HG3 LYS 6 1HG LYS 6 -5.537 -6.857 -20.340 711 HD2 LYS 6 2HD LYS 6 -3.749 -4.387 -20.217 712 HD3 LYS 6 1HD LYS 6 -4.001 -5.411 -21.631 713 HE2 LYS 6 2HE LYS 6 -6.316 -4.734 -21.793 714 HE3 LYS 6 1HE LYS 6 -6.237 -3.889 -20.248 715 HZ1 LYS 6 3HZ LYS 6 -4.674 -2.335 -21.211 716 HZ2 LYS 6 1HZ LYS 6 -6.111 -2.366 -22.104 717 HZ3 LYS 6 2HZ LYS 6 -4.735 -3.146 -22.693 718 H PHE 7 H PHE 7 -6.246 -2.762 -17.009 719 HA PHE 7 HA PHE 7 -6.919 -3.882 -14.388 720 HB2 PHE 7 2HB PHE 7 -6.348 -1.732 -13.274 721 HB3 PHE 7 1HB PHE 7 -4.921 -2.457 -13.999 722 HD1 PHE 7 HD1 PHE 7 -3.989 -1.499 -16.164 723 HD2 PHE 7 HD2 PHE 7 -7.106 0.458 -13.979 724 HE1 PHE 7 HE1 PHE 7 -3.562 0.583 -17.404 725 HE2 PHE 7 HE2 PHE 7 -6.666 2.523 -15.220 726 HZ PHE 7 HZ PHE 7 -4.899 2.597 -16.933 727 H GLU 8 H GLU 8 -8.974 -3.236 -13.674 728 HA GLU 8 HA GLU 8 -10.204 -0.871 -14.940 729 HB2 GLU 8 2HB GLU 8 -11.213 -2.913 -16.033 730 HB3 GLU 8 1HB GLU 8 -11.732 -3.477 -14.447 731 HG2 GLU 8 2HG GLU 8 -13.126 -1.418 -14.205 732 HG3 GLU 8 1HG GLU 8 -12.653 -0.927 -15.828 733 H ILE 9 H ILE 9 -11.075 0.447 -13.415 734 HA ILE 9 HA ILE 9 -10.679 -0.274 -10.616 735 HB ILE 9 HB ILE 9 -11.523 2.389 -11.865 736 HG12 ILE 9 2HG1 ILE 9 -8.814 1.429 -10.790 737 HG13 ILE 9 1HG1 ILE 9 -9.210 1.679 -12.486 738 HG21 ILE 9 1HG2 ILE 9 -10.693 1.781 -8.984 739 HG22 ILE 9 2HG2 ILE 9 -12.325 2.183 -9.521 740 HG23 ILE 9 3HG2 ILE 9 -11.044 3.385 -9.640 741 HD11 ILE 9 3HD1 ILE 9 -7.866 3.478 -11.647 742 HD12 ILE 9 1HD1 ILE 9 -9.023 3.796 -10.357 743 HD13 ILE 9 2HD1 ILE 9 -9.475 4.081 -12.040 744 H ILE 10 H ILE 10 -12.231 -1.277 -9.641 745 HA ILE 10 HA ILE 10 -14.952 -1.433 -10.713 746 HB ILE 10 HB ILE 10 -13.725 -3.045 -8.412 747 HG12 ILE 10 2HG1 ILE 10 -12.324 -3.443 -10.386 748 HG13 ILE 10 1HG1 ILE 10 -13.309 -4.869 -10.093 749 HG21 ILE 10 1HG2 ILE 10 -16.179 -3.133 -8.480 750 HG22 ILE 10 2HG2 ILE 10 -15.502 -4.696 -8.934 751 HG23 ILE 10 3HG2 ILE 10 -16.144 -3.621 -10.178 752 HD11 ILE 10 3HD1 ILE 10 -14.828 -4.157 -11.911 753 HD12 ILE 10 1HD1 ILE 10 -13.173 -4.417 -12.459 754 HD13 ILE 10 2HD1 ILE 10 -13.773 -2.777 -12.226 755 H GLU 11 H GLU 11 -13.131 -0.347 -7.876 756 HA GLU 11 HA GLU 11 -15.293 1.432 -7.103 757 HB2 GLU 11 2HB GLU 11 -15.896 -0.616 -5.835 758 HB3 GLU 11 1HB GLU 11 -14.276 -0.700 -5.160 759 HG2 GLU 11 2HG GLU 11 -15.850 0.161 -3.514 760 HG3 GLU 11 1HG GLU 11 -14.659 1.392 -3.929 761 H GLU 12 H GLU 12 -14.518 3.196 -6.003 762 HA GLU 12 HA GLU 12 -11.617 3.392 -5.402 763 HB2 GLU 12 2HB GLU 12 -13.719 5.610 -5.567 764 HB3 GLU 12 1HB GLU 12 -11.977 5.831 -5.392 765 HG2 GLU 12 2HG GLU 12 -11.588 4.947 -7.630 766 HG3 GLU 12 1HG GLU 12 -13.295 4.540 -7.799 767 H LEU 13 H LEU 13 -11.076 3.115 -3.285 768 HA LEU 13 HA LEU 13 -13.288 2.890 -1.326 769 HB2 LEU 13 2HB LEU 13 -10.376 2.027 -1.060 770 HB3 LEU 13 1HB LEU 13 -11.635 1.741 0.134 771 HG LEU 13 HG LEU 13 -11.540 0.538 -2.666 772 HD11 LEU 13 1HD1 LEU 13 -9.849 -0.440 -1.185 773 HD12 LEU 13 2HD1 LEU 13 -11.122 -1.604 -1.528 774 HD13 LEU 13 3HD1 LEU 13 -11.081 -0.781 0.034 775 HD21 LEU 13 3HD2 LEU 13 -13.485 -0.811 -1.980 776 HD22 LEU 13 1HD2 LEU 13 -13.861 0.910 -1.955 777 HD23 LEU 13 2HD2 LEU 13 -13.557 0.054 -0.443 778 H ILE 14 H ILE 14 -9.971 4.244 -1.380 779 HA ILE 14 HA ILE 14 -10.753 6.461 0.397 780 HB ILE 14 HB ILE 14 -8.346 4.650 1.032 781 HG12 ILE 14 2HG1 ILE 14 -10.993 4.704 2.573 782 HG13 ILE 14 1HG1 ILE 14 -10.509 3.422 1.471 783 HG21 ILE 14 1HG2 ILE 14 -8.099 6.990 1.774 784 HG22 ILE 14 2HG2 ILE 14 -8.255 5.919 3.162 785 HG23 ILE 14 3HG2 ILE 14 -9.630 6.900 2.651 786 HD11 ILE 14 3HD1 ILE 14 -10.150 2.798 3.772 787 HD12 ILE 14 1HD1 ILE 14 -9.094 4.187 4.011 788 HD13 ILE 14 2HD1 ILE 14 -8.615 2.892 2.909 789 H VAL 15 H VAL 15 -9.958 8.234 -0.718 790 HA VAL 15 HA VAL 15 -7.408 8.057 -2.176 791 HB VAL 15 HB VAL 15 -9.306 10.446 -1.881 792 HG11 VAL 15 1HG1 VAL 15 -6.880 10.101 -3.705 793 HG12 VAL 15 2HG1 VAL 15 -6.981 11.166 -2.301 794 HG13 VAL 15 3HG1 VAL 15 -7.992 11.474 -3.710 795 HG21 VAL 15 3HG2 VAL 15 -9.965 9.970 -4.227 796 HG22 VAL 15 1HG2 VAL 15 -10.350 8.616 -3.164 797 HG23 VAL 15 2HG2 VAL 15 -8.947 8.528 -4.232 798 H LEU 16 H LEU 16 -5.568 8.577 -1.204 799 HA LEU 16 HA LEU 16 -5.579 9.397 1.608 800 HB2 LEU 16 2HB LEU 16 -3.300 8.359 -0.126 801 HB3 LEU 16 1HB LEU 16 -3.247 8.589 1.620 802 HG LEU 16 HG LEU 16 -4.990 6.582 0.135 803 HD11 LEU 16 1HD1 LEU 16 -2.664 5.876 0.172 804 HD12 LEU 16 2HD1 LEU 16 -3.619 4.863 1.254 805 HD13 LEU 16 3HD1 LEU 16 -2.580 6.129 1.919 806 HD21 LEU 16 3HD2 LEU 16 -5.658 5.781 2.364 807 HD22 LEU 16 1HD2 LEU 16 -6.169 7.442 2.076 808 HD23 LEU 16 2HD2 LEU 16 -4.773 7.115 3.106 809 H SER 17 H SER 17 -4.786 10.625 -1.507 810 HA SER 17 HA SER 17 -4.302 13.237 -0.781 811 HB2 SER 17 2HB SER 17 -2.175 12.339 0.231 812 HB3 SER 17 1HB SER 17 -1.681 11.778 -1.365 813 HG SER 17 HG SER 17 -1.594 14.284 -0.284 814 H GLU 18 H GLU 18 -3.493 14.475 -2.578 815 HA GLU 18 HA GLU 18 -3.866 13.357 -5.275 816 HB2 GLU 18 2HB GLU 18 -6.026 14.334 -4.592 817 HB3 GLU 18 1HB GLU 18 -5.243 15.843 -4.134 818 HG2 GLU 18 2HG GLU 18 -4.625 16.249 -6.481 819 HG3 GLU 18 1HG GLU 18 -5.373 14.726 -6.956 820 H ASN 19 H ASN 19 -2.600 14.357 -6.864 821 HA ASN 19 HA ASN 19 -0.365 15.995 -5.782 822 HB2 ASN 19 2HB ASN 19 -0.033 13.899 -7.229 823 HB3 ASN 19 1HB ASN 19 -0.620 14.835 -8.591 824 HD21 ASN 19 1HD2 ASN 19 1.912 13.544 -8.264 825 HD22 ASN 19 2HD2 ASN 19 3.124 14.762 -8.421 826 H ALA 20 H ALA 20 0.318 17.977 -6.891 827 HA ALA 20 HA ALA 20 -1.603 19.793 -7.848 828 HB1 ALA 20 3HB ALA 20 1.374 19.715 -8.454 829 HB2 ALA 20 1HB ALA 20 0.627 20.477 -7.048 830 HB3 ALA 20 2HB ALA 20 0.318 21.116 -8.662 831 H LYS 21 H LYS 21 0.524 17.540 -9.577 832 HA LYS 21 HA LYS 21 -0.462 17.991 -12.230 833 HB2 LYS 21 2HB LYS 21 0.815 15.447 -11.132 834 HB3 LYS 21 1HB LYS 21 0.745 15.951 -12.821 835 HG2 LYS 21 2HG LYS 21 2.324 17.305 -10.604 836 HG3 LYS 21 1HG LYS 21 2.984 16.297 -11.898 837 HD2 LYS 21 2HD LYS 21 2.309 17.943 -13.580 838 HD3 LYS 21 1HD LYS 21 1.504 18.923 -12.351 839 HE2 LYS 21 2HE LYS 21 3.676 19.885 -12.950 840 HE3 LYS 21 1HE LYS 21 3.675 19.360 -11.268 841 HZ1 LYS 21 3HZ LYS 21 5.709 18.784 -12.488 842 HZ2 LYS 21 1HZ LYS 21 4.811 17.786 -13.514 843 HZ3 LYS 21 2HZ LYS 21 4.924 17.424 -11.865 844 H GLY 22 H GLY 22 -1.671 16.318 -9.523 845 HA2 GLY 22 2HA GLY 22 -4.067 15.960 -9.440 846 HA3 GLY 22 1HA GLY 22 -3.959 15.194 -11.022 847 H TRP 23 H TRP 23 -1.405 13.858 -10.245 848 HA TRP 23 HA TRP 23 -2.343 11.326 -9.989 849 HB2 TRP 23 2HB TRP 23 0.340 12.459 -9.142 850 HB3 TRP 23 1HB TRP 23 0.009 10.734 -9.073 851 HD1 TRP 23 HD1 TRP 23 -0.186 13.527 -11.809 852 HE1 TRP 23 HE1 TRP 23 0.664 12.519 -14.005 853 HE3 TRP 23 HE3 TRP 23 0.719 8.737 -10.218 854 HZ2 TRP 23 HZ2 TRP 23 1.611 10.023 -14.964 855 HZ3 TRP 23 HZ3 TRP 23 1.610 7.103 -11.835 856 HH2 TRP 23 HH2 TRP 23 2.047 7.734 -14.160 857 H ARG 24 H ARG 24 -3.585 10.410 -8.432 858 HA ARG 24 HA ARG 24 -3.410 11.389 -5.654 859 HB2 ARG 24 2HB ARG 24 -5.634 9.820 -7.028 860 HB3 ARG 24 1HB ARG 24 -5.635 10.326 -5.341 861 HG2 ARG 24 2HG ARG 24 -5.671 12.667 -6.027 862 HG3 ARG 24 1HG ARG 24 -5.632 12.206 -7.711 863 HD2 ARG 24 2HD ARG 24 -7.876 12.044 -5.721 864 HD3 ARG 24 1HD ARG 24 -7.916 12.592 -7.397 865 HE ARG 24 HE ARG 24 -7.408 9.778 -7.198 866 HH11 ARG 24 1HH1 ARG 24 -10.053 12.109 -7.140 867 HH12 ARG 24 2HH1 ARG 24 -11.233 10.929 -7.601 868 HH21 ARG 24 1HH2 ARG 24 -8.978 8.248 -7.615 869 HH22 ARG 24 2HH2 ARG 24 -10.623 8.740 -7.866 870 H LYS 25 H LYS 25 -2.607 10.029 -4.135 871 HA LYS 25 HA LYS 25 -2.135 7.212 -4.875 872 HB2 LYS 25 2HB LYS 25 -0.879 6.997 -2.795 873 HB3 LYS 25 1HB LYS 25 -0.269 8.320 -3.773 874 HG2 LYS 25 2HG LYS 25 -1.314 9.947 -2.278 875 HG3 LYS 25 1HG LYS 25 -2.045 8.644 -1.335 876 HD2 LYS 25 2HD LYS 25 -0.061 9.451 -0.182 877 HD3 LYS 25 1HD LYS 25 0.222 7.808 -0.752 878 HE2 LYS 25 2HE LYS 25 2.199 9.211 -1.127 879 HE3 LYS 25 1HE LYS 25 1.511 8.693 -2.668 880 HZ1 LYS 25 3HZ LYS 25 0.501 10.832 -2.934 881 HZ2 LYS 25 1HZ LYS 25 2.144 11.052 -2.629 882 HZ3 LYS 25 2HZ LYS 25 1.014 11.334 -1.407 883 H GLU 26 H GLU 26 -3.801 5.944 -4.660 884 HA GLU 26 HA GLU 26 -5.695 6.298 -2.433 885 HB2 GLU 26 2HB GLU 26 -7.572 6.022 -4.031 886 HB3 GLU 26 1HB GLU 26 -6.610 7.458 -4.366 887 HG2 GLU 26 2HG GLU 26 -5.393 6.042 -6.151 888 HG3 GLU 26 1HG GLU 26 -6.685 4.862 -5.934 889 H LEU 27 H LEU 27 -6.613 4.567 -1.674 890 HA LEU 27 HA LEU 27 -5.995 1.876 -2.585 891 HB2 LEU 27 2HB LEU 27 -6.013 2.394 -0.173 892 HB3 LEU 27 1HB LEU 27 -7.672 2.964 -0.284 893 HG LEU 27 HG LEU 27 -8.384 0.625 -0.888 894 HD11 LEU 27 1HD1 LEU 27 -5.524 -0.148 -0.208 895 HD12 LEU 27 2HD1 LEU 27 -6.301 -0.281 -1.788 896 HD13 LEU 27 3HD1 LEU 27 -6.867 -1.270 -0.446 897 HD21 LEU 27 3HD2 LEU 27 -8.250 -0.240 1.400 898 HD22 LEU 27 1HD2 LEU 27 -8.595 1.487 1.399 899 HD23 LEU 27 2HD2 LEU 27 -6.970 0.912 1.783 900 H ASN 28 H ASN 28 -7.198 1.075 -4.140 901 HA ASN 28 HA ASN 28 -10.117 1.529 -4.293 902 HB2 ASN 28 2HB ASN 28 -9.790 1.408 -6.871 903 HB3 ASN 28 1HB ASN 28 -9.347 2.903 -6.066 904 HD21 ASN 28 1HD2 ASN 28 -7.170 0.101 -5.931 905 HD22 ASN 28 2HD2 ASN 28 -5.992 0.756 -6.998 906 H ARG 29 H ARG 29 -11.271 -0.259 -5.478 907 HA ARG 29 HA ARG 29 -9.881 -2.856 -5.308 908 HB2 ARG 29 2HB ARG 29 -12.844 -2.126 -5.458 909 HB3 ARG 29 1HB ARG 29 -12.261 -3.762 -5.764 910 HG2 ARG 29 2HG ARG 29 -11.273 -3.801 -3.467 911 HG3 ARG 29 1HG ARG 29 -11.992 -2.216 -3.167 912 HD2 ARG 29 2HD ARG 29 -13.339 -4.117 -2.242 913 HD3 ARG 29 1HD ARG 29 -14.232 -3.124 -3.397 914 HE ARG 29 HE ARG 29 -14.288 -4.889 -4.897 915 HH11 ARG 29 1HH1 ARG 29 -12.263 -5.823 -2.199 916 HH12 ARG 29 2HH1 ARG 29 -12.205 -7.490 -2.659 917 HH21 ARG 29 1HH2 ARG 29 -14.172 -7.077 -5.506 918 HH22 ARG 29 2HH2 ARG 29 -13.284 -8.198 -4.528 919 H VAL 30 H VAL 30 -9.076 -3.575 -7.147 920 HA VAL 30 HA VAL 30 -10.117 -2.634 -9.767 921 HB VAL 30 HB VAL 30 -7.185 -2.943 -8.892 922 HG11 VAL 30 1HG1 VAL 30 -7.396 -3.718 -11.210 923 HG12 VAL 30 2HG1 VAL 30 -6.544 -2.176 -11.165 924 HG13 VAL 30 3HG1 VAL 30 -8.240 -2.234 -11.662 925 HG21 VAL 30 3HG2 VAL 30 -8.202 -0.843 -8.115 926 HG22 VAL 30 1HG2 VAL 30 -8.730 -0.459 -9.755 927 HG23 VAL 30 2HG2 VAL 30 -7.007 -0.513 -9.367 928 H SER 31 H SER 31 -9.977 -4.136 -11.486 929 HA SER 31 HA SER 31 -9.416 -6.959 -10.810 930 HB2 SER 31 2HB SER 31 -10.768 -7.446 -12.899 931 HB3 SER 31 1HB SER 31 -11.707 -6.626 -11.650 932 HG SER 31 HG SER 31 -12.155 -5.497 -13.446 933 H TRP 32 H TRP 32 -7.473 -7.641 -11.538 934 HA TRP 32 HA TRP 32 -6.029 -6.070 -13.586 935 HB2 TRP 32 2HB TRP 32 -5.053 -7.934 -11.386 936 HB3 TRP 32 1HB TRP 32 -4.000 -7.384 -12.683 937 HD1 TRP 32 HD1 TRP 32 -5.444 -6.253 -9.359 938 HE1 TRP 32 HE1 TRP 32 -4.370 -3.983 -8.743 939 HE3 TRP 32 HE3 TRP 32 -3.260 -5.106 -13.847 940 HZ2 TRP 32 HZ2 TRP 32 -2.932 -1.941 -10.011 941 HZ3 TRP 32 HZ3 TRP 32 -2.059 -2.970 -14.063 942 HH2 TRP 32 HH2 TRP 32 -1.899 -1.415 -12.181 943 H ASN 33 H ASN 33 -5.616 -6.941 -15.520 944 HA ASN 33 HA ASN 33 -5.528 -8.288 -17.319 945 HB2 ASN 33 2HB ASN 33 -4.473 -10.145 -15.155 946 HB3 ASN 33 1HB ASN 33 -4.544 -10.655 -16.841 947 HD21 ASN 33 1HD2 ASN 33 -2.197 -10.332 -15.149 948 HD22 ASN 33 2HD2 ASN 33 -1.194 -9.175 -15.940 949 H ASP 34 H ASP 34 -8.045 -7.970 -16.218 950 HA ASP 34 HA ASP 34 -10.178 -8.671 -16.187 951 HB2 ASP 34 2HB ASP 34 -9.609 -9.016 -18.621 952 HB3 ASP 34 1HB ASP 34 -9.254 -10.704 -18.270 953 H ALA 35 H ALA 35 -8.282 -9.940 -14.337 954 HA ALA 35 HA ALA 35 -9.409 -12.593 -13.788 955 HB1 ALA 35 3HB ALA 35 -7.672 -12.760 -12.067 956 HB2 ALA 35 1HB ALA 35 -7.207 -11.078 -12.346 957 HB3 ALA 35 2HB ALA 35 -6.962 -12.283 -13.609 958 H GLU 36 H GLU 36 -9.678 -12.961 -11.348 959 HA GLU 36 HA GLU 36 -12.004 -11.723 -10.445 960 HB2 GLU 36 2HB GLU 36 -9.945 -13.257 -8.808 961 HB3 GLU 36 1HB GLU 36 -11.574 -12.861 -8.257 962 HG2 GLU 36 2HG GLU 36 -12.515 -14.185 -10.135 963 HG3 GLU 36 1HG GLU 36 -10.878 -14.618 -10.630 964 HA PRO 37 HA PRO 37 -10.422 -7.755 -9.084 965 HB2 PRO 37 2HB PRO 37 -12.638 -6.845 -7.698 966 HB3 PRO 37 1HB PRO 37 -12.565 -6.911 -9.473 967 HG2 PRO 37 2HG PRO 37 -13.786 -8.893 -7.567 968 HG3 PRO 37 1HG PRO 37 -14.462 -8.205 -9.065 969 HD2 PRO 37 2HD PRO 37 -13.352 -10.654 -9.063 970 HD3 PRO 37 1HD PRO 37 -13.142 -9.557 -10.445 971 H LYS 38 H LYS 38 -9.345 -6.953 -7.380 972 HA LYS 38 HA LYS 38 -9.810 -7.837 -4.639 973 HB2 LYS 38 2HB LYS 38 -7.424 -8.428 -4.273 974 HB3 LYS 38 1HB LYS 38 -8.193 -9.507 -5.435 975 HG2 LYS 38 2HG LYS 38 -7.084 -8.358 -7.296 976 HG3 LYS 38 1HG LYS 38 -6.395 -7.171 -6.183 977 HD2 LYS 38 2HD LYS 38 -4.716 -8.862 -6.801 978 HD3 LYS 38 1HD LYS 38 -5.078 -8.942 -5.076 979 HE2 LYS 38 2HE LYS 38 -6.571 -10.873 -5.492 980 HE3 LYS 38 1HE LYS 38 -6.186 -10.797 -7.213 981 HZ1 LYS 38 3HZ LYS 38 -3.894 -11.291 -6.692 982 HZ2 LYS 38 1HZ LYS 38 -4.900 -12.482 -6.043 983 HZ3 LYS 38 2HZ LYS 38 -4.232 -11.302 -5.034 984 H TYR 39 H TYR 39 -7.925 -6.664 -3.284 985 HA TYR 39 HA TYR 39 -8.481 -3.864 -3.681 986 HB2 TYR 39 2HB TYR 39 -6.748 -5.184 -1.543 987 HB3 TYR 39 1HB TYR 39 -7.498 -3.587 -1.476 988 HD1 TYR 39 HD2 TYR 39 -9.946 -3.374 -1.046 989 HD2 TYR 39 HD1 TYR 39 -8.081 -7.220 -1.149 990 HE1 TYR 39 HE2 TYR 39 -11.932 -4.370 -0.006 991 HE2 TYR 39 HE1 TYR 39 -10.073 -8.217 -0.118 992 HH TYR 39 HH TYR 39 -11.968 -7.538 1.253 993 H ASP 40 H ASP 40 -7.076 -2.374 -4.241 994 HA ASP 40 HA ASP 40 -4.230 -2.965 -4.772 995 HB2 ASP 40 2HB ASP 40 -5.595 -3.096 -6.894 996 HB3 ASP 40 1HB ASP 40 -6.077 -1.419 -6.653 997 H ILE 41 H ILE 41 -2.829 -1.259 -4.375 998 HA ILE 41 HA ILE 41 -3.933 1.344 -3.557 999 HB ILE 41 HB ILE 41 -3.799 0.205 -1.439 1000 HG12 ILE 41 2HG1 ILE 41 -1.371 2.046 -1.694 1001 HG13 ILE 41 1HG1 ILE 41 -3.031 2.582 -1.460 1002 HG21 ILE 41 1HG2 ILE 41 -0.923 -0.550 -2.056 1003 HG22 ILE 41 2HG2 ILE 41 -2.302 -1.647 -2.021 1004 HG23 ILE 41 3HG2 ILE 41 -1.766 -0.862 -0.536 1005 HD11 ILE 41 3HD1 ILE 41 -1.794 2.700 0.605 1006 HD12 ILE 41 1HD1 ILE 41 -1.365 0.994 0.493 1007 HD13 ILE 41 2HD1 ILE 41 -3.049 1.469 0.743 1008 H ARG 42 H ARG 42 -2.924 2.821 -4.627 1009 HA ARG 42 HA ARG 42 -0.129 2.750 -5.447 1010 HB2 ARG 42 2HB ARG 42 -1.010 1.063 -6.993 1011 HB3 ARG 42 1HB ARG 42 -2.329 2.118 -7.478 1012 HG2 ARG 42 2HG ARG 42 -0.835 3.568 -8.682 1013 HG3 ARG 42 1HG ARG 42 0.588 2.760 -8.023 1014 HD2 ARG 42 2HD ARG 42 -1.435 1.345 -9.786 1015 HD3 ARG 42 1HD ARG 42 -0.032 2.202 -10.420 1016 HE ARG 42 HE ARG 42 1.404 0.606 -9.477 1017 HH11 ARG 42 1HH1 ARG 42 -1.939 -0.201 -8.869 1018 HH12 ARG 42 2HH1 ARG 42 -1.596 -1.846 -8.468 1019 HH21 ARG 42 1HH2 ARG 42 1.857 -1.536 -8.903 1020 HH22 ARG 42 2HH2 ARG 42 0.563 -2.613 -8.487 1021 H THR 43 H THR 43 0.407 4.659 -6.971 1022 HA THR 43 HA THR 43 -1.408 6.912 -6.491 1023 HB THR 43 HB THR 43 1.475 6.946 -7.551 1024 HG1 THR 43 HG1 THR 43 1.015 6.255 -5.230 1025 HG21 THR 43 3HG2 THR 43 -0.309 9.185 -6.487 1026 HG22 THR 43 1HG2 THR 43 0.138 8.937 -8.178 1027 HG23 THR 43 2HG2 THR 43 1.373 9.365 -6.995 1028 H TRP 44 H TRP 44 -2.707 7.323 -8.171 1029 HA TRP 44 HA TRP 44 -2.122 6.286 -10.885 1030 HB2 TRP 44 2HB TRP 44 -4.800 6.705 -9.462 1031 HB3 TRP 44 1HB TRP 44 -4.642 6.289 -11.162 1032 HD1 TRP 44 HD1 TRP 44 -4.618 4.706 -7.685 1033 HE1 TRP 44 HE1 TRP 44 -4.638 2.143 -7.960 1034 HE3 TRP 44 HE3 TRP 44 -3.682 4.403 -12.712 1035 HZ2 TRP 44 HZ2 TRP 44 -4.261 0.247 -10.002 1036 HZ3 TRP 44 HZ3 TRP 44 -3.526 2.176 -13.746 1037 HH2 TRP 44 HH2 TRP 44 -3.808 0.139 -12.421 1038 H SER 45 H SER 45 -2.768 7.655 -12.610 1039 HA SER 45 HA SER 45 -2.395 10.463 -12.230 1040 HB2 SER 45 2HB SER 45 -2.997 10.615 -14.660 1041 HB3 SER 45 1HB SER 45 -1.785 9.381 -14.335 1042 HG SER 45 HG SER 45 -3.521 8.753 -15.778 1043 HA PRO 46 HA PRO 46 -6.697 11.914 -11.633 1044 HB2 PRO 46 2HB PRO 46 -6.851 14.125 -13.283 1045 HB3 PRO 46 1HB PRO 46 -5.985 14.133 -11.731 1046 HG2 PRO 46 2HG PRO 46 -4.869 13.759 -14.504 1047 HG3 PRO 46 1HG PRO 46 -4.278 14.797 -13.182 1048 HD2 PRO 46 2HD PRO 46 -3.140 12.411 -13.678 1049 HD3 PRO 46 1HD PRO 46 -3.331 13.002 -12.013 1050 H ASP 47 H ASP 47 -5.449 11.045 -14.738 1051 HA ASP 47 HA ASP 47 -8.066 10.721 -16.027 1052 HB2 ASP 47 2HB ASP 47 -5.265 10.004 -17.026 1053 HB3 ASP 47 1HB ASP 47 -6.739 10.058 -17.993 1054 H HIS 48 H HIS 48 -6.034 8.952 -13.977 1055 HA HIS 48 HA HIS 48 -5.803 6.835 -13.256 1056 HB2 HIS 48 2HB HIS 48 -8.687 6.827 -14.174 1057 HB3 HIS 48 1HB HIS 48 -7.972 5.355 -13.534 1058 HD1 HIS 48 HD1 HIS 48 -10.308 6.637 -12.084 1059 HD2 HIS 48 HD2 HIS 48 -6.346 7.427 -11.197 1060 HE1 HIS 48 HE1 HIS 48 -10.279 7.316 -9.676 1061 HE2 HIS 48 HE2 HIS 48 -7.854 7.502 -9.126 1062 H GLU 49 H GLU 49 -5.221 7.379 -16.249 1063 HA GLU 49 HA GLU 49 -5.346 4.608 -17.296 1064 HB2 GLU 49 2HB GLU 49 -4.795 5.586 -19.488 1065 HB3 GLU 49 1HB GLU 49 -6.224 6.353 -18.802 1066 HG2 GLU 49 2HG GLU 49 -4.802 8.274 -18.071 1067 HG3 GLU 49 1HG GLU 49 -3.417 7.514 -18.850 1068 H LYS 50 H LYS 50 -3.316 6.645 -15.624 1069 HA LYS 50 HA LYS 50 -0.828 5.354 -16.586 1070 HB2 LYS 50 2HB LYS 50 -1.254 8.133 -15.429 1071 HB3 LYS 50 1HB LYS 50 0.329 7.428 -15.659 1072 HG2 LYS 50 2HG LYS 50 -1.429 7.580 -18.083 1073 HG3 LYS 50 1HG LYS 50 -0.845 9.108 -17.432 1074 HD2 LYS 50 2HD LYS 50 0.725 8.432 -19.103 1075 HD3 LYS 50 1HD LYS 50 1.500 8.190 -17.542 1076 HE2 LYS 50 2HE LYS 50 0.863 5.748 -17.709 1077 HE3 LYS 50 1HE LYS 50 0.333 6.065 -19.363 1078 HZ1 LYS 50 3HZ LYS 50 3.075 6.462 -18.293 1079 HZ2 LYS 50 1HZ LYS 50 2.588 6.800 -19.880 1080 HZ3 LYS 50 2HZ LYS 50 2.575 5.210 -19.310 1081 H MET 51 H MET 51 0.364 4.353 -15.080 1082 HA MET 51 HA MET 51 -0.537 4.361 -12.252 1083 HB2 MET 51 2HB MET 51 0.042 1.987 -12.134 1084 HB3 MET 51 1HB MET 51 -1.099 2.238 -13.441 1085 HG2 MET 51 2HG MET 51 0.750 2.097 -15.071 1086 HG3 MET 51 1HG MET 51 1.888 1.839 -13.750 1087 HE1 MET 51 3HE MET 51 -1.438 -1.177 -14.892 1088 HE2 MET 51 1HE MET 51 -1.153 0.327 -15.768 1089 HE3 MET 51 2HE MET 51 -1.784 0.370 -14.121 1090 H GLY 52 H GLY 52 1.178 3.708 -10.711 1091 HA2 GLY 52 2HA GLY 52 3.967 3.749 -11.596 1092 HA3 GLY 52 1HA GLY 52 3.455 5.087 -10.566 1093 H LYS 53 H LYS 53 4.360 4.691 -8.627 1094 HA LYS 53 HA LYS 53 5.050 2.152 -7.609 1095 HB2 LYS 53 2HB LYS 53 4.646 4.711 -5.992 1096 HB3 LYS 53 1HB LYS 53 5.486 3.267 -5.447 1097 HG2 LYS 53 2HG LYS 53 7.291 4.573 -6.028 1098 HG3 LYS 53 1HG LYS 53 7.026 3.727 -7.554 1099 HD2 LYS 53 2HD LYS 53 5.612 5.749 -8.272 1100 HD3 LYS 53 1HD LYS 53 6.231 6.572 -6.837 1101 HE2 LYS 53 2HE LYS 53 7.571 7.215 -8.746 1102 HE3 LYS 53 1HE LYS 53 8.561 6.191 -7.702 1103 HZ1 LYS 53 3HZ LYS 53 7.168 5.366 -10.192 1104 HZ2 LYS 53 1HZ LYS 53 8.007 4.311 -9.172 1105 HZ3 LYS 53 2HZ LYS 53 8.839 5.540 -9.982 1106 H GLY 54 H GLY 54 3.646 0.571 -6.936 1107 HA2 GLY 54 2HA GLY 54 1.803 1.012 -4.846 1108 HA3 GLY 54 1HA GLY 54 0.960 0.872 -6.388 1109 H ILE 55 H ILE 55 0.313 -0.964 -4.683 1110 HA ILE 55 HA ILE 55 1.571 -3.464 -5.547 1111 HB ILE 55 HB ILE 55 2.829 -2.857 -3.519 1112 HG12 ILE 55 2HG1 ILE 55 0.891 -5.164 -2.999 1113 HG13 ILE 55 1HG1 ILE 55 2.425 -5.270 -3.856 1114 HG21 ILE 55 1HG2 ILE 55 1.776 -2.587 -1.308 1115 HG22 ILE 55 2HG2 ILE 55 0.178 -2.762 -2.036 1116 HG23 ILE 55 3HG2 ILE 55 1.186 -1.375 -2.447 1117 HD11 ILE 55 3HD1 ILE 55 2.048 -4.652 -0.931 1118 HD12 ILE 55 1HD1 ILE 55 3.602 -4.721 -1.768 1119 HD13 ILE 55 2HD1 ILE 55 2.607 -6.170 -1.629 1120 H THR 56 H THR 56 0.235 -5.284 -5.257 1121 HA THR 56 HA THR 56 -2.641 -4.723 -5.005 1122 HB THR 56 HB THR 56 -2.091 -7.532 -5.705 1123 HG1 THR 56 HG1 THR 56 -0.629 -7.388 -7.225 1124 HG21 THR 56 3HG2 THR 56 -3.404 -6.986 -7.696 1125 HG22 THR 56 1HG2 THR 56 -3.254 -5.259 -7.357 1126 HG23 THR 56 2HG2 THR 56 -4.163 -6.303 -6.259 1127 H LEU 57 H LEU 57 -3.906 -5.704 -3.505 1128 HA LEU 57 HA LEU 57 -2.746 -7.494 -1.465 1129 HB2 LEU 57 2HB LEU 57 -4.843 -5.317 -0.992 1130 HB3 LEU 57 1HB LEU 57 -4.183 -6.403 0.223 1131 HG LEU 57 HG LEU 57 -2.641 -4.203 -1.214 1132 HD11 LEU 57 1HD1 LEU 57 -3.611 -4.343 1.659 1133 HD12 LEU 57 2HD1 LEU 57 -4.258 -3.301 0.390 1134 HD13 LEU 57 3HD1 LEU 57 -2.611 -3.061 0.965 1135 HD21 LEU 57 3HD2 LEU 57 -0.792 -4.695 0.359 1136 HD22 LEU 57 1HD2 LEU 57 -1.136 -6.069 -0.692 1137 HD23 LEU 57 2HD2 LEU 57 -1.690 -6.079 0.984 1138 H SER 58 H SER 58 -3.934 -9.360 -1.246 1139 HA SER 58 HA SER 58 -6.468 -9.640 -2.724 1140 HB2 SER 58 2HB SER 58 -4.923 -11.800 -1.211 1141 HB3 SER 58 1HB SER 58 -6.194 -12.037 -2.414 1142 HG SER 58 HG SER 58 -3.513 -11.393 -2.733 1143 H GLU 59 H GLU 59 -8.059 -11.200 -1.333 1144 HA GLU 59 HA GLU 59 -9.178 -9.799 0.761 1145 HB2 GLU 59 2HB GLU 59 -9.271 -12.814 0.313 1146 HB3 GLU 59 1HB GLU 59 -10.424 -11.880 1.267 1147 HG2 GLU 59 2HG GLU 59 -11.295 -10.787 -0.660 1148 HG3 GLU 59 1HG GLU 59 -9.968 -11.354 -1.674 1149 H GLU 60 H GLU 60 -6.852 -12.480 0.914 1150 HA GLU 60 HA GLU 60 -6.667 -12.835 3.678 1151 HB2 GLU 60 2HB GLU 60 -4.398 -13.197 1.668 1152 HB3 GLU 60 1HB GLU 60 -4.535 -13.959 3.252 1153 HG2 GLU 60 2HG GLU 60 -6.558 -15.172 2.449 1154 HG3 GLU 60 1HG GLU 60 -6.312 -14.461 0.851 1155 H GLU 61 H GLU 61 -4.428 -10.965 1.575 1156 HA GLU 61 HA GLU 61 -2.785 -10.056 3.677 1157 HB2 GLU 61 2HB GLU 61 -3.111 -8.797 0.924 1158 HB3 GLU 61 1HB GLU 61 -1.811 -8.458 2.063 1159 HG2 GLU 61 2HG GLU 61 -0.720 -9.977 0.766 1160 HG3 GLU 61 1HG GLU 61 -1.440 -11.100 1.906 1161 H PHE 62 H PHE 62 -5.386 -8.383 1.908 1162 HA PHE 62 HA PHE 62 -5.218 -5.940 3.265 1163 HB2 PHE 62 2HB PHE 62 -6.415 -6.332 1.086 1164 HB3 PHE 62 1HB PHE 62 -7.683 -7.179 1.966 1165 HD1 PHE 62 HD2 PHE 62 -5.926 -3.875 1.772 1166 HD2 PHE 62 HD1 PHE 62 -9.518 -5.934 2.832 1167 HE1 PHE 62 HE2 PHE 62 -7.066 -1.734 2.101 1168 HE2 PHE 62 HE1 PHE 62 -10.652 -3.777 3.164 1169 HZ PHE 62 HZ PHE 62 -9.428 -1.675 2.787 1170 H GLY 63 H GLY 63 -7.138 -8.907 3.916 1171 HA2 GLY 63 2HA GLY 63 -8.617 -8.024 6.118 1172 HA3 GLY 63 1HA GLY 63 -8.129 -9.687 5.809 1173 H VAL 64 H VAL 64 -5.428 -9.641 6.050 1174 HA VAL 64 HA VAL 64 -4.928 -9.618 8.830 1175 HB VAL 64 HB VAL 64 -2.979 -9.717 6.485 1176 HG11 VAL 64 1HG1 VAL 64 -2.380 -10.310 9.414 1177 HG12 VAL 64 2HG1 VAL 64 -1.768 -8.939 8.489 1178 HG13 VAL 64 3HG1 VAL 64 -1.271 -10.575 8.061 1179 HG21 VAL 64 3HG2 VAL 64 -2.912 -12.146 6.928 1180 HG22 VAL 64 1HG2 VAL 64 -4.556 -11.614 6.578 1181 HG23 VAL 64 2HG2 VAL 64 -4.075 -11.955 8.241 1182 H LEU 65 H LEU 65 -4.296 -7.239 6.275 1183 HA LEU 65 HA LEU 65 -2.814 -5.343 7.699 1184 HB2 LEU 65 2HB LEU 65 -3.235 -5.391 5.194 1185 HB3 LEU 65 1HB LEU 65 -4.862 -4.814 5.504 1186 HG LEU 65 HG LEU 65 -3.790 -2.737 6.576 1187 HD11 LEU 65 1HD1 LEU 65 -1.278 -3.788 5.238 1188 HD12 LEU 65 2HD1 LEU 65 -1.546 -3.627 6.975 1189 HD13 LEU 65 3HD1 LEU 65 -1.481 -2.189 5.961 1190 HD21 LEU 65 3HD2 LEU 65 -4.815 -2.682 4.341 1191 HD22 LEU 65 1HD2 LEU 65 -3.294 -3.210 3.613 1192 HD23 LEU 65 2HD2 LEU 65 -3.400 -1.636 4.410 1193 H LEU 66 H LEU 66 -6.367 -5.582 7.161 1194 HA LEU 66 HA LEU 66 -7.219 -3.376 8.635 1195 HB2 LEU 66 2HB LEU 66 -8.599 -6.034 8.096 1196 HB3 LEU 66 1HB LEU 66 -9.412 -4.629 8.769 1197 HG LEU 66 HG LEU 66 -8.155 -4.755 6.003 1198 HD11 LEU 66 1HD1 LEU 66 -10.150 -6.177 6.156 1199 HD12 LEU 66 2HD1 LEU 66 -10.449 -4.770 5.139 1200 HD13 LEU 66 3HD1 LEU 66 -11.087 -4.817 6.783 1201 HD21 LEU 66 3HD2 LEU 66 -8.065 -2.482 6.906 1202 HD22 LEU 66 1HD2 LEU 66 -9.787 -2.544 7.297 1203 HD23 LEU 66 2HD2 LEU 66 -9.257 -2.580 5.614 1204 H LYS 67 H LYS 67 -6.737 -6.735 9.628 1205 HA LYS 67 HA LYS 67 -7.738 -6.685 12.251 1206 HB2 LYS 67 2HB LYS 67 -5.545 -8.369 10.960 1207 HB3 LYS 67 1HB LYS 67 -6.169 -8.686 12.577 1208 HG2 LYS 67 2HG LYS 67 -8.292 -9.342 11.762 1209 HG3 LYS 67 1HG LYS 67 -8.004 -8.618 10.179 1210 HD2 LYS 67 2HD LYS 67 -7.877 -11.103 10.126 1211 HD3 LYS 67 1HD LYS 67 -6.375 -10.334 9.615 1212 HE2 LYS 67 2HE LYS 67 -5.850 -12.223 11.033 1213 HE3 LYS 67 1HE LYS 67 -5.437 -10.745 11.897 1214 HZ1 LYS 67 3HZ LYS 67 -7.946 -12.287 12.288 1215 HZ2 LYS 67 1HZ LYS 67 -7.463 -10.926 13.164 1216 HZ3 LYS 67 2HZ LYS 67 -6.596 -12.366 13.298 1217 H GLU 68 H GLU 68 -4.387 -6.498 11.131 1218 HA GLU 68 HA GLU 68 -3.282 -5.977 13.689 1219 HB2 GLU 68 2HB GLU 68 -2.151 -5.814 10.883 1220 HB3 GLU 68 1HB GLU 68 -1.183 -5.488 12.317 1221 HG2 GLU 68 2HG GLU 68 -2.566 -8.100 11.649 1222 HG3 GLU 68 1HG GLU 68 -0.839 -7.768 11.516 1223 H LEU 69 H LEU 69 -4.317 -3.840 11.054 1224 HA LEU 69 HA LEU 69 -3.204 -1.430 12.123 1225 HB2 LEU 69 2HB LEU 69 -5.510 -1.859 10.180 1226 HB3 LEU 69 1HB LEU 69 -4.981 -0.261 10.683 1227 HG LEU 69 HG LEU 69 -3.333 -2.277 9.102 1228 HD11 LEU 69 1HD1 LEU 69 -3.466 -0.643 7.281 1229 HD12 LEU 69 2HD1 LEU 69 -4.496 0.397 8.270 1230 HD13 LEU 69 3HD1 LEU 69 -5.069 -1.195 7.766 1231 HD21 LEU 69 3HD2 LEU 69 -1.620 -0.552 8.933 1232 HD22 LEU 69 1HD2 LEU 69 -1.880 -1.019 10.611 1233 HD23 LEU 69 2HD2 LEU 69 -2.544 0.501 10.007 1234 H GLY 70 H GLY 70 -6.351 -3.043 12.415 1235 HA2 GLY 70 2HA GLY 70 -7.703 -1.216 14.058 1236 HA3 GLY 70 1HA GLY 70 -7.981 -2.956 14.037 1237 H ASN 71 H ASN 71 -5.445 -3.802 14.836 1238 HA ASN 71 HA ASN 71 -5.495 -3.599 17.692 1239 HB2 ASN 71 2HB ASN 71 -3.240 -4.528 15.860 1240 HB3 ASN 71 1HB ASN 71 -3.258 -4.750 17.605 1241 HD21 ASN 71 1HD2 ASN 71 -3.075 -6.751 15.525 1242 HD22 ASN 71 2HD2 ASN 71 -4.410 -7.816 15.774 1243 H LYS 72 H LYS 72 -3.065 -2.420 15.404 1244 HA LYS 72 HA LYS 72 -1.651 -0.582 16.760 1245 HB2 LYS 72 2HB LYS 72 -2.696 -0.177 13.933 1246 HB3 LYS 72 1HB LYS 72 -1.422 0.800 14.662 1247 HG2 LYS 72 2HG LYS 72 -0.019 -1.212 14.919 1248 HG3 LYS 72 1HG LYS 72 -1.294 -2.191 14.200 1249 HD2 LYS 72 2HD LYS 72 0.347 -1.758 12.489 1250 HD3 LYS 72 1HD LYS 72 -1.091 -0.813 12.098 1251 HE2 LYS 72 2HE LYS 72 0.989 0.484 11.758 1252 HE3 LYS 72 1HE LYS 72 -0.024 1.208 13.005 1253 HZ1 LYS 72 3HZ LYS 72 1.356 0.183 14.684 1254 HZ2 LYS 72 1HZ LYS 72 2.294 1.130 13.656 1255 HZ3 LYS 72 2HZ LYS 72 2.310 -0.548 13.502 1256 H LEU 73 H LEU 73 -4.906 0.083 15.506 1257 HA LEU 73 HA LEU 73 -4.962 2.840 16.271 1258 HB2 LEU 73 2HB LEU 73 -7.200 0.944 15.468 1259 HB3 LEU 73 1HB LEU 73 -7.439 2.663 15.764 1260 HG LEU 73 HG LEU 73 -5.738 1.441 13.555 1261 HD11 LEU 73 1HD1 LEU 73 -8.117 1.251 13.080 1262 HD12 LEU 73 2HD1 LEU 73 -7.373 2.437 12.010 1263 HD13 LEU 73 3HD1 LEU 73 -8.345 2.977 13.382 1264 HD21 LEU 73 3HD2 LEU 73 -6.163 4.367 14.226 1265 HD22 LEU 73 1HD2 LEU 73 -5.391 3.760 12.759 1266 HD23 LEU 73 2HD2 LEU 73 -4.649 3.466 14.326 1267 H GLU 74 H GLU 74 -5.929 -0.167 17.828 1268 HA GLU 74 HA GLU 74 -7.239 1.124 20.056 1269 HB2 GLU 74 2HB GLU 74 -6.294 -1.745 19.611 1270 HB3 GLU 74 1HB GLU 74 -7.124 -1.208 21.074 1271 HG2 GLU 74 2HG GLU 74 -9.129 -0.683 19.829 1272 HG3 GLU 74 1HG GLU 74 -8.307 -0.967 18.296 1273 H HIS 75 H HIS 75 -4.377 -1.062 20.110 1274 HA HIS 75 HA HIS 75 -2.791 -1.335 21.703 1275 HB2 HIS 75 2HB HIS 75 -2.383 1.306 20.400 1276 HB3 HIS 75 1HB HIS 75 -1.494 1.129 21.905 1277 HD1 HIS 75 HD1 HIS 75 -1.763 -0.360 18.478 1278 HD2 HIS 75 HD2 HIS 75 0.666 -0.637 21.824 1279 HE1 HIS 75 HE1 HIS 75 0.208 -1.752 17.756 1280 HE2 HIS 75 HE2 HIS 75 1.666 -1.897 19.805 1281 H HIS 76 H HIS 76 -5.308 -0.788 22.819 1282 HA HIS 76 HA HIS 76 -4.832 0.780 25.236 1283 HB2 HIS 76 2HB HIS 76 -7.262 -0.841 24.350 1284 HB3 HIS 76 1HB HIS 76 -7.195 0.199 25.770 1285 HD1 HIS 76 HD1 HIS 76 -8.738 0.309 22.712 1286 HD2 HIS 76 HD2 HIS 76 -6.134 2.963 24.565 1287 HE1 HIS 76 HE1 HIS 76 -9.130 2.523 21.596 1288 HE2 HIS 76 HE2 HIS 76 -7.574 4.125 22.765 1289 H HIS 77 H HIS 77 -3.177 -0.417 26.201 1290 HA HIS 77 HA HIS 77 -3.356 -3.204 26.821 1291 HB2 HIS 77 2HB HIS 77 -1.203 -1.788 26.815 1292 HB3 HIS 77 1HB HIS 77 -1.747 -1.093 28.341 1293 HD1 HIS 77 HD1 HIS 77 -0.346 -2.142 30.129 1294 HD2 HIS 77 HD2 HIS 77 -1.495 -4.918 27.258 1295 HE1 HIS 77 HE1 HIS 77 0.535 -4.351 30.936 1296 HE2 HIS 77 HE2 HIS 77 -0.219 -6.023 29.215 1297 H HIS 78 H HIS 78 -5.332 -3.600 27.672 1298 HA HIS 78 HA HIS 78 -6.977 -1.878 29.062 1299 HB2 HIS 78 2HB HIS 78 -7.077 -4.923 28.972 1300 HB3 HIS 78 1HB HIS 78 -8.399 -3.894 29.515 1301 HD1 HIS 78 HD1 HIS 78 -6.778 -5.211 26.449 1302 HD2 HIS 78 HD2 HIS 78 -9.660 -2.383 27.425 1303 HE1 HIS 78 HE1 HIS 78 -7.931 -4.658 24.293 1304 HE2 HIS 78 HE2 HIS 78 -9.681 -2.959 24.902 1305 H HIS 79 H HIS 79 -6.304 -0.948 30.889 1306 HA HIS 79 HA HIS 79 -4.926 -2.325 33.017 1307 HB2 HIS 79 2HB HIS 79 -6.043 0.516 32.874 1308 HB3 HIS 79 1HB HIS 79 -5.030 -0.103 34.175 1309 HD1 HIS 79 HD1 HIS 79 -4.884 1.198 30.697 1310 HD2 HIS 79 HD2 HIS 79 -2.301 -0.491 33.472 1311 HE1 HIS 79 HE1 HIS 79 -2.581 1.644 29.821 1312 HE2 HIS 79 HE2 HIS 79 -1.034 0.732 31.579 1313 H HIS 80 H HIS 80 -6.162 -3.810 34.018 1314 HA HIS 80 HA HIS 80 -7.588 -4.760 35.427 1315 HB2 HIS 80 2HB HIS 80 -7.047 -2.804 36.877 1316 HB3 HIS 80 1HB HIS 80 -8.383 -1.906 36.173 1317 HD1 HIS 80 HD1 HIS 80 -7.764 -4.995 38.281 1318 HD2 HIS 80 HD2 HIS 80 -10.794 -2.283 37.441 1319 HE1 HIS 80 HE1 HIS 80 -9.633 -5.564 39.849 1320 HE2 HIS 80 HE2 HIS 80 -11.514 -4.035 39.194 Start of MODEL 10 1 H1 MET 1 1H MET 1 13.309 13.583 -9.350 2 H2 MET 1 2H MET 1 12.158 12.467 -8.826 3 H3 MET 1 3H MET 1 12.220 12.904 -10.452 4 HA MET 1 HA MET 1 13.180 10.720 -10.084 5 HB2 MET 1 2HB MET 1 15.161 12.898 -10.887 6 HB3 MET 1 1HB MET 1 15.380 11.185 -11.225 7 HG2 MET 1 2HG MET 1 13.372 11.208 -12.646 8 HG3 MET 1 1HG MET 1 13.152 12.926 -12.298 9 HE1 MET 1 3HE MET 1 13.348 11.638 -15.270 10 HE2 MET 1 1HE MET 1 14.397 12.801 -16.080 11 HE3 MET 1 2HE MET 1 13.108 13.370 -15.023 12 H ALA 2 H ALA 2 15.392 9.703 -9.439 13 HA ALA 2 HA ALA 2 16.322 10.724 -6.807 14 HB1 ALA 2 3HB ALA 2 14.857 8.763 -6.481 15 HB2 ALA 2 1HB ALA 2 16.526 8.375 -6.065 16 HB3 ALA 2 2HB ALA 2 15.846 7.818 -7.596 17 H ASP 3 H ASP 3 18.480 10.986 -6.714 18 HA ASP 3 HA ASP 3 20.272 9.971 -8.797 19 HB2 ASP 3 2HB ASP 3 20.852 11.626 -6.287 20 HB3 ASP 3 1HB ASP 3 22.019 11.260 -7.553 21 H LYS 4 H LYS 4 19.460 9.492 -5.481 22 HA LYS 4 HA LYS 4 20.534 6.871 -5.203 23 HB2 LYS 4 2HB LYS 4 22.685 8.146 -5.070 24 HB3 LYS 4 1HB LYS 4 22.051 9.082 -3.721 25 HG2 LYS 4 2HG LYS 4 21.826 6.877 -2.445 26 HG3 LYS 4 1HG LYS 4 22.727 6.112 -3.755 27 HD2 LYS 4 2HD LYS 4 23.716 8.354 -1.948 28 HD3 LYS 4 1HD LYS 4 24.229 6.668 -1.890 29 HE2 LYS 4 2HE LYS 4 24.691 8.568 -4.215 30 HE3 LYS 4 1HE LYS 4 25.891 8.119 -3.009 31 HZ1 LYS 4 3HZ LYS 4 25.801 5.859 -3.771 32 HZ2 LYS 4 1HZ LYS 4 26.121 6.873 -5.080 33 HZ3 LYS 4 2HZ LYS 4 24.577 6.218 -4.872 34 H LEU 5 H LEU 5 18.897 6.060 -3.997 35 HA LEU 5 HA LEU 5 17.855 7.601 -1.715 36 HB2 LEU 5 2HB LEU 5 16.848 4.976 -2.885 37 HB3 LEU 5 1HB LEU 5 16.131 5.821 -1.519 38 HG LEU 5 HG LEU 5 16.200 6.760 -4.414 39 HD11 LEU 5 1HD1 LEU 5 13.868 6.061 -2.605 40 HD12 LEU 5 2HD1 LEU 5 14.502 5.059 -3.914 41 HD13 LEU 5 3HD1 LEU 5 13.763 6.616 -4.278 42 HD21 LEU 5 3HD2 LEU 5 15.145 8.290 -2.007 43 HD22 LEU 5 1HD2 LEU 5 14.941 8.754 -3.698 44 HD23 LEU 5 2HD2 LEU 5 16.551 8.722 -2.983 45 H LYS 6 H LYS 6 18.260 7.093 0.287 46 HA LYS 6 HA LYS 6 19.811 4.672 0.996 47 HB2 LYS 6 2HB LYS 6 19.379 7.246 2.616 48 HB3 LYS 6 1HB LYS 6 20.329 5.858 3.134 49 HG2 LYS 6 2HG LYS 6 20.960 7.682 0.802 50 HG3 LYS 6 1HG LYS 6 21.768 7.695 2.366 51 HD2 LYS 6 2HD LYS 6 21.793 5.380 0.396 52 HD3 LYS 6 1HD LYS 6 23.096 6.551 0.610 53 HE2 LYS 6 2HE LYS 6 23.507 5.785 2.868 54 HE3 LYS 6 1HE LYS 6 22.079 4.747 2.832 55 HZ1 LYS 6 3HZ LYS 6 24.467 4.425 1.091 56 HZ2 LYS 6 1HZ LYS 6 23.109 3.416 1.118 57 HZ3 LYS 6 2HZ LYS 6 24.127 3.506 2.466 58 H PHE 7 H PHE 7 18.790 3.251 2.575 59 HA PHE 7 HA PHE 7 16.204 4.095 3.642 60 HB2 PHE 7 2HB PHE 7 15.160 1.940 2.932 61 HB3 PHE 7 1HB PHE 7 15.604 2.939 1.558 62 HD1 PHE 7 HD1 PHE 7 17.606 2.319 0.149 63 HD2 PHE 7 HD2 PHE 7 16.116 -0.273 3.208 64 HE1 PHE 7 HE1 PHE 7 18.852 0.435 -0.828 65 HE2 PHE 7 HE2 PHE 7 17.365 -2.147 2.222 66 HZ PHE 7 HZ PHE 7 18.735 -1.796 0.209 67 H GLU 8 H GLU 8 15.937 3.391 5.675 68 HA GLU 8 HA GLU 8 17.346 0.976 6.585 69 HB2 GLU 8 2HB GLU 8 18.617 2.878 7.560 70 HB3 GLU 8 1HB GLU 8 17.125 3.579 8.189 71 HG2 GLU 8 2HG GLU 8 16.798 1.598 9.643 72 HG3 GLU 8 1HG GLU 8 18.281 0.887 9.013 73 H ILE 9 H ILE 9 15.917 -0.357 7.469 74 HA ILE 9 HA ILE 9 13.120 0.439 7.574 75 HB ILE 9 HB ILE 9 14.425 -2.288 8.024 76 HG12 ILE 9 2HG1 ILE 9 12.843 -1.137 5.673 77 HG13 ILE 9 1HG1 ILE 9 14.567 -1.472 5.685 78 HG21 ILE 9 1HG2 ILE 9 12.120 -3.226 7.955 79 HG22 ILE 9 2HG2 ILE 9 11.457 -1.593 7.885 80 HG23 ILE 9 3HG2 ILE 9 12.323 -2.130 9.325 81 HD11 ILE 9 3HD1 ILE 9 13.374 -3.142 4.452 82 HD12 ILE 9 1HD1 ILE 9 12.355 -3.503 5.843 83 HD13 ILE 9 2HD1 ILE 9 14.083 -3.862 5.897 84 H ILE 10 H ILE 10 12.459 1.369 9.269 85 HA ILE 10 HA ILE 10 13.994 1.621 11.714 86 HB ILE 10 HB ILE 10 11.338 2.817 10.784 87 HG12 ILE 10 2HG1 ILE 10 13.306 3.644 9.542 88 HG13 ILE 10 1HG1 ILE 10 12.610 4.922 10.525 89 HG21 ILE 10 1HG2 ILE 10 11.466 4.383 12.698 90 HG22 ILE 10 2HG2 ILE 10 12.832 3.475 13.350 91 HG23 ILE 10 3HG2 ILE 10 11.247 2.708 13.211 92 HD11 ILE 10 3HD1 ILE 10 14.421 4.592 12.180 93 HD12 ILE 10 1HD1 ILE 10 15.018 5.031 10.580 94 HD13 ILE 10 2HD1 ILE 10 15.124 3.360 11.130 95 H GLU 11 H GLU 11 11.045 0.052 10.572 96 HA GLU 11 HA GLU 11 10.841 -1.685 12.864 97 HB2 GLU 11 2HB GLU 11 9.857 0.430 13.765 98 HB3 GLU 11 1HB GLU 11 8.724 0.485 12.421 99 HG2 GLU 11 2HG GLU 11 7.635 -1.577 13.239 100 HG3 GLU 11 1HG GLU 11 8.800 -1.666 14.564 101 H GLU 12 H GLU 12 9.372 -3.376 12.466 102 HA GLU 12 HA GLU 12 8.095 -3.547 9.781 103 HB2 GLU 12 2HB GLU 12 8.608 -5.756 11.839 104 HB3 GLU 12 1HB GLU 12 7.834 -5.978 10.272 105 HG2 GLU 12 2HG GLU 12 9.942 -5.292 9.149 106 HG3 GLU 12 1HG GLU 12 10.688 -5.103 10.736 107 H LEU 13 H LEU 13 5.918 -3.244 9.683 108 HA LEU 13 HA LEU 13 4.524 -2.739 12.249 109 HB2 LEU 13 2HB LEU 13 3.709 -2.028 9.389 110 HB3 LEU 13 1HB LEU 13 2.834 -1.564 10.839 111 HG LEU 13 HG LEU 13 5.661 -0.651 10.169 112 HD11 LEU 13 1HD1 LEU 13 3.046 0.874 9.944 113 HD12 LEU 13 2HD1 LEU 13 4.052 0.312 8.607 114 HD13 LEU 13 3HD1 LEU 13 4.661 1.549 9.702 115 HD21 LEU 13 3HD2 LEU 13 3.803 0.233 12.401 116 HD22 LEU 13 1HD2 LEU 13 5.379 0.940 12.024 117 HD23 LEU 13 2HD2 LEU 13 5.274 -0.727 12.582 118 H ILE 14 H ILE 14 3.663 -4.198 9.095 119 HA ILE 14 HA ILE 14 2.207 -6.425 10.374 120 HB ILE 14 HB ILE 14 0.922 -4.698 8.167 121 HG12 ILE 14 2HG1 ILE 14 0.161 -4.693 11.131 122 HG13 ILE 14 1HG1 ILE 14 1.013 -3.396 10.305 123 HG21 ILE 14 1HG2 ILE 14 -0.245 -6.948 9.874 124 HG22 ILE 14 2HG2 ILE 14 0.213 -7.065 8.172 125 HG23 ILE 14 3HG2 ILE 14 -1.116 -6.016 8.654 126 HD11 ILE 14 3HD1 ILE 14 -0.924 -3.014 8.883 127 HD12 ILE 14 1HD1 ILE 14 -1.324 -2.878 10.594 128 HD13 ILE 14 2HD1 ILE 14 -1.784 -4.323 9.698 129 H VAL 15 H VAL 15 3.238 -8.178 9.370 130 HA VAL 15 HA VAL 15 4.186 -7.959 6.615 131 HB VAL 15 HB VAL 15 4.258 -10.398 8.460 132 HG11 VAL 15 1HG1 VAL 15 5.944 -11.302 6.894 133 HG12 VAL 15 2HG1 VAL 15 5.739 -9.901 5.839 134 HG13 VAL 15 3HG1 VAL 15 4.404 -11.029 6.080 135 HG21 VAL 15 3HG2 VAL 15 6.634 -9.836 8.848 136 HG22 VAL 15 1HG2 VAL 15 5.575 -8.533 9.391 137 HG23 VAL 15 2HG2 VAL 15 6.461 -8.375 7.873 138 H LEU 16 H LEU 16 2.981 -8.527 4.890 139 HA LEU 16 HA LEU 16 0.200 -9.371 5.374 140 HB2 LEU 16 2HB LEU 16 1.442 -8.130 2.881 141 HB3 LEU 16 1HB LEU 16 -0.274 -8.395 3.161 142 HG LEU 16 HG LEU 16 1.495 -6.480 4.726 143 HD11 LEU 16 1HD1 LEU 16 1.065 -5.659 2.468 144 HD12 LEU 16 2HD1 LEU 16 0.185 -4.691 3.650 145 HD13 LEU 16 3HD1 LEU 16 -0.671 -5.898 2.682 146 HD21 LEU 16 3HD2 LEU 16 -1.482 -6.984 4.969 147 HD22 LEU 16 1HD2 LEU 16 -0.570 -5.733 5.816 148 HD23 LEU 16 2HD2 LEU 16 -0.246 -7.431 6.148 149 H SER 17 H SER 17 3.138 -10.428 3.787 150 HA SER 17 HA SER 17 2.077 -12.998 3.103 151 HB2 SER 17 2HB SER 17 1.129 -11.552 1.263 152 HB3 SER 17 1HB SER 17 2.771 -11.129 0.785 153 HG SER 17 HG SER 17 1.569 -12.993 -0.273 154 H GLU 18 H GLU 18 3.673 -14.395 2.284 155 HA GLU 18 HA GLU 18 6.492 -13.462 2.155 156 HB2 GLU 18 2HB GLU 18 6.052 -14.620 4.322 157 HB3 GLU 18 1HB GLU 18 5.448 -16.034 3.463 158 HG2 GLU 18 2HG GLU 18 7.624 -16.502 2.550 159 HG3 GLU 18 1HG GLU 18 8.279 -14.980 3.159 160 H ASN 19 H ASN 19 7.520 -14.150 0.287 161 HA ASN 19 HA ASN 19 5.680 -15.235 -1.723 162 HB2 ASN 19 2HB ASN 19 7.226 -13.295 -2.164 163 HB3 ASN 19 1HB ASN 19 8.595 -14.394 -2.093 164 HD21 ASN 19 1HD2 ASN 19 9.213 -13.911 -4.180 165 HD22 ASN 19 2HD2 ASN 19 8.326 -14.405 -5.575 166 H ALA 20 H ALA 20 6.398 -16.920 -3.322 167 HA ALA 20 HA ALA 20 7.309 -19.373 -2.297 168 HB1 ALA 20 3HB ALA 20 7.354 -18.374 -5.164 169 HB2 ALA 20 1HB ALA 20 5.988 -19.138 -4.357 170 HB3 ALA 20 2HB ALA 20 7.455 -20.066 -4.660 171 H LYS 21 H LYS 21 9.058 -16.582 -3.382 172 HA LYS 21 HA LYS 21 11.670 -17.954 -3.394 173 HB2 LYS 21 2HB LYS 21 11.026 -15.070 -4.135 174 HB3 LYS 21 1HB LYS 21 12.552 -15.904 -4.396 175 HG2 LYS 21 2HG LYS 21 9.917 -16.442 -5.793 176 HG3 LYS 21 1HG LYS 21 11.364 -15.726 -6.500 177 HD2 LYS 21 2HD LYS 21 11.121 -18.584 -5.480 178 HD3 LYS 21 1HD LYS 21 11.078 -18.097 -7.174 179 HE2 LYS 21 2HE LYS 21 13.397 -17.303 -7.034 180 HE3 LYS 21 1HE LYS 21 13.443 -17.677 -5.310 181 HZ1 LYS 21 3HZ LYS 21 14.510 -19.399 -6.637 182 HZ2 LYS 21 1HZ LYS 21 13.072 -19.677 -7.478 183 HZ3 LYS 21 2HZ LYS 21 13.161 -20.015 -5.826 184 H GLY 22 H GLY 22 9.638 -16.666 -1.248 185 HA2 GLY 22 2HA GLY 22 10.060 -16.491 1.034 186 HA3 GLY 22 1HA GLY 22 11.698 -15.926 0.710 187 H TRP 23 H TRP 23 10.656 -14.056 -1.403 188 HA TRP 23 HA TRP 23 11.009 -11.741 -0.048 189 HB2 TRP 23 2HB TRP 23 9.687 -12.300 -2.698 190 HB3 TRP 23 1HB TRP 23 9.720 -10.651 -2.086 191 HD1 TRP 23 HD1 TRP 23 12.384 -13.473 -2.622 192 HE1 TRP 23 HE1 TRP 23 14.497 -12.368 -3.578 193 HE3 TRP 23 HE3 TRP 23 10.804 -8.589 -2.697 194 HZ2 TRP 23 HZ2 TRP 23 15.387 -9.776 -4.264 195 HZ3 TRP 23 HZ3 TRP 23 12.348 -6.859 -3.528 196 HH2 TRP 23 HH2 TRP 23 14.598 -7.442 -4.295 197 H ARG 24 H ARG 24 9.869 -10.552 1.393 198 HA ARG 24 HA ARG 24 7.178 -11.554 2.015 199 HB2 ARG 24 2HB ARG 24 9.240 -10.100 3.707 200 HB3 ARG 24 1HB ARG 24 7.571 -10.327 4.221 201 HG2 ARG 24 2HG ARG 24 7.926 -12.827 3.900 202 HG3 ARG 24 1HG ARG 24 9.645 -12.478 3.703 203 HD2 ARG 24 2HD ARG 24 8.025 -11.706 6.156 204 HD3 ARG 24 1HD ARG 24 8.962 -13.190 6.017 205 HE ARG 24 HE ARG 24 10.968 -11.904 5.973 206 HH11 ARG 24 1HH1 ARG 24 8.148 -9.972 6.792 207 HH12 ARG 24 2HH1 ARG 24 9.080 -8.720 7.552 208 HH21 ARG 24 1HH2 ARG 24 12.156 -10.302 7.031 209 HH22 ARG 24 2HH2 ARG 24 11.345 -8.913 7.688 210 H LYS 25 H LYS 25 5.565 -10.417 1.286 211 HA LYS 25 HA LYS 25 5.836 -7.595 0.577 212 HB2 LYS 25 2HB LYS 25 4.625 -9.080 -0.982 213 HB3 LYS 25 1HB LYS 25 3.490 -9.540 0.285 214 HG2 LYS 25 2HG LYS 25 2.550 -7.320 0.361 215 HG3 LYS 25 1HG LYS 25 3.824 -6.691 -0.688 216 HD2 LYS 25 2HD LYS 25 1.711 -6.969 -1.924 217 HD3 LYS 25 1HD LYS 25 2.967 -8.026 -2.572 218 HE2 LYS 25 2HE LYS 25 1.998 -9.940 -1.399 219 HE3 LYS 25 1HE LYS 25 0.792 -8.894 -0.641 220 HZ1 LYS 25 3HZ LYS 25 1.042 -9.498 -3.539 221 HZ2 LYS 25 1HZ LYS 25 -0.027 -8.366 -2.885 222 HZ3 LYS 25 2HZ LYS 25 -0.188 -9.998 -2.490 223 H GLU 26 H GLU 26 5.786 -6.297 2.268 224 HA GLU 26 HA GLU 26 3.811 -6.719 4.448 225 HB2 GLU 26 2HB GLU 26 5.632 -6.276 6.080 226 HB3 GLU 26 1HB GLU 26 5.967 -7.692 5.095 227 HG2 GLU 26 2HG GLU 26 7.419 -6.127 3.633 228 HG3 GLU 26 1HG GLU 26 7.276 -4.967 4.951 229 H LEU 27 H LEU 27 3.672 -4.929 5.894 230 HA LEU 27 HA LEU 27 4.152 -2.238 4.813 231 HB2 LEU 27 2HB LEU 27 1.771 -2.692 5.407 232 HB3 LEU 27 1HB LEU 27 2.257 -3.214 7.012 233 HG LEU 27 HG LEU 27 3.078 -0.859 7.464 234 HD11 LEU 27 1HD1 LEU 27 3.422 -0.064 5.182 235 HD12 LEU 27 2HD1 LEU 27 2.298 0.989 6.037 236 HD13 LEU 27 3HD1 LEU 27 1.691 -0.170 4.855 237 HD21 LEU 27 3HD2 LEU 27 0.913 -1.631 8.308 238 HD22 LEU 27 1HD2 LEU 27 0.128 -1.140 6.804 239 HD23 LEU 27 2HD2 LEU 27 0.837 0.074 7.872 240 H ASN 28 H ASN 28 5.963 -1.482 5.623 241 HA ASN 28 HA ASN 28 6.760 -1.929 8.433 242 HB2 ASN 28 2HB ASN 28 9.053 -2.409 7.805 243 HB3 ASN 28 1HB ASN 28 8.024 -3.509 6.904 244 HD21 ASN 28 1HD2 ASN 28 7.321 -1.381 4.862 245 HD22 ASN 28 2HD2 ASN 28 8.745 -1.196 3.917 246 H ARG 29 H ARG 29 8.162 -0.181 9.256 247 HA ARG 29 HA ARG 29 7.568 2.383 7.934 248 HB2 ARG 29 2HB ARG 29 6.797 2.068 10.321 249 HB3 ARG 29 1HB ARG 29 8.464 1.822 10.822 250 HG2 ARG 29 2HG ARG 29 9.038 4.078 10.479 251 HG3 ARG 29 1HG ARG 29 7.678 4.359 9.383 252 HD2 ARG 29 2HD ARG 29 7.318 5.454 11.553 253 HD3 ARG 29 1HD ARG 29 6.103 4.217 11.253 254 HE ARG 29 HE ARG 29 7.633 2.773 12.757 255 HH11 ARG 29 1HH1 ARG 29 7.078 6.224 13.236 256 HH12 ARG 29 2HH1 ARG 29 7.341 6.141 14.948 257 HH21 ARG 29 1HH2 ARG 29 7.915 2.681 14.995 258 HH22 ARG 29 2HH2 ARG 29 7.818 4.132 15.946 259 H VAL 30 H VAL 30 9.208 3.286 6.893 260 HA VAL 30 HA VAL 30 12.015 2.449 7.380 261 HB VAL 30 HB VAL 30 10.734 2.968 4.629 262 HG11 VAL 30 1HG1 VAL 30 13.120 3.555 4.655 263 HG12 VAL 30 2HG1 VAL 30 12.849 2.113 3.678 264 HG13 VAL 30 3HG1 VAL 30 13.531 1.963 5.302 265 HG21 VAL 30 3HG2 VAL 30 10.970 0.555 4.201 266 HG22 VAL 30 1HG2 VAL 30 9.911 0.851 5.580 267 HG23 VAL 30 2HG2 VAL 30 11.568 0.306 5.844 268 H SER 31 H SER 31 13.568 4.024 7.067 269 HA SER 31 HA SER 31 12.719 6.842 6.806 270 HB2 SER 31 2HB SER 31 13.895 6.399 8.915 271 HB3 SER 31 1HB SER 31 15.210 5.578 8.060 272 HG SER 31 HG SER 31 14.703 8.286 8.391 273 H TRP 32 H TRP 32 13.179 7.700 4.828 274 HA TRP 32 HA TRP 32 15.142 6.356 3.064 275 HB2 TRP 32 2HB TRP 32 12.722 8.074 2.336 276 HB3 TRP 32 1HB TRP 32 13.870 7.409 1.182 277 HD1 TRP 32 HD1 TRP 32 10.888 6.381 3.377 278 HE1 TRP 32 HE1 TRP 32 10.013 4.106 2.518 279 HE3 TRP 32 HE3 TRP 32 14.688 5.177 0.147 280 HZ2 TRP 32 HZ2 TRP 32 10.863 2.038 0.828 281 HZ3 TRP 32 HZ3 TRP 32 14.577 3.025 -1.047 282 HH2 TRP 32 HH2 TRP 32 12.702 1.486 -0.713 283 H ASN 33 H ASN 33 16.936 7.420 2.860 284 HA ASN 33 HA ASN 33 18.595 9.002 2.823 285 HB2 ASN 33 2HB ASN 33 16.294 10.358 1.369 286 HB3 ASN 33 1HB ASN 33 17.749 11.299 1.683 287 HD21 ASN 33 1HD2 ASN 33 16.470 10.175 -0.809 288 HD22 ASN 33 2HD2 ASN 33 17.789 9.428 -1.635 289 H ASP 34 H ASP 34 17.486 8.683 5.280 290 HA ASP 34 HA ASP 34 17.558 9.490 7.379 291 HB2 ASP 34 2HB ASP 34 18.998 11.830 6.061 292 HB3 ASP 34 1HB ASP 34 18.844 11.640 7.808 293 H ALA 35 H ALA 35 15.189 10.084 5.696 294 HA ALA 35 HA ALA 35 14.139 12.625 6.658 295 HB1 ALA 35 3HB ALA 35 13.470 11.789 4.440 296 HB2 ALA 35 1HB ALA 35 12.060 11.922 5.492 297 HB3 ALA 35 2HB ALA 35 12.778 10.340 5.166 298 H GLU 36 H GLU 36 12.183 12.703 7.962 299 HA GLU 36 HA GLU 36 12.114 11.214 10.330 300 HB2 GLU 36 2HB GLU 36 9.757 12.584 8.970 301 HB3 GLU 36 1HB GLU 36 9.809 12.092 10.661 302 HG2 GLU 36 2HG GLU 36 11.735 13.662 10.998 303 HG3 GLU 36 1HG GLU 36 11.528 14.209 9.339 304 HA PRO 37 HA PRO 37 11.037 7.122 8.872 305 HB2 PRO 37 2HB PRO 37 9.528 6.827 11.482 306 HB3 PRO 37 1HB PRO 37 10.766 5.775 10.764 307 HG2 PRO 37 2HG PRO 37 11.396 7.385 12.793 308 HG3 PRO 37 1HG PRO 37 12.538 7.116 11.454 309 HD2 PRO 37 2HD PRO 37 10.820 9.515 12.021 310 HD3 PRO 37 1HD PRO 37 12.455 9.428 11.323 311 H LYS 38 H LYS 38 9.445 6.435 7.524 312 HA LYS 38 HA LYS 38 6.722 7.516 7.809 313 HB2 LYS 38 2HB LYS 38 6.608 7.959 5.396 314 HB3 LYS 38 1HB LYS 38 7.892 8.911 6.130 315 HG2 LYS 38 2HG LYS 38 9.592 7.406 5.219 316 HG3 LYS 38 1HG LYS 38 8.339 6.336 4.585 317 HD2 LYS 38 2HD LYS 38 9.283 7.767 2.802 318 HD3 LYS 38 1HD LYS 38 7.566 8.096 3.046 319 HE2 LYS 38 2HE LYS 38 8.199 10.078 4.441 320 HE3 LYS 38 1HE LYS 38 9.892 9.771 4.051 321 HZ1 LYS 38 3HZ LYS 38 8.879 11.468 2.629 322 HZ2 LYS 38 1HZ LYS 38 7.765 10.342 2.052 323 HZ3 LYS 38 2HZ LYS 38 9.408 10.142 1.731 324 H TYR 39 H TYR 39 5.213 6.284 6.314 325 HA TYR 39 HA TYR 39 5.609 3.484 6.956 326 HB2 TYR 39 2HB TYR 39 3.188 4.943 5.797 327 HB3 TYR 39 1HB TYR 39 3.204 3.334 6.524 328 HD1 TYR 39 HD2 TYR 39 3.503 3.084 8.998 329 HD2 TYR 39 HD1 TYR 39 3.240 6.964 7.229 330 HE1 TYR 39 HE2 TYR 39 3.146 4.073 11.218 331 HE2 TYR 39 HE1 TYR 39 2.893 7.958 9.454 332 HH TYR 39 HH TYR 39 2.098 7.292 11.669 333 H ASP 40 H ASP 40 6.044 1.994 5.517 334 HA ASP 40 HA ASP 40 5.917 2.564 2.592 335 HB2 ASP 40 2HB ASP 40 8.264 2.723 3.315 336 HB3 ASP 40 1HB ASP 40 8.166 1.165 4.124 337 H ILE 41 H ILE 41 4.996 0.983 1.396 338 HA ILE 41 HA ILE 41 4.344 -1.606 2.661 339 HB ILE 41 HB ILE 41 2.279 -0.373 2.837 340 HG12 ILE 41 2HG1 ILE 41 2.074 -2.251 0.437 341 HG13 ILE 41 1HG1 ILE 41 2.101 -2.757 2.122 342 HG21 ILE 41 1HG2 ILE 41 2.679 1.436 1.233 343 HG22 ILE 41 2HG2 ILE 41 1.094 0.705 0.972 344 HG23 ILE 41 3HG2 ILE 41 2.436 0.318 -0.109 345 HD11 ILE 41 3HD1 ILE 41 -0.055 -1.139 0.765 346 HD12 ILE 41 1HD1 ILE 41 -0.028 -1.555 2.483 347 HD13 ILE 41 2HD1 ILE 41 -0.137 -2.827 1.269 348 H ARG 42 H ARG 42 5.528 -2.926 1.580 349 HA ARG 42 HA ARG 42 5.976 -2.805 -1.310 350 HB2 ARG 42 2HB ARG 42 7.520 -1.099 -0.315 351 HB3 ARG 42 1HB ARG 42 8.238 -2.346 0.697 352 HG2 ARG 42 2HG ARG 42 9.108 -3.493 -1.288 353 HG3 ARG 42 1HG ARG 42 8.323 -2.311 -2.341 354 HD2 ARG 42 2HD ARG 42 10.611 -1.836 -0.410 355 HD3 ARG 42 1HD ARG 42 10.643 -1.706 -2.170 356 HE ARG 42 HE ARG 42 9.427 0.165 -0.266 357 HH11 ARG 42 1HH1 ARG 42 10.161 -0.519 -3.650 358 HH12 ARG 42 2HH1 ARG 42 9.845 1.108 -4.152 359 HH21 ARG 42 1HH2 ARG 42 8.994 2.240 -0.926 360 HH22 ARG 42 2HH2 ARG 42 9.175 2.689 -2.596 361 H THR 43 H THR 43 7.366 -4.666 -2.074 362 HA THR 43 HA THR 43 7.298 -6.946 -0.230 363 HB THR 43 HB THR 43 7.885 -6.924 -3.241 364 HG1 THR 43 HG1 THR 43 5.538 -6.521 -1.992 365 HG21 THR 43 3HG2 THR 43 7.307 -9.350 -3.070 366 HG22 THR 43 1HG2 THR 43 7.112 -9.174 -1.319 367 HG23 THR 43 2HG2 THR 43 8.696 -8.944 -2.063 368 H TRP 44 H TRP 44 9.158 -7.343 0.733 369 HA TRP 44 HA TRP 44 11.728 -6.234 -0.261 370 HB2 TRP 44 2HB TRP 44 10.780 -6.856 2.582 371 HB3 TRP 44 1HB TRP 44 12.432 -6.412 2.174 372 HD1 TRP 44 HD1 TRP 44 8.900 -4.869 2.463 373 HE1 TRP 44 HE1 TRP 44 9.197 -2.316 2.712 374 HE3 TRP 44 HE3 TRP 44 13.924 -4.480 1.554 375 HZ2 TRP 44 HZ2 TRP 44 11.212 -0.401 2.485 376 HZ3 TRP 44 HZ3 TRP 44 14.956 -2.246 1.595 377 HH2 TRP 44 HH2 TRP 44 13.629 -0.244 2.052 378 H SER 45 H SER 45 13.599 -7.606 0.392 379 HA SER 45 HA SER 45 13.322 -10.399 -0.058 380 HB2 SER 45 2HB SER 45 15.554 -8.904 1.383 381 HB3 SER 45 1HB SER 45 15.674 -10.514 0.660 382 HG SER 45 HG SER 45 15.568 -9.640 -1.328 383 HA PRO 46 HA PRO 46 12.072 -12.075 4.009 384 HB2 PRO 46 2HB PRO 46 14.038 -14.109 4.281 385 HB3 PRO 46 1HB PRO 46 12.464 -14.277 3.494 386 HG2 PRO 46 2HG PRO 46 15.139 -13.772 2.250 387 HG3 PRO 46 1HG PRO 46 13.795 -14.786 1.672 388 HD2 PRO 46 2HD PRO 46 14.264 -12.389 0.577 389 HD3 PRO 46 1HD PRO 46 12.596 -12.949 0.843 390 H ASP 47 H ASP 47 15.603 -11.710 3.540 391 HA ASP 47 HA ASP 47 16.064 -10.956 6.340 392 HB2 ASP 47 2HB ASP 47 18.036 -11.145 4.008 393 HB3 ASP 47 1HB ASP 47 18.464 -10.894 5.699 394 H HIS 48 H HIS 48 14.942 -9.353 3.720 395 HA HIS 48 HA HIS 48 14.538 -7.189 3.183 396 HB2 HIS 48 2HB HIS 48 15.811 -6.594 5.890 397 HB3 HIS 48 1HB HIS 48 15.104 -5.355 4.861 398 HD1 HIS 48 HD1 HIS 48 14.013 -5.657 7.606 399 HD2 HIS 48 HD2 HIS 48 12.466 -7.750 4.378 400 HE1 HIS 48 HE1 HIS 48 11.624 -6.110 8.184 401 HE2 HIS 48 HE2 HIS 48 10.693 -7.248 6.175 402 H GLU 49 H GLU 49 17.293 -8.536 2.647 403 HA GLU 49 HA GLU 49 19.268 -6.524 2.551 404 HB2 GLU 49 2HB GLU 49 20.483 -8.056 1.044 405 HB3 GLU 49 1HB GLU 49 19.841 -8.902 2.445 406 HG2 GLU 49 2HG GLU 49 18.060 -9.880 1.131 407 HG3 GLU 49 1HG GLU 49 18.483 -8.897 -0.267 408 H LYS 50 H LYS 50 16.605 -7.216 0.426 409 HA LYS 50 HA LYS 50 17.382 -5.052 -1.405 410 HB2 LYS 50 2HB LYS 50 16.323 -7.767 -2.292 411 HB3 LYS 50 1HB LYS 50 16.493 -6.362 -3.333 412 HG2 LYS 50 2HG LYS 50 18.991 -6.448 -2.873 413 HG3 LYS 50 1HG LYS 50 18.698 -7.986 -2.052 414 HD2 LYS 50 2HD LYS 50 19.380 -8.453 -4.343 415 HD3 LYS 50 1HD LYS 50 17.674 -8.867 -4.155 416 HE2 LYS 50 2HE LYS 50 17.041 -6.705 -5.201 417 HE3 LYS 50 1HE LYS 50 18.754 -6.332 -5.432 418 HZ1 LYS 50 3HZ LYS 50 17.619 -7.269 -7.412 419 HZ2 LYS 50 1HZ LYS 50 17.422 -8.727 -6.585 420 HZ3 LYS 50 2HZ LYS 50 18.974 -8.151 -6.929 421 H MET 51 H MET 51 15.404 -4.772 -2.980 422 HA MET 51 HA MET 51 12.852 -4.637 -1.538 423 HB2 MET 51 2HB MET 51 12.743 -2.145 -1.881 424 HB3 MET 51 1HB MET 51 13.999 -2.625 -0.752 425 HG2 MET 51 2HG MET 51 15.680 -2.386 -2.586 426 HG3 MET 51 1HG MET 51 14.396 -1.777 -3.630 427 HE1 MET 51 3HE MET 51 16.677 1.349 -2.718 428 HE2 MET 51 1HE MET 51 16.053 0.370 -4.044 429 HE3 MET 51 2HE MET 51 17.207 -0.322 -2.903 430 H GLY 52 H GLY 52 11.100 -3.858 -2.959 431 HA2 GLY 52 2HA GLY 52 11.620 -3.518 -5.809 432 HA3 GLY 52 1HA GLY 52 10.823 -5.024 -5.363 433 H LYS 53 H LYS 53 8.790 -4.814 -5.996 434 HA LYS 53 HA LYS 53 7.374 -2.524 -6.619 435 HB2 LYS 53 2HB LYS 53 6.112 -5.156 -5.726 436 HB3 LYS 53 1HB LYS 53 5.381 -3.943 -6.762 437 HG2 LYS 53 2HG LYS 53 7.770 -5.658 -7.489 438 HG3 LYS 53 1HG LYS 53 6.111 -5.946 -8.006 439 HD2 LYS 53 2HD LYS 53 6.150 -3.744 -9.204 440 HD3 LYS 53 1HD LYS 53 7.847 -3.561 -8.748 441 HE2 LYS 53 2HE LYS 53 8.392 -5.644 -9.993 442 HE3 LYS 53 1HE LYS 53 6.699 -5.788 -10.476 443 HZ1 LYS 53 3HZ LYS 53 8.512 -3.539 -11.173 444 HZ2 LYS 53 1HZ LYS 53 6.898 -3.686 -11.657 445 HZ3 LYS 53 2HZ LYS 53 8.050 -4.789 -12.212 446 H GLY 54 H GLY 54 6.663 -0.849 -5.223 447 HA2 GLY 54 2HA GLY 54 4.842 -1.372 -3.158 448 HA3 GLY 54 1HA GLY 54 6.437 -1.062 -2.473 449 H ILE 55 H ILE 55 4.965 0.700 -1.593 450 HA ILE 55 HA ILE 55 5.565 3.179 -3.002 451 HB ILE 55 HB ILE 55 3.370 2.624 -3.973 452 HG12 ILE 55 2HG1 ILE 55 3.062 4.945 -2.010 453 HG13 ILE 55 1HG1 ILE 55 3.906 5.036 -3.550 454 HG21 ILE 55 1HG2 ILE 55 2.456 1.198 -2.197 455 HG22 ILE 55 2HG2 ILE 55 1.301 2.449 -2.658 456 HG23 ILE 55 3HG2 ILE 55 2.226 2.609 -1.162 457 HD11 ILE 55 3HD1 ILE 55 1.722 6.009 -3.742 458 HD12 ILE 55 1HD1 ILE 55 0.961 4.531 -3.156 459 HD13 ILE 55 2HD1 ILE 55 1.791 4.542 -4.714 460 H THR 56 H THR 56 5.496 4.998 -1.659 461 HA THR 56 HA THR 56 5.763 4.426 1.237 462 HB THR 56 HB THR 56 7.071 6.627 1.258 463 HG1 THR 56 HG1 THR 56 7.344 6.315 -1.540 464 HG21 THR 56 3HG2 THR 56 9.140 5.653 0.352 465 HG22 THR 56 1HG2 THR 56 8.210 4.426 -0.515 466 HG23 THR 56 2HG2 THR 56 8.237 4.437 1.251 467 H LEU 57 H LEU 57 4.834 5.868 2.726 468 HA LEU 57 HA LEU 57 2.704 7.697 1.862 469 HB2 LEU 57 2HB LEU 57 2.430 5.504 3.989 470 HB3 LEU 57 1HB LEU 57 1.207 6.702 3.599 471 HG LEU 57 HG LEU 57 2.157 4.503 1.719 472 HD11 LEU 57 1HD1 LEU 57 0.886 3.551 3.583 473 HD12 LEU 57 2HD1 LEU 57 -0.050 3.463 2.093 474 HD13 LEU 57 3HD1 LEU 57 -0.433 4.694 3.299 475 HD21 LEU 57 3HD2 LEU 57 1.440 6.469 0.468 476 HD22 LEU 57 1HD2 LEU 57 -0.077 6.529 1.371 477 HD23 LEU 57 2HD2 LEU 57 0.258 5.176 0.287 478 H SER 58 H SER 58 2.529 9.453 3.193 479 HA SER 58 HA SER 58 4.518 9.898 5.314 480 HB2 SER 58 2HB SER 58 2.489 11.825 4.090 481 HB3 SER 58 1HB SER 58 3.860 12.257 5.122 482 HG SER 58 HG SER 58 3.895 11.188 2.501 483 H GLU 59 H GLU 59 3.586 11.191 7.313 484 HA GLU 59 HA GLU 59 1.797 9.570 8.718 485 HB2 GLU 59 2HB GLU 59 2.601 12.452 9.294 486 HB3 GLU 59 1HB GLU 59 1.709 11.419 10.408 487 HG2 GLU 59 2HG GLU 59 3.645 9.804 10.355 488 HG3 GLU 59 1HG GLU 59 4.529 11.004 9.411 489 H GLU 60 H GLU 60 1.173 12.596 6.934 490 HA GLU 60 HA GLU 60 -1.554 12.897 7.574 491 HB2 GLU 60 2HB GLU 60 -0.061 13.782 5.066 492 HB3 GLU 60 1HB GLU 60 -1.695 14.292 5.487 493 HG2 GLU 60 2HG GLU 60 -0.740 15.239 7.634 494 HG3 GLU 60 1HG GLU 60 0.863 14.913 6.980 495 H GLU 61 H GLU 61 -0.014 11.247 4.824 496 HA GLU 61 HA GLU 61 -2.399 10.602 3.424 497 HB2 GLU 61 2HB GLU 61 0.284 9.152 3.218 498 HB3 GLU 61 1HB GLU 61 -0.987 9.235 1.995 499 HG2 GLU 61 2HG GLU 61 -0.618 11.693 1.829 500 HG3 GLU 61 1HG GLU 61 0.715 11.535 2.975 501 H PHE 62 H PHE 62 -0.216 8.573 5.338 502 HA PHE 62 HA PHE 62 -1.771 6.234 5.412 503 HB2 PHE 62 2HB PHE 62 0.691 6.388 5.939 504 HB3 PHE 62 1HB PHE 62 0.291 7.144 7.478 505 HD1 PHE 62 HD2 PHE 62 -0.140 4.010 5.477 506 HD2 PHE 62 HD1 PHE 62 -0.240 5.770 9.372 507 HE1 PHE 62 HE2 PHE 62 -0.292 1.775 6.489 508 HE2 PHE 62 HE1 PHE 62 -0.398 3.529 10.376 509 HZ PHE 62 HZ PHE 62 -0.418 1.530 8.936 510 H GLY 63 H GLY 63 -1.709 9.130 7.568 511 HA2 GLY 63 2HA GLY 63 -3.490 8.271 9.524 512 HA3 GLY 63 1HA GLY 63 -3.272 9.934 8.994 513 H VAL 64 H VAL 64 -4.192 9.870 6.388 514 HA VAL 64 HA VAL 64 -7.003 9.967 6.614 515 HB VAL 64 HB VAL 64 -5.272 9.776 4.094 516 HG11 VAL 64 1HG1 VAL 64 -7.208 10.661 2.833 517 HG12 VAL 64 2HG1 VAL 64 -8.212 10.562 4.282 518 HG13 VAL 64 3HG1 VAL 64 -7.572 9.089 3.553 519 HG21 VAL 64 3HG2 VAL 64 -5.562 12.216 3.928 520 HG22 VAL 64 1HG2 VAL 64 -4.820 11.785 5.467 521 HG23 VAL 64 2HG2 VAL 64 -6.526 12.227 5.409 522 H LEU 65 H LEU 65 -4.778 7.454 5.416 523 HA LEU 65 HA LEU 65 -6.597 5.571 4.456 524 HB2 LEU 65 2HB LEU 65 -4.058 5.550 4.233 525 HB3 LEU 65 1HB LEU 65 -3.978 4.977 5.887 526 HG LEU 65 HG LEU 65 -5.351 2.938 5.125 527 HD11 LEU 65 1HD1 LEU 65 -5.351 2.410 2.732 528 HD12 LEU 65 2HD1 LEU 65 -4.664 3.993 2.364 529 HD13 LEU 65 3HD1 LEU 65 -6.278 3.869 3.066 530 HD21 LEU 65 3HD2 LEU 65 -2.930 2.800 5.536 531 HD22 LEU 65 1HD2 LEU 65 -2.601 3.332 3.884 532 HD23 LEU 65 2HD2 LEU 65 -3.395 1.782 4.176 533 H LEU 66 H LEU 66 -5.166 5.879 7.767 534 HA LEU 66 HA LEU 66 -6.489 3.698 8.964 535 HB2 LEU 66 2HB LEU 66 -5.367 6.236 10.236 536 HB3 LEU 66 1HB LEU 66 -5.852 4.801 11.129 537 HG LEU 66 HG LEU 66 -3.540 5.017 9.172 538 HD11 LEU 66 1HD1 LEU 66 -2.134 4.548 11.132 539 HD12 LEU 66 2HD1 LEU 66 -3.566 4.533 12.165 540 HD13 LEU 66 3HD1 LEU 66 -3.079 6.019 11.347 541 HD21 LEU 66 3HD2 LEU 66 -3.014 2.670 9.712 542 HD22 LEU 66 1HD2 LEU 66 -4.569 2.821 8.894 543 HD23 LEU 66 2HD2 LEU 66 -4.513 2.544 10.636 544 H LYS 67 H LYS 67 -7.392 7.082 8.621 545 HA LYS 67 HA LYS 67 -9.614 7.205 10.379 546 HB2 LYS 67 2HB LYS 67 -8.815 8.802 7.906 547 HB3 LYS 67 1HB LYS 67 -10.268 9.182 8.821 548 HG2 LYS 67 2HG LYS 67 -9.028 9.809 10.753 549 HG3 LYS 67 1HG LYS 67 -7.544 9.084 10.134 550 HD2 LYS 67 2HD LYS 67 -7.649 11.626 10.047 551 HD3 LYS 67 1HD LYS 67 -7.232 10.821 8.535 552 HE2 LYS 67 2HE LYS 67 -8.811 12.701 8.210 553 HE3 LYS 67 1HE LYS 67 -9.494 11.161 7.691 554 HZ1 LYS 67 3HZ LYS 67 -11.083 12.480 8.938 555 HZ2 LYS 67 1HZ LYS 67 -10.057 12.510 10.275 556 HZ3 LYS 67 2HZ LYS 67 -10.733 11.048 9.760 557 H GLU 68 H GLU 68 -9.508 6.845 6.842 558 HA GLU 68 HA GLU 68 -12.295 6.366 6.584 559 HB2 GLU 68 2HB GLU 68 -10.047 5.927 4.596 560 HB3 GLU 68 1HB GLU 68 -11.760 5.891 4.205 561 HG2 GLU 68 2HG GLU 68 -10.237 8.300 5.242 562 HG3 GLU 68 1HG GLU 68 -10.708 8.019 3.569 563 H LEU 69 H LEU 69 -9.522 4.235 7.020 564 HA LEU 69 HA LEU 69 -10.908 1.800 6.390 565 HB2 LEU 69 2HB LEU 69 -8.396 2.320 8.034 566 HB3 LEU 69 1HB LEU 69 -9.055 0.705 7.812 567 HG LEU 69 HG LEU 69 -8.057 2.508 5.566 568 HD11 LEU 69 1HD1 LEU 69 -6.765 0.049 6.774 569 HD12 LEU 69 2HD1 LEU 69 -6.228 1.718 6.982 570 HD13 LEU 69 3HD1 LEU 69 -6.169 0.970 5.389 571 HD21 LEU 69 3HD2 LEU 69 -9.833 1.017 4.788 572 HD22 LEU 69 1HD2 LEU 69 -8.971 -0.379 5.445 573 HD23 LEU 69 2HD2 LEU 69 -8.270 0.557 4.122 574 H GLY 70 H GLY 70 -10.311 3.642 9.398 575 HA2 GLY 70 2HA GLY 70 -11.572 1.935 11.259 576 HA3 GLY 70 1HA GLY 70 -11.424 3.679 11.418 577 H ASN 71 H ASN 71 -12.872 4.402 9.135 578 HA ASN 71 HA ASN 71 -15.634 4.201 9.834 579 HB2 ASN 71 2HB ASN 71 -14.326 4.992 7.197 580 HB3 ASN 71 1HB ASN 71 -16.040 5.207 7.549 581 HD21 ASN 71 1HD2 ASN 71 -13.972 7.191 6.937 582 HD22 ASN 71 2HD2 ASN 71 -13.988 8.301 8.258 583 H LYS 72 H LYS 72 -14.021 2.838 6.986 584 HA LYS 72 HA LYS 72 -15.837 0.894 6.225 585 HB2 LYS 72 2HB LYS 72 -12.803 0.653 6.006 586 HB3 LYS 72 1HB LYS 72 -13.968 -0.308 5.092 587 HG2 LYS 72 2HG LYS 72 -14.842 1.774 4.051 588 HG3 LYS 72 1HG LYS 72 -13.629 2.696 4.926 589 HD2 LYS 72 2HD LYS 72 -12.851 2.383 2.662 590 HD3 LYS 72 1HD LYS 72 -11.839 1.397 3.725 591 HE2 LYS 72 2HE LYS 72 -12.549 0.235 1.615 592 HE3 LYS 72 1HE LYS 72 -13.032 -0.612 3.089 593 HZ1 LYS 72 3HZ LYS 72 -14.810 -0.493 1.415 594 HZ2 LYS 72 1HZ LYS 72 -14.794 1.187 1.516 595 HZ3 LYS 72 2HZ LYS 72 -15.251 0.265 2.854 596 H LEU 73 H LEU 73 -13.987 0.795 9.111 597 HA LEU 73 HA LEU 73 -14.600 -2.063 9.603 598 HB2 LEU 73 2HB LEU 73 -12.334 -0.366 10.741 599 HB3 LEU 73 1HB LEU 73 -12.669 -2.023 11.206 600 HG LEU 73 HG LEU 73 -11.723 -1.092 8.465 601 HD11 LEU 73 1HD1 LEU 73 -9.970 -0.980 10.166 602 HD12 LEU 73 2HD1 LEU 73 -9.639 -2.251 8.995 603 HD13 LEU 73 3HD1 LEU 73 -10.251 -2.672 10.596 604 HD21 LEU 73 3HD2 LEU 73 -11.539 -3.477 7.867 605 HD22 LEU 73 1HD2 LEU 73 -13.209 -3.016 8.202 606 HD23 LEU 73 2HD2 LEU 73 -12.289 -3.925 9.400 607 H GLU 74 H GLU 74 -16.300 0.413 10.127 608 HA GLU 74 HA GLU 74 -16.697 1.212 12.713 609 HB2 GLU 74 2HB GLU 74 -18.742 0.349 10.653 610 HB3 GLU 74 1HB GLU 74 -19.272 0.924 12.229 611 HG2 GLU 74 2HG GLU 74 -18.294 3.088 11.842 612 HG3 GLU 74 1HG GLU 74 -17.534 2.545 10.355 613 H HIS 75 H HIS 75 -18.094 -1.789 11.435 614 HA HIS 75 HA HIS 75 -17.557 -3.098 14.025 615 HB2 HIS 75 2HB HIS 75 -20.043 -2.731 13.653 616 HB3 HIS 75 1HB HIS 75 -19.928 -3.727 12.204 617 HD1 HIS 75 HD1 HIS 75 -20.478 -6.122 12.605 618 HD2 HIS 75 HD2 HIS 75 -19.150 -4.270 16.076 619 HE1 HIS 75 HE1 HIS 75 -20.693 -7.853 14.403 620 HE2 HIS 75 HE2 HIS 75 -19.756 -6.751 16.461 621 H HIS 76 H HIS 76 -15.532 -3.557 13.126 622 HA HIS 76 HA HIS 76 -15.118 -4.930 10.678 623 HB2 HIS 76 2HB HIS 76 -12.784 -5.383 11.582 624 HB3 HIS 76 1HB HIS 76 -13.251 -3.695 11.533 625 HD1 HIS 76 HD1 HIS 76 -12.572 -6.492 13.939 626 HD2 HIS 76 HD2 HIS 76 -13.263 -2.394 14.013 627 HE1 HIS 76 HE1 HIS 76 -11.997 -5.762 16.262 628 HE2 HIS 76 HE2 HIS 76 -12.541 -3.309 16.324 629 H HIS 77 H HIS 77 -16.632 -6.568 10.725 630 HA HIS 77 HA HIS 77 -16.536 -8.754 12.600 631 HB2 HIS 77 2HB HIS 77 -18.276 -9.784 11.191 632 HB3 HIS 77 1HB HIS 77 -18.674 -8.106 11.543 633 HD1 HIS 77 HD1 HIS 77 -17.925 -10.430 8.764 634 HD2 HIS 77 HD2 HIS 77 -18.481 -6.347 9.277 635 HE1 HIS 77 HE1 HIS 77 -18.134 -9.487 6.452 636 HE2 HIS 77 HE2 HIS 77 -18.670 -7.058 6.799 637 H HIS 78 H HIS 78 -15.237 -10.395 12.503 638 HA HIS 78 HA HIS 78 -14.302 -11.746 10.186 639 HB2 HIS 78 2HB HIS 78 -12.781 -9.684 10.164 640 HB3 HIS 78 1HB HIS 78 -12.145 -10.192 11.721 641 HD1 HIS 78 HD1 HIS 78 -11.514 -10.438 8.189 642 HD2 HIS 78 HD2 HIS 78 -10.753 -12.827 11.503 643 HE1 HIS 78 HE1 HIS 78 -9.655 -11.974 7.492 644 HE2 HIS 78 HE2 HIS 78 -9.341 -13.513 9.456 645 H HIS 79 H HIS 79 -12.648 -11.072 13.238 646 HA HIS 79 HA HIS 79 -14.069 -13.061 14.777 647 HB2 HIS 79 2HB HIS 79 -11.152 -13.484 14.036 648 HB3 HIS 79 1HB HIS 79 -11.722 -14.016 15.611 649 HD1 HIS 79 HD1 HIS 79 -13.455 -15.993 15.624 650 HD2 HIS 79 HD2 HIS 79 -11.824 -15.134 11.897 651 HE1 HIS 79 HE1 HIS 79 -14.011 -17.964 14.167 652 HE2 HIS 79 HE2 HIS 79 -12.995 -17.431 11.936 653 H HIS 80 H HIS 80 -14.193 -12.353 16.863 654 HA HIS 80 HA HIS 80 -13.549 -9.938 17.871 655 HB2 HIS 80 2HB HIS 80 -14.990 -11.526 19.069 656 HB3 HIS 80 1HB HIS 80 -13.613 -12.551 19.448 657 HD1 HIS 80 HD1 HIS 80 -15.334 -9.411 20.507 658 HD2 HIS 80 HD2 HIS 80 -12.004 -11.637 21.624 659 HE1 HIS 80 HE1 HIS 80 -14.638 -8.513 22.744 660 HE2 HIS 80 HE2 HIS 80 -12.525 -9.745 23.306 661 H1 MET 1 1H MET 1 6.152 -9.707 -17.010 662 H2 MET 1 2H MET 1 6.784 -11.179 -16.479 663 H3 MET 1 3H MET 1 5.628 -10.370 -15.549 664 HA MET 1 HA MET 1 5.184 -11.470 -18.255 665 HB2 MET 1 2HB MET 1 4.292 -12.529 -15.535 666 HB3 MET 1 1HB MET 1 3.711 -13.146 -17.076 667 HG2 MET 1 2HG MET 1 6.010 -13.836 -17.654 668 HG3 MET 1 1HG MET 1 6.570 -13.248 -16.086 669 HE1 MET 1 3HE MET 1 7.654 -15.714 -15.668 670 HE2 MET 1 1HE MET 1 7.024 -16.266 -17.222 671 HE3 MET 1 2HE MET 1 6.710 -17.199 -15.761 672 H ALA 2 H ALA 2 4.224 -9.630 -19.008 673 HA ALA 2 HA ALA 2 1.491 -9.064 -18.169 674 HB1 ALA 2 3HB ALA 2 2.799 -7.552 -16.703 675 HB2 ALA 2 1HB ALA 2 1.866 -6.634 -17.888 676 HB3 ALA 2 2HB ALA 2 3.601 -6.862 -18.113 677 H ASP 3 H ASP 3 1.962 -10.332 -20.320 678 HA ASP 3 HA ASP 3 2.749 -9.043 -22.699 679 HB2 ASP 3 2HB ASP 3 0.800 -11.368 -22.322 680 HB3 ASP 3 1HB ASP 3 1.551 -10.916 -23.853 681 H LYS 4 H LYS 4 -0.385 -9.401 -21.159 682 HA LYS 4 HA LYS 4 -1.296 -6.883 -22.114 683 HB2 LYS 4 2HB LYS 4 -1.878 -8.110 -24.132 684 HB3 LYS 4 1HB LYS 4 -2.680 -9.379 -23.211 685 HG2 LYS 4 2HG LYS 4 -4.494 -7.916 -22.608 686 HG3 LYS 4 1HG LYS 4 -3.636 -6.490 -23.198 687 HD2 LYS 4 2HD LYS 4 -4.563 -8.786 -24.970 688 HD3 LYS 4 1HD LYS 4 -5.471 -7.294 -24.727 689 HE2 LYS 4 2HE LYS 4 -2.700 -7.514 -25.948 690 HE3 LYS 4 1HE LYS 4 -4.198 -7.208 -26.824 691 HZ1 LYS 4 3HZ LYS 4 -2.967 -5.420 -24.791 692 HZ2 LYS 4 1HZ LYS 4 -4.442 -5.139 -25.569 693 HZ3 LYS 4 2HZ LYS 4 -3.008 -5.161 -26.460 694 H LEU 5 H LEU 5 -1.632 -6.335 -20.061 695 HA LEU 5 HA LEU 5 -3.594 -7.832 -18.466 696 HB2 LEU 5 2HB LEU 5 -1.863 -5.454 -17.663 697 HB3 LEU 5 1HB LEU 5 -3.032 -6.261 -16.624 698 HG LEU 5 HG LEU 5 -0.409 -7.403 -17.660 699 HD11 LEU 5 1HD1 LEU 5 -1.390 -6.878 -14.836 700 HD12 LEU 5 2HD1 LEU 5 -0.220 -5.895 -15.724 701 HD13 LEU 5 3HD1 LEU 5 0.177 -7.556 -15.287 702 HD21 LEU 5 3HD2 LEU 5 -2.566 -8.871 -16.098 703 HD22 LEU 5 1HD2 LEU 5 -0.941 -9.479 -16.430 704 HD23 LEU 5 2HD2 LEU 5 -2.064 -9.203 -17.758 705 H LYS 6 H LYS 6 -5.502 -6.943 -17.952 706 HA LYS 6 HA LYS 6 -6.240 -4.275 -19.023 707 HB2 LYS 6 2HB LYS 6 -7.971 -6.799 -18.748 708 HB3 LYS 6 1HB LYS 6 -8.620 -5.198 -19.088 709 HG2 LYS 6 2HG LYS 6 -6.682 -6.713 -20.856 710 HG3 LYS 6 1HG LYS 6 -8.418 -6.584 -21.130 711 HD2 LYS 6 2HD LYS 6 -6.473 -4.239 -21.097 712 HD3 LYS 6 1HD LYS 6 -7.090 -5.023 -22.552 713 HE2 LYS 6 2HE LYS 6 -9.349 -4.306 -22.062 714 HE3 LYS 6 1HE LYS 6 -8.863 -3.689 -20.480 715 HZ1 LYS 6 3HZ LYS 6 -7.517 -2.016 -21.568 716 HZ2 LYS 6 1HZ LYS 6 -9.104 -1.923 -22.133 717 HZ3 LYS 6 2HZ LYS 6 -7.906 -2.632 -23.089 718 H PHE 7 H PHE 7 -7.496 -3.013 -17.502 719 HA PHE 7 HA PHE 7 -7.719 -4.083 -14.782 720 HB2 PHE 7 2HB PHE 7 -6.671 -1.944 -13.884 721 HB3 PHE 7 1HB PHE 7 -5.545 -3.037 -14.663 722 HD1 PHE 7 HD1 PHE 7 -4.506 -2.435 -16.846 723 HD2 PHE 7 HD2 PHE 7 -7.102 0.297 -14.817 724 HE1 PHE 7 HE1 PHE 7 -3.656 -0.584 -18.237 725 HE2 PHE 7 HE2 PHE 7 -6.248 2.135 -16.215 726 HZ PHE 7 HZ PHE 7 -4.527 1.699 -17.918 727 H GLU 8 H GLU 8 -9.617 -3.476 -13.863 728 HA GLU 8 HA GLU 8 -10.999 -1.087 -14.917 729 HB2 GLU 8 2HB GLU 8 -12.059 -3.138 -15.968 730 HB3 GLU 8 1HB GLU 8 -12.412 -3.754 -14.354 731 HG2 GLU 8 2HG GLU 8 -13.778 -1.681 -13.924 732 HG3 GLU 8 1HG GLU 8 -13.514 -1.204 -15.601 733 H ILE 9 H ILE 9 -11.699 0.151 -13.288 734 HA ILE 9 HA ILE 9 -11.026 -0.590 -10.569 735 HB ILE 9 HB ILE 9 -12.412 1.960 -11.530 736 HG12 ILE 9 2HG1 ILE 9 -9.444 1.430 -10.986 737 HG13 ILE 9 1HG1 ILE 9 -10.165 1.684 -12.573 738 HG21 ILE 9 1HG2 ILE 9 -11.702 2.902 -9.346 739 HG22 ILE 9 2HG2 ILE 9 -10.999 1.349 -8.891 740 HG23 ILE 9 3HG2 ILE 9 -12.743 1.496 -9.109 741 HD11 ILE 9 3HD1 ILE 9 -9.031 3.662 -11.816 742 HD12 ILE 9 1HD1 ILE 9 -10.009 3.708 -10.350 743 HD13 ILE 9 2HD1 ILE 9 -10.763 3.966 -11.927 744 H ILE 10 H ILE 10 -12.305 -1.835 -9.550 745 HA ILE 10 HA ILE 10 -15.080 -2.336 -10.179 746 HB ILE 10 HB ILE 10 -13.233 -3.423 -7.992 747 HG12 ILE 10 2HG1 ILE 10 -12.471 -4.099 -10.208 748 HG13 ILE 10 1HG1 ILE 10 -13.177 -5.497 -9.410 749 HG21 ILE 10 1HG2 ILE 10 -14.894 -5.218 -7.624 750 HG22 ILE 10 2HG2 ILE 10 -16.017 -4.416 -8.725 751 HG23 ILE 10 3HG2 ILE 10 -15.540 -3.627 -7.221 752 HD11 ILE 10 3HD1 ILE 10 -15.242 -5.164 -10.748 753 HD12 ILE 10 1HD1 ILE 10 -13.810 -5.459 -11.736 754 HD13 ILE 10 2HD1 ILE 10 -14.450 -3.826 -11.581 755 H GLU 11 H GLU 11 -13.148 -0.851 -7.565 756 HA GLU 11 HA GLU 11 -15.435 0.731 -6.672 757 HB2 GLU 11 2HB GLU 11 -15.609 -1.515 -5.481 758 HB3 GLU 11 1HB GLU 11 -14.041 -1.198 -4.744 759 HG2 GLU 11 2HG GLU 11 -14.974 0.794 -3.619 760 HG3 GLU 11 1HG GLU 11 -16.551 0.469 -4.339 761 H GLU 12 H GLU 12 -14.739 2.633 -5.699 762 HA GLU 12 HA GLU 12 -11.824 3.062 -5.347 763 HB2 GLU 12 2HB GLU 12 -14.033 5.174 -5.373 764 HB3 GLU 12 1HB GLU 12 -12.296 5.456 -5.363 765 HG2 GLU 12 2HG GLU 12 -12.770 5.836 -7.588 766 HG3 GLU 12 1HG GLU 12 -12.327 4.138 -7.644 767 H LEU 13 H LEU 13 -11.006 3.064 -3.272 768 HA LEU 13 HA LEU 13 -13.032 2.654 -1.144 769 HB2 LEU 13 2HB LEU 13 -10.031 2.082 -1.084 770 HB3 LEU 13 1HB LEU 13 -11.205 1.619 0.140 771 HG LEU 13 HG LEU 13 -11.067 0.529 -2.698 772 HD11 LEU 13 1HD1 LEU 13 -10.400 -0.774 -0.041 773 HD12 LEU 13 2HD1 LEU 13 -9.267 -0.323 -1.317 774 HD13 LEU 13 3HD1 LEU 13 -10.443 -1.599 -1.602 775 HD21 LEU 13 3HD2 LEU 13 -12.989 -0.195 -0.468 776 HD22 LEU 13 1HD2 LEU 13 -12.835 -1.044 -2.009 777 HD23 LEU 13 2HD2 LEU 13 -13.386 0.628 -1.978 778 H ILE 14 H ILE 14 -9.841 4.239 -1.474 779 HA ILE 14 HA ILE 14 -10.630 6.478 0.283 780 HB ILE 14 HB ILE 14 -8.116 4.783 0.852 781 HG12 ILE 14 2HG1 ILE 14 -10.688 4.803 2.512 782 HG13 ILE 14 1HG1 ILE 14 -10.180 3.490 1.459 783 HG21 ILE 14 1HG2 ILE 14 -9.389 7.049 2.459 784 HG22 ILE 14 2HG2 ILE 14 -7.919 7.165 1.488 785 HG23 ILE 14 3HG2 ILE 14 -7.950 6.137 2.916 786 HD11 ILE 14 3HD1 ILE 14 -8.225 3.108 2.848 787 HD12 ILE 14 1HD1 ILE 14 -9.717 3.014 3.780 788 HD13 ILE 14 2HD1 ILE 14 -8.700 4.446 3.901 789 H VAL 15 H VAL 15 -9.904 8.289 -0.862 790 HA VAL 15 HA VAL 15 -7.406 8.150 -2.427 791 HB VAL 15 HB VAL 15 -9.293 10.536 -2.027 792 HG11 VAL 15 1HG1 VAL 15 -7.001 10.189 -4.015 793 HG12 VAL 15 2HG1 VAL 15 -7.004 11.249 -2.603 794 HG13 VAL 15 3HG1 VAL 15 -8.110 11.561 -3.937 795 HG21 VAL 15 3HG2 VAL 15 -9.110 8.627 -4.399 796 HG22 VAL 15 1HG2 VAL 15 -10.124 10.071 -4.307 797 HG23 VAL 15 2HG2 VAL 15 -10.430 8.711 -3.228 798 H LEU 16 H LEU 16 -5.487 8.772 -1.553 799 HA LEU 16 HA LEU 16 -5.438 9.665 1.258 800 HB2 LEU 16 2HB LEU 16 -3.154 8.596 -0.462 801 HB3 LEU 16 1HB LEU 16 -3.098 8.891 1.270 802 HG LEU 16 HG LEU 16 -4.823 6.795 -0.103 803 HD11 LEU 16 1HD1 LEU 16 -2.462 6.165 -0.154 804 HD12 LEU 16 2HD1 LEU 16 -3.361 5.129 0.951 805 HD13 LEU 16 3HD1 LEU 16 -2.334 6.417 1.589 806 HD21 LEU 16 3HD2 LEU 16 -5.918 7.678 1.883 807 HD22 LEU 16 1HD2 LEU 16 -4.473 7.366 2.847 808 HD23 LEU 16 2HD2 LEU 16 -5.383 6.023 2.152 809 H SER 17 H SER 17 -4.586 10.747 -1.970 810 HA SER 17 HA SER 17 -3.867 13.381 -1.216 811 HB2 SER 17 2HB SER 17 -1.590 11.493 -1.971 812 HB3 SER 17 1HB SER 17 -1.466 13.241 -2.129 813 HG SER 17 HG SER 17 -1.235 11.701 0.069 814 H GLU 18 H GLU 18 -3.532 14.681 -2.977 815 HA GLU 18 HA GLU 18 -3.975 13.635 -5.718 816 HB2 GLU 18 2HB GLU 18 -6.108 14.602 -4.862 817 HB3 GLU 18 1HB GLU 18 -5.288 16.108 -4.462 818 HG2 GLU 18 2HG GLU 18 -4.869 16.562 -6.819 819 HG3 GLU 18 1HG GLU 18 -5.547 15.003 -7.286 820 H ASN 19 H ASN 19 -2.564 14.541 -7.219 821 HA ASN 19 HA ASN 19 -0.270 15.942 -5.984 822 HB2 ASN 19 2HB ASN 19 -0.041 13.895 -7.466 823 HB3 ASN 19 1HB ASN 19 -0.513 14.883 -8.838 824 HD21 ASN 19 1HD2 ASN 19 1.437 14.460 -9.874 825 HD22 ASN 19 2HD2 ASN 19 2.938 15.145 -9.363 826 H ALA 20 H ALA 20 0.891 17.704 -7.316 827 HA ALA 20 HA ALA 20 -0.838 19.844 -8.124 828 HB1 ALA 20 3HB ALA 20 1.375 20.227 -7.121 829 HB2 ALA 20 1HB ALA 20 1.249 21.024 -8.689 830 HB3 ALA 20 2HB ALA 20 2.153 19.514 -8.529 831 H LYS 21 H LYS 21 0.373 17.090 -9.744 832 HA LYS 21 HA LYS 21 -0.377 18.065 -12.431 833 HB2 LYS 21 2HB LYS 21 0.829 15.388 -11.577 834 HB3 LYS 21 1HB LYS 21 0.529 15.896 -13.233 835 HG2 LYS 21 2HG LYS 21 2.524 17.125 -11.316 836 HG3 LYS 21 1HG LYS 21 2.899 16.080 -12.686 837 HD2 LYS 21 2HD LYS 21 1.637 18.842 -12.854 838 HD3 LYS 21 1HD LYS 21 3.324 18.466 -13.202 839 HE2 LYS 21 2HE LYS 21 2.629 17.043 -15.098 840 HE3 LYS 21 1HE LYS 21 0.932 17.368 -14.729 841 HZ1 LYS 21 3HZ LYS 21 1.276 19.690 -15.224 842 HZ2 LYS 21 1HZ LYS 21 1.778 18.757 -16.536 843 HZ3 LYS 21 2HZ LYS 21 2.922 19.439 -15.500 844 H GLY 22 H GLY 22 -1.767 16.762 -9.735 845 HA2 GLY 22 2HA GLY 22 -4.076 16.403 -9.530 846 HA3 GLY 22 1HA GLY 22 -4.127 15.740 -11.166 847 H TRP 23 H TRP 23 -1.610 14.197 -10.608 848 HA TRP 23 HA TRP 23 -2.677 11.720 -10.445 849 HB2 TRP 23 2HB TRP 23 0.119 12.724 -9.894 850 HB3 TRP 23 1HB TRP 23 -0.240 11.012 -9.723 851 HD1 TRP 23 HD1 TRP 23 -0.669 13.730 -12.510 852 HE1 TRP 23 HE1 TRP 23 -0.148 12.625 -14.758 853 HE3 TRP 23 HE3 TRP 23 0.176 8.939 -10.884 854 HZ2 TRP 23 HZ2 TRP 23 0.522 10.025 -15.742 855 HZ3 TRP 23 HZ3 TRP 23 0.763 7.210 -12.532 856 HH2 TRP 23 HH2 TRP 23 0.933 7.745 -14.912 857 H ARG 24 H ARG 24 -3.615 10.519 -8.921 858 HA ARG 24 HA ARG 24 -3.591 11.515 -6.147 859 HB2 ARG 24 2HB ARG 24 -5.603 9.886 -7.729 860 HB3 ARG 24 1HB ARG 24 -5.725 10.130 -5.987 861 HG2 ARG 24 2HG ARG 24 -6.059 12.471 -6.223 862 HG3 ARG 24 1HG ARG 24 -5.588 12.453 -7.921 863 HD2 ARG 24 2HD ARG 24 -7.595 11.006 -8.385 864 HD3 ARG 24 1HD ARG 24 -8.077 11.231 -6.698 865 HE ARG 24 HE ARG 24 -7.733 13.770 -7.662 866 HH11 ARG 24 1HH1 ARG 24 -9.742 11.034 -8.592 867 HH12 ARG 24 2HH1 ARG 24 -11.014 12.036 -9.219 868 HH21 ARG 24 1HH2 ARG 24 -9.401 15.062 -8.438 869 HH22 ARG 24 2HH2 ARG 24 -10.813 14.331 -9.135 870 H LYS 25 H LYS 25 -2.515 10.404 -4.702 871 HA LYS 25 HA LYS 25 -1.767 7.603 -5.090 872 HB2 LYS 25 2HB LYS 25 -1.311 9.533 -2.750 873 HB3 LYS 25 1HB LYS 25 -0.726 7.868 -2.800 874 HG2 LYS 25 2HG LYS 25 0.666 8.392 -4.767 875 HG3 LYS 25 1HG LYS 25 0.057 10.050 -4.760 876 HD2 LYS 25 2HD LYS 25 2.292 9.932 -3.745 877 HD3 LYS 25 1HD LYS 25 1.087 10.444 -2.562 878 HE2 LYS 25 2HE LYS 25 1.007 8.061 -1.728 879 HE3 LYS 25 1HE LYS 25 2.355 7.698 -2.812 880 HZ1 LYS 25 3HZ LYS 25 3.054 8.204 -0.545 881 HZ2 LYS 25 1HZ LYS 25 2.419 9.756 -0.676 882 HZ3 LYS 25 2HZ LYS 25 3.705 9.281 -1.657 883 H GLU 26 H GLU 26 -3.542 6.338 -4.995 884 HA GLU 26 HA GLU 26 -5.399 6.603 -2.700 885 HB2 GLU 26 2HB GLU 26 -7.312 6.244 -4.260 886 HB3 GLU 26 1HB GLU 26 -6.438 7.731 -4.600 887 HG2 GLU 26 2HG GLU 26 -5.251 6.557 -6.469 888 HG3 GLU 26 1HG GLU 26 -6.250 5.138 -6.170 889 H LEU 27 H LEU 27 -6.727 4.817 -2.345 890 HA LEU 27 HA LEU 27 -5.715 2.158 -3.069 891 HB2 LEU 27 2HB LEU 27 -5.494 2.643 -0.669 892 HB3 LEU 27 1HB LEU 27 -7.160 3.187 -0.584 893 HG LEU 27 HG LEU 27 -7.907 0.836 -1.081 894 HD11 LEU 27 1HD1 LEU 27 -5.934 -0.048 -2.213 895 HD12 LEU 27 2HD1 LEU 27 -6.342 -1.040 -0.816 896 HD13 LEU 27 3HD1 LEU 27 -4.988 0.088 -0.728 897 HD21 LEU 27 3HD2 LEU 27 -7.492 -0.014 1.178 898 HD22 LEU 27 1HD2 LEU 27 -7.862 1.709 1.208 899 HD23 LEU 27 2HD2 LEU 27 -6.195 1.159 1.401 900 H ASN 28 H ASN 28 -7.036 1.130 -4.363 901 HA ASN 28 HA ASN 28 -9.961 1.381 -4.238 902 HB2 ASN 28 2HB ASN 28 -10.175 1.741 -6.640 903 HB3 ASN 28 1HB ASN 28 -9.137 2.994 -5.986 904 HD21 ASN 28 1HD2 ASN 28 -6.712 1.194 -5.935 905 HD22 ASN 28 2HD2 ASN 28 -6.257 1.020 -7.586 906 H ARG 29 H ARG 29 -10.989 -0.412 -5.556 907 HA ARG 29 HA ARG 29 -9.444 -2.905 -5.461 908 HB2 ARG 29 2HB ARG 29 -12.464 -2.409 -5.574 909 HB3 ARG 29 1HB ARG 29 -11.713 -4.002 -5.680 910 HG2 ARG 29 2HG ARG 29 -10.824 -3.783 -3.419 911 HG3 ARG 29 1HG ARG 29 -11.460 -2.139 -3.307 912 HD2 ARG 29 2HD ARG 29 -12.908 -3.700 -2.118 913 HD3 ARG 29 1HD ARG 29 -13.756 -3.002 -3.499 914 HE ARG 29 HE ARG 29 -12.538 -5.704 -3.570 915 HH11 ARG 29 1HH1 ARG 29 -15.348 -3.636 -4.152 916 HH12 ARG 29 2HH1 ARG 29 -16.273 -4.925 -4.860 917 HH21 ARG 29 1HH2 ARG 29 -13.790 -7.363 -4.462 918 HH22 ARG 29 2HH2 ARG 29 -15.393 -7.025 -5.031 919 H VAL 30 H VAL 30 -8.832 -3.724 -7.332 920 HA VAL 30 HA VAL 30 -10.083 -2.843 -9.883 921 HB VAL 30 HB VAL 30 -7.077 -3.247 -9.367 922 HG11 VAL 30 1HG1 VAL 30 -8.475 -2.470 -11.965 923 HG12 VAL 30 2HG1 VAL 30 -7.669 -4.005 -11.635 924 HG13 VAL 30 3HG1 VAL 30 -6.727 -2.518 -11.707 925 HG21 VAL 30 3HG2 VAL 30 -8.613 -0.697 -10.027 926 HG22 VAL 30 1HG2 VAL 30 -6.856 -0.831 -9.877 927 HG23 VAL 30 2HG2 VAL 30 -7.886 -1.102 -8.472 928 H SER 31 H SER 31 -10.274 -4.390 -11.458 929 HA SER 31 HA SER 31 -9.660 -7.213 -10.797 930 HB2 SER 31 2HB SER 31 -12.050 -6.826 -11.263 931 HB3 SER 31 1HB SER 31 -11.654 -6.019 -12.780 932 HG SER 31 HG SER 31 -12.139 -8.052 -13.346 933 H TRP 32 H TRP 32 -8.070 -8.120 -11.986 934 HA TRP 32 HA TRP 32 -6.949 -6.650 -14.294 935 HB2 TRP 32 2HB TRP 32 -5.634 -8.650 -12.401 936 HB3 TRP 32 1HB TRP 32 -4.841 -7.938 -13.805 937 HD1 TRP 32 HD1 TRP 32 -5.945 -7.073 -10.214 938 HE1 TRP 32 HE1 TRP 32 -4.791 -4.872 -9.520 939 HE3 TRP 32 HE3 TRP 32 -3.989 -5.685 -14.753 940 HZ2 TRP 32 HZ2 TRP 32 -3.339 -2.795 -10.736 941 HZ3 TRP 32 HZ3 TRP 32 -2.732 -3.573 -14.897 942 HH2 TRP 32 HH2 TRP 32 -2.412 -2.155 -12.927 943 H ASN 33 H ASN 33 -7.669 -7.436 -16.124 944 HA ASN 33 HA ASN 33 -8.265 -8.771 -17.867 945 HB2 ASN 33 2HB ASN 33 -6.284 -10.568 -16.410 946 HB3 ASN 33 1HB ASN 33 -7.133 -11.185 -17.825 947 HD21 ASN 33 1HD2 ASN 33 -4.274 -10.536 -17.285 948 HD22 ASN 33 2HD2 ASN 33 -3.813 -9.557 -18.628 949 H ASP 34 H ASP 34 -10.187 -8.528 -15.989 950 HA ASP 34 HA ASP 34 -12.132 -9.318 -15.165 951 HB2 ASP 34 2HB ASP 34 -11.783 -11.441 -17.335 952 HB3 ASP 34 1HB ASP 34 -13.287 -11.098 -16.483 953 H ALA 35 H ALA 35 -9.671 -10.341 -13.874 954 HA ALA 35 HA ALA 35 -10.406 -13.053 -12.972 955 HB1 ALA 35 3HB ALA 35 -8.163 -13.068 -11.929 956 HB2 ALA 35 1HB ALA 35 -7.906 -11.398 -12.443 957 HB3 ALA 35 2HB ALA 35 -8.055 -12.677 -13.648 958 H GLU 36 H GLU 36 -9.519 -13.054 -10.401 959 HA GLU 36 HA GLU 36 -11.374 -12.004 -8.735 960 HB2 GLU 36 2HB GLU 36 -9.757 -12.313 -6.864 961 HB3 GLU 36 1HB GLU 36 -9.730 -13.659 -7.995 962 HG2 GLU 36 2HG GLU 36 -7.660 -12.762 -9.026 963 HG3 GLU 36 1HG GLU 36 -7.690 -11.417 -7.889 964 HA PRO 37 HA PRO 37 -10.427 -7.483 -8.545 965 HB2 PRO 37 2HB PRO 37 -12.546 -7.555 -6.418 966 HB3 PRO 37 1HB PRO 37 -12.463 -6.566 -7.893 967 HG2 PRO 37 2HG PRO 37 -14.198 -8.587 -7.704 968 HG3 PRO 37 1HG PRO 37 -13.379 -8.226 -9.240 969 HD2 PRO 37 2HD PRO 37 -12.741 -10.388 -7.223 970 HD3 PRO 37 1HD PRO 37 -12.819 -10.477 -9.001 971 H LYS 38 H LYS 38 -8.829 -6.665 -7.254 972 HA LYS 38 HA LYS 38 -8.414 -7.783 -4.565 973 HB2 LYS 38 2HB LYS 38 -5.998 -7.919 -5.036 974 HB3 LYS 38 1HB LYS 38 -6.910 -8.950 -6.126 975 HG2 LYS 38 2HG LYS 38 -6.659 -7.274 -7.933 976 HG3 LYS 38 1HG LYS 38 -5.762 -6.225 -6.831 977 HD2 LYS 38 2HD LYS 38 -4.235 -7.470 -8.323 978 HD3 LYS 38 1HD LYS 38 -3.977 -7.915 -6.634 979 HE2 LYS 38 2HE LYS 38 -5.293 -9.968 -6.964 980 HE3 LYS 38 1HE LYS 38 -5.598 -9.519 -8.645 981 HZ1 LYS 38 3HZ LYS 38 -3.191 -9.615 -9.027 982 HZ2 LYS 38 1HZ LYS 38 -3.814 -11.102 -8.523 983 HZ3 LYS 38 2HZ LYS 38 -2.953 -10.135 -7.440 984 H TYR 39 H TYR 39 -6.914 -6.398 -3.289 985 HA TYR 39 HA TYR 39 -7.814 -3.658 -3.508 986 HB2 TYR 39 2HB TYR 39 -6.203 -5.087 -1.358 987 HB3 TYR 39 1HB TYR 39 -6.875 -3.461 -1.227 988 HD1 TYR 39 HD2 TYR 39 -9.344 -3.138 -1.019 989 HD2 TYR 39 HD1 TYR 39 -7.671 -7.072 -1.155 990 HE1 TYR 39 HE2 TYR 39 -11.455 -4.072 -0.187 991 HE2 TYR 39 HE1 TYR 39 -9.793 -8.000 -0.329 992 HH TYR 39 HH TYR 39 -11.750 -7.251 0.959 993 H ASP 40 H ASP 40 -6.691 -2.211 -4.410 994 HA ASP 40 HA ASP 40 -3.894 -2.661 -5.293 995 HB2 ASP 40 2HB ASP 40 -5.686 -2.870 -7.077 996 HB3 ASP 40 1HB ASP 40 -6.172 -1.214 -6.735 997 H ILE 41 H ILE 41 -2.457 -1.009 -4.763 998 HA ILE 41 HA ILE 41 -3.546 1.621 -3.995 999 HB ILE 41 HB ILE 41 -3.450 0.616 -1.824 1000 HG12 ILE 41 2HG1 ILE 41 -0.937 2.317 -2.184 1001 HG13 ILE 41 1HG1 ILE 41 -2.564 2.933 -1.930 1002 HG21 ILE 41 1HG2 ILE 41 -0.633 -0.334 -2.388 1003 HG22 ILE 41 2HG2 ILE 41 -2.074 -1.344 -2.305 1004 HG23 ILE 41 3HG2 ILE 41 -1.493 -0.522 -0.856 1005 HD11 ILE 41 3HD1 ILE 41 -1.270 3.099 0.088 1006 HD12 ILE 41 1HD1 ILE 41 -0.900 1.375 0.051 1007 HD13 ILE 41 2HD1 ILE 41 -2.559 1.920 0.325 1008 H ARG 42 H ARG 42 -2.477 3.128 -4.885 1009 HA ARG 42 HA ARG 42 0.307 3.284 -5.475 1010 HB2 ARG 42 2HB ARG 42 0.336 2.986 -7.920 1011 HB3 ARG 42 1HB ARG 42 -0.139 1.491 -7.121 1012 HG2 ARG 42 2HG ARG 42 -2.382 1.670 -7.842 1013 HG3 ARG 42 1HG ARG 42 -2.218 3.390 -8.212 1014 HD2 ARG 42 2HD ARG 42 -2.294 1.909 -10.238 1015 HD3 ARG 42 1HD ARG 42 -0.866 2.939 -10.138 1016 HE ARG 42 HE ARG 42 0.474 1.064 -9.745 1017 HH11 ARG 42 1HH1 ARG 42 -2.893 0.126 -10.070 1018 HH12 ARG 42 2HH1 ARG 42 -2.536 -1.551 -10.270 1019 HH21 ARG 42 1HH2 ARG 42 0.931 -1.170 -9.949 1020 HH22 ARG 42 2HH2 ARG 42 -0.369 -2.289 -10.208 1021 H THR 43 H THR 43 0.569 4.954 -7.544 1022 HA THR 43 HA THR 43 -1.310 7.146 -7.068 1023 HB THR 43 HB THR 43 1.301 7.191 -8.660 1024 HG1 THR 43 HG1 THR 43 0.904 7.026 -5.944 1025 HG21 THR 43 3HG2 THR 43 1.223 9.614 -8.159 1026 HG22 THR 43 1HG2 THR 43 -0.297 9.391 -7.287 1027 HG23 THR 43 2HG2 THR 43 -0.227 9.109 -9.028 1028 H TRP 44 H TRP 44 -2.857 7.418 -8.545 1029 HA TRP 44 HA TRP 44 -2.629 6.380 -11.317 1030 HB2 TRP 44 2HB TRP 44 -5.093 6.954 -9.592 1031 HB3 TRP 44 1HB TRP 44 -5.174 6.603 -11.310 1032 HD1 TRP 44 HD1 TRP 44 -4.741 4.867 -7.917 1033 HE1 TRP 44 HE1 TRP 44 -5.092 2.330 -8.270 1034 HE3 TRP 44 HE3 TRP 44 -4.766 4.721 -13.033 1035 HZ2 TRP 44 HZ2 TRP 44 -5.299 0.520 -10.392 1036 HZ3 TRP 44 HZ3 TRP 44 -5.044 2.544 -14.144 1037 HH2 TRP 44 HH2 TRP 44 -5.305 0.484 -12.854 1038 H SER 45 H SER 45 -3.862 7.829 -12.866 1039 HA SER 45 HA SER 45 -3.679 10.702 -12.269 1040 HB2 SER 45 2HB SER 45 -4.670 9.179 -14.725 1041 HB3 SER 45 1HB SER 45 -4.648 10.943 -14.604 1042 HG SER 45 HG SER 45 -2.280 9.772 -13.895 1043 HA PRO 46 HA PRO 46 -8.090 11.251 -11.074 1044 HB2 PRO 46 2HB PRO 46 -8.794 13.430 -12.706 1045 HB3 PRO 46 1HB PRO 46 -7.973 13.563 -11.139 1046 HG2 PRO 46 2HG PRO 46 -6.763 13.575 -13.894 1047 HG3 PRO 46 1HG PRO 46 -6.410 14.632 -12.502 1048 HD2 PRO 46 2HD PRO 46 -4.775 12.610 -13.090 1049 HD3 PRO 46 1HD PRO 46 -5.169 12.962 -11.391 1050 H ASP 47 H ASP 47 -7.169 11.257 -14.503 1051 HA ASP 47 HA ASP 47 -9.695 10.349 -15.563 1052 HB2 ASP 47 2HB ASP 47 -6.900 10.277 -16.806 1053 HB3 ASP 47 1HB ASP 47 -8.413 10.066 -17.678 1054 H HIS 48 H HIS 48 -7.139 8.787 -13.902 1055 HA HIS 48 HA HIS 48 -6.656 6.674 -13.294 1056 HB2 HIS 48 2HB HIS 48 -9.592 6.337 -13.983 1057 HB3 HIS 48 1HB HIS 48 -8.644 5.088 -13.179 1058 HD1 HIS 48 HD1 HIS 48 -10.843 7.772 -12.374 1059 HD2 HIS 48 HD2 HIS 48 -7.376 6.232 -10.693 1060 HE1 HIS 48 HE1 HIS 48 -10.836 8.574 -9.992 1061 HE2 HIS 48 HE2 HIS 48 -8.852 7.428 -8.962 1062 H GLU 49 H GLU 49 -6.596 7.344 -16.305 1063 HA GLU 49 HA GLU 49 -6.589 4.692 -17.558 1064 HB2 GLU 49 2HB GLU 49 -5.971 5.975 -19.628 1065 HB3 GLU 49 1HB GLU 49 -7.473 6.545 -18.904 1066 HG2 GLU 49 2HG GLU 49 -6.291 8.459 -17.905 1067 HG3 GLU 49 1HG GLU 49 -4.766 7.871 -18.565 1068 H LYS 50 H LYS 50 -4.529 6.766 -15.848 1069 HA LYS 50 HA LYS 50 -2.067 5.473 -16.835 1070 HB2 LYS 50 2HB LYS 50 -2.479 8.302 -15.786 1071 HB3 LYS 50 1HB LYS 50 -0.904 7.599 -16.081 1072 HG2 LYS 50 2HG LYS 50 -2.922 7.848 -18.317 1073 HG3 LYS 50 1HG LYS 50 -1.937 9.224 -17.828 1074 HD2 LYS 50 2HD LYS 50 -0.792 8.229 -19.661 1075 HD3 LYS 50 1HD LYS 50 0.113 7.770 -18.224 1076 HE2 LYS 50 2HE LYS 50 -1.035 5.566 -18.255 1077 HE3 LYS 50 1HE LYS 50 -1.828 6.023 -19.766 1078 HZ1 LYS 50 3HZ LYS 50 0.359 6.235 -20.788 1079 HZ2 LYS 50 1HZ LYS 50 0.122 4.676 -20.179 1080 HZ3 LYS 50 2HZ LYS 50 1.106 5.768 -19.345 1081 H MET 51 H MET 51 -0.780 4.620 -15.335 1082 HA MET 51 HA MET 51 -1.493 4.756 -12.467 1083 HB2 MET 51 2HB MET 51 -1.013 2.325 -12.315 1084 HB3 MET 51 1HB MET 51 -2.359 2.644 -13.394 1085 HG2 MET 51 2HG MET 51 -0.873 2.317 -15.338 1086 HG3 MET 51 1HG MET 51 0.475 1.992 -14.246 1087 HE1 MET 51 3HE MET 51 -0.297 -1.545 -15.782 1088 HE2 MET 51 1HE MET 51 0.933 -0.305 -15.534 1089 HE3 MET 51 2HE MET 51 -0.432 0.005 -16.612 1090 H GLY 52 H GLY 52 0.370 3.954 -11.091 1091 HA2 GLY 52 2HA GLY 52 3.046 4.063 -12.282 1092 HA3 GLY 52 1HA GLY 52 2.612 5.392 -11.207 1093 H LYS 53 H LYS 53 4.344 4.744 -9.850 1094 HA LYS 53 HA LYS 53 4.922 2.227 -8.919 1095 HB2 LYS 53 2HB LYS 53 6.301 3.224 -7.201 1096 HB3 LYS 53 1HB LYS 53 6.440 4.183 -8.656 1097 HG2 LYS 53 2HG LYS 53 4.743 4.946 -6.263 1098 HG3 LYS 53 1HG LYS 53 6.388 5.515 -6.542 1099 HD2 LYS 53 2HD LYS 53 5.643 6.618 -8.635 1100 HD3 LYS 53 1HD LYS 53 3.999 6.044 -8.345 1101 HE2 LYS 53 2HE LYS 53 3.898 7.361 -6.257 1102 HE3 LYS 53 1HE LYS 53 5.543 7.944 -6.540 1103 HZ1 LYS 53 3HZ LYS 53 4.800 9.055 -8.531 1104 HZ2 LYS 53 1HZ LYS 53 3.820 9.533 -7.240 1105 HZ3 LYS 53 2HZ LYS 53 3.246 8.417 -8.367 1106 H GLY 54 H GLY 54 4.053 0.824 -7.496 1107 HA2 GLY 54 2HA GLY 54 2.731 1.420 -5.122 1108 HA3 GLY 54 1HA GLY 54 1.514 1.239 -6.381 1109 H ILE 55 H ILE 55 0.882 -0.555 -4.956 1110 HA ILE 55 HA ILE 55 2.197 -3.058 -5.661 1111 HB ILE 55 HB ILE 55 3.341 -2.215 -3.640 1112 HG12 ILE 55 2HG1 ILE 55 1.573 -4.585 -2.897 1113 HG13 ILE 55 1HG1 ILE 55 3.023 -4.683 -3.894 1114 HG21 ILE 55 1HG2 ILE 55 0.651 -2.261 -2.242 1115 HG22 ILE 55 2HG2 ILE 55 1.543 -0.817 -2.717 1116 HG23 ILE 55 3HG2 ILE 55 2.209 -1.896 -1.491 1117 HD11 ILE 55 3HD1 ILE 55 2.869 -3.906 -0.987 1118 HD12 ILE 55 1HD1 ILE 55 4.333 -3.786 -1.972 1119 HD13 ILE 55 2HD1 ILE 55 3.583 -5.350 -1.697 1120 H THR 56 H THR 56 0.860 -4.826 -5.534 1121 HA THR 56 HA THR 56 -2.053 -4.363 -5.265 1122 HB THR 56 HB THR 56 -2.198 -6.609 -6.524 1123 HG1 THR 56 HG1 THR 56 -0.022 -7.264 -6.092 1124 HG21 THR 56 3HG2 THR 56 -2.544 -4.449 -7.700 1125 HG22 THR 56 1HG2 THR 56 -1.722 -5.618 -8.736 1126 HG23 THR 56 2HG2 THR 56 -0.804 -4.320 -7.974 1127 H LEU 57 H LEU 57 -3.311 -5.649 -3.923 1128 HA LEU 57 HA LEU 57 -2.006 -7.533 -2.049 1129 HB2 LEU 57 2HB LEU 57 -4.086 -5.414 -1.308 1130 HB3 LEU 57 1HB LEU 57 -3.358 -6.574 -0.208 1131 HG LEU 57 HG LEU 57 -1.860 -4.320 -1.594 1132 HD11 LEU 57 1HD1 LEU 57 -1.810 -3.234 0.615 1133 HD12 LEU 57 2HD1 LEU 57 -2.825 -4.513 1.282 1134 HD13 LEU 57 3HD1 LEU 57 -3.464 -3.435 0.036 1135 HD21 LEU 57 3HD2 LEU 57 -0.385 -6.202 -1.138 1136 HD22 LEU 57 1HD2 LEU 57 -0.943 -6.280 0.536 1137 HD23 LEU 57 2HD2 LEU 57 -0.022 -4.882 -0.029 1138 H SER 58 H SER 58 -3.482 -9.114 -1.222 1139 HA SER 58 HA SER 58 -5.821 -9.664 -2.950 1140 HB2 SER 58 2HB SER 58 -4.287 -11.568 -1.111 1141 HB3 SER 58 1HB SER 58 -5.518 -12.007 -2.303 1142 HG SER 58 HG SER 58 -3.014 -10.789 -2.847 1143 H GLU 59 H GLU 59 -7.604 -10.932 -1.712 1144 HA GLU 59 HA GLU 59 -8.808 -9.379 0.239 1145 HB2 GLU 59 2HB GLU 59 -9.229 -12.349 -0.316 1146 HB3 GLU 59 1HB GLU 59 -10.370 -11.287 0.506 1147 HG2 GLU 59 2HG GLU 59 -10.828 -10.050 -1.484 1148 HG3 GLU 59 1HG GLU 59 -9.454 -10.759 -2.331 1149 H GLU 60 H GLU 60 -6.952 -12.371 0.641 1150 HA GLU 60 HA GLU 60 -7.117 -12.750 3.413 1151 HB2 GLU 60 2HB GLU 60 -4.833 -13.445 1.509 1152 HB3 GLU 60 1HB GLU 60 -5.025 -14.107 3.131 1153 HG2 GLU 60 2HG GLU 60 -7.095 -15.219 2.471 1154 HG3 GLU 60 1HG GLU 60 -7.000 -14.491 0.867 1155 H GLU 61 H GLU 61 -4.593 -11.148 1.519 1156 HA GLU 61 HA GLU 61 -2.810 -10.610 3.658 1157 HB2 GLU 61 2HB GLU 61 -2.946 -9.284 0.910 1158 HB3 GLU 61 1HB GLU 61 -1.540 -9.337 1.977 1159 HG2 GLU 61 2HG GLU 61 -1.282 -11.692 1.681 1160 HG3 GLU 61 1HG GLU 61 -2.843 -11.835 0.868 1161 H PHE 62 H PHE 62 -4.961 -8.489 1.783 1162 HA PHE 62 HA PHE 62 -4.598 -6.139 3.297 1163 HB2 PHE 62 2HB PHE 62 -5.547 -6.200 0.987 1164 HB3 PHE 62 1HB PHE 62 -7.015 -6.943 1.610 1165 HD1 PHE 62 HD2 PHE 62 -4.959 -3.833 1.653 1166 HD2 PHE 62 HD1 PHE 62 -8.748 -5.572 2.600 1167 HE1 PHE 62 HE2 PHE 62 -5.901 -1.594 2.027 1168 HE2 PHE 62 HE1 PHE 62 -9.679 -3.326 2.977 1169 HZ PHE 62 HZ PHE 62 -8.258 -1.336 2.687 1170 H GLY 63 H GLY 63 -6.901 -8.890 3.660 1171 HA2 GLY 63 2HA GLY 63 -8.459 -7.901 5.756 1172 HA3 GLY 63 1HA GLY 63 -8.063 -9.597 5.496 1173 H VAL 64 H VAL 64 -5.320 -9.608 5.878 1174 HA VAL 64 HA VAL 64 -4.974 -9.629 8.680 1175 HB VAL 64 HB VAL 64 -2.828 -9.595 6.505 1176 HG11 VAL 64 1HG1 VAL 64 -1.848 -8.989 8.669 1177 HG12 VAL 64 2HG1 VAL 64 -1.326 -10.606 8.203 1178 HG13 VAL 64 3HG1 VAL 64 -2.578 -10.407 9.431 1179 HG21 VAL 64 3HG2 VAL 64 -2.791 -12.055 6.756 1180 HG22 VAL 64 1HG2 VAL 64 -4.377 -11.485 6.246 1181 HG23 VAL 64 2HG2 VAL 64 -4.115 -11.965 7.922 1182 H LEU 65 H LEU 65 -4.121 -7.240 6.170 1183 HA LEU 65 HA LEU 65 -2.712 -5.378 7.690 1184 HB2 LEU 65 2HB LEU 65 -3.009 -5.401 5.178 1185 HB3 LEU 65 1HB LEU 65 -4.641 -4.801 5.407 1186 HG LEU 65 HG LEU 65 -3.603 -2.733 6.528 1187 HD11 LEU 65 1HD1 LEU 65 -1.035 -3.826 5.347 1188 HD12 LEU 65 2HD1 LEU 65 -1.408 -3.657 7.065 1189 HD13 LEU 65 3HD1 LEU 65 -1.265 -2.225 6.052 1190 HD21 LEU 65 3HD2 LEU 65 -4.478 -2.671 4.236 1191 HD22 LEU 65 1HD2 LEU 65 -2.925 -3.229 3.608 1192 HD23 LEU 65 2HD2 LEU 65 -3.051 -1.652 4.393 1193 H LEU 66 H LEU 66 -6.255 -5.568 7.021 1194 HA LEU 66 HA LEU 66 -7.108 -3.359 8.521 1195 HB2 LEU 66 2HB LEU 66 -8.588 -5.947 7.870 1196 HB3 LEU 66 1HB LEU 66 -9.355 -4.489 8.482 1197 HG LEU 66 HG LEU 66 -7.961 -4.766 5.796 1198 HD11 LEU 66 1HD1 LEU 66 -10.201 -4.525 4.819 1199 HD12 LEU 66 2HD1 LEU 66 -10.915 -4.484 6.432 1200 HD13 LEU 66 3HD1 LEU 66 -10.105 -5.945 5.860 1201 HD21 LEU 66 3HD2 LEU 66 -8.790 -2.499 5.304 1202 HD22 LEU 66 1HD2 LEU 66 -7.660 -2.501 6.657 1203 HD23 LEU 66 2HD2 LEU 66 -9.392 -2.355 6.956 1204 H LYS 67 H LYS 67 -6.600 -6.725 9.455 1205 HA LYS 67 HA LYS 67 -7.723 -6.727 12.052 1206 HB2 LYS 67 2HB LYS 67 -5.525 -8.361 10.735 1207 HB3 LYS 67 1HB LYS 67 -6.040 -8.675 12.390 1208 HG2 LYS 67 2HG LYS 67 -8.206 -9.373 11.702 1209 HG3 LYS 67 1HG LYS 67 -7.989 -8.725 10.073 1210 HD2 LYS 67 2HD LYS 67 -7.780 -11.290 10.367 1211 HD3 LYS 67 1HD LYS 67 -6.531 -10.471 9.430 1212 HE2 LYS 67 2HE LYS 67 -5.588 -12.164 10.982 1213 HE3 LYS 67 1HE LYS 67 -5.000 -10.541 11.337 1214 HZ1 LYS 67 3HZ LYS 67 -5.729 -11.974 13.274 1215 HZ2 LYS 67 1HZ LYS 67 -7.312 -11.708 12.764 1216 HZ3 LYS 67 2HZ LYS 67 -6.346 -10.406 13.232 1217 H GLU 68 H GLU 68 -4.296 -6.399 11.079 1218 HA GLU 68 HA GLU 68 -3.449 -5.939 13.788 1219 HB2 GLU 68 2HB GLU 68 -1.779 -5.661 11.270 1220 HB3 GLU 68 1HB GLU 68 -1.190 -5.881 12.910 1221 HG2 GLU 68 2HG GLU 68 -2.634 -7.904 11.181 1222 HG3 GLU 68 1HG GLU 68 -0.959 -7.960 11.720 1223 H LEU 69 H LEU 69 -4.247 -3.896 11.049 1224 HA LEU 69 HA LEU 69 -3.403 -1.405 12.193 1225 HB2 LEU 69 2HB LEU 69 -5.595 -2.030 10.163 1226 HB3 LEU 69 1HB LEU 69 -5.232 -0.393 10.694 1227 HG LEU 69 HG LEU 69 -3.299 -2.221 9.212 1228 HD11 LEU 69 1HD1 LEU 69 -4.840 0.183 8.205 1229 HD12 LEU 69 2HD1 LEU 69 -5.144 -1.505 7.786 1230 HD13 LEU 69 3HD1 LEU 69 -3.635 -0.738 7.299 1231 HD21 LEU 69 3HD2 LEU 69 -2.102 -0.677 10.680 1232 HD22 LEU 69 1HD2 LEU 69 -2.978 0.691 9.979 1233 HD23 LEU 69 2HD2 LEU 69 -1.872 -0.261 8.985 1234 H GLY 70 H GLY 70 -6.379 -3.372 12.361 1235 HA2 GLY 70 2HA GLY 70 -7.958 -1.745 14.019 1236 HA3 GLY 70 1HA GLY 70 -8.021 -3.498 13.960 1237 H ASN 71 H ASN 71 -5.356 -3.974 14.837 1238 HA ASN 71 HA ASN 71 -5.438 -3.674 17.694 1239 HB2 ASN 71 2HB ASN 71 -3.025 -4.261 15.915 1240 HB3 ASN 71 1HB ASN 71 -3.072 -4.478 17.666 1241 HD21 ASN 71 1HD2 ASN 71 -2.571 -6.454 15.595 1242 HD22 ASN 71 2HD2 ASN 71 -3.754 -7.691 15.802 1243 H LYS 72 H LYS 72 -3.354 -2.140 15.301 1244 HA LYS 72 HA LYS 72 -2.346 0.012 16.772 1245 HB2 LYS 72 2HB LYS 72 -3.052 -0.051 13.810 1246 HB3 LYS 72 1HB LYS 72 -2.109 1.235 14.565 1247 HG2 LYS 72 2HG LYS 72 -0.414 -0.433 15.247 1248 HG3 LYS 72 1HG LYS 72 -1.331 -1.689 14.411 1249 HD2 LYS 72 2HD LYS 72 -0.951 -0.637 12.268 1250 HD3 LYS 72 1HD LYS 72 -0.248 0.786 13.032 1251 HE2 LYS 72 2HE LYS 72 0.945 -2.003 13.021 1252 HE3 LYS 72 1HE LYS 72 1.510 -0.622 12.087 1253 HZ1 LYS 72 3HZ LYS 72 1.526 -0.853 15.050 1254 HZ2 LYS 72 1HZ LYS 72 2.003 0.522 14.185 1255 HZ3 LYS 72 2HZ LYS 72 2.866 -0.922 14.030 1256 H LEU 73 H LEU 73 -5.619 -0.381 15.688 1257 HA LEU 73 HA LEU 73 -6.356 2.420 16.314 1258 HB2 LEU 73 2HB LEU 73 -7.577 0.588 14.210 1259 HB3 LEU 73 1HB LEU 73 -8.182 2.183 14.616 1260 HG LEU 73 HG LEU 73 -5.485 1.578 13.336 1261 HD11 LEU 73 1HD1 LEU 73 -7.363 1.198 11.813 1262 HD12 LEU 73 2HD1 LEU 73 -6.409 2.594 11.325 1263 HD13 LEU 73 3HD1 LEU 73 -7.966 2.833 12.122 1264 HD21 LEU 73 3HD2 LEU 73 -6.722 4.283 13.969 1265 HD22 LEU 73 1HD2 LEU 73 -5.232 4.017 13.062 1266 HD23 LEU 73 2HD2 LEU 73 -5.317 3.569 14.765 1267 H GLU 74 H GLU 74 -6.361 -0.060 18.036 1268 HA GLU 74 HA GLU 74 -8.757 -1.063 18.913 1269 HB2 GLU 74 2HB GLU 74 -6.706 0.288 20.700 1270 HB3 GLU 74 1HB GLU 74 -8.019 -0.717 21.305 1271 HG2 GLU 74 2HG GLU 74 -7.092 -2.676 20.271 1272 HG3 GLU 74 1HG GLU 74 -5.909 -1.721 19.389 1273 H HIS 75 H HIS 75 -7.676 2.244 19.580 1274 HA HIS 75 HA HIS 75 -10.451 3.117 19.141 1275 HB2 HIS 75 2HB HIS 75 -9.904 3.293 21.610 1276 HB3 HIS 75 1HB HIS 75 -8.588 4.389 21.209 1277 HD1 HIS 75 HD1 HIS 75 -12.361 4.162 20.797 1278 HD2 HIS 75 HD2 HIS 75 -9.366 7.030 21.114 1279 HE1 HIS 75 HE1 HIS 75 -13.553 6.362 20.892 1280 HE2 HIS 75 HE2 HIS 75 -11.723 8.082 21.034 1281 H HIS 76 H HIS 76 -10.072 3.719 17.037 1282 HA HIS 76 HA HIS 76 -7.711 4.930 16.072 1283 HB2 HIS 76 2HB HIS 76 -8.895 5.394 13.982 1284 HB3 HIS 76 1HB HIS 76 -9.332 3.796 14.551 1285 HD1 HIS 76 HD1 HIS 76 -10.771 7.293 14.293 1286 HD2 HIS 76 HD2 HIS 76 -12.051 3.369 14.756 1287 HE1 HIS 76 HE1 HIS 76 -13.263 7.369 14.046 1288 HE2 HIS 76 HE2 HIS 76 -13.985 4.972 14.152 1289 H HIS 77 H HIS 77 -6.974 6.966 16.216 1290 HA HIS 77 HA HIS 77 -8.765 9.156 17.022 1291 HB2 HIS 77 2HB HIS 77 -7.197 9.845 18.831 1292 HB3 HIS 77 1HB HIS 77 -7.895 8.261 19.118 1293 HD1 HIS 77 HD1 HIS 77 -4.639 9.907 18.212 1294 HD2 HIS 77 HD2 HIS 77 -6.061 6.169 19.348 1295 HE1 HIS 77 HE1 HIS 77 -2.596 8.525 18.699 1296 HE2 HIS 77 HE2 HIS 77 -3.479 6.264 19.340 1297 H HIS 78 H HIS 78 -8.558 10.471 15.389 1298 HA HIS 78 HA HIS 78 -6.076 11.895 14.941 1299 HB2 HIS 78 2HB HIS 78 -6.213 9.833 13.280 1300 HB3 HIS 78 1HB HIS 78 -7.436 10.776 12.448 1301 HD1 HIS 78 HD1 HIS 78 -3.801 10.383 12.857 1302 HD2 HIS 78 HD2 HIS 78 -6.384 13.176 11.177 1303 HE1 HIS 78 HE1 HIS 78 -2.378 11.804 11.365 1304 HE2 HIS 78 HE2 HIS 78 -3.952 13.461 10.340 1305 H HIS 79 H HIS 79 -9.231 11.856 15.555 1306 HA HIS 79 HA HIS 79 -9.786 14.561 14.825 1307 HB2 HIS 79 2HB HIS 79 -10.253 13.552 12.615 1308 HB3 HIS 79 1HB HIS 79 -11.312 12.354 13.349 1309 HD1 HIS 79 HD1 HIS 79 -13.760 12.980 13.495 1310 HD2 HIS 79 HD2 HIS 79 -11.348 16.288 12.783 1311 HE1 HIS 79 HE1 HIS 79 -15.336 14.903 13.124 1312 HE2 HIS 79 HE2 HIS 79 -13.850 16.819 12.489 1313 H HIS 80 H HIS 80 -10.381 14.897 16.964 1314 HA HIS 80 HA HIS 80 -12.146 13.351 18.484 1315 HB2 HIS 80 2HB HIS 80 -12.291 15.159 20.052 1316 HB3 HIS 80 1HB HIS 80 -10.674 15.226 19.366 1317 HD1 HIS 80 HD1 HIS 80 -13.815 17.154 19.720 1318 HD2 HIS 80 HD2 HIS 80 -10.194 17.523 17.704 1319 HE1 HIS 80 HE1 HIS 80 -13.721 19.530 18.926 1320 HE2 HIS 80 HE2 HIS 80 -11.474 19.770 17.841 Start of MODEL 11 1 H1 MET 1 1H MET 1 22.745 16.641 -1.436 2 H2 MET 1 2H MET 1 21.147 16.121 -1.277 3 H3 MET 1 3H MET 1 21.487 17.585 -2.051 4 HA MET 1 HA MET 1 20.916 15.837 -3.609 5 HB2 MET 1 2HB MET 1 22.765 16.206 -5.159 6 HB3 MET 1 1HB MET 1 22.468 17.694 -4.266 7 HG2 MET 1 2HG MET 1 24.707 15.720 -3.753 8 HG3 MET 1 1HG MET 1 24.865 17.291 -4.534 9 HE1 MET 1 3HE MET 1 24.694 19.621 -3.239 10 HE2 MET 1 1HE MET 1 24.212 19.754 -1.547 11 HE3 MET 1 2HE MET 1 23.052 19.194 -2.750 12 H ALA 2 H ALA 2 21.504 13.822 -4.612 13 HA ALA 2 HA ALA 2 23.477 12.067 -3.389 14 HB1 ALA 2 3HB ALA 2 21.564 11.860 -1.846 15 HB2 ALA 2 1HB ALA 2 21.808 10.356 -2.741 16 HB3 ALA 2 2HB ALA 2 20.503 11.455 -3.197 17 H ASP 3 H ASP 3 23.966 10.297 -4.667 18 HA ASP 3 HA ASP 3 23.187 10.295 -7.462 19 HB2 ASP 3 2HB ASP 3 24.838 8.194 -5.981 20 HB3 ASP 3 1HB ASP 3 24.798 8.476 -7.721 21 H LYS 4 H LYS 4 22.199 8.803 -4.577 22 HA LYS 4 HA LYS 4 20.121 7.194 -5.768 23 HB2 LYS 4 2HB LYS 4 22.055 5.599 -5.849 24 HB3 LYS 4 1HB LYS 4 22.329 5.842 -4.127 25 HG2 LYS 4 2HG LYS 4 20.091 4.866 -3.652 26 HG3 LYS 4 1HG LYS 4 19.864 4.585 -5.379 27 HD2 LYS 4 2HD LYS 4 21.792 3.025 -5.378 28 HD3 LYS 4 1HD LYS 4 22.037 3.327 -3.651 29 HE2 LYS 4 2HE LYS 4 19.843 2.361 -3.145 30 HE3 LYS 4 1HE LYS 4 19.521 2.129 -4.865 31 HZ1 LYS 4 3HZ LYS 4 21.641 0.801 -3.280 32 HZ2 LYS 4 1HZ LYS 4 21.436 0.627 -4.943 33 HZ3 LYS 4 2HZ LYS 4 20.240 0.083 -3.885 34 H LEU 5 H LEU 5 18.635 6.420 -4.009 35 HA LEU 5 HA LEU 5 18.849 8.130 -1.604 36 HB2 LEU 5 2HB LEU 5 16.259 7.070 -2.806 37 HB3 LEU 5 1HB LEU 5 16.447 8.100 -1.387 38 HG LEU 5 HG LEU 5 16.891 8.867 -4.302 39 HD11 LEU 5 1HD1 LEU 5 14.556 8.824 -3.611 40 HD12 LEU 5 2HD1 LEU 5 15.088 10.477 -3.916 41 HD13 LEU 5 3HD1 LEU 5 14.913 9.902 -2.255 42 HD21 LEU 5 3HD2 LEU 5 17.463 11.143 -3.527 43 HD22 LEU 5 1HD2 LEU 5 18.655 9.949 -3.020 44 HD23 LEU 5 2HD2 LEU 5 17.482 10.569 -1.856 45 H LYS 6 H LYS 6 19.243 6.978 0.139 46 HA LYS 6 HA LYS 6 19.314 4.125 0.129 47 HB2 LYS 6 2HB LYS 6 19.654 6.045 2.477 48 HB3 LYS 6 1HB LYS 6 20.199 4.372 2.406 49 HG2 LYS 6 2HG LYS 6 21.274 6.670 0.726 50 HG3 LYS 6 1HG LYS 6 22.070 5.956 2.130 51 HD2 LYS 6 2HD LYS 6 21.465 4.514 -0.487 52 HD3 LYS 6 1HD LYS 6 23.037 5.159 -0.014 53 HE2 LYS 6 2HE LYS 6 21.532 2.931 1.410 54 HE3 LYS 6 1HE LYS 6 22.924 2.728 0.350 55 HZ1 LYS 6 3HZ LYS 6 24.274 3.945 1.898 56 HZ2 LYS 6 1HZ LYS 6 23.516 2.664 2.693 57 HZ3 LYS 6 2HZ LYS 6 22.949 4.239 2.903 58 H PHE 7 H PHE 7 18.253 2.812 1.896 59 HA PHE 7 HA PHE 7 15.692 3.831 2.881 60 HB2 PHE 7 2HB PHE 7 14.622 1.618 2.135 61 HB3 PHE 7 1HB PHE 7 14.974 2.752 0.844 62 HD1 PHE 7 HD1 PHE 7 16.729 2.261 -0.836 63 HD2 PHE 7 HD2 PHE 7 15.877 -0.515 2.315 64 HE1 PHE 7 HE1 PHE 7 18.006 0.510 -2.018 65 HE2 PHE 7 HE2 PHE 7 17.155 -2.247 1.126 66 HZ PHE 7 HZ PHE 7 18.219 -1.738 -1.033 67 H GLU 8 H GLU 8 15.357 3.135 4.961 68 HA GLU 8 HA GLU 8 16.855 0.811 5.969 69 HB2 GLU 8 2HB GLU 8 18.244 2.818 6.479 70 HB3 GLU 8 1HB GLU 8 16.879 3.557 7.313 71 HG2 GLU 8 2HG GLU 8 16.917 1.793 9.016 72 HG3 GLU 8 1HG GLU 8 18.201 0.947 8.152 73 H ILE 9 H ILE 9 15.592 -0.388 7.261 74 HA ILE 9 HA ILE 9 12.801 0.395 7.566 75 HB ILE 9 HB ILE 9 14.219 -2.223 8.275 76 HG12 ILE 9 2HG1 ILE 9 12.451 -1.423 5.914 77 HG13 ILE 9 1HG1 ILE 9 14.160 -1.836 5.858 78 HG21 ILE 9 1HG2 ILE 9 11.964 -3.206 8.579 79 HG22 ILE 9 2HG2 ILE 9 11.228 -1.624 8.313 80 HG23 ILE 9 3HG2 ILE 9 12.241 -1.900 9.732 81 HD11 ILE 9 3HD1 ILE 9 12.796 -3.616 4.982 82 HD12 ILE 9 1HD1 ILE 9 11.894 -3.724 6.494 83 HD13 ILE 9 2HD1 ILE 9 13.611 -4.142 6.453 84 H ILE 10 H ILE 10 12.293 1.566 9.206 85 HA ILE 10 HA ILE 10 13.917 1.814 11.612 86 HB ILE 10 HB ILE 10 11.346 3.277 10.827 87 HG12 ILE 10 2HG1 ILE 10 13.118 3.778 9.196 88 HG13 ILE 10 1HG1 ILE 10 12.843 5.191 10.208 89 HG21 ILE 10 1HG2 ILE 10 11.978 4.930 12.559 90 HG22 ILE 10 2HG2 ILE 10 13.363 3.934 13.011 91 HG23 ILE 10 3HG2 ILE 10 11.724 3.329 13.255 92 HD11 ILE 10 3HD1 ILE 10 15.198 4.890 9.804 93 HD12 ILE 10 1HD1 ILE 10 15.139 3.242 10.425 94 HD13 ILE 10 2HD1 ILE 10 14.862 4.607 11.512 95 H GLU 11 H GLU 11 10.786 0.587 10.529 96 HA GLU 11 HA GLU 11 10.415 -0.976 12.963 97 HB2 GLU 11 2HB GLU 11 9.387 1.184 13.560 98 HB3 GLU 11 1HB GLU 11 8.476 1.206 12.057 99 HG2 GLU 11 2HG GLU 11 6.981 0.640 13.842 100 HG3 GLU 11 1HG GLU 11 7.199 -0.785 12.834 101 H GLU 12 H GLU 12 9.161 -2.794 12.557 102 HA GLU 12 HA GLU 12 7.906 -3.183 9.895 103 HB2 GLU 12 2HB GLU 12 8.559 -5.167 12.122 104 HB3 GLU 12 1HB GLU 12 7.829 -5.594 10.574 105 HG2 GLU 12 2HG GLU 12 9.833 -5.067 9.369 106 HG3 GLU 12 1HG GLU 12 10.541 -4.246 10.760 107 H LEU 13 H LEU 13 5.684 -2.988 9.770 108 HA LEU 13 HA LEU 13 4.249 -2.496 12.323 109 HB2 LEU 13 2HB LEU 13 3.359 -1.969 9.458 110 HB3 LEU 13 1HB LEU 13 2.465 -1.523 10.906 111 HG LEU 13 HG LEU 13 5.153 -0.378 10.044 112 HD11 LEU 13 1HD1 LEU 13 2.399 0.892 10.079 113 HD12 LEU 13 2HD1 LEU 13 3.324 0.412 8.653 114 HD13 LEU 13 3HD1 LEU 13 3.917 1.709 9.682 115 HD21 LEU 13 3HD2 LEU 13 4.953 1.175 11.932 116 HD22 LEU 13 1HD2 LEU 13 5.009 -0.491 12.498 117 HD23 LEU 13 2HD2 LEU 13 3.472 0.375 12.465 118 H ILE 14 H ILE 14 3.663 -4.180 9.248 119 HA ILE 14 HA ILE 14 2.351 -6.456 10.544 120 HB ILE 14 HB ILE 14 0.924 -4.964 8.266 121 HG12 ILE 14 2HG1 ILE 14 0.058 -4.895 11.199 122 HG13 ILE 14 1HG1 ILE 14 0.867 -3.571 10.374 123 HG21 ILE 14 1HG2 ILE 14 0.457 -7.389 8.407 124 HG22 ILE 14 2HG2 ILE 14 -0.983 -6.451 8.803 125 HG23 ILE 14 3HG2 ILE 14 -0.046 -7.209 10.093 126 HD11 ILE 14 3HD1 ILE 14 -1.530 -3.226 10.538 127 HD12 ILE 14 1HD1 ILE 14 -1.825 -4.693 9.606 128 HD13 ILE 14 2HD1 ILE 14 -0.999 -3.321 8.860 129 H VAL 15 H VAL 15 3.145 -8.259 9.467 130 HA VAL 15 HA VAL 15 3.996 -8.037 6.661 131 HB VAL 15 HB VAL 15 4.021 -10.531 8.433 132 HG11 VAL 15 1HG1 VAL 15 5.413 -9.999 5.771 133 HG12 VAL 15 2HG1 VAL 15 4.011 -11.044 6.016 134 HG13 VAL 15 3HG1 VAL 15 5.561 -11.470 6.741 135 HG21 VAL 15 3HG2 VAL 15 5.496 -8.812 9.394 136 HG22 VAL 15 1HG2 VAL 15 6.316 -8.613 7.841 137 HG23 VAL 15 2HG2 VAL 15 6.448 -10.138 8.724 138 H LEU 16 H LEU 16 2.631 -8.559 5.041 139 HA LEU 16 HA LEU 16 -0.137 -9.304 5.729 140 HB2 LEU 16 2HB LEU 16 1.011 -8.108 3.171 141 HB3 LEU 16 1HB LEU 16 -0.701 -8.359 3.508 142 HG LEU 16 HG LEU 16 1.123 -6.496 5.085 143 HD11 LEU 16 1HD1 LEU 16 -0.989 -5.778 3.028 144 HD12 LEU 16 2HD1 LEU 16 0.759 -5.614 2.838 145 HD13 LEU 16 3HD1 LEU 16 -0.087 -4.639 4.037 146 HD21 LEU 16 3HD2 LEU 16 -1.872 -6.921 5.267 147 HD22 LEU 16 1HD2 LEU 16 -0.934 -5.716 6.156 148 HD23 LEU 16 2HD2 LEU 16 -0.664 -7.428 6.451 149 H SER 17 H SER 17 2.663 -10.489 4.059 150 HA SER 17 HA SER 17 1.652 -13.077 3.614 151 HB2 SER 17 2HB SER 17 0.435 -11.825 1.748 152 HB3 SER 17 1HB SER 17 2.008 -11.475 1.032 153 HG SER 17 HG SER 17 0.524 -13.771 0.989 154 H GLU 18 H GLU 18 3.227 -14.411 2.532 155 HA GLU 18 HA GLU 18 6.004 -13.385 2.386 156 HB2 GLU 18 2HB GLU 18 5.694 -14.598 4.536 157 HB3 GLU 18 1HB GLU 18 5.102 -16.013 3.670 158 HG2 GLU 18 2HG GLU 18 7.305 -16.258 2.573 159 HG3 GLU 18 1HG GLU 18 7.894 -14.840 3.438 160 H ASN 19 H ASN 19 7.185 -14.180 0.630 161 HA ASN 19 HA ASN 19 5.551 -15.440 -1.480 162 HB2 ASN 19 2HB ASN 19 7.128 -13.579 -1.984 163 HB3 ASN 19 1HB ASN 19 8.482 -14.603 -1.539 164 HD21 ASN 19 1HD2 ASN 19 9.482 -14.501 -3.490 165 HD22 ASN 19 2HD2 ASN 19 8.849 -15.172 -4.946 166 H ALA 20 H ALA 20 6.393 -17.339 -2.760 167 HA ALA 20 HA ALA 20 7.128 -19.612 -1.297 168 HB1 ALA 20 3HB ALA 20 7.586 -19.069 -4.250 169 HB2 ALA 20 1HB ALA 20 6.107 -19.705 -3.530 170 HB3 ALA 20 2HB ALA 20 7.590 -20.658 -3.475 171 H LYS 21 H LYS 21 9.180 -17.367 -3.225 172 HA LYS 21 HA LYS 21 11.655 -18.479 -2.211 173 HB2 LYS 21 2HB LYS 21 11.321 -15.854 -3.717 174 HB3 LYS 21 1HB LYS 21 12.780 -16.834 -3.577 175 HG2 LYS 21 2HG LYS 21 10.274 -17.443 -5.174 176 HG3 LYS 21 1HG LYS 21 11.894 -17.131 -5.795 177 HD2 LYS 21 2HD LYS 21 11.114 -19.572 -4.137 178 HD3 LYS 21 1HD LYS 21 11.197 -19.546 -5.898 179 HE2 LYS 21 2HE LYS 21 13.550 -19.018 -4.050 180 HE3 LYS 21 1HE LYS 21 13.217 -20.552 -4.849 181 HZ1 LYS 21 3HZ LYS 21 14.832 -19.355 -6.103 182 HZ2 LYS 21 1HZ LYS 21 13.858 -17.976 -6.171 183 HZ3 LYS 21 2HZ LYS 21 13.399 -19.378 -6.989 184 H GLY 22 H GLY 22 9.416 -16.659 -0.721 185 HA2 GLY 22 2HA GLY 22 9.692 -16.320 1.600 186 HA3 GLY 22 1HA GLY 22 11.342 -15.782 1.330 187 H TRP 23 H TRP 23 10.432 -14.070 -0.990 188 HA TRP 23 HA TRP 23 10.591 -11.587 0.081 189 HB2 TRP 23 2HB TRP 23 9.216 -12.523 -2.449 190 HB3 TRP 23 1HB TRP 23 9.234 -10.817 -2.033 191 HD1 TRP 23 HD1 TRP 23 11.919 -13.627 -2.439 192 HE1 TRP 23 HE1 TRP 23 13.941 -12.574 -3.592 193 HE3 TRP 23 HE3 TRP 23 10.193 -8.824 -2.817 194 HZ2 TRP 23 HZ2 TRP 23 14.716 -10.011 -4.548 195 HZ3 TRP 23 HZ3 TRP 23 11.630 -7.128 -3.873 196 HH2 TRP 23 HH2 TRP 23 13.846 -7.714 -4.723 197 H ARG 24 H ARG 24 9.364 -10.502 1.570 198 HA ARG 24 HA ARG 24 6.688 -11.562 2.145 199 HB2 ARG 24 2HB ARG 24 8.314 -9.635 3.857 200 HB3 ARG 24 1HB ARG 24 6.899 -10.571 4.329 201 HG2 ARG 24 2HG ARG 24 8.305 -12.658 3.992 202 HG3 ARG 24 1HG ARG 24 9.700 -11.592 3.788 203 HD2 ARG 24 2HD ARG 24 8.025 -12.083 6.261 204 HD3 ARG 24 1HD ARG 24 9.777 -12.187 6.072 205 HE ARG 24 HE ARG 24 8.813 -9.518 5.670 206 HH11 ARG 24 1HH1 ARG 24 9.749 -11.764 8.236 207 HH12 ARG 24 2HH1 ARG 24 10.065 -10.479 9.357 208 HH21 ARG 24 1HH2 ARG 24 9.118 -7.917 7.193 209 HH22 ARG 24 2HH2 ARG 24 9.711 -8.325 8.767 210 H LYS 25 H LYS 25 4.989 -10.449 1.436 211 HA LYS 25 HA LYS 25 5.169 -7.688 0.515 212 HB2 LYS 25 2HB LYS 25 2.712 -9.491 0.811 213 HB3 LYS 25 1HB LYS 25 2.800 -7.971 -0.083 214 HG2 LYS 25 2HG LYS 25 4.415 -9.027 -1.669 215 HG3 LYS 25 1HG LYS 25 4.258 -10.549 -0.786 216 HD2 LYS 25 2HD LYS 25 2.825 -10.643 -2.744 217 HD3 LYS 25 1HD LYS 25 1.809 -10.549 -1.303 218 HE2 LYS 25 2HE LYS 25 1.704 -8.013 -1.739 219 HE3 LYS 25 1HE LYS 25 2.397 -8.372 -3.324 220 HZ1 LYS 25 3HZ LYS 25 -0.174 -9.355 -2.223 221 HZ2 LYS 25 1HZ LYS 25 0.514 -9.913 -3.667 222 HZ3 LYS 25 2HZ LYS 25 0.056 -8.294 -3.524 223 H GLU 26 H GLU 26 5.465 -6.333 2.238 224 HA GLU 26 HA GLU 26 3.694 -6.606 4.596 225 HB2 GLU 26 2HB GLU 26 5.621 -6.239 6.087 226 HB3 GLU 26 1HB GLU 26 5.866 -7.669 5.088 227 HG2 GLU 26 2HG GLU 26 7.312 -6.262 3.560 228 HG3 GLU 26 1HG GLU 26 7.173 -4.951 4.728 229 H LEU 27 H LEU 27 3.414 -4.825 5.849 230 HA LEU 27 HA LEU 27 3.976 -2.150 4.780 231 HB2 LEU 27 2HB LEU 27 1.609 -2.594 5.226 232 HB3 LEU 27 1HB LEU 27 1.985 -3.204 6.829 233 HG LEU 27 HG LEU 27 2.740 -0.890 7.484 234 HD11 LEU 27 1HD1 LEU 27 1.592 -0.028 4.815 235 HD12 LEU 27 2HD1 LEU 27 3.283 0.046 5.315 236 HD13 LEU 27 3HD1 LEU 27 2.087 1.049 6.129 237 HD21 LEU 27 3HD2 LEU 27 0.504 -0.005 7.817 238 HD22 LEU 27 1HD2 LEU 27 0.517 -1.747 8.068 239 HD23 LEU 27 2HD2 LEU 27 -0.141 -1.076 6.572 240 H ASN 28 H ASN 28 5.650 -1.201 5.698 241 HA ASN 28 HA ASN 28 6.330 -1.551 8.548 242 HB2 ASN 28 2HB ASN 28 8.686 -1.902 8.042 243 HB3 ASN 28 1HB ASN 28 7.753 -3.101 7.173 244 HD21 ASN 28 1HD2 ASN 28 7.047 -1.123 4.972 245 HD22 ASN 28 2HD2 ASN 28 8.504 -0.928 4.079 246 H ARG 29 H ARG 29 7.990 0.232 9.191 247 HA ARG 29 HA ARG 29 7.517 2.734 7.699 248 HB2 ARG 29 2HB ARG 29 8.488 2.329 10.566 249 HB3 ARG 29 1HB ARG 29 8.345 3.891 9.757 250 HG2 ARG 29 2HG ARG 29 5.872 3.395 9.472 251 HG3 ARG 29 1HG ARG 29 6.107 2.002 10.531 252 HD2 ARG 29 2HD ARG 29 5.259 3.858 11.834 253 HD3 ARG 29 1HD ARG 29 6.933 3.557 12.308 254 HE ARG 29 HE ARG 29 7.302 5.458 10.491 255 HH11 ARG 29 1HH1 ARG 29 4.984 5.371 13.131 256 HH12 ARG 29 2HH1 ARG 29 4.932 7.092 13.297 257 HH21 ARG 29 1HH2 ARG 29 7.172 7.742 10.689 258 HH22 ARG 29 2HH2 ARG 29 6.162 8.433 11.921 259 H VAL 30 H VAL 30 9.124 3.484 6.550 260 HA VAL 30 HA VAL 30 11.918 2.615 7.023 261 HB VAL 30 HB VAL 30 10.445 2.920 4.356 262 HG11 VAL 30 1HG1 VAL 30 13.439 2.522 4.731 263 HG12 VAL 30 2HG1 VAL 30 12.646 3.949 4.058 264 HG13 VAL 30 3HG1 VAL 30 12.573 2.414 3.192 265 HG21 VAL 30 3HG2 VAL 30 10.143 0.736 5.439 266 HG22 VAL 30 1HG2 VAL 30 11.894 0.534 5.564 267 HG23 VAL 30 2HG2 VAL 30 11.118 0.572 3.977 268 H SER 31 H SER 31 13.465 4.177 6.791 269 HA SER 31 HA SER 31 12.659 6.988 6.377 270 HB2 SER 31 2HB SER 31 13.847 6.680 8.499 271 HB3 SER 31 1HB SER 31 15.127 5.768 7.709 272 HG SER 31 HG SER 31 14.913 8.422 8.039 273 H TRP 32 H TRP 32 13.272 7.835 4.465 274 HA TRP 32 HA TRP 32 15.115 6.324 2.711 275 HB2 TRP 32 2HB TRP 32 12.962 8.390 2.096 276 HB3 TRP 32 1HB TRP 32 14.124 7.829 0.896 277 HD1 TRP 32 HD1 TRP 32 11.029 6.604 2.854 278 HE1 TRP 32 HE1 TRP 32 10.120 4.497 1.674 279 HE3 TRP 32 HE3 TRP 32 14.872 5.775 -0.450 280 HZ2 TRP 32 HZ2 TRP 32 10.956 2.683 -0.302 281 HZ3 TRP 32 HZ3 TRP 32 14.737 3.825 -1.946 282 HH2 TRP 32 HH2 TRP 32 12.817 2.303 -1.870 283 H ASN 33 H ASN 33 17.097 7.017 2.669 284 HA ASN 33 HA ASN 33 18.972 8.262 2.547 285 HB2 ASN 33 2HB ASN 33 17.080 9.527 0.887 286 HB3 ASN 33 1HB ASN 33 17.713 10.864 1.832 287 HD21 ASN 33 1HD2 ASN 33 18.546 11.697 -0.108 288 HD22 ASN 33 2HD2 ASN 33 19.951 11.043 -0.860 289 H ASP 34 H ASP 34 17.924 7.975 5.072 290 HA ASP 34 HA ASP 34 17.933 8.637 7.221 291 HB2 ASP 34 2HB ASP 34 20.362 8.978 6.566 292 HB3 ASP 34 1HB ASP 34 20.006 10.682 6.307 293 H ALA 35 H ALA 35 15.986 9.956 5.444 294 HA ALA 35 HA ALA 35 15.615 12.642 6.631 295 HB1 ALA 35 3HB ALA 35 14.229 11.336 4.256 296 HB2 ALA 35 1HB ALA 35 15.551 12.502 4.175 297 HB3 ALA 35 2HB ALA 35 13.982 12.995 4.813 298 H GLU 36 H GLU 36 12.863 12.854 6.433 299 HA GLU 36 HA GLU 36 11.792 11.965 8.735 300 HB2 GLU 36 2HB GLU 36 9.513 12.278 7.668 301 HB3 GLU 36 1HB GLU 36 10.631 13.621 7.452 302 HG2 GLU 36 2HG GLU 36 11.021 13.082 5.157 303 HG3 GLU 36 1HG GLU 36 10.278 11.494 5.325 304 HA PRO 37 HA PRO 37 11.187 7.456 8.120 305 HB2 PRO 37 2HB PRO 37 10.203 6.936 10.637 306 HB3 PRO 37 1HB PRO 37 11.937 7.166 10.323 307 HG2 PRO 37 2HG PRO 37 9.942 9.134 11.408 308 HG3 PRO 37 1HG PRO 37 11.609 8.815 11.941 309 HD2 PRO 37 2HD PRO 37 10.975 10.926 10.342 310 HD3 PRO 37 1HD PRO 37 12.545 10.098 10.248 311 H LYS 38 H LYS 38 9.437 6.725 7.024 312 HA LYS 38 HA LYS 38 6.771 7.902 7.496 313 HB2 LYS 38 2HB LYS 38 6.497 8.218 5.069 314 HB3 LYS 38 1HB LYS 38 7.901 9.115 5.638 315 HG2 LYS 38 2HG LYS 38 9.344 7.181 4.823 316 HG3 LYS 38 1HG LYS 38 7.891 6.502 4.083 317 HD2 LYS 38 2HD LYS 38 9.109 7.722 2.379 318 HD3 LYS 38 1HD LYS 38 7.640 8.629 2.755 319 HE2 LYS 38 2HE LYS 38 8.969 10.120 4.235 320 HE3 LYS 38 1HE LYS 38 10.430 9.225 3.801 321 HZ1 LYS 38 3HZ LYS 38 10.100 9.889 1.503 322 HZ2 LYS 38 1HZ LYS 38 10.218 11.239 2.509 323 HZ3 LYS 38 2HZ LYS 38 8.712 10.752 1.920 324 H TYR 39 H TYR 39 5.075 6.587 6.245 325 HA TYR 39 HA TYR 39 5.473 3.803 6.913 326 HB2 TYR 39 2HB TYR 39 3.041 5.274 5.813 327 HB3 TYR 39 1HB TYR 39 3.054 3.622 6.433 328 HD1 TYR 39 HD2 TYR 39 3.254 3.194 8.858 329 HD2 TYR 39 HD1 TYR 39 3.191 7.196 7.373 330 HE1 TYR 39 HE2 TYR 39 2.835 4.033 11.131 331 HE2 TYR 39 HE1 TYR 39 2.785 8.019 9.642 332 HH TYR 39 HH TYR 39 1.809 7.171 11.751 333 H ASP 40 H ASP 40 6.012 2.368 5.543 334 HA ASP 40 HA ASP 40 6.094 2.865 2.623 335 HB2 ASP 40 2HB ASP 40 8.316 2.898 3.897 336 HB3 ASP 40 1HB ASP 40 8.050 1.203 4.279 337 H ILE 41 H ILE 41 5.218 1.232 1.330 338 HA ILE 41 HA ILE 41 4.637 -1.375 2.574 339 HB ILE 41 HB ILE 41 2.560 -0.200 2.981 340 HG12 ILE 41 2HG1 ILE 41 2.197 -2.123 0.635 341 HG13 ILE 41 1HG1 ILE 41 2.377 -2.587 2.323 342 HG21 ILE 41 1HG2 ILE 41 2.402 0.465 0.031 343 HG22 ILE 41 2HG2 ILE 41 2.732 1.602 1.339 344 HG23 ILE 41 3HG2 ILE 41 1.159 0.810 1.239 345 HD11 ILE 41 3HD1 ILE 41 0.065 -1.060 1.123 346 HD12 ILE 41 1HD1 ILE 41 0.251 -1.455 2.835 347 HD13 ILE 41 2HD1 ILE 41 0.077 -2.744 1.645 348 H ARG 42 H ARG 42 5.195 -2.912 1.342 349 HA ARG 42 HA ARG 42 4.970 -3.222 -1.443 350 HB2 ARG 42 2HB ARG 42 7.292 -2.977 -2.247 351 HB3 ARG 42 1HB ARG 42 6.630 -1.441 -1.716 352 HG2 ARG 42 2HG ARG 42 7.972 -1.418 0.251 353 HG3 ARG 42 1HG ARG 42 8.440 -3.111 0.033 354 HD2 ARG 42 2HD ARG 42 10.183 -1.360 -0.634 355 HD3 ARG 42 1HD ARG 42 9.827 -2.612 -1.822 356 HE ARG 42 HE ARG 42 8.910 -1.030 -3.230 357 HH11 ARG 42 1HH1 ARG 42 9.561 0.494 -0.130 358 HH12 ARG 42 2HH1 ARG 42 9.305 2.098 -0.725 359 HH21 ARG 42 1HH2 ARG 42 8.536 1.094 -3.994 360 HH22 ARG 42 2HH2 ARG 42 8.726 2.439 -2.918 361 H THR 43 H THR 43 6.939 -4.879 -2.200 362 HA THR 43 HA THR 43 6.926 -7.022 -0.207 363 HB THR 43 HB THR 43 7.625 -7.172 -3.184 364 HG1 THR 43 HG1 THR 43 5.176 -6.958 -1.941 365 HG21 THR 43 3HG2 THR 43 7.134 -9.586 -2.875 366 HG22 THR 43 1HG2 THR 43 6.823 -9.304 -1.159 367 HG23 THR 43 2HG2 THR 43 8.446 -9.062 -1.817 368 H TRP 44 H TRP 44 8.786 -7.340 0.821 369 HA TRP 44 HA TRP 44 11.341 -6.209 -0.183 370 HB2 TRP 44 2HB TRP 44 10.351 -6.753 2.655 371 HB3 TRP 44 1HB TRP 44 12.028 -6.378 2.281 372 HD1 TRP 44 HD1 TRP 44 8.676 -4.697 2.884 373 HE1 TRP 44 HE1 TRP 44 9.029 -2.146 2.898 374 HE3 TRP 44 HE3 TRP 44 13.437 -4.498 1.026 375 HZ2 TRP 44 HZ2 TRP 44 11.009 -0.297 2.182 376 HZ3 TRP 44 HZ3 TRP 44 14.484 -2.295 0.709 377 HH2 TRP 44 HH2 TRP 44 13.296 -0.232 1.275 378 H SER 45 H SER 45 13.181 -7.545 -0.005 379 HA SER 45 HA SER 45 12.817 -10.317 -0.429 380 HB2 SER 45 2HB SER 45 15.309 -10.385 -0.420 381 HB3 SER 45 1HB SER 45 14.687 -9.061 -1.396 382 HG SER 45 HG SER 45 16.502 -8.698 0.192 383 HA PRO 46 HA PRO 46 13.169 -12.272 3.699 384 HB2 PRO 46 2HB PRO 46 15.322 -14.058 3.242 385 HB3 PRO 46 1HB PRO 46 13.614 -14.388 2.889 386 HG2 PRO 46 2HG PRO 46 15.759 -13.397 1.031 387 HG3 PRO 46 1HG PRO 46 14.507 -14.630 0.748 388 HD2 PRO 46 2HD PRO 46 14.176 -12.198 -0.256 389 HD3 PRO 46 1HD PRO 46 12.792 -13.021 0.505 390 H ASP 47 H ASP 47 15.964 -10.804 2.182 391 HA ASP 47 HA ASP 47 17.375 -10.483 4.760 392 HB2 ASP 47 2HB ASP 47 18.316 -9.991 1.894 393 HB3 ASP 47 1HB ASP 47 19.294 -9.670 3.325 394 H HIS 48 H HIS 48 15.182 -8.803 2.837 395 HA HIS 48 HA HIS 48 14.277 -6.743 2.875 396 HB2 HIS 48 2HB HIS 48 15.776 -6.638 5.508 397 HB3 HIS 48 1HB HIS 48 14.779 -5.293 4.967 398 HD1 HIS 48 HD1 HIS 48 14.545 -8.116 7.084 399 HD2 HIS 48 HD2 HIS 48 12.001 -6.349 4.327 400 HE1 HIS 48 HE1 HIS 48 12.237 -8.890 7.693 401 HE2 HIS 48 HE2 HIS 48 10.725 -7.600 6.169 402 H GLU 49 H GLU 49 17.057 -7.171 1.733 403 HA GLU 49 HA GLU 49 18.071 -4.396 1.645 404 HB2 GLU 49 2HB GLU 49 20.127 -5.362 0.678 405 HB3 GLU 49 1HB GLU 49 19.745 -6.106 2.229 406 HG2 GLU 49 2HG GLU 49 18.864 -8.097 1.098 407 HG3 GLU 49 1HG GLU 49 19.135 -7.347 -0.476 408 H LYS 50 H LYS 50 16.088 -6.512 -0.055 409 HA LYS 50 HA LYS 50 16.443 -5.021 -2.580 410 HB2 LYS 50 2HB LYS 50 15.514 -7.905 -2.389 411 HB3 LYS 50 1HB LYS 50 15.694 -6.955 -3.854 412 HG2 LYS 50 2HG LYS 50 18.188 -6.888 -3.370 413 HG3 LYS 50 1HG LYS 50 17.881 -8.047 -2.070 414 HD2 LYS 50 2HD LYS 50 18.501 -9.389 -3.955 415 HD3 LYS 50 1HD LYS 50 16.741 -9.517 -3.825 416 HE2 LYS 50 2HE LYS 50 16.503 -7.794 -5.597 417 HE3 LYS 50 1HE LYS 50 18.260 -7.750 -5.765 418 HZ1 LYS 50 3HZ LYS 50 16.566 -10.146 -6.208 419 HZ2 LYS 50 1HZ LYS 50 18.238 -10.049 -6.432 420 HZ3 LYS 50 2HZ LYS 50 17.199 -9.165 -7.426 421 H MET 51 H MET 51 14.387 -5.146 -3.880 422 HA MET 51 HA MET 51 11.933 -4.912 -2.373 423 HB2 MET 51 2HB MET 51 11.704 -2.451 -2.598 424 HB3 MET 51 1HB MET 51 13.055 -2.882 -1.564 425 HG2 MET 51 2HG MET 51 14.628 -2.390 -3.397 426 HG3 MET 51 1HG MET 51 13.272 -1.987 -4.455 427 HE1 MET 51 3HE MET 51 14.527 0.372 -4.961 428 HE2 MET 51 1HE MET 51 15.818 -0.072 -3.841 429 HE3 MET 51 2HE MET 51 15.012 1.489 -3.685 430 H GLY 52 H GLY 52 10.207 -3.864 -3.714 431 HA2 GLY 52 2HA GLY 52 10.649 -3.724 -6.604 432 HA3 GLY 52 1HA GLY 52 9.611 -5.026 -6.026 433 H LYS 53 H LYS 53 7.692 -4.292 -6.882 434 HA LYS 53 HA LYS 53 6.930 -1.590 -7.018 435 HB2 LYS 53 2HB LYS 53 5.195 -4.082 -7.253 436 HB3 LYS 53 1HB LYS 53 4.694 -2.454 -7.707 437 HG2 LYS 53 2HG LYS 53 6.911 -4.088 -8.986 438 HG3 LYS 53 1HG LYS 53 5.341 -3.698 -9.696 439 HD2 LYS 53 2HD LYS 53 5.956 -1.292 -9.716 440 HD3 LYS 53 1HD LYS 53 7.517 -1.681 -8.988 441 HE2 LYS 53 2HE LYS 53 6.556 -2.620 -11.711 442 HE3 LYS 53 1HE LYS 53 7.711 -1.318 -11.412 443 HZ1 LYS 53 3HZ LYS 53 8.836 -3.361 -11.969 444 HZ2 LYS 53 1HZ LYS 53 8.087 -4.171 -10.693 445 HZ3 LYS 53 2HZ LYS 53 9.186 -2.933 -10.380 446 H GLY 54 H GLY 54 6.111 -0.267 -5.584 447 HA2 GLY 54 2HA GLY 54 4.186 -0.820 -3.629 448 HA3 GLY 54 1HA GLY 54 5.780 -0.834 -2.884 449 H ILE 55 H ILE 55 4.407 1.034 -1.825 450 HA ILE 55 HA ILE 55 4.979 3.569 -3.199 451 HB ILE 55 HB ILE 55 2.681 3.092 -3.844 452 HG12 ILE 55 2HG1 ILE 55 2.719 5.200 -1.632 453 HG13 ILE 55 1HG1 ILE 55 3.134 5.455 -3.322 454 HG21 ILE 55 1HG2 ILE 55 2.106 1.442 -2.120 455 HG22 ILE 55 2HG2 ILE 55 0.848 2.670 -2.267 456 HG23 ILE 55 3HG2 ILE 55 1.982 2.728 -0.915 457 HD11 ILE 55 3HD1 ILE 55 0.942 6.331 -2.818 458 HD12 ILE 55 1HD1 ILE 55 0.398 4.749 -2.258 459 HD13 ILE 55 2HD1 ILE 55 0.817 4.994 -3.957 460 H THR 56 H THR 56 5.316 5.279 -1.859 461 HA THR 56 HA THR 56 5.755 4.809 1.018 462 HB THR 56 HB THR 56 6.998 7.057 0.855 463 HG1 THR 56 HG1 THR 56 7.226 7.999 -1.081 464 HG21 THR 56 3HG2 THR 56 8.999 6.100 -0.234 465 HG22 THR 56 1HG2 THR 56 8.012 4.806 -0.922 466 HG23 THR 56 2HG2 THR 56 8.233 4.917 0.827 467 H LEU 57 H LEU 57 4.767 6.074 2.543 468 HA LEU 57 HA LEU 57 2.588 7.912 1.782 469 HB2 LEU 57 2HB LEU 57 2.407 5.633 3.816 470 HB3 LEU 57 1HB LEU 57 1.149 6.825 3.516 471 HG LEU 57 HG LEU 57 2.111 4.781 1.476 472 HD11 LEU 57 1HD1 LEU 57 1.009 3.640 3.328 473 HD12 LEU 57 2HD1 LEU 57 0.002 3.588 1.882 474 HD13 LEU 57 3HD1 LEU 57 -0.394 4.708 3.189 475 HD21 LEU 57 3HD2 LEU 57 1.238 6.792 0.412 476 HD22 LEU 57 1HD2 LEU 57 -0.241 6.701 1.374 477 HD23 LEU 57 2HD2 LEU 57 0.122 5.451 0.179 478 H SER 58 H SER 58 2.359 9.584 3.186 479 HA SER 58 HA SER 58 4.377 10.067 5.246 480 HB2 SER 58 2HB SER 58 2.121 11.865 4.222 481 HB3 SER 58 1HB SER 58 3.464 12.363 5.260 482 HG SER 58 HG SER 58 3.880 11.211 2.703 483 H GLU 59 H GLU 59 3.536 11.008 7.372 484 HA GLU 59 HA GLU 59 1.903 9.210 8.732 485 HB2 GLU 59 2HB GLU 59 2.524 12.082 9.512 486 HB3 GLU 59 1HB GLU 59 2.013 10.793 10.605 487 HG2 GLU 59 2HG GLU 59 4.092 9.563 10.180 488 HG3 GLU 59 1HG GLU 59 4.600 10.783 9.012 489 H GLU 60 H GLU 60 1.118 12.312 7.288 490 HA GLU 60 HA GLU 60 -1.542 12.645 8.128 491 HB2 GLU 60 2HB GLU 60 -0.238 13.578 5.535 492 HB3 GLU 60 1HB GLU 60 -1.707 14.239 6.253 493 HG2 GLU 60 2HG GLU 60 -0.456 15.089 8.163 494 HG3 GLU 60 1HG GLU 60 1.023 14.325 7.574 495 H GLU 61 H GLU 61 -0.239 11.258 5.098 496 HA GLU 61 HA GLU 61 -2.710 10.746 3.811 497 HB2 GLU 61 2HB GLU 61 -0.031 9.359 3.310 498 HB3 GLU 61 1HB GLU 61 -1.384 9.471 2.181 499 HG2 GLU 61 2HG GLU 61 -1.082 11.907 2.046 500 HG3 GLU 61 1HG GLU 61 0.251 11.816 3.197 501 H PHE 62 H PHE 62 -0.423 8.572 5.433 502 HA PHE 62 HA PHE 62 -1.954 6.205 5.304 503 HB2 PHE 62 2HB PHE 62 0.503 6.234 5.653 504 HB3 PHE 62 1HB PHE 62 0.278 6.965 7.238 505 HD1 PHE 62 HD2 PHE 62 -0.359 3.882 5.238 506 HD2 PHE 62 HD1 PHE 62 -0.184 5.588 9.158 507 HE1 PHE 62 HE2 PHE 62 -0.519 1.640 6.234 508 HE2 PHE 62 HE1 PHE 62 -0.349 3.341 10.139 509 HZ PHE 62 HZ PHE 62 -0.515 1.370 8.681 510 H GLY 63 H GLY 63 -1.749 8.835 7.720 511 HA2 GLY 63 2HA GLY 63 -3.359 7.790 9.732 512 HA3 GLY 63 1HA GLY 63 -3.219 9.491 9.324 513 H VAL 64 H VAL 64 -4.325 9.625 6.803 514 HA VAL 64 HA VAL 64 -7.115 9.569 7.176 515 HB VAL 64 HB VAL 64 -5.556 9.616 4.543 516 HG11 VAL 64 1HG1 VAL 64 -8.477 10.328 5.032 517 HG12 VAL 64 2HG1 VAL 64 -7.878 8.944 4.117 518 HG13 VAL 64 3HG1 VAL 64 -7.601 10.578 3.514 519 HG21 VAL 64 3HG2 VAL 64 -5.872 12.058 4.596 520 HG22 VAL 64 1HG2 VAL 64 -4.991 11.504 6.021 521 HG23 VAL 64 2HG2 VAL 64 -6.697 11.931 6.151 522 H LEU 65 H LEU 65 -4.848 7.216 5.719 523 HA LEU 65 HA LEU 65 -6.704 5.391 4.640 524 HB2 LEU 65 2HB LEU 65 -4.195 5.441 4.258 525 HB3 LEU 65 1HB LEU 65 -3.990 4.745 5.854 526 HG LEU 65 HG LEU 65 -5.345 2.729 5.042 527 HD11 LEU 65 1HD1 LEU 65 -4.940 3.990 2.314 528 HD12 LEU 65 2HD1 LEU 65 -6.480 3.764 3.148 529 HD13 LEU 65 3HD1 LEU 65 -5.549 2.361 2.634 530 HD21 LEU 65 3HD2 LEU 65 -2.901 2.661 5.247 531 HD22 LEU 65 1HD2 LEU 65 -2.727 3.311 3.614 532 HD23 LEU 65 2HD2 LEU 65 -3.441 1.714 3.862 533 H LEU 66 H LEU 66 -5.115 5.469 7.890 534 HA LEU 66 HA LEU 66 -6.238 3.190 9.029 535 HB2 LEU 66 2HB LEU 66 -5.349 5.796 10.335 536 HB3 LEU 66 1HB LEU 66 -5.716 4.326 11.227 537 HG LEU 66 HG LEU 66 -3.451 4.693 9.240 538 HD11 LEU 66 1HD1 LEU 66 -1.965 4.438 11.166 539 HD12 LEU 66 2HD1 LEU 66 -3.354 4.312 12.248 540 HD13 LEU 66 3HD1 LEU 66 -3.042 5.817 11.380 541 HD21 LEU 66 3HD2 LEU 66 -4.226 2.224 10.822 542 HD22 LEU 66 1HD2 LEU 66 -2.750 2.419 9.869 543 HD23 LEU 66 2HD2 LEU 66 -4.316 2.430 9.071 544 H LYS 67 H LYS 67 -7.328 6.549 9.098 545 HA LYS 67 HA LYS 67 -9.526 6.343 10.829 546 HB2 LYS 67 2HB LYS 67 -8.905 8.261 8.545 547 HB3 LYS 67 1HB LYS 67 -10.271 8.484 9.636 548 HG2 LYS 67 2HG LYS 67 -8.847 8.841 11.524 549 HG3 LYS 67 1HG LYS 67 -7.425 8.265 10.655 550 HD2 LYS 67 2HD LYS 67 -7.449 10.741 10.915 551 HD3 LYS 67 1HD LYS 67 -7.423 10.234 9.225 552 HE2 LYS 67 2HE LYS 67 -8.956 12.127 9.595 553 HE3 LYS 67 1HE LYS 67 -9.826 10.704 9.033 554 HZ1 LYS 67 3HZ LYS 67 -9.628 11.579 11.863 555 HZ2 LYS 67 1HZ LYS 67 -10.518 10.263 11.293 556 HZ3 LYS 67 2HZ LYS 67 -10.964 11.834 10.863 557 H GLU 68 H GLU 68 -9.357 6.214 7.302 558 HA GLU 68 HA GLU 68 -12.195 5.750 7.047 559 HB2 GLU 68 2HB GLU 68 -9.980 5.965 4.986 560 HB3 GLU 68 1HB GLU 68 -11.679 5.730 4.585 561 HG2 GLU 68 2HG GLU 68 -10.596 8.112 6.132 562 HG3 GLU 68 1HG GLU 68 -10.914 8.097 4.396 563 H LEU 69 H LEU 69 -9.400 3.691 7.285 564 HA LEU 69 HA LEU 69 -10.739 1.357 6.229 565 HB2 LEU 69 2HB LEU 69 -8.226 1.641 7.920 566 HB3 LEU 69 1HB LEU 69 -8.889 0.071 7.480 567 HG LEU 69 HG LEU 69 -7.884 2.176 5.517 568 HD11 LEU 69 1HD1 LEU 69 -6.054 0.617 5.058 569 HD12 LEU 69 2HD1 LEU 69 -6.656 -0.475 6.311 570 HD13 LEU 69 3HD1 LEU 69 -6.060 1.128 6.746 571 HD21 LEU 69 3HD2 LEU 69 -8.191 0.499 3.783 572 HD22 LEU 69 1HD2 LEU 69 -9.725 0.879 4.560 573 HD23 LEU 69 2HD2 LEU 69 -8.887 -0.627 4.956 574 H GLY 70 H GLY 70 -10.203 2.813 9.414 575 HA2 GLY 70 2HA GLY 70 -11.553 0.935 11.030 576 HA3 GLY 70 1HA GLY 70 -11.327 2.638 11.401 577 H ASN 71 H ASN 71 -12.646 3.703 9.193 578 HA ASN 71 HA ASN 71 -15.410 3.721 9.823 579 HB2 ASN 71 2HB ASN 71 -14.060 5.478 8.475 580 HB3 ASN 71 1HB ASN 71 -14.207 4.408 7.092 581 HD21 ASN 71 1HD2 ASN 71 -15.150 7.058 7.230 582 HD22 ASN 71 2HD2 ASN 71 -16.872 7.019 7.052 583 H LYS 72 H LYS 72 -13.927 2.570 6.849 584 HA LYS 72 HA LYS 72 -15.893 0.768 6.000 585 HB2 LYS 72 2HB LYS 72 -12.968 0.910 5.224 586 HB3 LYS 72 1HB LYS 72 -14.220 0.072 4.302 587 HG2 LYS 72 2HG LYS 72 -15.381 2.175 3.860 588 HG3 LYS 72 1HG LYS 72 -14.264 3.050 4.908 589 HD2 LYS 72 2HD LYS 72 -13.630 3.466 2.625 590 HD3 LYS 72 1HD LYS 72 -12.395 2.437 3.361 591 HE2 LYS 72 2HE LYS 72 -12.921 1.658 1.103 592 HE3 LYS 72 1HE LYS 72 -13.441 0.453 2.281 593 HZ1 LYS 72 3HZ LYS 72 -15.098 0.860 0.535 594 HZ2 LYS 72 1HZ LYS 72 -15.212 2.473 1.012 595 HZ3 LYS 72 2HZ LYS 72 -15.699 1.245 2.065 596 H LEU 73 H LEU 73 -14.283 0.087 8.753 597 HA LEU 73 HA LEU 73 -14.104 -2.774 8.345 598 HB2 LEU 73 2HB LEU 73 -14.152 -1.078 10.860 599 HB3 LEU 73 1HB LEU 73 -14.125 -2.836 10.921 600 HG LEU 73 HG LEU 73 -11.952 -0.976 9.904 601 HD11 LEU 73 1HD1 LEU 73 -11.941 -1.325 12.321 602 HD12 LEU 73 2HD1 LEU 73 -10.528 -2.060 11.564 603 HD13 LEU 73 3HD1 LEU 73 -11.877 -3.074 12.085 604 HD21 LEU 73 3HD2 LEU 73 -12.043 -3.987 9.580 605 HD22 LEU 73 1HD2 LEU 73 -10.645 -2.957 9.254 606 HD23 LEU 73 2HD2 LEU 73 -12.106 -2.785 8.289 607 H GLU 74 H GLU 74 -16.598 -0.789 8.142 608 HA GLU 74 HA GLU 74 -18.684 -2.339 9.416 609 HB2 GLU 74 2HB GLU 74 -20.198 -0.723 8.312 610 HB3 GLU 74 1HB GLU 74 -18.917 0.099 9.199 611 HG2 GLU 74 2HG GLU 74 -17.696 0.504 7.079 612 HG3 GLU 74 1HG GLU 74 -18.959 -0.350 6.192 613 H HIS 75 H HIS 75 -16.831 -2.727 6.591 614 HA HIS 75 HA HIS 75 -18.649 -3.299 4.579 615 HB2 HIS 75 2HB HIS 75 -16.853 -4.396 3.375 616 HB3 HIS 75 1HB HIS 75 -16.197 -3.006 4.225 617 HD1 HIS 75 HD1 HIS 75 -15.551 -6.489 3.599 618 HD2 HIS 75 HD2 HIS 75 -14.793 -3.869 6.742 619 HE1 HIS 75 HE1 HIS 75 -13.684 -7.524 4.915 620 HE2 HIS 75 HE2 HIS 75 -13.197 -5.895 6.751 621 H HIS 76 H HIS 76 -17.483 -5.539 7.107 622 HA HIS 76 HA HIS 76 -18.987 -7.778 6.043 623 HB2 HIS 76 2HB HIS 76 -18.297 -9.020 8.044 624 HB3 HIS 76 1HB HIS 76 -16.906 -8.188 7.373 625 HD1 HIS 76 HD1 HIS 76 -18.774 -8.660 10.465 626 HD2 HIS 76 HD2 HIS 76 -16.132 -5.828 8.947 627 HE1 HIS 76 HE1 HIS 76 -17.951 -7.358 12.451 628 HE2 HIS 76 HE2 HIS 76 -16.569 -5.512 11.467 629 H HIS 77 H HIS 77 -21.091 -8.104 6.363 630 HA HIS 77 HA HIS 77 -22.610 -5.993 7.664 631 HB2 HIS 77 2HB HIS 77 -23.567 -8.345 5.977 632 HB3 HIS 77 1HB HIS 77 -24.585 -7.024 6.547 633 HD1 HIS 77 HD1 HIS 77 -24.255 -4.694 5.409 634 HD2 HIS 77 HD2 HIS 77 -22.013 -7.760 3.721 635 HE1 HIS 77 HE1 HIS 77 -23.382 -3.789 3.238 636 HE2 HIS 77 HE2 HIS 77 -22.213 -5.717 2.160 637 H HIS 78 H HIS 78 -24.318 -6.346 9.110 638 HA HIS 78 HA HIS 78 -23.681 -8.149 11.254 639 HB2 HIS 78 2HB HIS 78 -25.951 -6.148 10.895 640 HB3 HIS 78 1HB HIS 78 -25.668 -7.054 12.380 641 HD1 HIS 78 HD1 HIS 78 -24.410 -4.152 10.410 642 HD2 HIS 78 HD2 HIS 78 -23.347 -6.246 13.843 643 HE1 HIS 78 HE1 HIS 78 -22.746 -2.707 11.608 644 HE2 HIS 78 HE2 HIS 78 -22.018 -4.055 13.584 645 H HIS 79 H HIS 79 -24.001 -10.217 10.663 646 HA HIS 79 HA HIS 79 -26.773 -11.165 10.648 647 HB2 HIS 79 2HB HIS 79 -26.147 -11.227 8.259 648 HB3 HIS 79 1HB HIS 79 -24.651 -12.075 8.643 649 HD1 HIS 79 HD1 HIS 79 -24.826 -14.466 8.049 650 HD2 HIS 79 HD2 HIS 79 -28.469 -12.992 9.404 651 HE1 HIS 79 HE1 HIS 79 -26.418 -16.399 7.956 652 HE2 HIS 79 HE2 HIS 79 -28.636 -15.444 8.628 653 H HIS 80 H HIS 80 -26.556 -11.863 12.727 654 HA HIS 80 HA HIS 80 -24.650 -14.056 13.256 655 HB2 HIS 80 2HB HIS 80 -24.888 -13.199 15.738 656 HB3 HIS 80 1HB HIS 80 -23.816 -12.340 14.639 657 HD1 HIS 80 HD1 HIS 80 -27.253 -12.022 16.192 658 HD2 HIS 80 HD2 HIS 80 -24.415 -9.666 14.285 659 HE1 HIS 80 HE1 HIS 80 -28.063 -9.661 16.434 660 HE2 HIS 80 HE2 HIS 80 -26.466 -8.308 15.055 661 H1 MET 1 1H MET 1 -0.233 -15.244 -19.847 662 H2 MET 1 2H MET 1 0.330 -16.657 -20.576 663 H3 MET 1 3H MET 1 -1.045 -15.886 -21.178 664 HA MET 1 HA MET 1 1.697 -14.794 -21.192 665 HB2 MET 1 2HB MET 1 -0.054 -15.904 -23.435 666 HB3 MET 1 1HB MET 1 1.467 -15.060 -23.699 667 HG2 MET 1 2HG MET 1 1.136 -17.680 -22.219 668 HG3 MET 1 1HG MET 1 1.744 -17.488 -23.866 669 HE1 MET 1 3HE MET 1 4.113 -16.354 -24.457 670 HE2 MET 1 1HE MET 1 5.198 -15.677 -23.242 671 HE3 MET 1 2HE MET 1 3.669 -14.877 -23.598 672 H ALA 2 H ALA 2 1.400 -12.681 -20.687 673 HA ALA 2 HA ALA 2 -0.399 -11.021 -22.288 674 HB1 ALA 2 3HB ALA 2 -0.576 -11.067 -19.250 675 HB2 ALA 2 1HB ALA 2 -1.808 -11.655 -20.368 676 HB3 ALA 2 2HB ALA 2 -1.415 -9.935 -20.318 677 H ASP 3 H ASP 3 1.435 -10.092 -23.159 678 HA ASP 3 HA ASP 3 3.570 -8.894 -21.693 679 HB2 ASP 3 2HB ASP 3 2.506 -8.243 -24.488 680 HB3 ASP 3 1HB ASP 3 4.027 -7.635 -23.830 681 H LYS 4 H LYS 4 0.595 -7.648 -23.117 682 HA LYS 4 HA LYS 4 0.660 -5.221 -21.468 683 HB2 LYS 4 2HB LYS 4 0.084 -4.940 -23.862 684 HB3 LYS 4 1HB LYS 4 -1.234 -6.099 -23.704 685 HG2 LYS 4 2HG LYS 4 -2.400 -4.580 -22.152 686 HG3 LYS 4 1HG LYS 4 -1.066 -3.425 -22.266 687 HD2 LYS 4 2HD LYS 4 -1.532 -3.119 -24.677 688 HD3 LYS 4 1HD LYS 4 -2.845 -4.300 -24.579 689 HE2 LYS 4 2HE LYS 4 -3.722 -2.009 -24.530 690 HE3 LYS 4 1HE LYS 4 -4.051 -2.832 -23.005 691 HZ1 LYS 4 3HZ LYS 4 -1.818 -0.920 -23.468 692 HZ2 LYS 4 1HZ LYS 4 -2.196 -1.670 -22.005 693 HZ3 LYS 4 2HZ LYS 4 -3.270 -0.556 -22.684 694 H LEU 5 H LEU 5 -0.390 -5.264 -19.570 695 HA LEU 5 HA LEU 5 -2.331 -7.376 -18.935 696 HB2 LEU 5 2HB LEU 5 -1.184 -5.185 -17.146 697 HB3 LEU 5 1HB LEU 5 -2.245 -6.488 -16.620 698 HG LEU 5 HG LEU 5 0.628 -6.757 -17.588 699 HD11 LEU 5 1HD1 LEU 5 0.408 -5.894 -15.307 700 HD12 LEU 5 2HD1 LEU 5 1.091 -7.519 -15.307 701 HD13 LEU 5 3HD1 LEU 5 -0.601 -7.275 -14.864 702 HD21 LEU 5 3HD2 LEU 5 -0.628 -8.676 -18.412 703 HD22 LEU 5 1HD2 LEU 5 -1.303 -8.971 -16.805 704 HD23 LEU 5 2HD2 LEU 5 0.428 -9.172 -17.094 705 H LYS 6 H LYS 6 -4.302 -6.686 -17.781 706 HA LYS 6 HA LYS 6 -5.435 -4.128 -18.761 707 HB2 LYS 6 2HB LYS 6 -6.895 -6.750 -18.161 708 HB3 LYS 6 1HB LYS 6 -7.683 -5.230 -18.565 709 HG2 LYS 6 2HG LYS 6 -5.888 -6.871 -20.380 710 HG3 LYS 6 1HG LYS 6 -7.642 -6.714 -20.501 711 HD2 LYS 6 2HD LYS 6 -5.607 -4.482 -20.908 712 HD3 LYS 6 1HD LYS 6 -6.491 -5.322 -22.181 713 HE2 LYS 6 2HE LYS 6 -7.734 -3.562 -20.031 714 HE3 LYS 6 1HE LYS 6 -7.465 -3.105 -21.710 715 HZ1 LYS 6 3HZ LYS 6 -9.739 -3.745 -21.319 716 HZ2 LYS 6 1HZ LYS 6 -9.259 -5.274 -20.780 717 HZ3 LYS 6 2HZ LYS 6 -9.002 -4.824 -22.389 718 H PHE 7 H PHE 7 -6.326 -2.827 -17.196 719 HA PHE 7 HA PHE 7 -6.617 -3.835 -14.455 720 HB2 PHE 7 2HB PHE 7 -5.733 -1.600 -13.638 721 HB3 PHE 7 1HB PHE 7 -4.512 -2.625 -14.366 722 HD1 PHE 7 HD1 PHE 7 -3.532 -2.020 -16.605 723 HD2 PHE 7 HD2 PHE 7 -6.325 0.550 -14.624 724 HE1 PHE 7 HE1 PHE 7 -2.875 -0.149 -18.075 725 HE2 PHE 7 HE2 PHE 7 -5.663 2.402 -16.099 726 HZ PHE 7 HZ PHE 7 -3.940 2.057 -17.818 727 H GLU 8 H GLU 8 -8.667 -3.398 -13.775 728 HA GLU 8 HA GLU 8 -10.236 -1.322 -15.161 729 HB2 GLU 8 2HB GLU 8 -10.594 -3.576 -16.261 730 HB3 GLU 8 1HB GLU 8 -11.165 -4.205 -14.717 731 HG2 GLU 8 2HG GLU 8 -13.043 -2.639 -14.742 732 HG3 GLU 8 1HG GLU 8 -12.451 -1.912 -16.236 733 H ILE 9 H ILE 9 -11.062 -0.075 -13.605 734 HA ILE 9 HA ILE 9 -10.619 -0.855 -10.840 735 HB ILE 9 HB ILE 9 -11.642 1.827 -11.896 736 HG12 ILE 9 2HG1 ILE 9 -8.805 0.955 -11.141 737 HG13 ILE 9 1HG1 ILE 9 -9.375 1.294 -12.770 738 HG21 ILE 9 1HG2 ILE 9 -10.996 2.702 -9.668 739 HG22 ILE 9 2HG2 ILE 9 -10.500 1.085 -9.163 740 HG23 ILE 9 3HG2 ILE 9 -12.198 1.420 -9.503 741 HD11 ILE 9 3HD1 ILE 9 -8.053 3.116 -11.926 742 HD12 ILE 9 1HD1 ILE 9 -9.115 3.296 -10.530 743 HD13 ILE 9 2HD1 ILE 9 -9.720 3.637 -12.154 744 H ILE 10 H ILE 10 -12.081 -1.763 -9.720 745 HA ILE 10 HA ILE 10 -14.817 -2.130 -10.576 746 HB ILE 10 HB ILE 10 -13.365 -3.173 -8.094 747 HG12 ILE 10 2HG1 ILE 10 -12.206 -3.956 -10.105 748 HG13 ILE 10 1HG1 ILE 10 -13.085 -5.300 -9.395 749 HG21 ILE 10 1HG2 ILE 10 -15.148 -4.892 -8.004 750 HG22 ILE 10 2HG2 ILE 10 -15.967 -4.115 -9.362 751 HG23 ILE 10 3HG2 ILE 10 -15.801 -3.262 -7.826 752 HD11 ILE 10 3HD1 ILE 10 -14.849 -5.002 -11.105 753 HD12 ILE 10 1HD1 ILE 10 -13.265 -5.362 -11.789 754 HD13 ILE 10 2HD1 ILE 10 -13.883 -3.714 -11.830 755 H GLU 11 H GLU 11 -13.003 -0.507 -7.975 756 HA GLU 11 HA GLU 11 -15.222 1.238 -7.303 757 HB2 GLU 11 2HB GLU 11 -15.795 -0.853 -6.059 758 HB3 GLU 11 1HB GLU 11 -14.229 -0.818 -5.262 759 HG2 GLU 11 2HG GLU 11 -15.972 -0.027 -3.756 760 HG3 GLU 11 1HG GLU 11 -14.849 1.281 -4.126 761 H GLU 12 H GLU 12 -14.512 3.048 -6.077 762 HA GLU 12 HA GLU 12 -11.631 3.237 -5.371 763 HB2 GLU 12 2HB GLU 12 -13.713 5.476 -5.481 764 HB3 GLU 12 1HB GLU 12 -12.021 5.678 -5.043 765 HG2 GLU 12 2HG GLU 12 -12.189 6.429 -7.279 766 HG3 GLU 12 1HG GLU 12 -11.431 4.836 -7.375 767 H LEU 13 H LEU 13 -11.050 3.155 -3.260 768 HA LEU 13 HA LEU 13 -13.218 2.708 -1.292 769 HB2 LEU 13 2HB LEU 13 -10.252 2.039 -1.120 770 HB3 LEU 13 1HB LEU 13 -11.464 1.628 0.086 771 HG LEU 13 HG LEU 13 -11.312 0.526 -2.750 772 HD11 LEU 13 1HD1 LEU 13 -10.779 -0.818 -0.083 773 HD12 LEU 13 2HD1 LEU 13 -9.585 -0.391 -1.310 774 HD13 LEU 13 3HD1 LEU 13 -10.795 -1.620 -1.658 775 HD21 LEU 13 3HD2 LEU 13 -13.179 -0.961 -2.116 776 HD22 LEU 13 1HD2 LEU 13 -13.654 0.735 -2.089 777 HD23 LEU 13 2HD2 LEU 13 -13.337 -0.115 -0.573 778 H ILE 14 H ILE 14 -10.000 4.273 -1.390 779 HA ILE 14 HA ILE 14 -10.896 6.497 0.316 780 HB ILE 14 HB ILE 14 -8.321 4.958 0.985 781 HG12 ILE 14 2HG1 ILE 14 -10.926 4.807 2.582 782 HG13 ILE 14 1HG1 ILE 14 -10.351 3.539 1.511 783 HG21 ILE 14 1HG2 ILE 14 -8.336 7.351 1.615 784 HG22 ILE 14 2HG2 ILE 14 -8.330 6.325 3.050 785 HG23 ILE 14 3HG2 ILE 14 -9.826 7.111 2.536 786 HD11 ILE 14 3HD1 ILE 14 -8.394 3.204 2.915 787 HD12 ILE 14 1HD1 ILE 14 -9.885 3.036 3.839 788 HD13 ILE 14 2HD1 ILE 14 -8.922 4.505 3.989 789 H VAL 15 H VAL 15 -10.027 8.388 -0.496 790 HA VAL 15 HA VAL 15 -7.549 8.303 -2.106 791 HB VAL 15 HB VAL 15 -9.476 10.640 -1.694 792 HG11 VAL 15 1HG1 VAL 15 -7.095 10.406 -3.587 793 HG12 VAL 15 2HG1 VAL 15 -7.181 11.419 -2.144 794 HG13 VAL 15 3HG1 VAL 15 -8.231 11.758 -3.519 795 HG21 VAL 15 3HG2 VAL 15 -9.166 8.804 -4.111 796 HG22 VAL 15 1HG2 VAL 15 -10.211 10.229 -4.023 797 HG23 VAL 15 2HG2 VAL 15 -10.534 8.834 -2.993 798 H LEU 16 H LEU 16 -5.698 8.869 -1.174 799 HA LEU 16 HA LEU 16 -5.648 9.722 1.639 800 HB2 LEU 16 2HB LEU 16 -3.360 8.647 -0.070 801 HB3 LEU 16 1HB LEU 16 -3.334 8.909 1.673 802 HG LEU 16 HG LEU 16 -4.999 6.834 0.192 803 HD11 LEU 16 1HD1 LEU 16 -2.641 6.454 2.068 804 HD12 LEU 16 2HD1 LEU 16 -2.640 6.206 0.320 805 HD13 LEU 16 3HD1 LEU 16 -3.620 5.166 1.351 806 HD21 LEU 16 3HD2 LEU 16 -4.874 7.402 3.165 807 HD22 LEU 16 1HD2 LEU 16 -5.718 6.052 2.396 808 HD23 LEU 16 2HD2 LEU 16 -6.245 7.702 2.092 809 H SER 17 H SER 17 -4.887 10.865 -1.562 810 HA SER 17 HA SER 17 -4.184 13.481 -0.899 811 HB2 SER 17 2HB SER 17 -2.104 12.447 0.026 812 HB3 SER 17 1HB SER 17 -1.756 11.743 -1.554 813 HG SER 17 HG SER 17 -1.694 14.439 -0.734 814 H GLU 18 H GLU 18 -3.349 14.633 -2.779 815 HA GLU 18 HA GLU 18 -3.754 13.444 -5.435 816 HB2 GLU 18 2HB GLU 18 -5.943 14.345 -4.797 817 HB3 GLU 18 1HB GLU 18 -5.231 15.905 -4.385 818 HG2 GLU 18 2HG GLU 18 -4.694 16.346 -6.705 819 HG3 GLU 18 1HG GLU 18 -5.156 14.713 -7.174 820 H ASN 19 H ASN 19 -2.506 14.440 -7.077 821 HA ASN 19 HA ASN 19 -0.236 16.046 -5.993 822 HB2 ASN 19 2HB ASN 19 0.067 13.879 -7.314 823 HB3 ASN 19 1HB ASN 19 -0.516 14.724 -8.730 824 HD21 ASN 19 1HD2 ASN 19 2.003 13.345 -8.135 825 HD22 ASN 19 2HD2 ASN 19 3.257 14.469 -8.522 826 H ALA 20 H ALA 20 0.601 17.910 -7.304 827 HA ALA 20 HA ALA 20 -1.262 19.791 -8.282 828 HB1 ALA 20 3HB ALA 20 1.690 19.525 -8.974 829 HB2 ALA 20 1HB ALA 20 1.025 20.394 -7.591 830 HB3 ALA 20 2HB ALA 20 0.706 20.971 -9.230 831 H LYS 21 H LYS 21 0.772 17.425 -9.989 832 HA LYS 21 HA LYS 21 -0.297 17.677 -12.603 833 HB2 LYS 21 2HB LYS 21 0.905 15.243 -11.207 834 HB3 LYS 21 1HB LYS 21 0.611 15.349 -12.939 835 HG2 LYS 21 2HG LYS 21 2.474 17.180 -11.392 836 HG3 LYS 21 1HG LYS 21 2.987 15.750 -12.291 837 HD2 LYS 21 2HD LYS 21 1.610 18.185 -13.506 838 HD3 LYS 21 1HD LYS 21 3.344 17.858 -13.567 839 HE2 LYS 21 2HE LYS 21 2.919 15.798 -14.865 840 HE3 LYS 21 1HE LYS 21 1.182 16.092 -14.776 841 HZ1 LYS 21 3HZ LYS 21 2.102 16.792 -16.900 842 HZ2 LYS 21 1HZ LYS 21 3.159 17.862 -16.118 843 HZ3 LYS 21 2HZ LYS 21 1.491 18.119 -16.048 844 H GLY 22 H GLY 22 -1.584 16.252 -9.746 845 HA2 GLY 22 2HA GLY 22 -3.974 15.967 -9.591 846 HA3 GLY 22 1HA GLY 22 -3.941 15.152 -11.149 847 H TRP 23 H TRP 23 -1.363 13.803 -10.339 848 HA TRP 23 HA TRP 23 -2.339 11.286 -9.980 849 HB2 TRP 23 2HB TRP 23 0.402 12.427 -9.365 850 HB3 TRP 23 1HB TRP 23 0.062 10.716 -9.138 851 HD1 TRP 23 HD1 TRP 23 -0.210 13.310 -12.039 852 HE1 TRP 23 HE1 TRP 23 0.388 12.128 -14.215 853 HE3 TRP 23 HE3 TRP 23 0.488 8.580 -10.193 854 HZ2 TRP 23 HZ2 TRP 23 1.076 9.478 -15.073 855 HZ3 TRP 23 HZ3 TRP 23 1.128 6.781 -11.752 856 HH2 TRP 23 HH2 TRP 23 1.415 7.229 -14.143 857 H ARG 24 H ARG 24 -3.495 10.440 -8.405 858 HA ARG 24 HA ARG 24 -3.431 11.537 -5.687 859 HB2 ARG 24 2HB ARG 24 -5.435 9.695 -7.054 860 HB3 ARG 24 1HB ARG 24 -5.577 10.290 -5.401 861 HG2 ARG 24 2HG ARG 24 -5.949 12.519 -6.114 862 HG3 ARG 24 1HG ARG 24 -5.443 12.172 -7.760 863 HD2 ARG 24 2HD ARG 24 -7.500 10.432 -7.616 864 HD3 ARG 24 1HD ARG 24 -8.039 11.571 -6.380 865 HE ARG 24 HE ARG 24 -7.728 13.318 -8.232 866 HH11 ARG 24 1HH1 ARG 24 -8.743 10.003 -8.823 867 HH12 ARG 24 2HH1 ARG 24 -9.614 10.397 -10.271 868 HH21 ARG 24 1HH2 ARG 24 -8.851 13.812 -10.152 869 HH22 ARG 24 2HH2 ARG 24 -9.672 12.557 -11.026 870 H LYS 25 H LYS 25 -2.596 10.383 -4.021 871 HA LYS 25 HA LYS 25 -1.838 7.570 -4.383 872 HB2 LYS 25 2HB LYS 25 -1.692 9.380 -1.928 873 HB3 LYS 25 1HB LYS 25 -1.156 7.699 -1.968 874 HG2 LYS 25 2HG LYS 25 0.482 8.363 -3.789 875 HG3 LYS 25 1HG LYS 25 0.038 10.050 -3.474 876 HD2 LYS 25 2HD LYS 25 0.725 9.740 -1.090 877 HD3 LYS 25 1HD LYS 25 1.235 8.093 -1.468 878 HE2 LYS 25 2HE LYS 25 2.981 8.928 -2.934 879 HE3 LYS 25 1HE LYS 25 2.407 10.589 -2.738 880 HZ1 LYS 25 3HZ LYS 25 3.543 8.859 -0.607 881 HZ2 LYS 25 1HZ LYS 25 2.899 10.397 -0.349 882 HZ3 LYS 25 2HZ LYS 25 4.280 10.205 -1.306 883 H GLU 26 H GLU 26 -3.558 6.247 -4.401 884 HA GLU 26 HA GLU 26 -5.638 6.541 -2.335 885 HB2 GLU 26 2HB GLU 26 -7.413 6.199 -4.036 886 HB3 GLU 26 1HB GLU 26 -6.502 7.680 -4.312 887 HG2 GLU 26 2HG GLU 26 -5.180 6.452 -6.074 888 HG3 GLU 26 1HG GLU 26 -6.262 5.081 -5.855 889 H LEU 27 H LEU 27 -6.829 4.776 -1.874 890 HA LEU 27 HA LEU 27 -5.887 2.112 -2.674 891 HB2 LEU 27 2HB LEU 27 -5.857 2.546 -0.249 892 HB3 LEU 27 1HB LEU 27 -7.521 3.103 -0.300 893 HG LEU 27 HG LEU 27 -8.259 0.791 -0.905 894 HD11 LEU 27 1HD1 LEU 27 -6.256 -0.068 -1.971 895 HD12 LEU 27 2HD1 LEU 27 -6.747 -1.120 -0.647 896 HD13 LEU 27 3HD1 LEU 27 -5.379 -0.020 -0.439 897 HD21 LEU 27 3HD2 LEU 27 -8.004 -0.160 1.326 898 HD22 LEU 27 1HD2 LEU 27 -8.327 1.570 1.411 899 HD23 LEU 27 2HD2 LEU 27 -6.689 0.965 1.679 900 H ASN 28 H ASN 28 -7.130 1.212 -4.164 901 HA ASN 28 HA ASN 28 -10.051 1.573 -4.250 902 HB2 ASN 28 2HB ASN 28 -10.041 2.040 -6.631 903 HB3 ASN 28 1HB ASN 28 -8.963 3.188 -5.865 904 HD21 ASN 28 1HD2 ASN 28 -6.723 1.111 -5.718 905 HD22 ASN 28 2HD2 ASN 28 -6.160 0.972 -7.338 906 H ARG 29 H ARG 29 -11.069 -0.182 -5.626 907 HA ARG 29 HA ARG 29 -9.536 -2.694 -5.492 908 HB2 ARG 29 2HB ARG 29 -12.537 -2.205 -5.765 909 HB3 ARG 29 1HB ARG 29 -11.780 -3.794 -5.905 910 HG2 ARG 29 2HG ARG 29 -10.881 -3.481 -3.564 911 HG3 ARG 29 1HG ARG 29 -11.859 -2.014 -3.450 912 HD2 ARG 29 2HD ARG 29 -13.041 -3.850 -2.400 913 HD3 ARG 29 1HD ARG 29 -13.895 -3.388 -3.875 914 HE ARG 29 HE ARG 29 -12.074 -5.736 -3.727 915 HH11 ARG 29 1HH1 ARG 29 -15.119 -4.333 -4.775 916 HH12 ARG 29 2HH1 ARG 29 -15.648 -5.774 -5.586 917 HH21 ARG 29 1HH2 ARG 29 -12.794 -7.637 -4.797 918 HH22 ARG 29 2HH2 ARG 29 -14.335 -7.635 -5.596 919 H VAL 30 H VAL 30 -8.795 -3.499 -7.301 920 HA VAL 30 HA VAL 30 -9.843 -2.655 -9.941 921 HB VAL 30 HB VAL 30 -6.903 -3.039 -9.146 922 HG11 VAL 30 1HG1 VAL 30 -8.024 -2.283 -11.872 923 HG12 VAL 30 2HG1 VAL 30 -7.250 -3.813 -11.450 924 HG13 VAL 30 3HG1 VAL 30 -6.311 -2.320 -11.434 925 HG21 VAL 30 3HG2 VAL 30 -6.628 -0.633 -9.634 926 HG22 VAL 30 1HG2 VAL 30 -7.798 -0.897 -8.338 927 HG23 VAL 30 2HG2 VAL 30 -8.358 -0.495 -9.963 928 H SER 31 H SER 31 -9.698 -4.238 -11.562 929 HA SER 31 HA SER 31 -9.196 -7.041 -10.761 930 HB2 SER 31 2HB SER 31 -11.559 -6.608 -11.416 931 HB3 SER 31 1HB SER 31 -11.021 -5.942 -12.955 932 HG SER 31 HG SER 31 -11.342 -8.546 -12.195 933 H TRP 32 H TRP 32 -7.504 -7.959 -11.785 934 HA TRP 32 HA TRP 32 -6.159 -6.535 -13.991 935 HB2 TRP 32 2HB TRP 32 -5.120 -8.553 -11.956 936 HB3 TRP 32 1HB TRP 32 -4.166 -7.933 -13.301 937 HD1 TRP 32 HD1 TRP 32 -5.444 -6.920 -9.823 938 HE1 TRP 32 HE1 TRP 32 -4.243 -4.736 -9.130 939 HE3 TRP 32 HE3 TRP 32 -3.255 -5.705 -14.305 940 HZ2 TRP 32 HZ2 TRP 32 -2.674 -2.740 -10.329 941 HZ3 TRP 32 HZ3 TRP 32 -1.924 -3.637 -14.444 942 HH2 TRP 32 HH2 TRP 32 -1.642 -2.184 -12.495 943 H ASN 33 H ASN 33 -6.650 -7.308 -15.897 944 HA ASN 33 HA ASN 33 -7.254 -8.603 -17.663 945 HB2 ASN 33 2HB ASN 33 -5.627 -10.639 -16.090 946 HB3 ASN 33 1HB ASN 33 -6.275 -10.993 -17.687 947 HD21 ASN 33 1HD2 ASN 33 -3.490 -10.846 -16.780 948 HD22 ASN 33 2HD2 ASN 33 -2.729 -9.703 -17.824 949 H ASP 34 H ASP 34 -9.229 -8.202 -15.830 950 HA ASP 34 HA ASP 34 -11.233 -8.790 -15.008 951 HB2 ASP 34 2HB ASP 34 -11.577 -9.057 -17.503 952 HB3 ASP 34 1HB ASP 34 -11.249 -10.774 -17.323 953 H ALA 35 H ALA 35 -9.041 -10.083 -13.741 954 HA ALA 35 HA ALA 35 -9.948 -12.796 -13.049 955 HB1 ALA 35 3HB ALA 35 -7.491 -11.251 -12.128 956 HB2 ALA 35 1HB ALA 35 -7.536 -12.445 -13.425 957 HB3 ALA 35 2HB ALA 35 -7.852 -12.942 -11.763 958 H GLU 36 H GLU 36 -9.414 -13.057 -10.473 959 HA GLU 36 HA GLU 36 -11.454 -12.151 -8.951 960 HB2 GLU 36 2HB GLU 36 -9.901 -12.609 -6.946 961 HB3 GLU 36 1HB GLU 36 -10.103 -13.913 -8.112 962 HG2 GLU 36 2HG GLU 36 -7.940 -13.353 -9.155 963 HG3 GLU 36 1HG GLU 36 -7.734 -12.013 -8.029 964 HA PRO 37 HA PRO 37 -10.425 -7.702 -8.811 965 HB2 PRO 37 2HB PRO 37 -12.782 -6.850 -7.673 966 HB3 PRO 37 1HB PRO 37 -12.649 -7.289 -9.389 967 HG2 PRO 37 2HG PRO 37 -13.701 -8.921 -7.102 968 HG3 PRO 37 1HG PRO 37 -14.358 -8.734 -8.744 969 HD2 PRO 37 2HD PRO 37 -12.904 -10.906 -8.001 970 HD3 PRO 37 1HD PRO 37 -12.878 -10.264 -9.661 971 H LYS 38 H LYS 38 -9.299 -6.603 -7.211 972 HA LYS 38 HA LYS 38 -9.565 -7.425 -4.431 973 HB2 LYS 38 2HB LYS 38 -7.192 -8.078 -4.212 974 HB3 LYS 38 1HB LYS 38 -8.075 -9.151 -5.292 975 HG2 LYS 38 2HG LYS 38 -7.049 -8.080 -7.246 976 HG3 LYS 38 1HG LYS 38 -6.222 -6.918 -6.197 977 HD2 LYS 38 2HD LYS 38 -4.709 -8.768 -6.902 978 HD3 LYS 38 1HD LYS 38 -4.926 -8.718 -5.150 979 HE2 LYS 38 2HE LYS 38 -6.653 -10.535 -5.373 980 HE3 LYS 38 1HE LYS 38 -6.272 -10.628 -7.093 981 HZ1 LYS 38 3HZ LYS 38 -5.103 -12.318 -5.876 982 HZ2 LYS 38 1HZ LYS 38 -4.395 -11.169 -4.855 983 HZ3 LYS 38 2HZ LYS 38 -3.991 -11.207 -6.494 984 H TYR 39 H TYR 39 -7.589 -6.359 -3.202 985 HA TYR 39 HA TYR 39 -8.220 -3.562 -3.459 986 HB2 TYR 39 2HB TYR 39 -6.612 -5.089 -1.352 987 HB3 TYR 39 1HB TYR 39 -7.249 -3.445 -1.194 988 HD1 TYR 39 HD2 TYR 39 -9.710 -3.070 -1.038 989 HD2 TYR 39 HD1 TYR 39 -8.121 -7.043 -1.086 990 HE1 TYR 39 HE2 TYR 39 -11.878 -3.951 -0.306 991 HE2 TYR 39 HE1 TYR 39 -10.306 -7.915 -0.366 992 HH TYR 39 HH TYR 39 -12.320 -7.043 0.839 993 H ASP 40 H ASP 40 -6.925 -2.126 -4.188 994 HA ASP 40 HA ASP 40 -4.123 -2.718 -4.959 995 HB2 ASP 40 2HB ASP 40 -5.865 -2.823 -6.834 996 HB3 ASP 40 1HB ASP 40 -6.173 -1.113 -6.562 997 H ILE 41 H ILE 41 -2.662 -1.123 -4.369 998 HA ILE 41 HA ILE 41 -3.710 1.477 -3.451 999 HB ILE 41 HB ILE 41 -3.600 0.269 -1.365 1000 HG12 ILE 41 2HG1 ILE 41 -1.150 2.082 -1.591 1001 HG13 ILE 41 1HG1 ILE 41 -2.799 2.617 -1.301 1002 HG21 ILE 41 1HG2 ILE 41 -0.741 -0.517 -1.990 1003 HG22 ILE 41 2HG2 ILE 41 -2.140 -1.593 -2.003 1004 HG23 ILE 41 3HG2 ILE 41 -1.605 -0.861 -0.488 1005 HD11 ILE 41 3HD1 ILE 41 -2.776 1.449 0.862 1006 HD12 ILE 41 1HD1 ILE 41 -1.515 2.672 0.730 1007 HD13 ILE 41 2HD1 ILE 41 -1.101 0.965 0.569 1008 H ARG 42 H ARG 42 -2.681 2.969 -4.419 1009 HA ARG 42 HA ARG 42 0.110 3.176 -4.897 1010 HB2 ARG 42 2HB ARG 42 0.212 2.928 -7.359 1011 HB3 ARG 42 1HB ARG 42 -0.165 1.416 -6.558 1012 HG2 ARG 42 2HG ARG 42 -2.429 1.467 -7.284 1013 HG3 ARG 42 1HG ARG 42 -2.293 3.146 -7.818 1014 HD2 ARG 42 2HD ARG 42 -2.189 1.220 -9.603 1015 HD3 ARG 42 1HD ARG 42 -1.079 2.585 -9.740 1016 HE ARG 42 HE ARG 42 0.690 1.211 -9.148 1017 HH11 ARG 42 1HH1 ARG 42 -2.287 -0.620 -8.952 1018 HH12 ARG 42 2HH1 ARG 42 -1.469 -2.145 -8.855 1019 HH21 ARG 42 1HH2 ARG 42 1.754 -0.769 -8.953 1020 HH22 ARG 42 2HH2 ARG 42 0.824 -2.230 -8.857 1021 H THR 43 H THR 43 0.457 4.823 -6.920 1022 HA THR 43 HA THR 43 -1.374 7.049 -6.481 1023 HB THR 43 HB THR 43 1.381 7.038 -7.819 1024 HG1 THR 43 HG1 THR 43 0.666 7.026 -5.119 1025 HG21 THR 43 3HG2 THR 43 1.352 9.453 -7.279 1026 HG22 THR 43 1HG2 THR 43 -0.261 9.281 -6.583 1027 HG23 THR 43 2HG2 THR 43 -0.014 9.020 -8.313 1028 H TRP 44 H TRP 44 -2.822 7.354 -8.055 1029 HA TRP 44 HA TRP 44 -2.458 6.227 -10.778 1030 HB2 TRP 44 2HB TRP 44 -4.983 6.865 -9.174 1031 HB3 TRP 44 1HB TRP 44 -5.013 6.521 -10.897 1032 HD1 TRP 44 HD1 TRP 44 -4.769 4.777 -7.515 1033 HE1 TRP 44 HE1 TRP 44 -5.084 2.255 -7.889 1034 HE3 TRP 44 HE3 TRP 44 -4.414 4.647 -12.613 1035 HZ2 TRP 44 HZ2 TRP 44 -5.118 0.437 -10.028 1036 HZ3 TRP 44 HZ3 TRP 44 -4.589 2.470 -13.747 1037 HH2 TRP 44 HH2 TRP 44 -4.934 0.403 -12.481 1038 H SER 45 H SER 45 -2.964 7.602 -12.525 1039 HA SER 45 HA SER 45 -2.608 10.387 -12.348 1040 HB2 SER 45 2HB SER 45 -3.481 10.363 -14.728 1041 HB3 SER 45 1HB SER 45 -2.208 9.183 -14.421 1042 HG SER 45 HG SER 45 -3.936 7.633 -14.094 1043 HA PRO 46 HA PRO 46 -6.704 12.067 -11.323 1044 HB2 PRO 46 2HB PRO 46 -6.995 14.117 -13.194 1045 HB3 PRO 46 1HB PRO 46 -5.990 14.238 -11.734 1046 HG2 PRO 46 2HG PRO 46 -5.147 13.558 -14.540 1047 HG3 PRO 46 1HG PRO 46 -4.388 14.673 -13.379 1048 HD2 PRO 46 2HD PRO 46 -3.382 12.223 -13.743 1049 HD3 PRO 46 1HD PRO 46 -3.443 12.931 -12.113 1050 H ASP 47 H ASP 47 -5.998 10.892 -14.509 1051 HA ASP 47 HA ASP 47 -8.829 10.628 -15.276 1052 HB2 ASP 47 2HB ASP 47 -6.285 10.057 -16.879 1053 HB3 ASP 47 1HB ASP 47 -7.929 10.000 -17.509 1054 H HIS 48 H HIS 48 -6.505 8.845 -13.633 1055 HA HIS 48 HA HIS 48 -6.155 6.703 -13.019 1056 HB2 HIS 48 2HB HIS 48 -9.065 6.450 -13.851 1057 HB3 HIS 48 1HB HIS 48 -8.177 5.114 -13.132 1058 HD1 HIS 48 HD1 HIS 48 -10.615 6.052 -11.694 1059 HD2 HIS 48 HD2 HIS 48 -6.869 7.675 -10.951 1060 HE1 HIS 48 HE1 HIS 48 -10.719 6.946 -9.355 1061 HE2 HIS 48 HE2 HIS 48 -8.372 7.648 -8.861 1062 H GLU 49 H GLU 49 -5.779 7.511 -15.954 1063 HA GLU 49 HA GLU 49 -6.046 4.974 -17.405 1064 HB2 GLU 49 2HB GLU 49 -5.363 6.251 -19.382 1065 HB3 GLU 49 1HB GLU 49 -6.663 7.091 -18.546 1066 HG2 GLU 49 2HG GLU 49 -5.084 8.695 -17.599 1067 HG3 GLU 49 1HG GLU 49 -3.726 7.818 -18.296 1068 H LYS 50 H LYS 50 -3.784 6.633 -15.539 1069 HA LYS 50 HA LYS 50 -1.475 5.118 -16.575 1070 HB2 LYS 50 2HB LYS 50 -1.492 7.915 -15.365 1071 HB3 LYS 50 1HB LYS 50 -0.042 7.013 -15.734 1072 HG2 LYS 50 2HG LYS 50 -1.992 7.705 -17.933 1073 HG3 LYS 50 1HG LYS 50 -0.868 8.916 -17.333 1074 HD2 LYS 50 2HD LYS 50 0.180 7.947 -19.232 1075 HD3 LYS 50 1HD LYS 50 1.011 7.276 -17.834 1076 HE2 LYS 50 2HE LYS 50 -0.305 5.212 -18.038 1077 HE3 LYS 50 1HE LYS 50 -1.148 5.876 -19.442 1078 HZ1 LYS 50 3HZ LYS 50 0.971 5.992 -20.600 1079 HZ2 LYS 50 1HZ LYS 50 0.638 4.410 -20.116 1080 HZ3 LYS 50 2HZ LYS 50 1.765 5.332 -19.266 1081 H MET 51 H MET 51 -0.645 3.797 -15.118 1082 HA MET 51 HA MET 51 -1.192 4.124 -12.217 1083 HB2 MET 51 2HB MET 51 -0.639 1.698 -12.049 1084 HB3 MET 51 1HB MET 51 -2.006 2.006 -13.106 1085 HG2 MET 51 2HG MET 51 -0.515 1.731 -15.078 1086 HG3 MET 51 1HG MET 51 0.815 1.335 -13.987 1087 HE1 MET 51 3HE MET 51 -0.337 -2.059 -15.799 1088 HE2 MET 51 1HE MET 51 0.977 -0.889 -15.671 1089 HE3 MET 51 2HE MET 51 -0.525 -0.448 -16.492 1090 H GLY 52 H GLY 52 0.613 3.444 -10.785 1091 HA2 GLY 52 2HA GLY 52 3.331 3.532 -11.870 1092 HA3 GLY 52 1HA GLY 52 2.839 4.896 -10.871 1093 H LYS 53 H LYS 53 4.300 4.456 -9.228 1094 HA LYS 53 HA LYS 53 4.993 1.980 -8.171 1095 HB2 LYS 53 2HB LYS 53 5.019 4.668 -6.725 1096 HB3 LYS 53 1HB LYS 53 5.925 3.234 -6.247 1097 HG2 LYS 53 2HG LYS 53 6.318 4.800 -8.819 1098 HG3 LYS 53 1HG LYS 53 7.354 4.876 -7.390 1099 HD2 LYS 53 2HD LYS 53 7.935 2.477 -7.696 1100 HD3 LYS 53 1HD LYS 53 6.903 2.408 -9.129 1101 HE2 LYS 53 2HE LYS 53 9.239 2.656 -9.790 1102 HE3 LYS 53 1HE LYS 53 8.346 4.115 -10.219 1103 HZ1 LYS 53 3HZ LYS 53 10.072 3.789 -7.821 1104 HZ2 LYS 53 1HZ LYS 53 9.235 5.192 -8.254 1105 HZ3 LYS 53 2HZ LYS 53 10.485 4.624 -9.233 1106 H GLY 54 H GLY 54 3.785 0.494 -7.079 1107 HA2 GLY 54 2HA GLY 54 2.453 0.965 -4.690 1108 HA3 GLY 54 1HA GLY 54 1.253 0.986 -5.971 1109 H ILE 55 H ILE 55 0.541 -0.898 -4.579 1110 HA ILE 55 HA ILE 55 1.725 -3.427 -5.459 1111 HB ILE 55 HB ILE 55 3.039 -2.908 -3.464 1112 HG12 ILE 55 2HG1 ILE 55 0.968 -5.062 -2.824 1113 HG13 ILE 55 1HG1 ILE 55 2.458 -5.286 -3.729 1114 HG21 ILE 55 1HG2 ILE 55 1.541 -1.284 -2.400 1115 HG22 ILE 55 2HG2 ILE 55 2.076 -2.500 -1.241 1116 HG23 ILE 55 3HG2 ILE 55 0.447 -2.587 -1.917 1117 HD11 ILE 55 3HD1 ILE 55 2.687 -6.155 -1.499 1118 HD12 ILE 55 1HD1 ILE 55 2.242 -4.598 -0.798 1119 HD13 ILE 55 2HD1 ILE 55 3.747 -4.765 -1.706 1120 H THR 56 H THR 56 0.353 -5.186 -5.213 1121 HA THR 56 HA THR 56 -2.527 -4.658 -4.876 1122 HB THR 56 HB THR 56 -2.642 -7.145 -5.752 1123 HG1 THR 56 HG1 THR 56 -0.624 -7.326 -7.212 1124 HG21 THR 56 3HG2 THR 56 -3.360 -5.221 -7.114 1125 HG22 THR 56 1HG2 THR 56 -2.512 -6.410 -8.100 1126 HG23 THR 56 2HG2 THR 56 -1.687 -4.930 -7.604 1127 H LEU 57 H LEU 57 -3.748 -5.789 -3.459 1128 HA LEU 57 HA LEU 57 -2.564 -7.557 -1.427 1129 HB2 LEU 57 2HB LEU 57 -4.577 -5.304 -0.934 1130 HB3 LEU 57 1HB LEU 57 -3.992 -6.434 0.280 1131 HG LEU 57 HG LEU 57 -2.347 -4.285 -1.118 1132 HD11 LEU 57 1HD1 LEU 57 -3.905 -3.346 0.504 1133 HD12 LEU 57 2HD1 LEU 57 -2.248 -3.200 1.086 1134 HD13 LEU 57 3HD1 LEU 57 -3.312 -4.442 1.757 1135 HD21 LEU 57 3HD2 LEU 57 -0.938 -6.223 -0.680 1136 HD22 LEU 57 1HD2 LEU 57 -1.472 -6.278 1.003 1137 HD23 LEU 57 2HD2 LEU 57 -0.512 -4.915 0.419 1138 H SER 58 H SER 58 -3.761 -9.344 -1.175 1139 HA SER 58 HA SER 58 -6.230 -9.751 -2.700 1140 HB2 SER 58 2HB SER 58 -4.596 -11.690 -0.994 1141 HB3 SER 58 1HB SER 58 -5.878 -12.117 -2.130 1142 HG SER 58 HG SER 58 -3.244 -11.540 -2.604 1143 H GLU 59 H GLU 59 -8.010 -11.096 -1.395 1144 HA GLU 59 HA GLU 59 -9.160 -9.537 0.587 1145 HB2 GLU 59 2HB GLU 59 -9.521 -12.524 0.115 1146 HB3 GLU 59 1HB GLU 59 -10.625 -11.500 1.035 1147 HG2 GLU 59 2HG GLU 59 -11.179 -10.219 -0.970 1148 HG3 GLU 59 1HG GLU 59 -9.992 -11.127 -1.909 1149 H GLU 60 H GLU 60 -7.174 -12.450 0.943 1150 HA GLU 60 HA GLU 60 -7.228 -12.744 3.735 1151 HB2 GLU 60 2HB GLU 60 -5.081 -13.523 1.722 1152 HB3 GLU 60 1HB GLU 60 -5.116 -14.072 3.398 1153 HG2 GLU 60 2HG GLU 60 -7.249 -15.223 3.007 1154 HG3 GLU 60 1HG GLU 60 -7.289 -14.628 1.347 1155 H GLU 61 H GLU 61 -4.821 -11.102 1.649 1156 HA GLU 61 HA GLU 61 -2.976 -10.365 3.654 1157 HB2 GLU 61 2HB GLU 61 -3.478 -8.990 0.976 1158 HB3 GLU 61 1HB GLU 61 -2.041 -8.803 1.987 1159 HG2 GLU 61 2HG GLU 61 -1.516 -11.202 1.670 1160 HG3 GLU 61 1HG GLU 61 -2.937 -11.357 0.627 1161 H PHE 62 H PHE 62 -5.439 -8.453 1.991 1162 HA PHE 62 HA PHE 62 -5.150 -6.052 3.400 1163 HB2 PHE 62 2HB PHE 62 -6.212 -6.281 1.153 1164 HB3 PHE 62 1HB PHE 62 -7.581 -7.107 1.886 1165 HD1 PHE 62 HD2 PHE 62 -5.713 -3.863 1.890 1166 HD2 PHE 62 HD1 PHE 62 -9.431 -5.833 2.694 1167 HE1 PHE 62 HE2 PHE 62 -6.808 -1.687 2.218 1168 HE2 PHE 62 HE1 PHE 62 -10.510 -3.648 3.022 1169 HZ PHE 62 HZ PHE 62 -9.203 -1.579 2.783 1170 H GLY 63 H GLY 63 -7.271 -8.884 3.921 1171 HA2 GLY 63 2HA GLY 63 -8.816 -7.945 6.040 1172 HA3 GLY 63 1HA GLY 63 -8.367 -9.620 5.773 1173 H VAL 64 H VAL 64 -5.662 -9.633 6.118 1174 HA VAL 64 HA VAL 64 -5.259 -9.625 8.909 1175 HB VAL 64 HB VAL 64 -3.224 -9.727 6.626 1176 HG11 VAL 64 1HG1 VAL 64 -2.073 -8.949 8.652 1177 HG12 VAL 64 2HG1 VAL 64 -1.579 -10.597 8.264 1178 HG13 VAL 64 3HG1 VAL 64 -2.727 -10.304 9.575 1179 HG21 VAL 64 3HG2 VAL 64 -4.806 -11.628 6.671 1180 HG22 VAL 64 1HG2 VAL 64 -4.368 -11.971 8.346 1181 HG23 VAL 64 2HG2 VAL 64 -3.170 -12.160 7.061 1182 H LEU 65 H LEU 65 -4.475 -7.238 6.366 1183 HA LEU 65 HA LEU 65 -3.008 -5.369 7.825 1184 HB2 LEU 65 2HB LEU 65 -3.393 -5.388 5.327 1185 HB3 LEU 65 1HB LEU 65 -5.025 -4.818 5.613 1186 HG LEU 65 HG LEU 65 -3.979 -2.737 6.708 1187 HD11 LEU 65 1HD1 LEU 65 -1.444 -3.776 5.421 1188 HD12 LEU 65 2HD1 LEU 65 -1.757 -3.615 7.150 1189 HD13 LEU 65 3HD1 LEU 65 -1.678 -2.178 6.139 1190 HD21 LEU 65 3HD2 LEU 65 -4.973 -2.701 4.461 1191 HD22 LEU 65 1HD2 LEU 65 -3.434 -3.206 3.755 1192 HD23 LEU 65 2HD2 LEU 65 -3.571 -1.636 4.553 1193 H LEU 66 H LEU 66 -6.569 -5.515 7.224 1194 HA LEU 66 HA LEU 66 -7.365 -3.249 8.632 1195 HB2 LEU 66 2HB LEU 66 -8.907 -5.838 8.185 1196 HB3 LEU 66 1HB LEU 66 -9.622 -4.338 8.732 1197 HG LEU 66 HG LEU 66 -8.326 -4.774 6.022 1198 HD11 LEU 66 1HD1 LEU 66 -10.592 -4.584 5.101 1199 HD12 LEU 66 2HD1 LEU 66 -11.260 -4.473 6.733 1200 HD13 LEU 66 3HD1 LEU 66 -10.456 -5.953 6.203 1201 HD21 LEU 66 3HD2 LEU 66 -9.701 -2.309 7.136 1202 HD22 LEU 66 1HD2 LEU 66 -9.179 -2.528 5.459 1203 HD23 LEU 66 2HD2 LEU 66 -7.987 -2.483 6.752 1204 H LYS 67 H LYS 67 -7.113 -6.617 9.717 1205 HA LYS 67 HA LYS 67 -8.162 -6.434 12.324 1206 HB2 LYS 67 2HB LYS 67 -6.070 -8.289 11.114 1207 HB3 LYS 67 1HB LYS 67 -6.727 -8.521 12.730 1208 HG2 LYS 67 2HG LYS 67 -8.835 -9.170 11.940 1209 HG3 LYS 67 1HG LYS 67 -8.611 -8.382 10.378 1210 HD2 LYS 67 2HD LYS 67 -8.530 -10.913 10.320 1211 HD3 LYS 67 1HD LYS 67 -7.142 -10.097 9.600 1212 HE2 LYS 67 2HE LYS 67 -6.417 -12.012 10.913 1213 HE3 LYS 67 1HE LYS 67 -5.836 -10.533 11.672 1214 HZ1 LYS 67 3HZ LYS 67 -7.705 -10.688 13.217 1215 HZ2 LYS 67 1HZ LYS 67 -6.712 -12.050 13.304 1216 HZ3 LYS 67 2HZ LYS 67 -8.193 -12.132 12.495 1217 H GLU 68 H GLU 68 -4.778 -6.431 11.230 1218 HA GLU 68 HA GLU 68 -3.733 -6.016 13.837 1219 HB2 GLU 68 2HB GLU 68 -2.372 -5.839 11.123 1220 HB3 GLU 68 1HB GLU 68 -1.533 -5.787 12.672 1221 HG2 GLU 68 2HG GLU 68 -3.082 -8.115 11.503 1222 HG3 GLU 68 1HG GLU 68 -1.340 -8.005 11.768 1223 H LEU 69 H LEU 69 -4.587 -3.825 11.207 1224 HA LEU 69 HA LEU 69 -3.382 -1.497 12.335 1225 HB2 LEU 69 2HB LEU 69 -5.677 -1.773 10.357 1226 HB3 LEU 69 1HB LEU 69 -5.063 -0.215 10.894 1227 HG LEU 69 HG LEU 69 -3.501 -2.302 9.324 1228 HD11 LEU 69 1HD1 LEU 69 -4.545 0.406 8.472 1229 HD12 LEU 69 2HD1 LEU 69 -5.176 -1.166 7.974 1230 HD13 LEU 69 3HD1 LEU 69 -3.551 -0.683 7.496 1231 HD21 LEU 69 3HD2 LEU 69 -1.709 -0.660 9.166 1232 HD22 LEU 69 1HD2 LEU 69 -2.005 -1.109 10.844 1233 HD23 LEU 69 2HD2 LEU 69 -2.590 0.440 10.231 1234 H GLY 70 H GLY 70 -6.569 -3.044 12.601 1235 HA2 GLY 70 2HA GLY 70 -7.886 -1.206 14.264 1236 HA3 GLY 70 1HA GLY 70 -8.194 -2.936 14.217 1237 H ASN 71 H ASN 71 -5.611 -3.779 14.998 1238 HA ASN 71 HA ASN 71 -5.642 -3.561 17.868 1239 HB2 ASN 71 2HB ASN 71 -3.354 -4.544 16.093 1240 HB3 ASN 71 1HB ASN 71 -3.509 -4.827 17.826 1241 HD21 ASN 71 1HD2 ASN 71 -3.287 -6.755 15.665 1242 HD22 ASN 71 2HD2 ASN 71 -4.696 -7.750 15.740 1243 H LYS 72 H LYS 72 -3.196 -2.526 15.535 1244 HA LYS 72 HA LYS 72 -1.714 -0.746 16.974 1245 HB2 LYS 72 2HB LYS 72 -2.311 -0.626 14.001 1246 HB3 LYS 72 1HB LYS 72 -1.015 0.272 14.794 1247 HG2 LYS 72 2HG LYS 72 0.025 -1.861 15.511 1248 HG3 LYS 72 1HG LYS 72 -1.271 -2.754 14.718 1249 HD2 LYS 72 2HD LYS 72 0.647 -2.762 13.253 1250 HD3 LYS 72 1HD LYS 72 -0.592 -1.724 12.536 1251 HE2 LYS 72 2HE LYS 72 1.641 -0.709 12.362 1252 HE3 LYS 72 1HE LYS 72 0.586 0.273 13.383 1253 HZ1 LYS 72 3HZ LYS 72 1.630 -0.674 15.329 1254 HZ2 LYS 72 1HZ LYS 72 2.816 -0.014 14.323 1255 HZ3 LYS 72 2HZ LYS 72 2.586 -1.685 14.380 1256 H LEU 73 H LEU 73 -4.942 -0.067 15.810 1257 HA LEU 73 HA LEU 73 -4.728 2.808 16.092 1258 HB2 LEU 73 2HB LEU 73 -7.086 0.966 15.579 1259 HB3 LEU 73 1HB LEU 73 -7.312 2.686 15.865 1260 HG LEU 73 HG LEU 73 -5.677 1.504 13.588 1261 HD11 LEU 73 1HD1 LEU 73 -8.436 2.765 13.487 1262 HD12 LEU 73 2HD1 LEU 73 -8.060 1.054 13.265 1263 HD13 LEU 73 3HD1 LEU 73 -7.475 2.238 12.098 1264 HD21 LEU 73 3HD2 LEU 73 -4.815 3.675 14.306 1265 HD22 LEU 73 1HD2 LEU 73 -6.424 4.390 14.165 1266 HD23 LEU 73 2HD2 LEU 73 -5.582 3.804 12.730 1267 H GLU 74 H GLU 74 -4.613 0.492 18.335 1268 HA GLU 74 HA GLU 74 -6.025 2.050 20.411 1269 HB2 GLU 74 2HB GLU 74 -5.093 -0.861 20.501 1270 HB3 GLU 74 1HB GLU 74 -6.079 -0.032 21.709 1271 HG2 GLU 74 2HG GLU 74 -7.924 0.181 20.108 1272 HG3 GLU 74 1HG GLU 74 -6.937 -0.541 18.838 1273 H HIS 75 H HIS 75 -3.246 2.324 19.087 1274 HA HIS 75 HA HIS 75 -1.408 1.908 21.318 1275 HB2 HIS 75 2HB HIS 75 -0.509 1.422 19.095 1276 HB3 HIS 75 1HB HIS 75 -0.960 3.021 18.511 1277 HD1 HIS 75 HD1 HIS 75 1.393 1.469 21.085 1278 HD2 HIS 75 HD2 HIS 75 1.033 4.896 18.752 1279 HE1 HIS 75 HE1 HIS 75 3.496 2.797 21.481 1280 HE2 HIS 75 HE2 HIS 75 3.167 4.932 20.200 1281 H HIS 76 H HIS 76 -2.168 3.340 22.876 1282 HA HIS 76 HA HIS 76 -2.022 5.193 24.161 1283 HB2 HIS 76 2HB HIS 76 0.354 4.629 23.766 1284 HB3 HIS 76 1HB HIS 76 0.389 5.706 22.376 1285 HD1 HIS 76 HD1 HIS 76 0.102 5.776 26.141 1286 HD2 HIS 76 HD2 HIS 76 0.881 8.379 22.995 1287 HE1 HIS 76 HE1 HIS 76 0.887 7.908 27.197 1288 HE2 HIS 76 HE2 HIS 76 1.211 9.500 25.292 1289 H HIS 77 H HIS 77 -3.992 6.125 23.421 1290 HA HIS 77 HA HIS 77 -3.765 8.572 21.760 1291 HB2 HIS 77 2HB HIS 77 -6.218 6.912 22.502 1292 HB3 HIS 77 1HB HIS 77 -6.288 8.445 21.638 1293 HD1 HIS 77 HD1 HIS 77 -6.262 8.267 19.167 1294 HD2 HIS 77 HD2 HIS 77 -4.685 4.871 20.970 1295 HE1 HIS 77 HE1 HIS 77 -5.896 6.619 17.315 1296 HE2 HIS 77 HE2 HIS 77 -4.941 4.592 18.426 1297 H HIS 78 H HIS 78 -5.848 7.502 24.426 1298 HA HIS 78 HA HIS 78 -5.076 9.686 26.188 1299 HB2 HIS 78 2HB HIS 78 -7.883 9.470 25.008 1300 HB3 HIS 78 1HB HIS 78 -7.556 10.333 26.502 1301 HD1 HIS 78 HD1 HIS 78 -8.131 11.067 23.118 1302 HD2 HIS 78 HD2 HIS 78 -5.336 12.374 25.904 1303 HE1 HIS 78 HE1 HIS 78 -7.293 13.278 22.258 1304 HE2 HIS 78 HE2 HIS 78 -5.590 14.021 23.942 1305 H HIS 79 H HIS 79 -6.299 9.469 28.301 1306 HA HIS 79 HA HIS 79 -5.969 6.746 29.204 1307 HB2 HIS 79 2HB HIS 79 -6.773 9.283 30.699 1308 HB3 HIS 79 1HB HIS 79 -6.507 7.727 31.480 1309 HD1 HIS 79 HD1 HIS 79 -4.241 7.493 32.447 1310 HD2 HIS 79 HD2 HIS 79 -4.249 10.125 29.228 1311 HE1 HIS 79 HE1 HIS 79 -1.893 8.364 32.273 1312 HE2 HIS 79 HE2 HIS 79 -1.931 9.958 30.338 1313 H HIS 80 H HIS 80 -7.573 5.297 28.826 1314 HA HIS 80 HA HIS 80 -10.195 5.709 29.938 1315 HB2 HIS 80 2HB HIS 80 -11.508 5.214 27.927 1316 HB3 HIS 80 1HB HIS 80 -10.552 6.662 27.671 1317 HD1 HIS 80 HD1 HIS 80 -8.513 6.434 25.993 1318 HD2 HIS 80 HD2 HIS 80 -11.087 3.169 26.084 1319 HE1 HIS 80 HE1 HIS 80 -7.996 5.097 23.930 1320 HE2 HIS 80 HE2 HIS 80 -9.413 3.044 24.122 Start of MODEL 12 1 H1 MET 1 1H MET 1 15.003 12.708 -8.573 2 H2 MET 1 2H MET 1 14.295 14.003 -9.402 3 H3 MET 1 3H MET 1 15.281 14.295 -8.065 4 HA MET 1 HA MET 1 16.174 13.042 -10.574 5 HB2 MET 1 2HB MET 1 17.297 15.195 -11.094 6 HB3 MET 1 1HB MET 1 15.554 15.368 -11.003 7 HG2 MET 1 2HG MET 1 16.486 17.293 -9.976 8 HG3 MET 1 1HG MET 1 15.873 16.294 -8.659 9 HE1 MET 1 3HE MET 1 18.136 18.795 -8.567 10 HE2 MET 1 1HE MET 1 19.151 18.145 -7.282 11 HE3 MET 1 2HE MET 1 17.395 18.055 -7.146 12 H ALA 2 H ALA 2 16.592 12.774 -7.417 13 HA ALA 2 HA ALA 2 19.352 13.192 -6.951 14 HB1 ALA 2 3HB ALA 2 17.716 12.957 -5.124 15 HB2 ALA 2 1HB ALA 2 19.013 11.772 -4.955 16 HB3 ALA 2 2HB ALA 2 17.435 11.275 -5.572 17 H ASP 3 H ASP 3 21.091 11.997 -7.458 18 HA ASP 3 HA ASP 3 20.829 9.701 -9.236 19 HB2 ASP 3 2HB ASP 3 23.336 11.150 -8.271 20 HB3 ASP 3 1HB ASP 3 23.251 9.998 -9.605 21 H LYS 4 H LYS 4 20.501 9.718 -6.089 22 HA LYS 4 HA LYS 4 21.214 7.086 -5.579 23 HB2 LYS 4 2HB LYS 4 23.560 7.925 -5.414 24 HB3 LYS 4 1HB LYS 4 23.060 9.099 -4.200 25 HG2 LYS 4 2HG LYS 4 22.382 7.192 -2.698 26 HG3 LYS 4 1HG LYS 4 23.006 6.068 -3.905 27 HD2 LYS 4 2HD LYS 4 24.716 6.245 -2.271 28 HD3 LYS 4 1HD LYS 4 25.277 7.230 -3.621 29 HE2 LYS 4 2HE LYS 4 23.895 8.349 -1.153 30 HE3 LYS 4 1HE LYS 4 25.642 8.246 -1.342 31 HZ1 LYS 4 3HZ LYS 4 24.892 10.435 -1.881 32 HZ2 LYS 4 1HZ LYS 4 23.778 9.848 -3.005 33 HZ3 LYS 4 2HZ LYS 4 25.434 9.696 -3.300 34 H LEU 5 H LEU 5 19.332 6.749 -4.496 35 HA LEU 5 HA LEU 5 18.511 8.533 -2.323 36 HB2 LEU 5 2HB LEU 5 17.207 5.976 -3.341 37 HB3 LEU 5 1HB LEU 5 16.550 7.032 -2.092 38 HG LEU 5 HG LEU 5 16.873 7.692 -5.050 39 HD11 LEU 5 1HD1 LEU 5 14.956 6.253 -4.549 40 HD12 LEU 5 2HD1 LEU 5 14.433 7.860 -5.047 41 HD13 LEU 5 3HD1 LEU 5 14.384 7.409 -3.339 42 HD21 LEU 5 3HD2 LEU 5 17.390 9.699 -3.758 43 HD22 LEU 5 1HD2 LEU 5 15.907 9.508 -2.815 44 HD23 LEU 5 2HD2 LEU 5 15.822 9.869 -4.542 45 H LYS 6 H LYS 6 18.263 7.790 -0.200 46 HA LYS 6 HA LYS 6 19.741 5.343 0.604 47 HB2 LYS 6 2HB LYS 6 19.073 7.808 2.284 48 HB3 LYS 6 1HB LYS 6 20.031 6.427 2.800 49 HG2 LYS 6 2HG LYS 6 20.833 8.354 0.595 50 HG3 LYS 6 1HG LYS 6 21.370 8.473 2.272 51 HD2 LYS 6 2HD LYS 6 21.919 6.111 0.423 52 HD3 LYS 6 1HD LYS 6 23.062 7.405 0.787 53 HE2 LYS 6 2HE LYS 6 23.000 6.752 3.195 54 HE3 LYS 6 1HE LYS 6 21.910 5.425 2.787 55 HZ1 LYS 6 3HZ LYS 6 24.665 5.759 1.742 56 HZ2 LYS 6 1HZ LYS 6 23.623 4.474 1.407 57 HZ3 LYS 6 2HZ LYS 6 24.205 4.696 2.975 58 H PHE 7 H PHE 7 18.566 3.858 1.969 59 HA PHE 7 HA PHE 7 15.953 4.682 3.000 60 HB2 PHE 7 2HB PHE 7 14.927 2.548 2.272 61 HB3 PHE 7 1HB PHE 7 15.458 3.477 0.884 62 HD1 PHE 7 HD1 PHE 7 17.700 2.794 -0.248 63 HD2 PHE 7 HD2 PHE 7 15.634 0.277 2.544 64 HE1 PHE 7 HE1 PHE 7 18.934 0.833 -1.086 65 HE2 PHE 7 HE2 PHE 7 16.880 -1.670 1.695 66 HZ PHE 7 HZ PHE 7 18.528 -1.394 -0.113 67 H GLU 8 H GLU 8 15.735 3.985 5.064 68 HA GLU 8 HA GLU 8 17.422 1.797 6.108 69 HB2 GLU 8 2HB GLU 8 18.477 3.930 6.785 70 HB3 GLU 8 1HB GLU 8 16.938 4.529 7.407 71 HG2 GLU 8 2HG GLU 8 16.940 2.755 9.137 72 HG3 GLU 8 1HG GLU 8 18.467 2.138 8.505 73 H ILE 9 H ILE 9 16.112 0.313 7.109 74 HA ILE 9 HA ILE 9 13.257 0.889 7.247 75 HB ILE 9 HB ILE 9 14.775 -1.705 7.803 76 HG12 ILE 9 2HG1 ILE 9 13.180 -0.831 5.351 77 HG13 ILE 9 1HG1 ILE 9 14.937 -0.894 5.442 78 HG21 ILE 9 1HG2 ILE 9 11.778 -1.244 7.492 79 HG22 ILE 9 2HG2 ILE 9 12.602 -1.667 8.993 80 HG23 ILE 9 3HG2 ILE 9 12.562 -2.819 7.658 81 HD11 ILE 9 3HD1 ILE 9 13.070 -3.256 5.634 82 HD12 ILE 9 1HD1 ILE 9 14.834 -3.316 5.739 83 HD13 ILE 9 2HD1 ILE 9 14.054 -2.788 4.252 84 H ILE 10 H ILE 10 12.487 1.743 8.984 85 HA ILE 10 HA ILE 10 14.002 1.959 11.455 86 HB ILE 10 HB ILE 10 11.331 3.190 10.615 87 HG12 ILE 10 2HG1 ILE 10 13.187 4.027 9.238 88 HG13 ILE 10 1HG1 ILE 10 12.638 5.296 10.324 89 HG21 ILE 10 1HG2 ILE 10 11.592 4.744 12.532 90 HG22 ILE 10 2HG2 ILE 10 13.022 3.854 13.062 91 HG23 ILE 10 3HG2 ILE 10 11.440 3.070 13.068 92 HD11 ILE 10 3HD1 ILE 10 15.031 5.298 10.153 93 HD12 ILE 10 1HD1 ILE 10 15.122 3.613 10.651 94 HD13 ILE 10 2HD1 ILE 10 14.570 4.846 11.793 95 H GLU 11 H GLU 11 11.018 0.476 10.235 96 HA GLU 11 HA GLU 11 10.714 -1.180 12.605 97 HB2 GLU 11 2HB GLU 11 9.724 1.063 13.229 98 HB3 GLU 11 1HB GLU 11 8.581 0.897 11.902 99 HG2 GLU 11 2HG GLU 11 7.609 -1.090 12.984 100 HG3 GLU 11 1HG GLU 11 8.775 -0.951 14.298 101 H GLU 12 H GLU 12 9.296 -2.921 12.232 102 HA GLU 12 HA GLU 12 7.928 -3.096 9.605 103 HB2 GLU 12 2HB GLU 12 8.631 -5.348 11.555 104 HB3 GLU 12 1HB GLU 12 7.716 -5.555 10.068 105 HG2 GLU 12 2HG GLU 12 9.849 -6.254 9.439 106 HG3 GLU 12 1HG GLU 12 9.815 -4.589 8.873 107 H LEU 13 H LEU 13 5.760 -3.113 9.576 108 HA LEU 13 HA LEU 13 4.343 -2.675 12.155 109 HB2 LEU 13 2HB LEU 13 3.424 -2.073 9.317 110 HB3 LEU 13 1HB LEU 13 2.527 -1.694 10.782 111 HG LEU 13 HG LEU 13 5.185 -0.464 9.947 112 HD11 LEU 13 1HD1 LEU 13 3.891 1.619 9.769 113 HD12 LEU 13 2HD1 LEU 13 2.400 0.721 10.067 114 HD13 LEU 13 3HD1 LEU 13 3.361 0.398 8.619 115 HD21 LEU 13 3HD2 LEU 13 5.110 -0.673 12.375 116 HD22 LEU 13 1HD2 LEU 13 3.510 0.073 12.422 117 HD23 LEU 13 2HD2 LEU 13 4.912 1.010 11.903 118 H ILE 14 H ILE 14 3.714 -4.289 9.032 119 HA ILE 14 HA ILE 14 2.280 -6.524 10.341 120 HB ILE 14 HB ILE 14 1.025 -4.941 8.029 121 HG12 ILE 14 2HG1 ILE 14 0.112 -4.892 10.944 122 HG13 ILE 14 1HG1 ILE 14 0.961 -3.578 10.139 123 HG21 ILE 14 1HG2 ILE 14 -0.120 -7.173 9.753 124 HG22 ILE 14 2HG2 ILE 14 0.419 -7.326 8.079 125 HG23 ILE 14 3HG2 ILE 14 -0.978 -6.322 8.463 126 HD11 ILE 14 3HD1 ILE 14 -1.420 -3.156 10.292 127 HD12 ILE 14 1HD1 ILE 14 -1.767 -4.622 9.377 128 HD13 ILE 14 2HD1 ILE 14 -0.907 -3.282 8.611 129 H VAL 15 H VAL 15 2.919 -8.428 9.311 130 HA VAL 15 HA VAL 15 3.977 -8.324 6.555 131 HB VAL 15 HB VAL 15 3.780 -10.701 8.468 132 HG11 VAL 15 1HG1 VAL 15 5.214 -10.503 5.785 133 HG12 VAL 15 2HG1 VAL 15 3.760 -11.448 6.113 134 HG13 VAL 15 3HG1 VAL 15 5.284 -11.882 6.888 135 HG21 VAL 15 3HG2 VAL 15 5.375 -9.014 9.283 136 HG22 VAL 15 1HG2 VAL 15 6.196 -9.009 7.719 137 HG23 VAL 15 2HG2 VAL 15 6.233 -10.456 8.732 138 H LEU 16 H LEU 16 2.659 -8.718 4.856 139 HA LEU 16 HA LEU 16 -0.157 -9.399 5.413 140 HB2 LEU 16 2HB LEU 16 1.145 -8.203 2.934 141 HB3 LEU 16 1HB LEU 16 -0.584 -8.421 3.172 142 HG LEU 16 HG LEU 16 1.175 -6.615 4.889 143 HD11 LEU 16 1HD1 LEU 16 -0.780 -5.835 2.709 144 HD12 LEU 16 2HD1 LEU 16 0.979 -5.699 2.633 145 HD13 LEU 16 3HD1 LEU 16 0.074 -4.730 3.791 146 HD21 LEU 16 3HD2 LEU 16 -1.839 -6.965 4.843 147 HD22 LEU 16 1HD2 LEU 16 -0.939 -5.789 5.808 148 HD23 LEU 16 2HD2 LEU 16 -0.742 -7.509 6.116 149 H SER 17 H SER 17 2.670 -10.619 3.697 150 HA SER 17 HA SER 17 1.691 -13.208 3.309 151 HB2 SER 17 2HB SER 17 0.255 -12.146 1.548 152 HB3 SER 17 1HB SER 17 1.703 -11.602 0.708 153 HG SER 17 HG SER 17 0.488 -14.034 0.703 154 H GLU 18 H GLU 18 3.185 -14.544 2.074 155 HA GLU 18 HA GLU 18 5.968 -13.543 1.916 156 HB2 GLU 18 2HB GLU 18 5.701 -14.246 4.224 157 HB3 GLU 18 1HB GLU 18 4.950 -15.766 3.744 158 HG2 GLU 18 2HG GLU 18 7.069 -16.577 2.833 159 HG3 GLU 18 1HG GLU 18 7.832 -15.014 3.128 160 H ASN 19 H ASN 19 7.255 -14.682 0.449 161 HA ASN 19 HA ASN 19 5.640 -16.319 -1.468 162 HB2 ASN 19 2HB ASN 19 6.963 -14.203 -2.146 163 HB3 ASN 19 1HB ASN 19 8.428 -15.143 -1.932 164 HD21 ASN 19 1HD2 ASN 19 7.390 -13.784 -4.292 165 HD22 ASN 19 2HD2 ASN 19 7.232 -14.991 -5.524 166 H ALA 20 H ALA 20 6.649 -18.268 -2.464 167 HA ALA 20 HA ALA 20 7.980 -20.093 -0.800 168 HB1 ALA 20 3HB ALA 20 8.353 -21.421 -2.843 169 HB2 ALA 20 1HB ALA 20 7.944 -20.022 -3.841 170 HB3 ALA 20 2HB ALA 20 6.717 -20.760 -2.808 171 H LYS 21 H LYS 21 9.204 -17.753 -3.123 172 HA LYS 21 HA LYS 21 12.010 -18.297 -2.853 173 HB2 LYS 21 2HB LYS 21 10.799 -15.580 -3.539 174 HB3 LYS 21 1HB LYS 21 12.361 -16.218 -4.041 175 HG2 LYS 21 2HG LYS 21 9.640 -17.166 -4.974 176 HG3 LYS 21 1HG LYS 21 10.773 -16.178 -5.899 177 HD2 LYS 21 2HD LYS 21 12.384 -18.076 -5.938 178 HD3 LYS 21 1HD LYS 21 11.253 -19.057 -4.999 179 HE2 LYS 21 2HE LYS 21 9.609 -18.920 -6.842 180 HE3 LYS 21 1HE LYS 21 10.732 -17.923 -7.771 181 HZ1 LYS 21 3HZ LYS 21 11.144 -20.742 -6.943 182 HZ2 LYS 21 1HZ LYS 21 12.299 -19.796 -7.738 183 HZ3 LYS 21 2HZ LYS 21 10.848 -20.178 -8.511 184 H GLY 22 H GLY 22 9.684 -16.746 -0.911 185 HA2 GLY 22 2HA GLY 22 10.127 -16.433 1.442 186 HA3 GLY 22 1HA GLY 22 11.635 -15.638 1.008 187 H TRP 23 H TRP 23 10.294 -14.326 -1.316 188 HA TRP 23 HA TRP 23 10.377 -11.789 -0.337 189 HB2 TRP 23 2HB TRP 23 9.002 -12.874 -2.808 190 HB3 TRP 23 1HB TRP 23 8.970 -11.153 -2.440 191 HD1 TRP 23 HD1 TRP 23 11.785 -13.853 -2.703 192 HE1 TRP 23 HE1 TRP 23 13.749 -12.806 -3.965 193 HE3 TRP 23 HE3 TRP 23 9.872 -9.153 -3.423 194 HZ2 TRP 23 HZ2 TRP 23 14.421 -10.312 -5.124 195 HZ3 TRP 23 HZ3 TRP 23 11.240 -7.492 -4.630 196 HH2 TRP 23 HH2 TRP 23 13.470 -8.067 -5.460 197 H ARG 24 H ARG 24 9.205 -10.667 1.058 198 HA ARG 24 HA ARG 24 6.473 -11.537 1.704 199 HB2 ARG 24 2HB ARG 24 8.534 -9.929 3.280 200 HB3 ARG 24 1HB ARG 24 6.873 -10.181 3.816 201 HG2 ARG 24 2HG ARG 24 7.277 -12.625 3.897 202 HG3 ARG 24 1HG ARG 24 8.956 -12.356 3.399 203 HD2 ARG 24 2HD ARG 24 9.403 -11.078 5.421 204 HD3 ARG 24 1HD ARG 24 7.700 -11.144 5.892 205 HE ARG 24 HE ARG 24 8.877 -13.739 5.573 206 HH11 ARG 24 1HH1 ARG 24 8.572 -11.063 7.833 207 HH12 ARG 24 2HH1 ARG 24 8.821 -12.058 9.233 208 HH21 ARG 24 1HH2 ARG 24 9.136 -15.040 7.413 209 HH22 ARG 24 2HH2 ARG 24 9.142 -14.310 8.991 210 H LYS 25 H LYS 25 4.880 -10.260 0.877 211 HA LYS 25 HA LYS 25 5.454 -7.399 0.446 212 HB2 LYS 25 2HB LYS 25 3.058 -7.240 -0.308 213 HB3 LYS 25 1HB LYS 25 4.121 -8.205 -1.314 214 HG2 LYS 25 2HG LYS 25 3.140 -10.252 -0.475 215 HG3 LYS 25 1HG LYS 25 2.141 -9.344 0.668 216 HD2 LYS 25 2HD LYS 25 0.689 -8.556 -0.995 217 HD3 LYS 25 1HD LYS 25 1.921 -8.622 -2.258 218 HE2 LYS 25 2HE LYS 25 0.580 -11.042 -1.032 219 HE3 LYS 25 1HE LYS 25 0.125 -10.297 -2.563 220 HZ1 LYS 25 3HZ LYS 25 2.344 -10.798 -3.413 221 HZ2 LYS 25 1HZ LYS 25 1.537 -12.200 -2.915 222 HZ3 LYS 25 2HZ LYS 25 2.753 -11.538 -1.947 223 H GLU 26 H GLU 26 5.444 -6.198 2.127 224 HA GLU 26 HA GLU 26 3.472 -6.566 4.292 225 HB2 GLU 26 2HB GLU 26 5.321 -6.274 5.959 226 HB3 GLU 26 1HB GLU 26 5.452 -7.758 5.020 227 HG2 GLU 26 2HG GLU 26 7.184 -6.706 3.600 228 HG3 GLU 26 1HG GLU 26 7.049 -5.222 4.546 229 H LEU 27 H LEU 27 3.515 -4.815 5.814 230 HA LEU 27 HA LEU 27 3.993 -2.138 4.699 231 HB2 LEU 27 2HB LEU 27 1.643 -2.656 5.249 232 HB3 LEU 27 1HB LEU 27 2.104 -3.166 6.863 233 HG LEU 27 HG LEU 27 2.787 -0.784 7.371 234 HD11 LEU 27 1HD1 LEU 27 3.237 0.021 5.116 235 HD12 LEU 27 2HD1 LEU 27 2.027 1.038 5.901 236 HD13 LEU 27 3HD1 LEU 27 1.534 -0.149 4.688 237 HD21 LEU 27 3HD2 LEU 27 0.516 0.059 7.659 238 HD22 LEU 27 1HD2 LEU 27 0.600 -1.656 8.052 239 HD23 LEU 27 2HD2 LEU 27 -0.094 -1.137 6.512 240 H ASN 28 H ASN 28 5.784 -1.285 5.500 241 HA ASN 28 HA ASN 28 6.621 -1.621 8.315 242 HB2 ASN 28 2HB ASN 28 9.023 -1.843 7.414 243 HB3 ASN 28 1HB ASN 28 7.986 -3.241 7.147 244 HD21 ASN 28 1HD2 ASN 28 9.569 -0.530 5.602 245 HD22 ASN 28 2HD2 ASN 28 9.380 -1.080 3.976 246 H ARG 29 H ARG 29 8.151 0.111 8.979 247 HA ARG 29 HA ARG 29 7.633 2.653 7.591 248 HB2 ARG 29 2HB ARG 29 8.628 2.109 10.427 249 HB3 ARG 29 1HB ARG 29 8.440 3.714 9.720 250 HG2 ARG 29 2HG ARG 29 6.017 3.343 9.478 251 HG3 ARG 29 1HG ARG 29 6.188 1.725 10.166 252 HD2 ARG 29 2HD ARG 29 5.371 3.289 11.862 253 HD3 ARG 29 1HD ARG 29 6.989 2.719 12.286 254 HE ARG 29 HE ARG 29 6.651 5.305 10.899 255 HH11 ARG 29 1HH1 ARG 29 7.633 3.581 13.819 256 HH12 ARG 29 2HH1 ARG 29 8.418 4.973 14.497 257 HH21 ARG 29 1HH2 ARG 29 7.716 7.074 11.794 258 HH22 ARG 29 2HH2 ARG 29 8.466 6.940 13.354 259 H VAL 30 H VAL 30 9.205 3.627 6.544 260 HA VAL 30 HA VAL 30 12.047 2.877 6.931 261 HB VAL 30 HB VAL 30 10.673 3.456 4.249 262 HG11 VAL 30 1HG1 VAL 30 13.583 2.738 4.791 263 HG12 VAL 30 2HG1 VAL 30 12.988 4.310 4.250 264 HG13 VAL 30 3HG1 VAL 30 12.844 2.904 3.194 265 HG21 VAL 30 3HG2 VAL 30 11.186 1.109 3.671 266 HG22 VAL 30 1HG2 VAL 30 10.122 1.204 5.075 267 HG23 VAL 30 2HG2 VAL 30 11.838 0.847 5.292 268 H SER 31 H SER 31 13.468 4.537 6.875 269 HA SER 31 HA SER 31 12.563 7.338 6.688 270 HB2 SER 31 2HB SER 31 13.845 6.880 8.744 271 HB3 SER 31 1HB SER 31 15.127 6.096 7.819 272 HG SER 31 HG SER 31 15.704 8.212 8.331 273 H TRP 32 H TRP 32 12.974 8.276 4.689 274 HA TRP 32 HA TRP 32 14.866 6.917 2.863 275 HB2 TRP 32 2HB TRP 32 12.491 8.740 2.280 276 HB3 TRP 32 1HB TRP 32 13.617 8.161 1.061 277 HD1 TRP 32 HD1 TRP 32 10.627 7.020 3.148 278 HE1 TRP 32 HE1 TRP 32 9.715 4.839 2.121 279 HE3 TRP 32 HE3 TRP 32 14.449 5.962 -0.088 280 HZ2 TRP 32 HZ2 TRP 32 10.547 2.868 0.307 281 HZ3 TRP 32 HZ3 TRP 32 14.317 3.896 -1.431 282 HH2 TRP 32 HH2 TRP 32 12.403 2.380 -1.236 283 H ASN 33 H ASN 33 16.695 7.911 2.606 284 HA ASN 33 HA ASN 33 18.382 9.450 2.386 285 HB2 ASN 33 2HB ASN 33 16.030 11.129 1.437 286 HB3 ASN 33 1HB ASN 33 17.711 11.637 1.263 287 HD21 ASN 33 1HD2 ASN 33 15.312 9.267 0.268 288 HD22 ASN 33 2HD2 ASN 33 16.127 8.773 -1.169 289 H ASP 34 H ASP 34 17.473 9.137 4.969 290 HA ASP 34 HA ASP 34 17.780 9.895 7.065 291 HB2 ASP 34 2HB ASP 34 18.980 12.416 5.831 292 HB3 ASP 34 1HB ASP 34 19.153 11.913 7.507 293 H ALA 35 H ALA 35 15.306 10.686 5.444 294 HA ALA 35 HA ALA 35 14.476 13.215 6.721 295 HB1 ALA 35 3HB ALA 35 14.019 12.975 4.311 296 HB2 ALA 35 1HB ALA 35 12.515 13.103 5.226 297 HB3 ALA 35 2HB ALA 35 13.055 11.532 4.618 298 H GLU 36 H GLU 36 12.126 13.168 7.479 299 HA GLU 36 HA GLU 36 11.868 11.610 9.770 300 HB2 GLU 36 2HB GLU 36 9.750 13.126 8.210 301 HB3 GLU 36 1HB GLU 36 9.372 12.289 9.713 302 HG2 GLU 36 2HG GLU 36 11.350 14.567 9.371 303 HG3 GLU 36 1HG GLU 36 9.766 14.658 10.141 304 HA PRO 37 HA PRO 37 10.886 7.553 8.231 305 HB2 PRO 37 2HB PRO 37 9.506 7.156 10.889 306 HB3 PRO 37 1HB PRO 37 10.798 6.197 10.129 307 HG2 PRO 37 2HG PRO 37 11.374 7.805 12.160 308 HG3 PRO 37 1HG PRO 37 12.482 7.682 10.773 309 HD2 PRO 37 2HD PRO 37 10.475 9.857 11.390 310 HD3 PRO 37 1HD PRO 37 12.149 10.001 10.805 311 H LYS 38 H LYS 38 9.216 6.728 7.092 312 HA LYS 38 HA LYS 38 6.495 7.746 7.507 313 HB2 LYS 38 2HB LYS 38 6.216 8.121 5.102 314 HB3 LYS 38 1HB LYS 38 7.521 9.132 5.712 315 HG2 LYS 38 2HG LYS 38 9.189 7.593 4.750 316 HG3 LYS 38 1HG LYS 38 7.896 6.523 4.194 317 HD2 LYS 38 2HD LYS 38 8.697 7.909 2.334 318 HD3 LYS 38 1HD LYS 38 7.028 8.326 2.727 319 HE2 LYS 38 2HE LYS 38 7.873 10.302 4.011 320 HE3 LYS 38 1HE LYS 38 9.514 9.889 3.515 321 HZ1 LYS 38 3HZ LYS 38 8.553 11.600 2.112 322 HZ2 LYS 38 1HZ LYS 38 7.278 10.575 1.681 323 HZ3 LYS 38 2HZ LYS 38 8.856 10.201 1.210 324 H TYR 39 H TYR 39 5.021 6.422 6.104 325 HA TYR 39 HA TYR 39 5.554 3.646 6.711 326 HB2 TYR 39 2HB TYR 39 3.060 5.008 5.588 327 HB3 TYR 39 1HB TYR 39 3.152 3.372 6.259 328 HD1 TYR 39 HD1 TYR 39 3.129 6.978 7.111 329 HD2 TYR 39 HD2 TYR 39 3.472 3.033 8.702 330 HE1 TYR 39 HE1 TYR 39 2.870 7.862 9.383 331 HE2 TYR 39 HE2 TYR 39 3.195 3.927 10.979 332 HH TYR 39 HH TYR 39 2.227 7.166 11.576 333 H ASP 40 H ASP 40 5.771 2.075 5.275 334 HA ASP 40 HA ASP 40 5.735 2.596 2.354 335 HB2 ASP 40 2HB ASP 40 8.076 2.741 3.191 336 HB3 ASP 40 1HB ASP 40 7.925 1.161 3.955 337 H ILE 41 H ILE 41 4.969 0.918 1.145 338 HA ILE 41 HA ILE 41 4.467 -1.689 2.398 339 HB ILE 41 HB ILE 41 2.352 -0.577 2.806 340 HG12 ILE 41 2HG1 ILE 41 2.057 -2.470 0.429 341 HG13 ILE 41 1HG1 ILE 41 2.237 -2.956 2.109 342 HG21 ILE 41 1HG2 ILE 41 2.193 0.121 -0.134 343 HG22 ILE 41 2HG2 ILE 41 2.490 1.253 1.185 344 HG23 ILE 41 3HG2 ILE 41 0.936 0.421 1.069 345 HD11 ILE 41 3HD1 ILE 41 0.078 -1.889 2.626 346 HD12 ILE 41 1HD1 ILE 41 -0.053 -3.161 1.413 347 HD13 ILE 41 2HD1 ILE 41 -0.105 -1.470 0.918 348 H ARG 42 H ARG 42 5.206 -3.132 1.144 349 HA ARG 42 HA ARG 42 5.077 -3.269 -1.689 350 HB2 ARG 42 2HB ARG 42 7.256 -2.701 -2.470 351 HB3 ARG 42 1HB ARG 42 6.745 -1.356 -1.463 352 HG2 ARG 42 2HG ARG 42 8.181 -2.173 0.367 353 HG3 ARG 42 1HG ARG 42 8.678 -3.538 -0.642 354 HD2 ARG 42 2HD ARG 42 10.377 -1.772 -0.703 355 HD3 ARG 42 1HD ARG 42 9.637 -1.976 -2.296 356 HE ARG 42 HE ARG 42 8.792 0.138 -0.412 357 HH11 ARG 42 1HH1 ARG 42 9.821 -0.729 -3.670 358 HH12 ARG 42 2HH1 ARG 42 9.570 0.869 -4.288 359 HH21 ARG 42 1HH2 ARG 42 8.455 2.189 -1.222 360 HH22 ARG 42 2HH2 ARG 42 8.792 2.538 -2.891 361 H THR 43 H THR 43 6.997 -4.879 -2.528 362 HA THR 43 HA THR 43 6.917 -7.139 -0.676 363 HB THR 43 HB THR 43 7.641 -7.187 -3.643 364 HG1 THR 43 HG1 THR 43 5.237 -6.657 -2.591 365 HG21 THR 43 3HG2 THR 43 8.286 -9.184 -2.320 366 HG22 THR 43 1HG2 THR 43 6.993 -9.572 -3.460 367 HG23 THR 43 2HG2 THR 43 6.623 -9.348 -1.747 368 H TRP 44 H TRP 44 8.741 -7.546 0.313 369 HA TRP 44 HA TRP 44 11.361 -6.565 -0.638 370 HB2 TRP 44 2HB TRP 44 10.377 -7.195 2.198 371 HB3 TRP 44 1HB TRP 44 12.040 -6.807 1.795 372 HD1 TRP 44 HD1 TRP 44 8.596 -5.140 2.238 373 HE1 TRP 44 HE1 TRP 44 8.990 -2.614 2.626 374 HE3 TRP 44 HE3 TRP 44 13.609 -4.898 1.218 375 HZ2 TRP 44 HZ2 TRP 44 11.094 -0.772 2.463 376 HZ3 TRP 44 HZ3 TRP 44 14.742 -2.713 1.363 377 HH2 TRP 44 HH2 TRP 44 13.507 -0.688 1.974 378 H SER 45 H SER 45 13.122 -8.058 0.118 379 HA SER 45 HA SER 45 12.520 -10.909 -0.007 380 HB2 SER 45 2HB SER 45 15.055 -9.344 0.614 381 HB3 SER 45 1HB SER 45 14.991 -11.108 0.591 382 HG SER 45 HG SER 45 13.871 -10.075 -1.643 383 HA PRO 46 HA PRO 46 11.732 -11.528 4.379 384 HB2 PRO 46 2HB PRO 46 13.047 -13.873 5.006 385 HB3 PRO 46 1HB PRO 46 11.567 -13.823 4.022 386 HG2 PRO 46 2HG PRO 46 14.428 -13.982 3.088 387 HG3 PRO 46 1HG PRO 46 13.020 -14.934 2.559 388 HD2 PRO 46 2HD PRO 46 13.890 -12.838 1.105 389 HD3 PRO 46 1HD PRO 46 12.152 -13.187 1.252 390 H ASP 47 H ASP 47 15.092 -11.496 3.346 391 HA ASP 47 HA ASP 47 16.083 -10.654 5.979 392 HB2 ASP 47 2HB ASP 47 17.513 -10.993 3.301 393 HB3 ASP 47 1HB ASP 47 18.312 -10.495 4.793 394 H HIS 48 H HIS 48 14.441 -9.150 3.535 395 HA HIS 48 HA HIS 48 14.039 -7.084 2.821 396 HB2 HIS 48 2HB HIS 48 15.562 -6.316 5.330 397 HB3 HIS 48 1HB HIS 48 14.777 -5.129 4.298 398 HD1 HIS 48 HD1 HIS 48 14.166 -6.840 7.318 399 HD2 HIS 48 HD2 HIS 48 11.838 -5.947 4.006 400 HE1 HIS 48 HE1 HIS 48 11.793 -6.868 8.139 401 HE2 HIS 48 HE2 HIS 48 10.405 -6.281 6.117 402 H GLU 49 H GLU 49 16.677 -8.477 2.091 403 HA GLU 49 HA GLU 49 18.664 -6.488 1.619 404 HB2 GLU 49 2HB GLU 49 19.727 -8.246 0.176 405 HB3 GLU 49 1HB GLU 49 19.319 -8.829 1.786 406 HG2 GLU 49 2HG GLU 49 17.371 -10.001 0.943 407 HG3 GLU 49 1HG GLU 49 17.584 -9.294 -0.655 408 H LYS 50 H LYS 50 15.875 -7.611 -0.154 409 HA LYS 50 HA LYS 50 16.504 -5.839 -2.438 410 HB2 LYS 50 2HB LYS 50 14.874 -8.416 -2.482 411 HB3 LYS 50 1HB LYS 50 15.199 -7.383 -3.861 412 HG2 LYS 50 2HG LYS 50 17.600 -8.531 -2.475 413 HG3 LYS 50 1HG LYS 50 16.564 -9.672 -3.330 414 HD2 LYS 50 2HD LYS 50 18.310 -8.988 -4.840 415 HD3 LYS 50 1HD LYS 50 16.801 -8.264 -5.398 416 HE2 LYS 50 2HE LYS 50 17.476 -6.110 -4.369 417 HE3 LYS 50 1HE LYS 50 18.992 -6.846 -3.841 418 HZ1 LYS 50 3HZ LYS 50 19.557 -7.245 -6.154 419 HZ2 LYS 50 1HZ LYS 50 19.282 -5.599 -5.881 420 HZ3 LYS 50 2HZ LYS 50 18.112 -6.537 -6.659 421 H MET 51 H MET 51 14.811 -4.603 -3.173 422 HA MET 51 HA MET 51 12.212 -4.658 -1.729 423 HB2 MET 51 2HB MET 51 12.108 -2.189 -2.074 424 HB3 MET 51 1HB MET 51 13.455 -2.662 -1.053 425 HG2 MET 51 2HG MET 51 14.990 -2.391 -2.966 426 HG3 MET 51 1HG MET 51 13.632 -1.874 -3.969 427 HE1 MET 51 3HE MET 51 15.104 0.332 -4.564 428 HE2 MET 51 1HE MET 51 16.388 -0.215 -3.484 429 HE3 MET 51 2HE MET 51 15.739 1.417 -3.329 430 H GLY 52 H GLY 52 10.412 -3.784 -3.087 431 HA2 GLY 52 2HA GLY 52 10.816 -3.690 -5.975 432 HA3 GLY 52 1HA GLY 52 9.951 -5.105 -5.380 433 H LYS 53 H LYS 53 8.073 -4.608 -6.400 434 HA LYS 53 HA LYS 53 6.963 -2.117 -6.898 435 HB2 LYS 53 2HB LYS 53 5.447 -4.752 -6.668 436 HB3 LYS 53 1HB LYS 53 4.948 -3.334 -7.587 437 HG2 LYS 53 2HG LYS 53 7.372 -5.068 -8.171 438 HG3 LYS 53 1HG LYS 53 5.841 -5.115 -9.044 439 HD2 LYS 53 2HD LYS 53 7.736 -2.725 -8.926 440 HD3 LYS 53 1HD LYS 53 7.598 -3.856 -10.274 441 HE2 LYS 53 2HE LYS 53 5.239 -3.163 -10.602 442 HE3 LYS 53 1HE LYS 53 5.399 -2.014 -9.269 443 HZ1 LYS 53 3HZ LYS 53 5.667 -1.000 -11.471 444 HZ2 LYS 53 1HZ LYS 53 7.030 -1.958 -11.749 445 HZ3 LYS 53 2HZ LYS 53 7.041 -0.809 -10.509 446 H GLY 54 H GLY 54 6.016 -0.644 -5.558 447 HA2 GLY 54 2HA GLY 54 3.925 -1.072 -3.838 448 HA3 GLY 54 1HA GLY 54 5.383 -1.166 -2.860 449 H ILE 55 H ILE 55 4.261 0.753 -1.876 450 HA ILE 55 HA ILE 55 4.910 3.278 -3.225 451 HB ILE 55 HB ILE 55 2.614 2.828 -3.970 452 HG12 ILE 55 2HG1 ILE 55 2.721 5.024 -1.852 453 HG13 ILE 55 1HG1 ILE 55 3.129 5.184 -3.554 454 HG21 ILE 55 1HG2 ILE 55 1.908 1.270 -2.212 455 HG22 ILE 55 2HG2 ILE 55 0.716 2.552 -2.431 456 HG23 ILE 55 3HG2 ILE 55 1.816 2.604 -1.053 457 HD11 ILE 55 3HD1 ILE 55 0.996 6.192 -3.054 458 HD12 ILE 55 1HD1 ILE 55 0.377 4.662 -2.436 459 HD13 ILE 55 2HD1 ILE 55 0.792 4.825 -4.145 460 H THR 56 H THR 56 5.058 5.036 -1.838 461 HA THR 56 HA THR 56 5.374 4.477 1.048 462 HB THR 56 HB THR 56 6.648 6.686 1.057 463 HG1 THR 56 HG1 THR 56 5.594 7.315 -1.044 464 HG21 THR 56 3HG2 THR 56 8.689 5.800 0.005 465 HG22 THR 56 1HG2 THR 56 7.743 4.566 -0.831 466 HG23 THR 56 2HG2 THR 56 7.872 4.539 0.931 467 H LEU 57 H LEU 57 4.385 5.748 2.548 468 HA LEU 57 HA LEU 57 2.313 7.680 1.789 469 HB2 LEU 57 2HB LEU 57 2.112 5.495 3.928 470 HB3 LEU 57 1HB LEU 57 0.893 6.716 3.597 471 HG LEU 57 HG LEU 57 1.701 4.470 1.697 472 HD11 LEU 57 1HD1 LEU 57 -0.525 3.530 2.167 473 HD12 LEU 57 2HD1 LEU 57 -0.812 4.785 3.377 474 HD13 LEU 57 3HD1 LEU 57 0.476 3.597 3.616 475 HD21 LEU 57 3HD2 LEU 57 -0.235 5.192 0.337 476 HD22 LEU 57 1HD2 LEU 57 1.008 6.438 0.441 477 HD23 LEU 57 2HD2 LEU 57 -0.464 6.580 1.408 478 H SER 58 H SER 58 2.458 9.489 3.007 479 HA SER 58 HA SER 58 4.423 9.819 5.120 480 HB2 SER 58 2HB SER 58 2.269 11.744 4.129 481 HB3 SER 58 1HB SER 58 3.633 12.156 5.176 482 HG SER 58 HG SER 58 5.015 11.511 3.452 483 H GLU 59 H GLU 59 3.612 10.903 7.265 484 HA GLU 59 HA GLU 59 1.898 9.177 8.652 485 HB2 GLU 59 2HB GLU 59 2.698 12.023 9.398 486 HB3 GLU 59 1HB GLU 59 2.094 10.788 10.505 487 HG2 GLU 59 2HG GLU 59 4.103 9.376 9.893 488 HG3 GLU 59 1HG GLU 59 4.724 10.757 8.993 489 H GLU 60 H GLU 60 1.295 12.303 7.127 490 HA GLU 60 HA GLU 60 -1.380 12.760 7.742 491 HB2 GLU 60 2HB GLU 60 0.142 13.324 5.160 492 HB3 GLU 60 1HB GLU 60 -1.424 14.030 5.560 493 HG2 GLU 60 2HG GLU 60 -0.516 15.316 7.348 494 HG3 GLU 60 1HG GLU 60 0.990 14.398 7.354 495 H GLU 61 H GLU 61 -0.026 10.825 5.063 496 HA GLU 61 HA GLU 61 -2.482 10.256 3.755 497 HB2 GLU 61 2HB GLU 61 0.027 8.533 3.599 498 HB3 GLU 61 1HB GLU 61 -1.206 8.758 2.356 499 HG2 GLU 61 2HG GLU 61 0.901 10.720 3.280 500 HG3 GLU 61 1HG GLU 61 0.758 9.962 1.695 501 H PHE 62 H PHE 62 -0.390 8.329 5.843 502 HA PHE 62 HA PHE 62 -1.944 5.986 5.887 503 HB2 PHE 62 2HB PHE 62 0.512 6.157 6.381 504 HB3 PHE 62 1HB PHE 62 0.119 6.916 7.918 505 HD1 PHE 62 HD2 PHE 62 -0.539 3.804 5.932 506 HD2 PHE 62 HD1 PHE 62 -0.140 5.537 9.827 507 HE1 PHE 62 HE2 PHE 62 -0.672 1.570 6.951 508 HE2 PHE 62 HE1 PHE 62 -0.270 3.301 10.828 509 HZ PHE 62 HZ PHE 62 -0.535 1.322 9.400 510 H GLY 63 H GLY 63 -1.781 8.818 8.138 511 HA2 GLY 63 2HA GLY 63 -3.536 7.905 10.087 512 HA3 GLY 63 1HA GLY 63 -3.273 9.583 9.648 513 H VAL 64 H VAL 64 -4.277 9.814 7.131 514 HA VAL 64 HA VAL 64 -7.068 9.896 7.348 515 HB VAL 64 HB VAL 64 -5.248 9.907 4.906 516 HG11 VAL 64 1HG1 VAL 64 -7.143 10.707 3.534 517 HG12 VAL 64 2HG1 VAL 64 -8.238 10.433 4.893 518 HG13 VAL 64 3HG1 VAL 64 -7.419 9.070 4.123 519 HG21 VAL 64 3HG2 VAL 64 -5.761 12.323 4.813 520 HG22 VAL 64 1HG2 VAL 64 -5.043 11.878 6.365 521 HG23 VAL 64 2HG2 VAL 64 -6.781 12.160 6.244 522 H LEU 65 H LEU 65 -4.919 7.395 5.960 523 HA LEU 65 HA LEU 65 -6.816 5.700 4.802 524 HB2 LEU 65 2HB LEU 65 -4.307 5.595 4.506 525 HB3 LEU 65 1HB LEU 65 -4.189 4.902 6.113 526 HG LEU 65 HG LEU 65 -5.652 2.957 5.262 527 HD11 LEU 65 1HD1 LEU 65 -5.023 4.168 2.557 528 HD12 LEU 65 2HD1 LEU 65 -6.618 4.046 3.307 529 HD13 LEU 65 3HD1 LEU 65 -5.750 2.584 2.850 530 HD21 LEU 65 3HD2 LEU 65 -2.942 3.350 3.955 531 HD22 LEU 65 1HD2 LEU 65 -3.777 1.809 4.188 532 HD23 LEU 65 2HD2 LEU 65 -3.230 2.734 5.585 533 H LEU 66 H LEU 66 -5.349 5.623 8.099 534 HA LEU 66 HA LEU 66 -6.619 3.335 9.109 535 HB2 LEU 66 2HB LEU 66 -5.623 5.816 10.573 536 HB3 LEU 66 1HB LEU 66 -6.046 4.298 11.359 537 HG LEU 66 HG LEU 66 -3.804 4.636 9.333 538 HD11 LEU 66 1HD1 LEU 66 -3.637 4.337 12.338 539 HD12 LEU 66 2HD1 LEU 66 -3.290 5.800 11.412 540 HD13 LEU 66 3HD1 LEU 66 -2.279 4.373 11.211 541 HD21 LEU 66 3HD2 LEU 66 -4.568 2.238 11.024 542 HD22 LEU 66 1HD2 LEU 66 -3.135 2.374 9.996 543 HD23 LEU 66 2HD2 LEU 66 -4.739 2.385 9.273 544 H LYS 67 H LYS 67 -7.519 6.772 9.289 545 HA LYS 67 HA LYS 67 -9.765 6.612 10.965 546 HB2 LYS 67 2HB LYS 67 -9.017 8.548 8.746 547 HB3 LYS 67 1HB LYS 67 -10.406 8.803 9.799 548 HG2 LYS 67 2HG LYS 67 -9.031 9.101 11.725 549 HG3 LYS 67 1HG LYS 67 -7.594 8.487 10.897 550 HD2 LYS 67 2HD LYS 67 -7.701 11.026 11.181 551 HD3 LYS 67 1HD LYS 67 -7.417 10.457 9.536 552 HE2 LYS 67 2HE LYS 67 -9.736 10.881 8.932 553 HE3 LYS 67 1HE LYS 67 -10.142 11.300 10.600 554 HZ1 LYS 67 3HZ LYS 67 -9.867 13.274 9.287 555 HZ2 LYS 67 1HZ LYS 67 -8.329 12.792 8.784 556 HZ3 LYS 67 2HZ LYS 67 -8.599 13.189 10.404 557 H GLU 68 H GLU 68 -9.573 6.667 7.403 558 HA GLU 68 HA GLU 68 -12.387 6.408 7.023 559 HB2 GLU 68 2HB GLU 68 -10.137 6.012 5.024 560 HB3 GLU 68 1HB GLU 68 -11.843 6.174 4.622 561 HG2 GLU 68 2HG GLU 68 -9.947 8.281 5.677 562 HG3 GLU 68 1HG GLU 68 -10.867 8.294 4.176 563 H LEU 69 H LEU 69 -9.724 4.087 7.152 564 HA LEU 69 HA LEU 69 -11.182 1.783 6.395 565 HB2 LEU 69 2HB LEU 69 -8.748 2.093 8.185 566 HB3 LEU 69 1HB LEU 69 -9.440 0.523 7.806 567 HG LEU 69 HG LEU 69 -8.289 2.452 5.748 568 HD11 LEU 69 1HD1 LEU 69 -6.533 1.554 7.183 569 HD12 LEU 69 2HD1 LEU 69 -6.429 0.894 5.552 570 HD13 LEU 69 3HD1 LEU 69 -7.093 -0.091 6.859 571 HD21 LEU 69 3HD2 LEU 69 -9.248 -0.405 5.414 572 HD22 LEU 69 1HD2 LEU 69 -8.453 0.579 4.178 573 HD23 LEU 69 2HD2 LEU 69 -10.041 1.042 4.784 574 H GLY 70 H GLY 70 -10.690 3.428 9.513 575 HA2 GLY 70 2HA GLY 70 -12.023 1.634 11.220 576 HA3 GLY 70 1HA GLY 70 -11.829 3.361 11.482 577 H ASN 71 H ASN 71 -13.218 4.319 9.280 578 HA ASN 71 HA ASN 71 -15.970 4.267 9.983 579 HB2 ASN 71 2HB ASN 71 -14.770 4.973 7.257 580 HB3 ASN 71 1HB ASN 71 -16.398 5.377 7.793 581 HD21 ASN 71 1HD2 ASN 71 -14.210 7.093 6.923 582 HD22 ASN 71 2HD2 ASN 71 -13.915 8.199 8.212 583 H LYS 72 H LYS 72 -14.483 2.947 7.056 584 HA LYS 72 HA LYS 72 -16.283 1.107 6.158 585 HB2 LYS 72 2HB LYS 72 -13.270 0.695 6.222 586 HB3 LYS 72 1HB LYS 72 -14.389 -0.198 5.195 587 HG2 LYS 72 2HG LYS 72 -15.000 1.881 4.013 588 HG3 LYS 72 1HG LYS 72 -13.943 2.805 5.080 589 HD2 LYS 72 2HD LYS 72 -12.811 2.449 2.962 590 HD3 LYS 72 1HD LYS 72 -11.979 1.519 4.213 591 HE2 LYS 72 2HE LYS 72 -12.245 0.247 2.097 592 HE3 LYS 72 1HE LYS 72 -13.082 -0.536 3.440 593 HZ1 LYS 72 3HZ LYS 72 -15.158 0.383 2.661 594 HZ2 LYS 72 1HZ LYS 72 -14.412 -0.464 1.406 595 HZ3 LYS 72 2HZ LYS 72 -14.372 1.216 1.418 596 H LEU 73 H LEU 73 -14.245 0.629 9.014 597 HA LEU 73 HA LEU 73 -14.786 -2.224 9.205 598 HB2 LEU 73 2HB LEU 73 -13.146 -0.348 10.948 599 HB3 LEU 73 1HB LEU 73 -13.406 -2.035 11.364 600 HG LEU 73 HG LEU 73 -11.933 -0.996 8.914 601 HD11 LEU 73 1HD1 LEU 73 -10.624 -0.811 10.966 602 HD12 LEU 73 2HD1 LEU 73 -9.961 -2.047 9.901 603 HD13 LEU 73 3HD1 LEU 73 -10.900 -2.520 11.321 604 HD21 LEU 73 3HD2 LEU 73 -13.158 -2.996 8.286 605 HD22 LEU 73 1HD2 LEU 73 -12.534 -3.863 9.692 606 HD23 LEU 73 2HD2 LEU 73 -11.438 -3.356 8.403 607 H GLU 74 H GLU 74 -16.437 0.581 10.224 608 HA GLU 74 HA GLU 74 -17.717 -0.336 12.565 609 HB2 GLU 74 2HB GLU 74 -18.816 1.425 10.328 610 HB3 GLU 74 1HB GLU 74 -19.642 1.152 11.863 611 HG2 GLU 74 2HG GLU 74 -17.749 2.178 13.073 612 HG3 GLU 74 1HG GLU 74 -16.915 2.457 11.542 613 H HIS 75 H HIS 75 -18.620 -0.791 9.125 614 HA HIS 75 HA HIS 75 -20.402 -2.913 9.410 615 HB2 HIS 75 2HB HIS 75 -19.997 -1.948 7.202 616 HB3 HIS 75 1HB HIS 75 -18.302 -2.418 7.251 617 HD1 HIS 75 HD1 HIS 75 -21.733 -4.053 7.164 618 HD2 HIS 75 HD2 HIS 75 -17.791 -4.861 6.109 619 HE1 HIS 75 HE1 HIS 75 -21.784 -6.260 5.978 620 HE2 HIS 75 HE2 HIS 75 -19.386 -6.758 5.411 621 H HIS 76 H HIS 76 -19.895 -4.278 11.050 622 HA HIS 76 HA HIS 76 -17.227 -5.450 11.324 623 HB2 HIS 76 2HB HIS 76 -19.699 -5.524 13.099 624 HB3 HIS 76 1HB HIS 76 -18.219 -6.395 13.476 625 HD1 HIS 76 HD1 HIS 76 -19.855 -3.286 14.175 626 HD2 HIS 76 HD2 HIS 76 -15.913 -4.480 13.643 627 HE1 HIS 76 HE1 HIS 76 -18.457 -1.497 15.246 628 HE2 HIS 76 HE2 HIS 76 -16.090 -2.279 14.958 629 H HIS 77 H HIS 77 -16.785 -7.424 10.459 630 HA HIS 77 HA HIS 77 -18.809 -9.427 9.931 631 HB2 HIS 77 2HB HIS 77 -16.554 -9.295 8.716 632 HB3 HIS 77 1HB HIS 77 -15.794 -9.857 10.198 633 HD1 HIS 77 HD1 HIS 77 -15.322 -12.287 10.103 634 HD2 HIS 77 HD2 HIS 77 -18.694 -11.322 7.887 635 HE1 HIS 77 HE1 HIS 77 -16.086 -14.439 9.078 636 HE2 HIS 77 HE2 HIS 77 -18.062 -13.808 7.661 637 H HIS 78 H HIS 78 -19.945 -9.794 11.790 638 HA HIS 78 HA HIS 78 -19.131 -9.104 14.336 639 HB2 HIS 78 2HB HIS 78 -21.509 -9.335 13.595 640 HB3 HIS 78 1HB HIS 78 -21.349 -11.087 13.680 641 HD1 HIS 78 HD1 HIS 78 -21.719 -12.157 15.961 642 HD2 HIS 78 HD2 HIS 78 -21.344 -8.021 16.184 643 HE1 HIS 78 HE1 HIS 78 -22.277 -11.550 18.331 644 HE2 HIS 78 HE2 HIS 78 -21.810 -9.085 18.483 645 H HIS 79 H HIS 79 -19.214 -12.366 12.929 646 HA HIS 79 HA HIS 79 -17.340 -13.274 15.046 647 HB2 HIS 79 2HB HIS 79 -19.464 -14.620 14.912 648 HB3 HIS 79 1HB HIS 79 -19.106 -14.994 13.230 649 HD1 HIS 79 HD1 HIS 79 -18.264 -15.992 16.713 650 HD2 HIS 79 HD2 HIS 79 -16.909 -16.839 12.875 651 HE1 HIS 79 HE1 HIS 79 -16.782 -18.008 16.939 652 HE2 HIS 79 HE2 HIS 79 -15.826 -18.359 14.647 653 H HIS 80 H HIS 80 -15.432 -12.492 14.096 654 HA HIS 80 HA HIS 80 -14.699 -12.715 11.419 655 HB2 HIS 80 2HB HIS 80 -12.914 -12.588 13.885 656 HB3 HIS 80 1HB HIS 80 -12.351 -12.369 12.231 657 HD1 HIS 80 HD1 HIS 80 -13.770 -10.296 10.945 658 HD2 HIS 80 HD2 HIS 80 -13.426 -10.224 15.092 659 HE1 HIS 80 HE1 HIS 80 -14.226 -7.922 11.625 660 HE2 HIS 80 HE2 HIS 80 -14.087 -7.927 14.135 661 H1 MET 1 1H MET 1 1.465 -15.826 -16.734 662 H2 MET 1 2H MET 1 2.824 -15.036 -16.110 663 H3 MET 1 3H MET 1 2.779 -16.726 -16.170 664 HA MET 1 HA MET 1 4.182 -15.805 -17.884 665 HB2 MET 1 2HB MET 1 3.261 -17.075 -19.771 666 HB3 MET 1 1HB MET 1 3.027 -17.960 -18.272 667 HG2 MET 1 2HG MET 1 0.676 -17.399 -18.238 668 HG3 MET 1 1HG MET 1 0.870 -16.314 -19.616 669 HE1 MET 1 3HE MET 1 -1.096 -17.455 -20.960 670 HE2 MET 1 1HE MET 1 -1.402 -18.542 -19.602 671 HE3 MET 1 2HE MET 1 -1.216 -19.193 -21.230 672 H ALA 2 H ALA 2 1.331 -14.058 -17.407 673 HA ALA 2 HA ALA 2 0.949 -12.797 -19.923 674 HB1 ALA 2 3HB ALA 2 -0.789 -12.823 -18.173 675 HB2 ALA 2 1HB ALA 2 -0.417 -11.167 -18.663 676 HB3 ALA 2 2HB ALA 2 0.212 -11.803 -17.139 677 H ASP 3 H ASP 3 2.282 -11.434 -20.893 678 HA ASP 3 HA ASP 3 4.511 -10.110 -19.625 679 HB2 ASP 3 2HB ASP 3 3.368 -9.837 -22.454 680 HB3 ASP 3 1HB ASP 3 4.902 -9.154 -21.917 681 H LYS 4 H LYS 4 1.763 -8.854 -21.533 682 HA LYS 4 HA LYS 4 1.820 -6.244 -20.249 683 HB2 LYS 4 2HB LYS 4 1.316 -6.428 -22.671 684 HB3 LYS 4 1HB LYS 4 -0.035 -7.504 -22.328 685 HG2 LYS 4 2HG LYS 4 -1.078 -5.539 -21.022 686 HG3 LYS 4 1HG LYS 4 0.177 -4.531 -21.748 687 HD2 LYS 4 2HD LYS 4 -1.871 -4.354 -23.068 688 HD3 LYS 4 1HD LYS 4 -0.636 -5.186 -24.015 689 HE2 LYS 4 2HE LYS 4 -1.697 -7.370 -23.451 690 HE3 LYS 4 1HE LYS 4 -2.933 -6.520 -22.523 691 HZ1 LYS 4 3HZ LYS 4 -2.467 -6.262 -25.448 692 HZ2 LYS 4 1HZ LYS 4 -3.634 -5.417 -24.568 693 HZ3 LYS 4 2HZ LYS 4 -3.735 -7.098 -24.711 694 H LEU 5 H LEU 5 0.554 -5.753 -18.491 695 HA LEU 5 HA LEU 5 -1.616 -7.592 -17.694 696 HB2 LEU 5 2HB LEU 5 -0.476 -5.216 -16.165 697 HB3 LEU 5 1HB LEU 5 -1.662 -6.374 -15.564 698 HG LEU 5 HG LEU 5 1.288 -6.884 -16.140 699 HD11 LEU 5 1HD1 LEU 5 1.402 -7.435 -13.760 700 HD12 LEU 5 2HD1 LEU 5 -0.317 -7.070 -13.573 701 HD13 LEU 5 3HD1 LEU 5 0.823 -5.789 -14.004 702 HD21 LEU 5 3HD2 LEU 5 0.060 -8.846 -16.913 703 HD22 LEU 5 1HD2 LEU 5 -0.826 -8.933 -15.387 704 HD23 LEU 5 2HD2 LEU 5 0.916 -9.221 -15.421 705 H LYS 6 H LYS 6 -3.656 -6.767 -17.178 706 HA LYS 6 HA LYS 6 -4.501 -4.236 -18.462 707 HB2 LYS 6 2HB LYS 6 -5.973 -6.913 -18.254 708 HB3 LYS 6 1HB LYS 6 -6.743 -5.417 -18.771 709 HG2 LYS 6 2HG LYS 6 -4.441 -6.792 -20.201 710 HG3 LYS 6 1HG LYS 6 -6.141 -6.875 -20.673 711 HD2 LYS 6 2HD LYS 6 -4.477 -4.324 -20.561 712 HD3 LYS 6 1HD LYS 6 -4.855 -5.227 -22.029 713 HE2 LYS 6 2HE LYS 6 -7.211 -4.723 -21.827 714 HE3 LYS 6 1HE LYS 6 -6.989 -4.050 -20.210 715 HZ1 LYS 6 3HZ LYS 6 -5.868 -2.908 -22.708 716 HZ2 LYS 6 1HZ LYS 6 -5.705 -2.258 -21.152 717 HZ3 LYS 6 2HZ LYS 6 -7.226 -2.329 -21.885 718 H PHE 7 H PHE 7 -6.047 -3.003 -17.191 719 HA PHE 7 HA PHE 7 -6.589 -3.955 -14.470 720 HB2 PHE 7 2HB PHE 7 -5.850 -1.634 -13.642 721 HB3 PHE 7 1HB PHE 7 -4.556 -2.718 -14.118 722 HD1 PHE 7 HD1 PHE 7 -3.166 -2.245 -16.096 723 HD2 PHE 7 HD2 PHE 7 -6.363 0.393 -15.005 724 HE1 PHE 7 HE1 PHE 7 -2.287 -0.525 -17.627 725 HE2 PHE 7 HE2 PHE 7 -5.469 2.097 -16.538 726 HZ PHE 7 HZ PHE 7 -3.438 1.641 -17.844 727 H GLU 8 H GLU 8 -8.575 -3.311 -13.802 728 HA GLU 8 HA GLU 8 -9.923 -1.030 -15.097 729 HB2 GLU 8 2HB GLU 8 -10.728 -3.117 -16.220 730 HB3 GLU 8 1HB GLU 8 -11.166 -3.796 -14.653 731 HG2 GLU 8 2HG GLU 8 -12.873 -2.059 -14.336 732 HG3 GLU 8 1HG GLU 8 -12.386 -1.276 -15.839 733 H ILE 9 H ILE 9 -10.704 0.289 -13.514 734 HA ILE 9 HA ILE 9 -10.373 -0.589 -10.738 735 HB ILE 9 HB ILE 9 -11.109 2.177 -11.812 736 HG12 ILE 9 2HG1 ILE 9 -8.493 0.995 -10.770 737 HG13 ILE 9 1HG1 ILE 9 -8.809 1.630 -12.381 738 HG21 ILE 9 1HG2 ILE 9 -12.073 1.837 -9.558 739 HG22 ILE 9 2HG2 ILE 9 -10.741 2.992 -9.494 740 HG23 ILE 9 3HG2 ILE 9 -10.494 1.333 -8.948 741 HD11 ILE 9 3HD1 ILE 9 -7.454 3.164 -11.154 742 HD12 ILE 9 1HD1 ILE 9 -8.613 3.218 -9.826 743 HD13 ILE 9 2HD1 ILE 9 -9.045 3.882 -11.402 744 H ILE 10 H ILE 10 -11.964 -1.480 -9.744 745 HA ILE 10 HA ILE 10 -14.640 -1.630 -10.878 746 HB ILE 10 HB ILE 10 -13.506 -3.029 -8.399 747 HG12 ILE 10 2HG1 ILE 10 -12.226 -3.701 -10.403 748 HG13 ILE 10 1HG1 ILE 10 -13.227 -5.037 -9.849 749 HG21 ILE 10 1HG2 ILE 10 -16.025 -3.628 -10.008 750 HG22 ILE 10 2HG2 ILE 10 -15.965 -2.947 -8.381 751 HG23 ILE 10 3HG2 ILE 10 -15.412 -4.596 -8.662 752 HD11 ILE 10 3HD1 ILE 10 -13.774 -3.237 -12.211 753 HD12 ILE 10 1HD1 ILE 10 -14.846 -4.529 -11.651 754 HD13 ILE 10 2HD1 ILE 10 -13.232 -4.912 -12.246 755 H GLU 11 H GLU 11 -12.903 -0.273 -8.119 756 HA GLU 11 HA GLU 11 -15.071 1.493 -7.401 757 HB2 GLU 11 2HB GLU 11 -15.800 -0.659 -6.343 758 HB3 GLU 11 1HB GLU 11 -14.298 -0.720 -5.427 759 HG2 GLU 11 2HG GLU 11 -14.948 1.349 -4.220 760 HG3 GLU 11 1HG GLU 11 -16.433 1.440 -5.174 761 H GLU 12 H GLU 12 -14.385 3.097 -5.973 762 HA GLU 12 HA GLU 12 -11.513 3.231 -5.239 763 HB2 GLU 12 2HB GLU 12 -13.622 5.448 -5.276 764 HB3 GLU 12 1HB GLU 12 -11.925 5.656 -4.843 765 HG2 GLU 12 2HG GLU 12 -11.239 5.073 -7.125 766 HG3 GLU 12 1HG GLU 12 -12.923 4.776 -7.573 767 H LEU 13 H LEU 13 -10.937 3.158 -3.094 768 HA LEU 13 HA LEU 13 -13.133 2.707 -1.135 769 HB2 LEU 13 2HB LEU 13 -10.168 2.033 -0.912 770 HB3 LEU 13 1HB LEU 13 -11.387 1.679 0.307 771 HG LEU 13 HG LEU 13 -11.288 0.469 -2.490 772 HD11 LEU 13 1HD1 LEU 13 -10.742 -1.631 -1.355 773 HD12 LEU 13 2HD1 LEU 13 -10.673 -0.792 0.199 774 HD13 LEU 13 3HD1 LEU 13 -9.509 -0.404 -1.073 775 HD21 LEU 13 3HD2 LEU 13 -13.597 0.702 -1.729 776 HD22 LEU 13 1HD2 LEU 13 -13.205 -0.095 -0.200 777 HD23 LEU 13 2HD2 LEU 13 -13.113 -0.990 -1.720 778 H ILE 14 H ILE 14 -9.907 4.266 -1.225 779 HA ILE 14 HA ILE 14 -10.844 6.465 0.515 780 HB ILE 14 HB ILE 14 -8.364 4.788 1.192 781 HG12 ILE 14 2HG1 ILE 14 -11.000 4.917 2.731 782 HG13 ILE 14 1HG1 ILE 14 -10.470 3.555 1.750 783 HG21 ILE 14 1HG2 ILE 14 -8.231 6.187 3.230 784 HG22 ILE 14 2HG2 ILE 14 -9.625 7.124 2.685 785 HG23 ILE 14 3HG2 ILE 14 -8.114 7.169 1.770 786 HD11 ILE 14 3HD1 ILE 14 -10.126 3.148 4.102 787 HD12 ILE 14 1HD1 ILE 14 -9.092 4.569 4.233 788 HD13 ILE 14 2HD1 ILE 14 -8.589 3.192 3.243 789 H VAL 15 H VAL 15 -10.198 8.266 -0.571 790 HA VAL 15 HA VAL 15 -7.783 8.269 -2.226 791 HB VAL 15 HB VAL 15 -9.720 10.566 -1.666 792 HG11 VAL 15 1HG1 VAL 15 -7.505 11.328 -2.455 793 HG12 VAL 15 2HG1 VAL 15 -8.742 11.615 -3.678 794 HG13 VAL 15 3HG1 VAL 15 -7.624 10.260 -3.857 795 HG21 VAL 15 3HG2 VAL 15 -10.907 8.700 -2.759 796 HG22 VAL 15 1HG2 VAL 15 -9.693 8.665 -4.042 797 HG23 VAL 15 2HG2 VAL 15 -10.743 10.073 -3.856 798 H LEU 16 H LEU 16 -5.844 8.951 -1.439 799 HA LEU 16 HA LEU 16 -5.759 9.913 1.358 800 HB2 LEU 16 2HB LEU 16 -3.538 8.740 -0.357 801 HB3 LEU 16 1HB LEU 16 -3.398 9.175 1.340 802 HG LEU 16 HG LEU 16 -5.224 6.992 0.243 803 HD11 LEU 16 1HD1 LEU 16 -2.640 6.715 1.806 804 HD12 LEU 16 2HD1 LEU 16 -2.869 6.333 0.096 805 HD13 LEU 16 3HD1 LEU 16 -3.724 5.403 1.325 806 HD21 LEU 16 3HD2 LEU 16 -6.174 8.041 2.232 807 HD22 LEU 16 1HD2 LEU 16 -4.658 7.806 3.112 808 HD23 LEU 16 2HD2 LEU 16 -5.612 6.414 2.595 809 H SER 17 H SER 17 -5.011 10.976 -1.940 810 HA SER 17 HA SER 17 -4.513 13.618 -1.336 811 HB2 SER 17 2HB SER 17 -2.401 12.824 -0.270 812 HB3 SER 17 1HB SER 17 -1.898 12.108 -1.797 813 HG SER 17 HG SER 17 -1.943 14.765 -0.983 814 H GLU 18 H GLU 18 -3.651 14.809 -3.086 815 HA GLU 18 HA GLU 18 -3.904 13.634 -5.789 816 HB2 GLU 18 2HB GLU 18 -6.085 14.662 -5.169 817 HB3 GLU 18 1HB GLU 18 -5.281 16.199 -4.844 818 HG2 GLU 18 2HG GLU 18 -4.657 16.416 -7.194 819 HG3 GLU 18 1HG GLU 18 -5.296 14.807 -7.538 820 H ASN 19 H ASN 19 -2.455 14.515 -7.263 821 HA ASN 19 HA ASN 19 -0.180 15.832 -5.881 822 HB2 ASN 19 2HB ASN 19 -0.042 13.732 -7.448 823 HB3 ASN 19 1HB ASN 19 -0.123 14.867 -8.784 824 HD21 ASN 19 1HD2 ASN 19 1.835 13.362 -6.469 825 HD22 ASN 19 2HD2 ASN 19 3.313 14.155 -6.865 826 H ALA 20 H ALA 20 1.086 17.547 -7.009 827 HA ALA 20 HA ALA 20 -0.377 19.709 -8.114 828 HB1 ALA 20 3HB ALA 20 1.827 20.695 -8.628 829 HB2 ALA 20 1HB ALA 20 2.610 19.146 -8.300 830 HB3 ALA 20 2HB ALA 20 1.804 20.019 -6.998 831 H LYS 21 H LYS 21 1.181 16.911 -9.496 832 HA LYS 21 HA LYS 21 0.827 17.635 -12.293 833 HB2 LYS 21 2HB LYS 21 1.346 14.849 -11.130 834 HB3 LYS 21 1HB LYS 21 1.647 15.388 -12.777 835 HG2 LYS 21 2HG LYS 21 3.154 16.238 -10.287 836 HG3 LYS 21 1HG LYS 21 3.741 15.163 -11.559 837 HD2 LYS 21 2HD LYS 21 3.686 17.043 -13.172 838 HD3 LYS 21 1HD LYS 21 3.072 18.116 -11.909 839 HE2 LYS 21 2HE LYS 21 5.166 17.789 -10.626 840 HE3 LYS 21 1HE LYS 21 5.775 16.723 -11.894 841 HZ1 LYS 21 3HZ LYS 21 5.750 18.564 -13.437 842 HZ2 LYS 21 1HZ LYS 21 6.640 18.987 -12.064 843 HZ3 LYS 21 2HZ LYS 21 5.071 19.586 -12.273 844 H GLY 22 H GLY 22 -1.075 16.468 -9.760 845 HA2 GLY 22 2HA GLY 22 -3.459 16.415 -9.906 846 HA3 GLY 22 1HA GLY 22 -3.332 15.622 -11.469 847 H TRP 23 H TRP 23 -1.039 13.973 -10.321 848 HA TRP 23 HA TRP 23 -2.490 11.608 -10.353 849 HB2 TRP 23 2HB TRP 23 0.334 12.196 -9.407 850 HB3 TRP 23 1HB TRP 23 -0.324 10.563 -9.432 851 HD1 TRP 23 HD1 TRP 23 -0.245 13.418 -12.100 852 HE1 TRP 23 HE1 TRP 23 0.526 12.405 -14.307 853 HE3 TRP 23 HE3 TRP 23 0.413 8.575 -10.565 854 HZ2 TRP 23 HZ2 TRP 23 1.355 9.879 -15.290 855 HZ3 TRP 23 HZ3 TRP 23 1.209 6.918 -12.210 856 HH2 TRP 23 HH2 TRP 23 1.663 7.565 -14.525 857 H ARG 24 H ARG 24 -3.618 10.481 -8.887 858 HA ARG 24 HA ARG 24 -3.673 11.455 -6.111 859 HB2 ARG 24 2HB ARG 24 -5.738 10.121 -7.889 860 HB3 ARG 24 1HB ARG 24 -5.880 9.982 -6.136 861 HG2 ARG 24 2HG ARG 24 -5.820 12.479 -5.984 862 HG3 ARG 24 1HG ARG 24 -5.874 12.559 -7.748 863 HD2 ARG 24 2HD ARG 24 -7.982 11.104 -6.118 864 HD3 ARG 24 1HD ARG 24 -8.098 12.828 -6.466 865 HE ARG 24 HE ARG 24 -8.010 12.158 -8.885 866 HH11 ARG 24 1HH1 ARG 24 -9.283 9.908 -6.497 867 HH12 ARG 24 2HH1 ARG 24 -10.337 9.121 -7.615 868 HH21 ARG 24 1HH2 ARG 24 -9.458 11.172 -10.326 869 HH22 ARG 24 2HH2 ARG 24 -10.428 9.846 -9.788 870 H LYS 25 H LYS 25 -2.750 10.243 -4.576 871 HA LYS 25 HA LYS 25 -2.201 7.400 -5.262 872 HB2 LYS 25 2HB LYS 25 -0.486 7.320 -3.589 873 HB3 LYS 25 1HB LYS 25 -0.188 8.667 -4.669 874 HG2 LYS 25 2HG LYS 25 -1.002 10.224 -2.887 875 HG3 LYS 25 1HG LYS 25 -1.191 8.824 -1.813 876 HD2 LYS 25 2HD LYS 25 1.261 8.298 -2.149 877 HD3 LYS 25 1HD LYS 25 1.405 9.784 -3.097 878 HE2 LYS 25 2HE LYS 25 0.668 9.570 -0.171 879 HE3 LYS 25 1HE LYS 25 2.193 10.158 -0.829 880 HZ1 LYS 25 3HZ LYS 25 -0.467 11.444 -0.914 881 HZ2 LYS 25 1HZ LYS 25 0.779 11.927 -1.954 882 HZ3 LYS 25 2HZ LYS 25 0.978 12.046 -0.282 883 H GLU 26 H GLU 26 -3.666 6.094 -4.621 884 HA GLU 26 HA GLU 26 -5.074 6.468 -2.064 885 HB2 GLU 26 2HB GLU 26 -7.273 6.252 -3.281 886 HB3 GLU 26 1HB GLU 26 -6.403 7.750 -3.583 887 HG2 GLU 26 2HG GLU 26 -5.600 6.787 -5.757 888 HG3 GLU 26 1HG GLU 26 -6.612 5.371 -5.451 889 H LEU 27 H LEU 27 -6.688 4.761 -1.731 890 HA LEU 27 HA LEU 27 -5.771 2.076 -2.504 891 HB2 LEU 27 2HB LEU 27 -5.750 2.543 -0.091 892 HB3 LEU 27 1HB LEU 27 -7.402 3.136 -0.152 893 HG LEU 27 HG LEU 27 -8.162 0.794 -0.742 894 HD11 LEU 27 1HD1 LEU 27 -6.098 -0.091 -1.689 895 HD12 LEU 27 2HD1 LEU 27 -6.641 -1.100 -0.349 896 HD13 LEU 27 3HD1 LEU 27 -5.299 0.025 -0.118 897 HD21 LEU 27 3HD2 LEU 27 -8.316 1.649 1.545 898 HD22 LEU 27 1HD2 LEU 27 -6.681 1.073 1.885 899 HD23 LEU 27 2HD2 LEU 27 -7.973 -0.078 1.536 900 H ASN 28 H ASN 28 -7.007 1.187 -4.019 901 HA ASN 28 HA ASN 28 -9.945 1.577 -4.061 902 HB2 ASN 28 2HB ASN 28 -9.787 1.567 -6.629 903 HB3 ASN 28 1HB ASN 28 -9.275 3.033 -5.816 904 HD21 ASN 28 1HD2 ASN 28 -7.083 0.235 -5.924 905 HD22 ASN 28 2HD2 ASN 28 -6.008 0.923 -7.070 906 H ARG 29 H ARG 29 -11.022 -0.147 -5.478 907 HA ARG 29 HA ARG 29 -9.635 -2.733 -5.339 908 HB2 ARG 29 2HB ARG 29 -12.588 -2.023 -5.674 909 HB3 ARG 29 1HB ARG 29 -11.949 -3.664 -5.770 910 HG2 ARG 29 2HG ARG 29 -11.151 -3.478 -3.430 911 HG3 ARG 29 1HG ARG 29 -11.844 -1.856 -3.329 912 HD2 ARG 29 2HD ARG 29 -13.300 -3.595 -2.302 913 HD3 ARG 29 1HD ARG 29 -14.087 -2.755 -3.642 914 HE ARG 29 HE ARG 29 -13.725 -4.684 -5.021 915 HH11 ARG 29 1HH1 ARG 29 -13.176 -5.270 -1.601 916 HH12 ARG 29 2HH1 ARG 29 -13.362 -6.983 -1.748 917 HH21 ARG 29 1HH2 ARG 29 -13.945 -6.923 -5.201 918 HH22 ARG 29 2HH2 ARG 29 -13.800 -7.925 -3.794 919 H VAL 30 H VAL 30 -8.830 -3.477 -7.151 920 HA VAL 30 HA VAL 30 -9.791 -2.572 -9.811 921 HB VAL 30 HB VAL 30 -6.889 -3.086 -8.977 922 HG11 VAL 30 1HG1 VAL 30 -7.216 -3.761 -11.315 923 HG12 VAL 30 2HG1 VAL 30 -6.248 -2.289 -11.235 924 HG13 VAL 30 3HG1 VAL 30 -7.953 -2.198 -11.686 925 HG21 VAL 30 3HG2 VAL 30 -7.675 -0.947 -8.092 926 HG22 VAL 30 1HG2 VAL 30 -8.259 -0.469 -9.690 927 HG23 VAL 30 2HG2 VAL 30 -6.528 -0.667 -9.404 928 H SER 31 H SER 31 -9.813 -4.139 -11.402 929 HA SER 31 HA SER 31 -9.344 -6.959 -10.654 930 HB2 SER 31 2HB SER 31 -11.678 -6.557 -11.332 931 HB3 SER 31 1HB SER 31 -11.146 -5.766 -12.816 932 HG SER 31 HG SER 31 -10.947 -8.500 -12.100 933 H TRP 32 H TRP 32 -7.608 -7.873 -11.637 934 HA TRP 32 HA TRP 32 -6.236 -6.393 -13.790 935 HB2 TRP 32 2HB TRP 32 -5.231 -8.413 -11.741 936 HB3 TRP 32 1HB TRP 32 -4.250 -7.794 -13.066 937 HD1 TRP 32 HD1 TRP 32 -5.656 -6.746 -9.650 938 HE1 TRP 32 HE1 TRP 32 -4.482 -4.558 -8.939 939 HE3 TRP 32 HE3 TRP 32 -3.249 -5.630 -14.033 940 HZ2 TRP 32 HZ2 TRP 32 -2.854 -2.586 -10.100 941 HZ3 TRP 32 HZ3 TRP 32 -1.898 -3.572 -14.152 942 HH2 TRP 32 HH2 TRP 32 -1.706 -2.080 -12.220 943 H ASN 33 H ASN 33 -6.394 -7.184 -15.746 944 HA ASN 33 HA ASN 33 -6.408 -8.539 -17.570 945 HB2 ASN 33 2HB ASN 33 -5.243 -10.444 -15.509 946 HB3 ASN 33 1HB ASN 33 -5.556 -11.008 -17.150 947 HD21 ASN 33 1HD2 ASN 33 -3.023 -10.671 -15.678 948 HD22 ASN 33 2HD2 ASN 33 -2.045 -9.670 -16.685 949 H ASP 34 H ASP 34 -8.861 -8.132 -16.254 950 HA ASP 34 HA ASP 34 -11.011 -8.821 -16.012 951 HB2 ASP 34 2HB ASP 34 -10.140 -10.720 -18.235 952 HB3 ASP 34 1HB ASP 34 -11.820 -10.503 -17.750 953 H ALA 35 H ALA 35 -9.003 -10.146 -14.306 954 HA ALA 35 HA ALA 35 -10.110 -12.838 -13.803 955 HB1 ALA 35 3HB ALA 35 -7.648 -12.613 -13.906 956 HB2 ALA 35 1HB ALA 35 -8.172 -13.127 -12.300 957 HB3 ALA 35 2HB ALA 35 -7.688 -11.451 -12.580 958 H GLU 36 H GLU 36 -9.809 -13.101 -11.130 959 HA GLU 36 HA GLU 36 -11.925 -12.011 -9.794 960 HB2 GLU 36 2HB GLU 36 -10.733 -12.570 -7.672 961 HB3 GLU 36 1HB GLU 36 -10.665 -13.861 -8.869 962 HG2 GLU 36 2HG GLU 36 -8.374 -13.348 -9.424 963 HG3 GLU 36 1HG GLU 36 -8.405 -11.884 -8.439 964 HA PRO 37 HA PRO 37 -10.611 -7.718 -9.003 965 HB2 PRO 37 2HB PRO 37 -12.720 -6.883 -7.503 966 HB3 PRO 37 1HB PRO 37 -12.899 -7.207 -9.240 967 HG2 PRO 37 2HG PRO 37 -13.654 -8.962 -6.920 968 HG3 PRO 37 1HG PRO 37 -14.567 -8.616 -8.409 969 HD2 PRO 37 2HD PRO 37 -13.051 -10.895 -8.056 970 HD3 PRO 37 1HD PRO 37 -13.397 -10.190 -9.650 971 H LYS 38 H LYS 38 -9.371 -6.827 -7.392 972 HA LYS 38 HA LYS 38 -9.516 -7.795 -4.641 973 HB2 LYS 38 2HB LYS 38 -7.064 -8.222 -4.553 974 HB3 LYS 38 1HB LYS 38 -7.915 -9.355 -5.598 975 HG2 LYS 38 2HG LYS 38 -7.112 -8.146 -7.591 976 HG3 LYS 38 1HG LYS 38 -6.317 -6.949 -6.558 977 HD2 LYS 38 2HD LYS 38 -4.723 -8.660 -7.434 978 HD3 LYS 38 1HD LYS 38 -4.799 -8.643 -5.670 979 HE2 LYS 38 2HE LYS 38 -6.301 -10.620 -5.728 980 HE3 LYS 38 1HE LYS 38 -6.212 -10.632 -7.490 981 HZ1 LYS 38 3HZ LYS 38 -4.711 -12.229 -6.559 982 HZ2 LYS 38 1HZ LYS 38 -3.953 -11.051 -5.613 983 HZ3 LYS 38 2HZ LYS 38 -3.821 -11.000 -7.300 984 H TYR 39 H TYR 39 -7.648 -6.604 -3.395 985 HA TYR 39 HA TYR 39 -8.237 -3.796 -3.731 986 HB2 TYR 39 2HB TYR 39 -6.546 -5.198 -1.611 987 HB3 TYR 39 1HB TYR 39 -7.220 -3.567 -1.518 988 HD1 TYR 39 HD2 TYR 39 -9.694 -3.246 -1.203 989 HD2 TYR 39 HD1 TYR 39 -7.973 -7.167 -1.196 990 HE1 TYR 39 HE2 TYR 39 -11.757 -4.159 -0.214 991 HE2 TYR 39 HE1 TYR 39 -10.042 -8.071 -0.224 992 HH TYR 39 HH TYR 39 -11.978 -7.165 1.185 993 H ASP 40 H ASP 40 -6.851 -2.322 -4.335 994 HA ASP 40 HA ASP 40 -3.991 -2.883 -4.869 995 HB2 ASP 40 2HB ASP 40 -5.142 -3.058 -7.015 996 HB3 ASP 40 1HB ASP 40 -6.024 -1.562 -6.732 997 H ILE 41 H ILE 41 -2.611 -1.218 -4.404 998 HA ILE 41 HA ILE 41 -3.708 1.371 -3.513 999 HB ILE 41 HB ILE 41 -3.568 0.170 -1.415 1000 HG12 ILE 41 2HG1 ILE 41 -1.157 2.031 -1.661 1001 HG13 ILE 41 1HG1 ILE 41 -2.816 2.535 -1.366 1002 HG21 ILE 41 1HG2 ILE 41 -0.700 -0.559 -2.057 1003 HG22 ILE 41 2HG2 ILE 41 -2.074 -1.665 -2.063 1004 HG23 ILE 41 3HG2 ILE 41 -1.545 -0.922 -0.550 1005 HD11 ILE 41 3HD1 ILE 41 -1.529 2.615 0.665 1006 HD12 ILE 41 1HD1 ILE 41 -1.078 0.919 0.502 1007 HD13 ILE 41 2HD1 ILE 41 -2.764 1.364 0.798 1008 H ARG 42 H ARG 42 -2.672 2.872 -4.518 1009 HA ARG 42 HA ARG 42 0.129 2.945 -5.143 1010 HB2 ARG 42 2HB ARG 42 0.241 2.353 -7.430 1011 HB3 ARG 42 1HB ARG 42 -0.785 1.107 -6.735 1012 HG2 ARG 42 2HG ARG 42 -2.774 2.466 -7.557 1013 HG3 ARG 42 1HG ARG 42 -1.611 3.459 -8.442 1014 HD2 ARG 42 2HD ARG 42 -2.276 0.543 -8.818 1015 HD3 ARG 42 1HD ARG 42 -2.403 1.855 -9.985 1016 HE ARG 42 HE ARG 42 0.173 1.871 -9.770 1017 HH11 ARG 42 1HH1 ARG 42 -1.843 -0.979 -9.571 1018 HH12 ARG 42 2HH1 ARG 42 -0.618 -2.037 -10.194 1019 HH21 ARG 42 1HH2 ARG 42 1.777 0.455 -10.600 1020 HH22 ARG 42 2HH2 ARG 42 1.414 -1.231 -10.774 1021 H THR 43 H THR 43 0.461 4.631 -7.171 1022 HA THR 43 HA THR 43 -1.386 6.860 -6.754 1023 HB THR 43 HB THR 43 1.357 6.905 -8.108 1024 HG1 THR 43 HG1 THR 43 0.865 6.520 -5.529 1025 HG21 THR 43 3HG2 THR 43 -0.117 8.827 -8.629 1026 HG22 THR 43 1HG2 THR 43 1.240 9.336 -7.620 1027 HG23 THR 43 2HG2 THR 43 -0.360 9.119 -6.904 1028 H TRP 44 H TRP 44 -2.784 7.190 -8.335 1029 HA TRP 44 HA TRP 44 -2.378 6.181 -11.091 1030 HB2 TRP 44 2HB TRP 44 -4.946 6.849 -9.553 1031 HB3 TRP 44 1HB TRP 44 -4.906 6.481 -11.270 1032 HD1 TRP 44 HD1 TRP 44 -4.848 4.792 -7.848 1033 HE1 TRP 44 HE1 TRP 44 -5.163 2.248 -8.206 1034 HE3 TRP 44 HE3 TRP 44 -4.344 4.571 -12.932 1035 HZ2 TRP 44 HZ2 TRP 44 -5.175 0.416 -10.309 1036 HZ3 TRP 44 HZ3 TRP 44 -4.520 2.382 -14.040 1037 HH2 TRP 44 HH2 TRP 44 -4.928 0.339 -12.752 1038 H SER 45 H SER 45 -3.375 7.654 -12.739 1039 HA SER 45 HA SER 45 -3.072 10.496 -12.284 1040 HB2 SER 45 2HB SER 45 -4.139 10.695 -14.564 1041 HB3 SER 45 1HB SER 45 -2.752 9.617 -14.538 1042 HG SER 45 HG SER 45 -4.692 8.888 -15.683 1043 HA PRO 46 HA PRO 46 -7.383 11.523 -10.973 1044 HB2 PRO 46 2HB PRO 46 -7.683 13.339 -13.329 1045 HB3 PRO 46 1HB PRO 46 -7.809 13.710 -11.599 1046 HG2 PRO 46 2HG PRO 46 -5.704 14.458 -13.167 1047 HG3 PRO 46 1HG PRO 46 -5.598 14.243 -11.409 1048 HD2 PRO 46 2HD PRO 46 -4.511 12.532 -13.578 1049 HD3 PRO 46 1HD PRO 46 -4.005 12.663 -11.880 1050 H ASP 47 H ASP 47 -6.600 11.051 -14.369 1051 HA ASP 47 HA ASP 47 -9.188 10.261 -15.268 1052 HB2 ASP 47 2HB ASP 47 -6.470 9.805 -16.600 1053 HB3 ASP 47 1HB ASP 47 -8.041 9.742 -17.397 1054 H HIS 48 H HIS 48 -6.736 8.605 -13.528 1055 HA HIS 48 HA HIS 48 -6.444 6.523 -12.776 1056 HB2 HIS 48 2HB HIS 48 -9.358 6.332 -13.561 1057 HB3 HIS 48 1HB HIS 48 -8.535 5.000 -12.765 1058 HD1 HIS 48 HD1 HIS 48 -10.948 6.872 -11.692 1059 HD2 HIS 48 HD2 HIS 48 -6.998 6.877 -10.415 1060 HE1 HIS 48 HE1 HIS 48 -11.001 7.705 -9.333 1061 HE2 HIS 48 HE2 HIS 48 -8.650 7.418 -8.507 1062 H GLU 49 H GLU 49 -5.976 7.058 -15.717 1063 HA GLU 49 HA GLU 49 -5.891 4.242 -16.653 1064 HB2 GLU 49 2HB GLU 49 -6.098 5.035 -18.934 1065 HB3 GLU 49 1HB GLU 49 -7.419 5.678 -17.978 1066 HG2 GLU 49 2HG GLU 49 -6.890 7.607 -19.104 1067 HG3 GLU 49 1HG GLU 49 -5.743 7.789 -17.786 1068 H LYS 50 H LYS 50 -4.047 6.641 -15.407 1069 HA LYS 50 HA LYS 50 -1.545 5.476 -16.492 1070 HB2 LYS 50 2HB LYS 50 -2.079 8.160 -15.175 1071 HB3 LYS 50 1HB LYS 50 -0.462 7.541 -15.426 1072 HG2 LYS 50 2HG LYS 50 -2.301 7.913 -17.775 1073 HG3 LYS 50 1HG LYS 50 -1.510 9.311 -17.057 1074 HD2 LYS 50 2HD LYS 50 -0.144 8.628 -18.881 1075 HD3 LYS 50 1HD LYS 50 0.709 8.129 -17.421 1076 HE2 LYS 50 2HE LYS 50 0.817 6.406 -19.177 1077 HE3 LYS 50 1HE LYS 50 -0.058 5.809 -17.769 1078 HZ1 LYS 50 3HZ LYS 50 -2.138 6.238 -18.919 1079 HZ2 LYS 50 1HZ LYS 50 -1.146 5.217 -19.837 1080 HZ3 LYS 50 2HZ LYS 50 -1.298 6.843 -20.255 1081 H MET 51 H MET 51 -0.229 4.455 -15.005 1082 HA MET 51 HA MET 51 -0.968 4.528 -12.125 1083 HB2 MET 51 2HB MET 51 -0.592 2.084 -11.980 1084 HB3 MET 51 1HB MET 51 -1.914 2.466 -13.068 1085 HG2 MET 51 2HG MET 51 -0.458 2.056 -15.004 1086 HG3 MET 51 1HG MET 51 0.894 1.711 -13.920 1087 HE1 MET 51 3HE MET 51 -0.035 -1.832 -15.419 1088 HE2 MET 51 1HE MET 51 1.259 -0.654 -15.205 1089 HE3 MET 51 2HE MET 51 -0.106 -0.284 -16.262 1090 H GLY 52 H GLY 52 0.823 3.667 -10.730 1091 HA2 GLY 52 2HA GLY 52 3.513 3.572 -11.874 1092 HA3 GLY 52 1HA GLY 52 3.165 4.944 -10.823 1093 H LYS 53 H LYS 53 4.355 4.464 -9.029 1094 HA LYS 53 HA LYS 53 4.996 1.870 -8.148 1095 HB2 LYS 53 2HB LYS 53 5.167 4.528 -6.664 1096 HB3 LYS 53 1HB LYS 53 5.731 3.012 -5.980 1097 HG2 LYS 53 2HG LYS 53 7.669 4.060 -6.829 1098 HG3 LYS 53 1HG LYS 53 7.279 2.789 -7.990 1099 HD2 LYS 53 2HD LYS 53 7.929 4.828 -9.173 1100 HD3 LYS 53 1HD LYS 53 6.221 4.494 -9.473 1101 HE2 LYS 53 2HE LYS 53 5.615 6.179 -7.747 1102 HE3 LYS 53 1HE LYS 53 7.330 6.515 -7.490 1103 HZ1 LYS 53 3HZ LYS 53 6.368 8.132 -8.952 1104 HZ2 LYS 53 1HZ LYS 53 5.829 6.930 -10.012 1105 HZ3 LYS 53 2HZ LYS 53 7.482 7.193 -9.805 1106 H GLY 54 H GLY 54 3.763 0.401 -7.130 1107 HA2 GLY 54 2HA GLY 54 2.230 0.833 -4.859 1108 HA3 GLY 54 1HA GLY 54 1.160 0.844 -6.252 1109 H ILE 55 H ILE 55 0.407 -1.057 -4.846 1110 HA ILE 55 HA ILE 55 1.630 -3.545 -5.754 1111 HB ILE 55 HB ILE 55 2.988 -2.963 -3.788 1112 HG12 ILE 55 2HG1 ILE 55 1.090 -5.269 -3.164 1113 HG13 ILE 55 1HG1 ILE 55 2.517 -5.360 -4.190 1114 HG21 ILE 55 1HG2 ILE 55 1.397 -1.509 -2.609 1115 HG22 ILE 55 2HG2 ILE 55 2.056 -2.738 -1.528 1116 HG23 ILE 55 3HG2 ILE 55 0.421 -2.917 -2.170 1117 HD11 ILE 55 3HD1 ILE 55 2.975 -6.300 -2.046 1118 HD12 ILE 55 1HD1 ILE 55 2.481 -4.818 -1.229 1119 HD13 ILE 55 2HD1 ILE 55 3.919 -4.830 -2.255 1120 H THR 56 H THR 56 0.332 -5.343 -5.457 1121 HA THR 56 HA THR 56 -2.555 -4.847 -5.149 1122 HB THR 56 HB THR 56 -2.713 -7.262 -6.076 1123 HG1 THR 56 HG1 THR 56 -0.387 -7.641 -5.582 1124 HG21 THR 56 3HG2 THR 56 -2.334 -6.585 -8.410 1125 HG22 THR 56 1HG2 THR 56 -1.442 -5.161 -7.866 1126 HG23 THR 56 2HG2 THR 56 -3.166 -5.316 -7.513 1127 H LEU 57 H LEU 57 -3.733 -5.846 -3.612 1128 HA LEU 57 HA LEU 57 -2.511 -7.707 -1.698 1129 HB2 LEU 57 2HB LEU 57 -4.568 -5.527 -1.076 1130 HB3 LEU 57 1HB LEU 57 -3.880 -6.660 0.078 1131 HG LEU 57 HG LEU 57 -2.398 -4.388 -1.313 1132 HD11 LEU 57 1HD1 LEU 57 -2.230 -3.391 0.915 1133 HD12 LEU 57 2HD1 LEU 57 -3.184 -4.710 1.599 1134 HD13 LEU 57 3HD1 LEU 57 -3.912 -3.597 0.435 1135 HD21 LEU 57 3HD2 LEU 57 -0.467 -4.969 0.104 1136 HD22 LEU 57 1HD2 LEU 57 -0.881 -6.274 -1.006 1137 HD23 LEU 57 2HD2 LEU 57 -1.327 -6.394 0.699 1138 H SER 58 H SER 58 -3.664 -9.556 -1.647 1139 HA SER 58 HA SER 58 -6.264 -9.772 -2.989 1140 HB2 SER 58 2HB SER 58 -4.655 -11.951 -1.577 1141 HB3 SER 58 1HB SER 58 -6.042 -12.186 -2.649 1142 HG SER 58 HG SER 58 -3.398 -11.636 -3.253 1143 H GLU 59 H GLU 59 -7.909 -11.219 -1.603 1144 HA GLU 59 HA GLU 59 -8.801 -9.538 0.453 1145 HB2 GLU 59 2HB GLU 59 -9.628 -12.405 -0.137 1146 HB3 GLU 59 1HB GLU 59 -10.534 -11.264 0.863 1147 HG2 GLU 59 2HG GLU 59 -10.764 -9.762 -1.107 1148 HG3 GLU 59 1HG GLU 59 -9.926 -10.963 -2.096 1149 H GLU 60 H GLU 60 -6.858 -12.505 0.626 1150 HA GLU 60 HA GLU 60 -6.780 -12.894 3.395 1151 HB2 GLU 60 2HB GLU 60 -4.506 -13.370 1.411 1152 HB3 GLU 60 1HB GLU 60 -4.601 -14.035 3.038 1153 HG2 GLU 60 2HG GLU 60 -6.652 -15.286 2.361 1154 HG3 GLU 60 1HG GLU 60 -6.440 -14.683 0.718 1155 H GLU 61 H GLU 61 -4.456 -11.041 1.353 1156 HA GLU 61 HA GLU 61 -2.769 -10.148 3.401 1157 HB2 GLU 61 2HB GLU 61 -3.337 -8.902 0.676 1158 HB3 GLU 61 1HB GLU 61 -2.081 -8.323 1.758 1159 HG2 GLU 61 2HG GLU 61 -0.882 -9.649 0.306 1160 HG3 GLU 61 1HG GLU 61 -1.163 -10.742 1.656 1161 H PHE 62 H PHE 62 -5.389 -8.391 1.748 1162 HA PHE 62 HA PHE 62 -5.229 -6.023 3.264 1163 HB2 PHE 62 2HB PHE 62 -6.290 -6.266 0.991 1164 HB3 PHE 62 1HB PHE 62 -7.649 -7.079 1.755 1165 HD1 PHE 62 HD2 PHE 62 -5.753 -3.866 1.692 1166 HD2 PHE 62 HD1 PHE 62 -9.443 -5.791 2.688 1167 HE1 PHE 62 HE2 PHE 62 -6.797 -1.677 2.100 1168 HE2 PHE 62 HE1 PHE 62 -10.469 -3.600 3.086 1169 HZ PHE 62 HZ PHE 62 -9.157 -1.544 2.795 1170 H GLY 63 H GLY 63 -7.218 -9.005 3.701 1171 HA2 GLY 63 2HA GLY 63 -8.746 -8.234 5.882 1172 HA3 GLY 63 1HA GLY 63 -8.138 -9.857 5.594 1173 H VAL 64 H VAL 64 -5.510 -9.778 5.930 1174 HA VAL 64 HA VAL 64 -4.976 -9.703 8.660 1175 HB VAL 64 HB VAL 64 -2.984 -9.449 6.358 1176 HG11 VAL 64 1HG1 VAL 64 -1.271 -10.321 7.908 1177 HG12 VAL 64 2HG1 VAL 64 -2.445 -10.297 9.228 1178 HG13 VAL 64 3HG1 VAL 64 -1.920 -8.785 8.479 1179 HG21 VAL 64 3HG2 VAL 64 -2.678 -11.878 6.538 1180 HG22 VAL 64 1HG2 VAL 64 -4.364 -11.487 6.189 1181 HG23 VAL 64 2HG2 VAL 64 -3.887 -11.949 7.822 1182 H LEU 65 H LEU 65 -4.393 -7.227 6.132 1183 HA LEU 65 HA LEU 65 -2.972 -5.331 7.558 1184 HB2 LEU 65 2HB LEU 65 -3.468 -5.360 5.074 1185 HB3 LEU 65 1HB LEU 65 -5.087 -4.793 5.440 1186 HG LEU 65 HG LEU 65 -3.995 -2.714 6.501 1187 HD11 LEU 65 1HD1 LEU 65 -1.525 -3.757 5.095 1188 HD12 LEU 65 2HD1 LEU 65 -1.751 -3.608 6.839 1189 HD13 LEU 65 3HD1 LEU 65 -1.712 -2.162 5.835 1190 HD21 LEU 65 3HD2 LEU 65 -3.550 -3.162 3.536 1191 HD22 LEU 65 1HD2 LEU 65 -3.642 -1.597 4.353 1192 HD23 LEU 65 2HD2 LEU 65 -5.058 -2.643 4.292 1193 H LEU 66 H LEU 66 -6.549 -5.504 7.075 1194 HA LEU 66 HA LEU 66 -7.267 -3.271 8.637 1195 HB2 LEU 66 2HB LEU 66 -8.881 -5.792 8.074 1196 HB3 LEU 66 1HB LEU 66 -9.548 -4.287 8.697 1197 HG LEU 66 HG LEU 66 -8.300 -4.687 5.951 1198 HD11 LEU 66 1HD1 LEU 66 -11.182 -4.189 6.744 1199 HD12 LEU 66 2HD1 LEU 66 -10.511 -5.709 6.148 1200 HD13 LEU 66 3HD1 LEU 66 -10.554 -4.299 5.096 1201 HD21 LEU 66 3HD2 LEU 66 -9.503 -2.183 7.173 1202 HD22 LEU 66 1HD2 LEU 66 -9.014 -2.380 5.484 1203 HD23 LEU 66 2HD2 LEU 66 -7.805 -2.445 6.760 1204 H LYS 67 H LYS 67 -7.013 -6.704 9.496 1205 HA LYS 67 HA LYS 67 -7.989 -6.698 12.114 1206 HB2 LYS 67 2HB LYS 67 -5.858 -8.427 10.784 1207 HB3 LYS 67 1HB LYS 67 -6.560 -8.794 12.358 1208 HG2 LYS 67 2HG LYS 67 -8.692 -9.254 11.441 1209 HG3 LYS 67 1HG LYS 67 -8.311 -8.456 9.915 1210 HD2 LYS 67 2HD LYS 67 -8.375 -10.923 9.703 1211 HD3 LYS 67 1HD LYS 67 -6.801 -10.254 9.288 1212 HE2 LYS 67 2HE LYS 67 -5.835 -11.035 11.341 1213 HE3 LYS 67 1HE LYS 67 -7.419 -11.457 12.007 1214 HZ1 LYS 67 3HZ LYS 67 -6.106 -12.756 9.673 1215 HZ2 LYS 67 1HZ LYS 67 -7.636 -13.150 10.275 1216 HZ3 LYS 67 2HZ LYS 67 -6.258 -13.420 11.222 1217 H GLU 68 H GLU 68 -4.604 -6.556 11.037 1218 HA GLU 68 HA GLU 68 -3.549 -6.247 13.661 1219 HB2 GLU 68 2HB GLU 68 -2.185 -5.831 10.975 1220 HB3 GLU 68 1HB GLU 68 -1.374 -6.032 12.524 1221 HG2 GLU 68 2HG GLU 68 -3.088 -8.127 11.151 1222 HG3 GLU 68 1HG GLU 68 -1.326 -8.080 11.130 1223 H LEU 69 H LEU 69 -4.396 -3.966 11.076 1224 HA LEU 69 HA LEU 69 -3.228 -1.644 12.184 1225 HB2 LEU 69 2HB LEU 69 -5.673 -1.961 10.412 1226 HB3 LEU 69 1HB LEU 69 -5.084 -0.387 10.923 1227 HG LEU 69 HG LEU 69 -3.520 -2.370 9.217 1228 HD11 LEU 69 1HD1 LEU 69 -3.875 -0.796 7.392 1229 HD12 LEU 69 2HD1 LEU 69 -4.875 0.217 8.437 1230 HD13 LEU 69 3HD1 LEU 69 -5.410 -1.411 8.004 1231 HD21 LEU 69 3HD2 LEU 69 -2.832 0.477 9.992 1232 HD22 LEU 69 1HD2 LEU 69 -1.918 -0.561 8.890 1233 HD23 LEU 69 2HD2 LEU 69 -2.036 -0.980 10.598 1234 H GLY 70 H GLY 70 -6.475 -3.097 12.564 1235 HA2 GLY 70 2HA GLY 70 -7.596 -1.139 14.273 1236 HA3 GLY 70 1HA GLY 70 -8.127 -2.808 14.115 1237 H ASN 71 H ASN 71 -5.661 -4.001 14.893 1238 HA ASN 71 HA ASN 71 -5.745 -3.986 17.753 1239 HB2 ASN 71 2HB ASN 71 -3.626 -5.075 15.835 1240 HB3 ASN 71 1HB ASN 71 -3.647 -5.386 17.570 1241 HD21 ASN 71 1HD2 ASN 71 -3.812 -7.268 15.355 1242 HD22 ASN 71 2HD2 ASN 71 -5.286 -8.139 15.568 1243 H LYS 72 H LYS 72 -2.998 -3.123 15.681 1244 HA LYS 72 HA LYS 72 -1.520 -1.477 17.270 1245 HB2 LYS 72 2HB LYS 72 -1.843 -1.312 14.257 1246 HB3 LYS 72 1HB LYS 72 -0.559 -0.504 15.153 1247 HG2 LYS 72 2HG LYS 72 0.339 -2.663 15.890 1248 HG3 LYS 72 1HG LYS 72 -1.008 -3.510 15.124 1249 HD2 LYS 72 2HD LYS 72 1.007 -3.646 13.728 1250 HD3 LYS 72 1HD LYS 72 -0.263 -2.732 12.907 1251 HE2 LYS 72 2HE LYS 72 1.936 -1.665 12.617 1252 HE3 LYS 72 1HE LYS 72 0.859 -0.615 13.537 1253 HZ1 LYS 72 3HZ LYS 72 1.953 -1.373 15.573 1254 HZ2 LYS 72 1HZ LYS 72 3.067 -0.680 14.504 1255 HZ3 LYS 72 2HZ LYS 72 2.983 -2.357 14.673 1256 H LEU 73 H LEU 73 -4.640 -0.543 16.110 1257 HA LEU 73 HA LEU 73 -4.216 2.303 16.298 1258 HB2 LEU 73 2HB LEU 73 -6.768 0.655 16.207 1259 HB3 LEU 73 1HB LEU 73 -6.784 2.400 16.389 1260 HG LEU 73 HG LEU 73 -5.751 0.848 13.986 1261 HD11 LEU 73 1HD1 LEU 73 -7.534 1.949 12.750 1262 HD12 LEU 73 2HD1 LEU 73 -8.082 2.759 14.220 1263 HD13 LEU 73 3HD1 LEU 73 -8.189 0.999 14.083 1264 HD21 LEU 73 3HD2 LEU 73 -4.295 2.771 14.340 1265 HD22 LEU 73 1HD2 LEU 73 -5.692 3.843 14.447 1266 HD23 LEU 73 2HD2 LEU 73 -5.312 3.029 12.927 1267 H GLU 74 H GLU 74 -4.001 0.024 18.615 1268 HA GLU 74 HA GLU 74 -5.081 1.228 20.922 1269 HB2 GLU 74 2HB GLU 74 -3.276 0.046 22.155 1270 HB3 GLU 74 1HB GLU 74 -4.066 -1.017 20.997 1271 HG2 GLU 74 2HG GLU 74 -2.174 -0.776 19.440 1272 HG3 GLU 74 1HG GLU 74 -1.384 0.350 20.543 1273 H HIS 75 H HIS 75 -2.066 1.728 19.123 1274 HA HIS 75 HA HIS 75 -1.168 4.020 20.610 1275 HB2 HIS 75 2HB HIS 75 0.422 2.614 19.311 1276 HB3 HIS 75 1HB HIS 75 -0.385 3.079 17.816 1277 HD1 HIS 75 HD1 HIS 75 1.084 5.033 20.747 1278 HD2 HIS 75 HD2 HIS 75 1.120 5.016 16.584 1279 HE1 HIS 75 HE1 HIS 75 2.523 6.968 20.071 1280 HE2 HIS 75 HE2 HIS 75 2.656 6.832 17.570 1281 H HIS 76 H HIS 76 -2.770 5.493 20.720 1282 HA HIS 76 HA HIS 76 -3.567 6.987 18.341 1283 HB2 HIS 76 2HB HIS 76 -5.218 5.042 18.637 1284 HB3 HIS 76 1HB HIS 76 -5.690 5.751 20.176 1285 HD1 HIS 76 HD1 HIS 76 -5.754 6.473 16.468 1286 HD2 HIS 76 HD2 HIS 76 -7.633 7.700 19.948 1287 HE1 HIS 76 HE1 HIS 76 -7.630 7.943 15.721 1288 HE2 HIS 76 HE2 HIS 76 -8.684 8.758 17.853 1289 H HIS 77 H HIS 77 -4.058 9.119 18.865 1290 HA HIS 77 HA HIS 77 -3.083 9.964 21.478 1291 HB2 HIS 77 2HB HIS 77 -2.253 11.019 19.381 1292 HB3 HIS 77 1HB HIS 77 -3.871 11.628 19.049 1293 HD1 HIS 77 HD1 HIS 77 -3.627 14.089 19.334 1294 HD2 HIS 77 HD2 HIS 77 -1.809 12.002 22.439 1295 HE1 HIS 77 HE1 HIS 77 -2.788 15.832 20.933 1296 HE2 HIS 77 HE2 HIS 77 -1.487 14.552 22.650 1297 H HIS 78 H HIS 78 -5.711 11.518 19.637 1298 HA HIS 78 HA HIS 78 -7.656 11.057 21.808 1299 HB2 HIS 78 2HB HIS 78 -7.000 13.765 20.547 1300 HB3 HIS 78 1HB HIS 78 -8.390 13.461 21.582 1301 HD1 HIS 78 HD1 HIS 78 -5.307 15.015 21.805 1302 HD2 HIS 78 HD2 HIS 78 -7.227 12.249 24.231 1303 HE1 HIS 78 HE1 HIS 78 -4.229 15.233 24.059 1304 HE2 HIS 78 HE2 HIS 78 -5.244 13.382 25.412 1305 H HIS 79 H HIS 79 -9.672 12.759 20.398 1306 HA HIS 79 HA HIS 79 -10.588 11.099 18.332 1307 HB2 HIS 79 2HB HIS 79 -12.180 12.833 17.743 1308 HB3 HIS 79 1HB HIS 79 -12.033 12.785 19.490 1309 HD1 HIS 79 HD1 HIS 79 -11.533 14.969 20.645 1310 HD2 HIS 79 HD2 HIS 79 -10.913 15.169 16.540 1311 HE1 HIS 79 HE1 HIS 79 -11.200 17.401 20.117 1312 HE2 HIS 79 HE2 HIS 79 -10.637 17.457 17.676 1313 H HIS 80 H HIS 80 -8.354 13.888 18.267 1314 HA HIS 80 HA HIS 80 -6.973 12.597 16.106 1315 HB2 HIS 80 2HB HIS 80 -8.367 14.136 14.774 1316 HB3 HIS 80 1HB HIS 80 -7.996 15.477 15.848 1317 HD1 HIS 80 HD1 HIS 80 -5.791 16.689 15.519 1318 HD2 HIS 80 HD2 HIS 80 -6.237 13.444 12.972 1319 HE1 HIS 80 HE1 HIS 80 -3.966 16.928 13.810 1320 HE2 HIS 80 HE2 HIS 80 -4.418 15.085 12.167 Start of MODEL 13 1 H1 MET 1 1H MET 1 15.168 14.650 -10.292 2 H2 MET 1 2H MET 1 15.336 14.376 -8.637 3 H3 MET 1 3H MET 1 15.527 13.102 -9.722 4 HA MET 1 HA MET 1 17.466 14.153 -10.673 5 HB2 MET 1 2HB MET 1 17.003 16.213 -8.466 6 HB3 MET 1 1HB MET 1 18.482 16.112 -9.422 7 HG2 MET 1 2HG MET 1 17.030 17.878 -10.269 8 HG3 MET 1 1HG MET 1 17.184 16.593 -11.470 9 HE1 MET 1 3HE MET 1 13.525 17.672 -12.190 10 HE2 MET 1 1HE MET 1 15.102 17.289 -12.879 11 HE3 MET 1 2HE MET 1 14.907 18.715 -11.855 12 H ALA 2 H ALA 2 16.353 12.398 -8.283 13 HA ALA 2 HA ALA 2 18.624 12.082 -6.547 14 HB1 ALA 2 3HB ALA 2 16.365 11.502 -5.784 15 HB2 ALA 2 1HB ALA 2 17.406 10.083 -5.721 16 HB3 ALA 2 2HB ALA 2 16.230 10.261 -7.028 17 H ASP 3 H ASP 3 20.489 11.042 -7.090 18 HA ASP 3 HA ASP 3 20.676 9.368 -9.441 19 HB2 ASP 3 2HB ASP 3 23.063 9.114 -8.869 20 HB3 ASP 3 1HB ASP 3 22.585 10.804 -8.843 21 H LYS 4 H LYS 4 21.291 8.700 -5.899 22 HA LYS 4 HA LYS 4 19.496 6.393 -6.064 23 HB2 LYS 4 2HB LYS 4 21.789 5.488 -6.427 24 HB3 LYS 4 1HB LYS 4 22.368 6.324 -4.991 25 HG2 LYS 4 2HG LYS 4 20.703 4.898 -3.649 26 HG3 LYS 4 1HG LYS 4 20.465 3.957 -5.126 27 HD2 LYS 4 2HD LYS 4 22.106 2.836 -3.705 28 HD3 LYS 4 1HD LYS 4 22.916 3.437 -5.155 29 HE2 LYS 4 2HE LYS 4 23.750 5.387 -3.856 30 HE3 LYS 4 1HE LYS 4 22.945 4.760 -2.414 31 HZ1 LYS 4 3HZ LYS 4 24.352 2.811 -2.500 32 HZ2 LYS 4 1HZ LYS 4 25.301 4.201 -2.460 33 HZ3 LYS 4 2HZ LYS 4 25.099 3.363 -3.913 34 H LEU 5 H LEU 5 18.449 6.029 -4.044 35 HA LEU 5 HA LEU 5 19.068 7.928 -1.837 36 HB2 LEU 5 2HB LEU 5 16.417 6.519 -2.364 37 HB3 LEU 5 1HB LEU 5 16.743 7.691 -1.097 38 HG LEU 5 HG LEU 5 16.551 8.252 -4.085 39 HD11 LEU 5 1HD1 LEU 5 14.388 7.958 -2.984 40 HD12 LEU 5 2HD1 LEU 5 14.627 9.633 -3.474 41 HD13 LEU 5 3HD1 LEU 5 14.818 9.177 -1.779 42 HD21 LEU 5 3HD2 LEU 5 16.918 10.619 -3.550 43 HD22 LEU 5 1HD2 LEU 5 18.325 9.641 -3.143 44 HD23 LEU 5 2HD2 LEU 5 17.242 10.201 -1.866 45 H LYS 6 H LYS 6 19.403 6.956 0.242 46 HA LYS 6 HA LYS 6 19.547 4.169 0.571 47 HB2 LYS 6 2HB LYS 6 19.057 6.323 2.682 48 HB3 LYS 6 1HB LYS 6 19.595 4.680 3.013 49 HG2 LYS 6 2HG LYS 6 21.141 6.775 1.460 50 HG3 LYS 6 1HG LYS 6 21.440 6.310 3.135 51 HD2 LYS 6 2HD LYS 6 21.641 4.420 0.761 52 HD3 LYS 6 1HD LYS 6 23.015 5.273 1.475 53 HE2 LYS 6 2HE LYS 6 21.252 3.276 2.939 54 HE3 LYS 6 1HE LYS 6 22.855 2.943 2.288 55 HZ1 LYS 6 3HZ LYS 6 22.254 4.932 4.413 56 HZ2 LYS 6 1HZ LYS 6 23.786 4.568 3.796 57 HZ3 LYS 6 2HZ LYS 6 22.921 3.401 4.656 58 H PHE 7 H PHE 7 18.136 2.751 1.622 59 HA PHE 7 HA PHE 7 15.473 3.667 2.439 60 HB2 PHE 7 2HB PHE 7 14.533 1.502 1.457 61 HB3 PHE 7 1HB PHE 7 15.001 2.699 0.267 62 HD1 PHE 7 HD1 PHE 7 17.077 2.339 -1.133 63 HD2 PHE 7 HD2 PHE 7 15.619 -0.652 1.551 64 HE1 PHE 7 HE1 PHE 7 18.464 0.640 -2.266 65 HE2 PHE 7 HE2 PHE 7 17.002 -2.344 0.411 66 HZ PHE 7 HZ PHE 7 18.422 -1.698 -1.489 67 H GLU 8 H GLU 8 15.289 3.095 4.546 68 HA GLU 8 HA GLU 8 16.903 0.851 5.594 69 HB2 GLU 8 2HB GLU 8 18.257 2.920 5.863 70 HB3 GLU 8 1HB GLU 8 16.928 3.698 6.718 71 HG2 GLU 8 2HG GLU 8 17.142 2.157 8.585 72 HG3 GLU 8 1HG GLU 8 18.320 1.181 7.710 73 H ILE 9 H ILE 9 15.716 -0.340 6.954 74 HA ILE 9 HA ILE 9 12.942 0.467 7.367 75 HB ILE 9 HB ILE 9 14.360 -2.208 7.795 76 HG12 ILE 9 2HG1 ILE 9 12.359 -1.142 5.755 77 HG13 ILE 9 1HG1 ILE 9 14.000 -1.681 5.451 78 HG21 ILE 9 1HG2 ILE 9 12.611 -1.994 9.527 79 HG22 ILE 9 2HG2 ILE 9 12.156 -3.196 8.318 80 HG23 ILE 9 3HG2 ILE 9 11.422 -1.593 8.283 81 HD11 ILE 9 3HD1 ILE 9 13.294 -3.993 5.928 82 HD12 ILE 9 1HD1 ILE 9 12.417 -3.255 4.590 83 HD13 ILE 9 2HD1 ILE 9 11.640 -3.419 6.163 84 H ILE 10 H ILE 10 12.502 1.598 9.025 85 HA ILE 10 HA ILE 10 14.188 1.862 11.374 86 HB ILE 10 HB ILE 10 11.524 3.222 10.709 87 HG12 ILE 10 2HG1 ILE 10 13.192 3.803 9.007 88 HG13 ILE 10 1HG1 ILE 10 12.883 5.198 10.032 89 HG21 ILE 10 1HG2 ILE 10 13.604 3.973 12.805 90 HG22 ILE 10 2HG2 ILE 10 12.004 3.290 13.114 91 HG23 ILE 10 3HG2 ILE 10 12.151 4.898 12.410 92 HD11 ILE 10 3HD1 ILE 10 15.005 4.733 11.235 93 HD12 ILE 10 1HD1 ILE 10 15.224 5.041 9.512 94 HD13 ILE 10 2HD1 ILE 10 15.300 3.392 10.124 95 H GLU 11 H GLU 11 11.062 0.534 10.376 96 HA GLU 11 HA GLU 11 10.883 -1.132 12.760 97 HB2 GLU 11 2HB GLU 11 9.799 1.028 13.457 98 HB3 GLU 11 1HB GLU 11 8.656 0.874 12.126 99 HG2 GLU 11 2HG GLU 11 7.645 0.198 14.258 100 HG3 GLU 11 1HG GLU 11 7.727 -1.162 13.138 101 H GLU 12 H GLU 12 9.597 -2.937 12.417 102 HA GLU 12 HA GLU 12 8.273 -3.284 9.784 103 HB2 GLU 12 2HB GLU 12 9.093 -5.305 11.913 104 HB3 GLU 12 1HB GLU 12 8.203 -5.718 10.450 105 HG2 GLU 12 2HG GLU 12 10.094 -5.026 9.058 106 HG3 GLU 12 1HG GLU 12 10.976 -4.493 10.491 107 H LEU 13 H LEU 13 6.030 -3.325 9.692 108 HA LEU 13 HA LEU 13 4.672 -2.842 12.303 109 HB2 LEU 13 2HB LEU 13 3.701 -2.180 9.495 110 HB3 LEU 13 1HB LEU 13 2.871 -1.778 10.989 111 HG LEU 13 HG LEU 13 5.517 -0.618 10.027 112 HD11 LEU 13 1HD1 LEU 13 4.278 1.512 9.913 113 HD12 LEU 13 2HD1 LEU 13 2.786 0.667 10.334 114 HD13 LEU 13 3HD1 LEU 13 3.620 0.294 8.825 115 HD21 LEU 13 3HD2 LEU 13 5.441 0.842 12.001 116 HD22 LEU 13 1HD2 LEU 13 5.600 -0.856 12.443 117 HD23 LEU 13 2HD2 LEU 13 4.041 -0.045 12.608 118 H ILE 14 H ILE 14 3.982 -4.404 9.175 119 HA ILE 14 HA ILE 14 2.438 -6.582 10.426 120 HB ILE 14 HB ILE 14 1.251 -4.938 8.102 121 HG12 ILE 14 2HG1 ILE 14 0.367 -4.700 11.016 122 HG13 ILE 14 1HG1 ILE 14 1.350 -3.505 10.186 123 HG21 ILE 14 1HG2 ILE 14 -0.835 -6.140 8.636 124 HG22 ILE 14 2HG2 ILE 14 -0.034 -6.975 9.968 125 HG23 ILE 14 3HG2 ILE 14 0.472 -7.280 8.304 126 HD11 ILE 14 3HD1 ILE 14 -0.960 -2.802 10.296 127 HD12 ILE 14 1HD1 ILE 14 -1.486 -4.262 9.456 128 HD13 ILE 14 2HD1 ILE 14 -0.485 -3.069 8.622 129 H VAL 15 H VAL 15 3.122 -8.479 9.356 130 HA VAL 15 HA VAL 15 3.970 -8.320 6.530 131 HB VAL 15 HB VAL 15 3.889 -10.763 8.370 132 HG11 VAL 15 1HG1 VAL 15 5.193 -11.924 6.611 133 HG12 VAL 15 2HG1 VAL 15 5.045 -10.514 5.560 134 HG13 VAL 15 3HG1 VAL 15 3.606 -11.432 6.012 135 HG21 VAL 15 3HG2 VAL 15 5.603 -9.175 9.076 136 HG22 VAL 15 1HG2 VAL 15 6.244 -9.088 7.431 137 HG23 VAL 15 2HG2 VAL 15 6.363 -10.593 8.353 138 H LEU 16 H LEU 16 2.556 -8.615 4.957 139 HA LEU 16 HA LEU 16 -0.234 -9.237 5.621 140 HB2 LEU 16 2HB LEU 16 0.981 -8.124 3.059 141 HB3 LEU 16 1HB LEU 16 -0.733 -8.227 3.427 142 HG LEU 16 HG LEU 16 1.248 -6.521 4.987 143 HD11 LEU 16 1HD1 LEU 16 1.003 -5.623 2.732 144 HD12 LEU 16 2HD1 LEU 16 0.239 -4.565 3.914 145 HD13 LEU 16 3HD1 LEU 16 -0.755 -5.615 2.897 146 HD21 LEU 16 3HD2 LEU 16 -0.644 -7.245 6.339 147 HD22 LEU 16 1HD2 LEU 16 -1.776 -6.632 5.128 148 HD23 LEU 16 2HD2 LEU 16 -0.730 -5.517 6.014 149 H SER 17 H SER 17 2.490 -10.528 3.836 150 HA SER 17 HA SER 17 1.565 -13.138 3.647 151 HB2 SER 17 2HB SER 17 -0.038 -12.194 1.923 152 HB3 SER 17 1HB SER 17 1.348 -11.750 0.928 153 HG SER 17 HG SER 17 0.202 -14.227 1.393 154 H GLU 18 H GLU 18 2.987 -14.484 2.240 155 HA GLU 18 HA GLU 18 5.737 -13.400 1.943 156 HB2 GLU 18 2HB GLU 18 5.627 -14.336 4.187 157 HB3 GLU 18 1HB GLU 18 4.896 -15.823 3.596 158 HG2 GLU 18 2HG GLU 18 6.988 -16.434 2.462 159 HG3 GLU 18 1HG GLU 18 7.715 -14.904 2.940 160 H ASN 19 H ASN 19 6.958 -14.334 0.296 161 HA ASN 19 HA ASN 19 5.389 -15.916 -1.681 162 HB2 ASN 19 2HB ASN 19 6.326 -13.811 -2.463 163 HB3 ASN 19 1HB ASN 19 7.928 -14.255 -1.916 164 HD21 ASN 19 1HD2 ASN 19 9.253 -15.316 -3.305 165 HD22 ASN 19 2HD2 ASN 19 8.823 -15.783 -4.913 166 H ALA 20 H ALA 20 6.775 -17.540 -3.081 167 HA ALA 20 HA ALA 20 7.682 -19.653 -1.469 168 HB1 ALA 20 3HB ALA 20 8.338 -20.746 -3.573 169 HB2 ALA 20 1HB ALA 20 8.163 -19.212 -4.432 170 HB3 ALA 20 2HB ALA 20 6.754 -19.984 -3.710 171 H LYS 21 H LYS 21 9.636 -17.409 -3.522 172 HA LYS 21 HA LYS 21 12.165 -18.100 -2.360 173 HB2 LYS 21 2HB LYS 21 11.205 -15.748 -4.039 174 HB3 LYS 21 1HB LYS 21 12.854 -15.822 -3.435 175 HG2 LYS 21 2HG LYS 21 11.574 -17.899 -5.240 176 HG3 LYS 21 1HG LYS 21 12.658 -16.607 -5.770 177 HD2 LYS 21 2HD LYS 21 14.477 -17.524 -4.429 178 HD3 LYS 21 1HD LYS 21 13.412 -18.761 -3.760 179 HE2 LYS 21 2HE LYS 21 14.094 -18.527 -6.708 180 HE3 LYS 21 1HE LYS 21 14.931 -19.585 -5.569 181 HZ1 LYS 21 3HZ LYS 21 13.245 -20.809 -6.743 182 HZ2 LYS 21 1HZ LYS 21 12.053 -19.709 -6.275 183 HZ3 LYS 21 2HZ LYS 21 12.805 -20.680 -5.119 184 H GLY 22 H GLY 22 9.585 -16.574 -0.970 185 HA2 GLY 22 2HA GLY 22 9.673 -16.184 1.376 186 HA3 GLY 22 1HA GLY 22 11.245 -15.430 1.186 187 H TRP 23 H TRP 23 10.239 -14.026 -1.284 188 HA TRP 23 HA TRP 23 10.221 -11.507 -0.393 189 HB2 TRP 23 2HB TRP 23 8.823 -12.668 -2.808 190 HB3 TRP 23 1HB TRP 23 8.777 -10.941 -2.497 191 HD1 TRP 23 HD1 TRP 23 11.547 -13.666 -2.901 192 HE1 TRP 23 HE1 TRP 23 13.498 -12.599 -4.173 193 HE3 TRP 23 HE3 TRP 23 9.708 -8.900 -3.349 194 HZ2 TRP 23 HZ2 TRP 23 14.176 -10.049 -5.242 195 HZ3 TRP 23 HZ3 TRP 23 11.062 -7.207 -4.525 196 HH2 TRP 23 HH2 TRP 23 13.253 -7.774 -5.451 197 H ARG 24 H ARG 24 9.043 -10.474 1.124 198 HA ARG 24 HA ARG 24 6.339 -11.443 1.769 199 HB2 ARG 24 2HB ARG 24 8.289 -9.745 3.387 200 HB3 ARG 24 1HB ARG 24 6.673 -10.203 3.919 201 HG2 ARG 24 2HG ARG 24 7.353 -12.579 3.934 202 HG3 ARG 24 1HG ARG 24 8.977 -12.114 3.408 203 HD2 ARG 24 2HD ARG 24 9.285 -10.791 5.458 204 HD3 ARG 24 1HD ARG 24 7.639 -11.180 5.975 205 HE ARG 24 HE ARG 24 9.101 -13.569 5.553 206 HH11 ARG 24 1HH1 ARG 24 8.896 -10.877 7.828 207 HH12 ARG 24 2HH1 ARG 24 9.482 -11.819 9.169 208 HH21 ARG 24 1HH2 ARG 24 9.838 -14.793 7.353 209 HH22 ARG 24 2HH2 ARG 24 10.012 -14.020 8.900 210 H LYS 25 H LYS 25 4.698 -10.215 0.957 211 HA LYS 25 HA LYS 25 5.143 -7.364 0.488 212 HB2 LYS 25 2HB LYS 25 2.797 -7.245 -0.250 213 HB3 LYS 25 1HB LYS 25 3.732 -8.426 -1.149 214 HG2 LYS 25 2HG LYS 25 2.625 -10.255 0.016 215 HG3 LYS 25 1HG LYS 25 1.774 -9.107 1.056 216 HD2 LYS 25 2HD LYS 25 0.336 -9.970 -0.787 217 HD3 LYS 25 1HD LYS 25 0.529 -8.216 -0.844 218 HE2 LYS 25 2HE LYS 25 0.658 -9.244 -3.084 219 HE3 LYS 25 1HE LYS 25 2.172 -8.446 -2.658 220 HZ1 LYS 25 3HZ LYS 25 1.638 -11.367 -2.498 221 HZ2 LYS 25 1HZ LYS 25 3.083 -10.618 -2.054 222 HZ3 LYS 25 2HZ LYS 25 2.578 -10.591 -3.664 223 H GLU 26 H GLU 26 5.264 -6.170 2.153 224 HA GLU 26 HA GLU 26 3.539 -6.593 4.520 225 HB2 GLU 26 2HB GLU 26 5.534 -6.288 5.952 226 HB3 GLU 26 1HB GLU 26 5.739 -7.663 4.873 227 HG2 GLU 26 2HG GLU 26 7.105 -6.182 3.352 228 HG3 GLU 26 1HG GLU 26 6.990 -4.919 4.572 229 H LEU 27 H LEU 27 3.405 -4.808 5.916 230 HA LEU 27 HA LEU 27 4.024 -2.136 4.853 231 HB2 LEU 27 2HB LEU 27 1.650 -2.507 5.416 232 HB3 LEU 27 1HB LEU 27 2.090 -3.081 7.015 233 HG LEU 27 HG LEU 27 2.949 -0.780 7.560 234 HD11 LEU 27 1HD1 LEU 27 3.441 0.047 5.322 235 HD12 LEU 27 2HD1 LEU 27 2.345 1.136 6.168 236 HD13 LEU 27 3HD1 LEU 27 1.720 0.054 4.921 237 HD21 LEU 27 3HD2 LEU 27 0.704 -1.526 8.238 238 HD22 LEU 27 1HD2 LEU 27 0.032 -0.859 6.748 239 HD23 LEU 27 2HD2 LEU 27 0.767 0.208 7.947 240 H ASN 28 H ASN 28 5.773 -1.258 5.723 241 HA ASN 28 HA ASN 28 6.418 -1.563 8.582 242 HB2 ASN 28 2HB ASN 28 8.669 -2.265 8.217 243 HB3 ASN 28 1HB ASN 28 7.725 -3.284 7.142 244 HD21 ASN 28 1HD2 ASN 28 7.748 -2.747 4.853 245 HD22 ASN 28 2HD2 ASN 28 9.104 -1.911 4.188 246 H ARG 29 H ARG 29 8.218 0.134 9.153 247 HA ARG 29 HA ARG 29 7.699 2.624 7.661 248 HB2 ARG 29 2HB ARG 29 8.757 2.189 10.492 249 HB3 ARG 29 1HB ARG 29 8.648 3.765 9.710 250 HG2 ARG 29 2HG ARG 29 6.191 3.516 9.539 251 HG3 ARG 29 1HG ARG 29 6.301 1.938 10.320 252 HD2 ARG 29 2HD ARG 29 5.607 3.575 11.959 253 HD3 ARG 29 1HD ARG 29 7.243 3.048 12.349 254 HE ARG 29 HE ARG 29 6.550 5.642 11.072 255 HH11 ARG 29 1HH1 ARG 29 8.688 3.786 13.196 256 HH12 ARG 29 2HH1 ARG 29 9.657 5.169 13.598 257 HH21 ARG 29 1HH2 ARG 29 7.839 7.418 11.631 258 HH22 ARG 29 2HH2 ARG 29 9.179 7.209 12.720 259 H VAL 30 H VAL 30 9.232 3.386 6.399 260 HA VAL 30 HA VAL 30 12.073 2.574 6.708 261 HB VAL 30 HB VAL 30 10.456 3.006 4.143 262 HG11 VAL 30 1HG1 VAL 30 12.610 4.090 3.764 263 HG12 VAL 30 2HG1 VAL 30 12.523 2.593 2.835 264 HG13 VAL 30 3HG1 VAL 30 13.471 2.654 4.326 265 HG21 VAL 30 3HG2 VAL 30 12.009 0.589 5.120 266 HG22 VAL 30 1HG2 VAL 30 11.158 0.709 3.576 267 HG23 VAL 30 2HG2 VAL 30 10.252 0.760 5.090 268 H SER 31 H SER 31 13.602 4.188 6.454 269 HA SER 31 HA SER 31 12.725 6.987 6.058 270 HB2 SER 31 2HB SER 31 13.925 6.593 8.208 271 HB3 SER 31 1HB SER 31 15.289 5.911 7.325 272 HG SER 31 HG SER 31 14.721 8.497 7.834 273 H TRP 32 H TRP 32 13.267 7.812 4.133 274 HA TRP 32 HA TRP 32 15.078 6.325 2.345 275 HB2 TRP 32 2HB TRP 32 12.927 8.410 1.787 276 HB3 TRP 32 1HB TRP 32 14.030 7.805 0.556 277 HD1 TRP 32 HD1 TRP 32 10.975 6.681 2.648 278 HE1 TRP 32 HE1 TRP 32 9.981 4.569 1.532 279 HE3 TRP 32 HE3 TRP 32 14.640 5.759 -0.815 280 HZ2 TRP 32 HZ2 TRP 32 10.694 2.727 -0.468 281 HZ3 TRP 32 HZ3 TRP 32 14.406 3.803 -2.292 282 HH2 TRP 32 HH2 TRP 32 12.470 2.317 -2.123 283 H ASN 33 H ASN 33 17.069 7.000 2.360 284 HA ASN 33 HA ASN 33 18.958 8.223 2.233 285 HB2 ASN 33 2HB ASN 33 17.093 9.579 0.583 286 HB3 ASN 33 1HB ASN 33 17.793 10.876 1.540 287 HD21 ASN 33 1HD2 ASN 33 18.545 11.587 -0.566 288 HD22 ASN 33 2HD2 ASN 33 19.954 10.894 -1.272 289 H ASP 34 H ASP 34 17.863 7.916 4.741 290 HA ASP 34 HA ASP 34 17.626 8.620 6.871 291 HB2 ASP 34 2HB ASP 34 20.110 8.669 6.472 292 HB3 ASP 34 1HB ASP 34 19.993 10.385 6.108 293 H ALA 35 H ALA 35 15.821 9.920 5.190 294 HA ALA 35 HA ALA 35 15.565 12.678 6.233 295 HB1 ALA 35 3HB ALA 35 14.051 11.240 4.019 296 HB2 ALA 35 1HB ALA 35 15.376 12.386 3.798 297 HB3 ALA 35 2HB ALA 35 13.841 12.932 4.475 298 H GLU 36 H GLU 36 12.821 12.976 6.194 299 HA GLU 36 HA GLU 36 11.708 12.081 8.479 300 HB2 GLU 36 2HB GLU 36 9.473 12.535 7.375 301 HB3 GLU 36 1HB GLU 36 10.672 13.809 7.185 302 HG2 GLU 36 2HG GLU 36 11.194 12.832 4.880 303 HG3 GLU 36 1HG GLU 36 9.781 11.802 5.094 304 HA PRO 37 HA PRO 37 11.146 7.588 7.741 305 HB2 PRO 37 2HB PRO 37 10.227 6.961 10.255 306 HB3 PRO 37 1HB PRO 37 11.940 7.284 9.924 307 HG2 PRO 37 2HG PRO 37 9.871 9.145 11.055 308 HG3 PRO 37 1HG PRO 37 11.537 8.850 11.606 309 HD2 PRO 37 2HD PRO 37 10.900 10.991 10.073 310 HD3 PRO 37 1HD PRO 37 12.473 10.173 9.936 311 H LYS 38 H LYS 38 9.384 6.638 6.813 312 HA LYS 38 HA LYS 38 6.673 7.612 7.387 313 HB2 LYS 38 2HB LYS 38 6.249 7.902 4.950 314 HB3 LYS 38 1HB LYS 38 7.469 9.018 5.549 315 HG2 LYS 38 2HG LYS 38 9.258 7.646 4.577 316 HG3 LYS 38 1HG LYS 38 8.074 6.446 4.048 317 HD2 LYS 38 2HD LYS 38 8.752 7.889 2.172 318 HD3 LYS 38 1HD LYS 38 7.039 8.105 2.543 319 HE2 LYS 38 2HE LYS 38 7.596 10.180 3.792 320 HE3 LYS 38 1HE LYS 38 9.297 9.967 3.362 321 HZ1 LYS 38 3HZ LYS 38 8.756 10.220 1.054 322 HZ2 LYS 38 1HZ LYS 38 8.090 11.523 1.900 323 HZ3 LYS 38 2HZ LYS 38 7.099 10.259 1.379 324 H TYR 39 H TYR 39 5.064 6.262 6.052 325 HA TYR 39 HA TYR 39 5.604 3.491 6.683 326 HB2 TYR 39 2HB TYR 39 3.048 4.742 5.583 327 HB3 TYR 39 1HB TYR 39 3.210 3.162 6.359 328 HD1 TYR 39 HD1 TYR 39 3.090 6.786 6.905 329 HD2 TYR 39 HD2 TYR 39 3.586 3.009 8.835 330 HE1 TYR 39 HE1 TYR 39 2.833 7.856 9.073 331 HE2 TYR 39 HE2 TYR 39 3.311 4.103 11.028 332 HH TYR 39 HH TYR 39 2.315 7.412 11.310 333 H ASP 40 H ASP 40 5.997 2.009 5.323 334 HA ASP 40 HA ASP 40 6.077 2.497 2.411 335 HB2 ASP 40 2HB ASP 40 8.300 2.546 3.754 336 HB3 ASP 40 1HB ASP 40 8.065 0.829 4.026 337 H ILE 41 H ILE 41 5.028 0.948 1.224 338 HA ILE 41 HA ILE 41 4.370 -1.622 2.490 339 HB ILE 41 HB ILE 41 2.381 -0.351 2.982 340 HG12 ILE 41 2HG1 ILE 41 1.826 -2.145 0.579 341 HG13 ILE 41 1HG1 ILE 41 2.026 -2.693 2.236 342 HG21 ILE 41 1HG2 ILE 41 0.994 0.803 1.320 343 HG22 ILE 41 2HG2 ILE 41 2.184 0.432 0.071 344 HG23 ILE 41 3HG2 ILE 41 2.618 1.496 1.407 345 HD11 ILE 41 3HD1 ILE 41 -0.296 -2.681 1.631 346 HD12 ILE 41 1HD1 ILE 41 -0.222 -0.979 1.175 347 HD13 ILE 41 2HD1 ILE 41 -0.014 -1.454 2.864 348 H ARG 42 H ARG 42 5.038 -3.088 1.246 349 HA ARG 42 HA ARG 42 4.767 -3.344 -1.556 350 HB2 ARG 42 2HB ARG 42 7.040 -3.000 -2.396 351 HB3 ARG 42 1HB ARG 42 6.377 -1.505 -1.765 352 HG2 ARG 42 2HG ARG 42 7.799 -1.558 0.139 353 HG3 ARG 42 1HG ARG 42 8.267 -3.234 -0.178 354 HD2 ARG 42 2HD ARG 42 9.943 -1.383 -0.844 355 HD3 ARG 42 1HD ARG 42 9.615 -2.660 -2.012 356 HE ARG 42 HE ARG 42 8.560 -1.133 -3.404 357 HH11 ARG 42 1HH1 ARG 42 9.412 0.474 -0.375 358 HH12 ARG 42 2HH1 ARG 42 9.117 2.059 -1.005 359 HH21 ARG 42 1HH2 ARG 42 8.103 0.958 -4.178 360 HH22 ARG 42 2HH2 ARG 42 8.379 2.336 -3.159 361 H THR 43 H THR 43 6.696 -4.935 -2.444 362 HA THR 43 HA THR 43 6.725 -7.145 -0.536 363 HB THR 43 HB THR 43 7.169 -7.167 -3.565 364 HG1 THR 43 HG1 THR 43 4.913 -6.662 -2.377 365 HG21 THR 43 3HG2 THR 43 6.520 -9.410 -1.610 366 HG22 THR 43 1HG2 THR 43 8.089 -9.136 -2.379 367 HG23 THR 43 2HG2 THR 43 6.691 -9.583 -3.360 368 H TRP 44 H TRP 44 8.623 -7.469 0.402 369 HA TRP 44 HA TRP 44 11.152 -6.371 -0.700 370 HB2 TRP 44 2HB TRP 44 10.276 -6.950 2.173 371 HB3 TRP 44 1HB TRP 44 11.934 -6.573 1.734 372 HD1 TRP 44 HD1 TRP 44 8.557 -4.902 2.370 373 HE1 TRP 44 HE1 TRP 44 8.934 -2.352 2.501 374 HE3 TRP 44 HE3 TRP 44 13.391 -4.684 0.719 375 HZ2 TRP 44 HZ2 TRP 44 10.973 -0.504 1.952 376 HZ3 TRP 44 HZ3 TRP 44 14.484 -2.488 0.554 377 HH2 TRP 44 HH2 TRP 44 13.299 -0.435 1.158 378 H SER 45 H SER 45 13.027 -7.745 -0.415 379 HA SER 45 HA SER 45 12.663 -10.576 -0.581 380 HB2 SER 45 2HB SER 45 15.165 -10.669 -0.350 381 HB3 SER 45 1HB SER 45 14.635 -9.524 -1.574 382 HG SER 45 HG SER 45 16.337 -8.876 0.011 383 HA PRO 46 HA PRO 46 12.719 -11.811 3.847 384 HB2 PRO 46 2HB PRO 46 14.947 -13.708 3.403 385 HB3 PRO 46 1HB PRO 46 13.272 -14.037 3.872 386 HG2 PRO 46 2HG PRO 46 14.406 -14.521 1.370 387 HG3 PRO 46 1HG PRO 46 12.677 -14.544 1.752 388 HD2 PRO 46 2HD PRO 46 14.177 -12.596 0.174 389 HD3 PRO 46 1HD PRO 46 12.419 -12.753 0.375 390 H ASP 47 H ASP 47 15.563 -10.914 2.072 391 HA ASP 47 HA ASP 47 17.268 -10.455 4.381 392 HB2 ASP 47 2HB ASP 47 17.844 -9.619 1.514 393 HB3 ASP 47 1HB ASP 47 18.996 -10.034 2.775 394 H HIS 48 H HIS 48 14.860 -8.741 2.700 395 HA HIS 48 HA HIS 48 14.099 -6.641 2.528 396 HB2 HIS 48 2HB HIS 48 15.653 -6.344 5.112 397 HB3 HIS 48 1HB HIS 48 14.719 -5.011 4.446 398 HD1 HIS 48 HD1 HIS 48 13.900 -5.929 7.139 399 HD2 HIS 48 HD2 HIS 48 12.327 -7.610 3.683 400 HE1 HIS 48 HE1 HIS 48 11.667 -6.856 7.790 401 HE2 HIS 48 HE2 HIS 48 10.654 -7.629 5.638 402 H GLU 49 H GLU 49 16.832 -7.290 1.323 403 HA GLU 49 HA GLU 49 18.004 -4.594 1.014 404 HB2 GLU 49 2HB GLU 49 19.930 -5.726 0.005 405 HB3 GLU 49 1HB GLU 49 19.550 -6.454 1.561 406 HG2 GLU 49 2HG GLU 49 18.446 -8.349 0.401 407 HG3 GLU 49 1HG GLU 49 18.830 -7.610 -1.150 408 H LYS 50 H LYS 50 15.797 -6.644 -0.486 409 HA LYS 50 HA LYS 50 16.120 -5.352 -3.132 410 HB2 LYS 50 2HB LYS 50 15.003 -8.121 -2.522 411 HB3 LYS 50 1HB LYS 50 15.016 -7.376 -4.102 412 HG2 LYS 50 2HG LYS 50 17.664 -7.735 -2.740 413 HG3 LYS 50 1HG LYS 50 16.846 -9.180 -3.328 414 HD2 LYS 50 2HD LYS 50 18.365 -8.441 -5.040 415 HD3 LYS 50 1HD LYS 50 16.727 -8.130 -5.606 416 HE2 LYS 50 2HE LYS 50 16.977 -5.751 -5.010 417 HE3 LYS 50 1HE LYS 50 18.613 -6.067 -4.428 418 HZ1 LYS 50 3HZ LYS 50 19.217 -6.771 -6.676 419 HZ2 LYS 50 1HZ LYS 50 18.672 -5.175 -6.654 420 HZ3 LYS 50 2HZ LYS 50 17.665 -6.403 -7.231 421 H MET 51 H MET 51 14.351 -4.395 -3.957 422 HA MET 51 HA MET 51 11.789 -4.468 -2.465 423 HB2 MET 51 2HB MET 51 11.580 -2.005 -2.896 424 HB3 MET 51 1HB MET 51 12.910 -2.405 -1.823 425 HG2 MET 51 2HG MET 51 14.497 -2.106 -3.702 426 HG3 MET 51 1HG MET 51 13.147 -1.674 -4.756 427 HE1 MET 51 3HE MET 51 15.828 0.143 -4.186 428 HE2 MET 51 1HE MET 51 15.100 1.746 -4.079 429 HE3 MET 51 2HE MET 51 14.579 0.626 -5.336 430 H GLY 52 H GLY 52 9.935 -3.649 -3.819 431 HA2 GLY 52 2HA GLY 52 10.284 -3.570 -6.722 432 HA3 GLY 52 1HA GLY 52 9.412 -4.964 -6.090 433 H LYS 53 H LYS 53 7.332 -4.619 -6.615 434 HA LYS 53 HA LYS 53 6.192 -2.083 -7.129 435 HB2 LYS 53 2HB LYS 53 4.769 -4.745 -6.689 436 HB3 LYS 53 1HB LYS 53 4.013 -3.289 -7.313 437 HG2 LYS 53 2HG LYS 53 4.385 -4.564 -9.231 438 HG3 LYS 53 1HG LYS 53 5.734 -3.428 -9.246 439 HD2 LYS 53 2HD LYS 53 7.216 -5.171 -8.315 440 HD3 LYS 53 1HD LYS 53 5.860 -6.296 -8.232 441 HE2 LYS 53 2HE LYS 53 5.663 -6.189 -10.711 442 HE3 LYS 53 1HE LYS 53 7.073 -5.125 -10.756 443 HZ1 LYS 53 3HZ LYS 53 7.695 -7.413 -11.192 444 HZ2 LYS 53 1HZ LYS 53 7.036 -7.913 -9.719 445 HZ3 LYS 53 2HZ LYS 53 8.385 -6.893 -9.738 446 H GLY 54 H GLY 54 5.615 -0.583 -5.624 447 HA2 GLY 54 2HA GLY 54 3.751 -0.924 -3.645 448 HA3 GLY 54 1HA GLY 54 5.308 -1.139 -2.873 449 H ILE 55 H ILE 55 4.195 0.824 -1.774 450 HA ILE 55 HA ILE 55 4.883 3.337 -3.136 451 HB ILE 55 HB ILE 55 2.569 2.961 -3.826 452 HG12 ILE 55 2HG1 ILE 55 2.766 5.118 -1.681 453 HG13 ILE 55 1HG1 ILE 55 3.130 5.290 -3.391 454 HG21 ILE 55 1HG2 ILE 55 0.685 2.691 -2.291 455 HG22 ILE 55 2HG2 ILE 55 1.786 2.699 -0.912 456 HG23 ILE 55 3HG2 ILE 55 1.858 1.385 -2.086 457 HD11 ILE 55 3HD1 ILE 55 0.397 4.819 -2.206 458 HD12 ILE 55 1HD1 ILE 55 0.772 4.984 -3.924 459 HD13 ILE 55 2HD1 ILE 55 1.033 6.339 -2.831 460 H THR 56 H THR 56 5.107 5.063 -1.779 461 HA THR 56 HA THR 56 5.538 4.576 1.101 462 HB THR 56 HB THR 56 6.799 6.792 0.933 463 HG1 THR 56 HG1 THR 56 6.538 7.880 -0.866 464 HG21 THR 56 3HG2 THR 56 7.742 4.606 -0.967 465 HG22 THR 56 1HG2 THR 56 8.031 4.639 0.776 466 HG23 THR 56 2HG2 THR 56 8.756 5.868 -0.263 467 H LEU 57 H LEU 57 4.536 5.903 2.635 468 HA LEU 57 HA LEU 57 2.331 7.708 1.860 469 HB2 LEU 57 2HB LEU 57 2.168 5.438 3.914 470 HB3 LEU 57 1HB LEU 57 0.894 6.601 3.588 471 HG LEU 57 HG LEU 57 1.878 4.486 1.629 472 HD11 LEU 57 1HD1 LEU 57 -0.667 4.540 3.292 473 HD12 LEU 57 2HD1 LEU 57 0.714 3.458 3.523 474 HD13 LEU 57 3HD1 LEU 57 -0.257 3.344 2.057 475 HD21 LEU 57 3HD2 LEU 57 -0.435 6.440 1.404 476 HD22 LEU 57 1HD2 LEU 57 -0.087 5.125 0.275 477 HD23 LEU 57 2HD2 LEU 57 1.056 6.453 0.457 478 H SER 58 H SER 58 2.109 9.400 3.332 479 HA SER 58 HA SER 58 4.093 9.702 5.492 480 HB2 SER 58 2HB SER 58 1.942 11.681 4.619 481 HB3 SER 58 1HB SER 58 3.401 12.020 5.554 482 HG SER 58 HG SER 58 3.052 11.884 2.864 483 H GLU 59 H GLU 59 3.087 10.701 7.630 484 HA GLU 59 HA GLU 59 1.250 8.917 8.798 485 HB2 GLU 59 2HB GLU 59 2.082 11.695 9.707 486 HB3 GLU 59 1HB GLU 59 1.074 10.614 10.669 487 HG2 GLU 59 2HG GLU 59 2.995 8.924 10.508 488 HG3 GLU 59 1HG GLU 59 3.966 10.250 9.869 489 H GLU 60 H GLU 60 0.708 11.971 7.113 490 HA GLU 60 HA GLU 60 -1.973 12.420 7.775 491 HB2 GLU 60 2HB GLU 60 -0.660 13.020 5.092 492 HB3 GLU 60 1HB GLU 60 -2.089 13.796 5.763 493 HG2 GLU 60 2HG GLU 60 -0.602 14.649 7.645 494 HG3 GLU 60 1HG GLU 60 0.775 14.063 6.710 495 H GLU 61 H GLU 61 -0.667 10.795 4.836 496 HA GLU 61 HA GLU 61 -3.103 9.936 3.746 497 HB2 GLU 61 2HB GLU 61 -0.324 8.712 3.463 498 HB3 GLU 61 1HB GLU 61 -1.716 8.220 2.506 499 HG2 GLU 61 2HG GLU 61 -0.741 9.659 1.044 500 HG3 GLU 61 1HG GLU 61 -1.820 10.771 1.866 501 H PHE 62 H PHE 62 -0.763 8.186 5.746 502 HA PHE 62 HA PHE 62 -2.030 5.734 5.966 503 HB2 PHE 62 2HB PHE 62 0.336 6.308 6.614 504 HB3 PHE 62 1HB PHE 62 -0.283 7.117 8.049 505 HD1 PHE 62 HD2 PHE 62 -0.389 3.814 6.292 506 HD2 PHE 62 HD1 PHE 62 -0.431 5.862 10.047 507 HE1 PHE 62 HE2 PHE 62 -0.296 1.669 7.468 508 HE2 PHE 62 HE1 PHE 62 -0.340 3.704 11.221 509 HZ PHE 62 HZ PHE 62 -0.270 1.607 9.935 510 H GLY 63 H GLY 63 -2.311 8.657 7.992 511 HA2 GLY 63 2HA GLY 63 -4.101 7.699 9.912 512 HA3 GLY 63 1HA GLY 63 -3.903 9.374 9.436 513 H VAL 64 H VAL 64 -4.744 9.260 6.763 514 HA VAL 64 HA VAL 64 -7.573 9.330 6.958 515 HB VAL 64 HB VAL 64 -5.803 9.219 4.465 516 HG11 VAL 64 1HG1 VAL 64 -8.120 8.621 3.899 517 HG12 VAL 64 2HG1 VAL 64 -7.695 10.196 3.233 518 HG13 VAL 64 3HG1 VAL 64 -8.709 10.096 4.675 519 HG21 VAL 64 3HG2 VAL 64 -6.988 11.654 5.855 520 HG22 VAL 64 1HG2 VAL 64 -6.000 11.657 4.392 521 HG23 VAL 64 2HG2 VAL 64 -5.298 11.153 5.926 522 H LEU 65 H LEU 65 -5.276 6.887 5.708 523 HA LEU 65 HA LEU 65 -7.039 4.973 4.716 524 HB2 LEU 65 2HB LEU 65 -4.508 5.008 4.493 525 HB3 LEU 65 1HB LEU 65 -4.405 4.461 6.154 526 HG LEU 65 HG LEU 65 -5.707 2.364 5.423 527 HD11 LEU 65 1HD1 LEU 65 -5.060 3.400 2.650 528 HD12 LEU 65 2HD1 LEU 65 -6.668 3.218 3.358 529 HD13 LEU 65 3HD1 LEU 65 -5.683 1.794 3.044 530 HD21 LEU 65 3HD2 LEU 65 -3.713 1.257 4.508 531 HD22 LEU 65 1HD2 LEU 65 -3.286 2.323 5.847 532 HD23 LEU 65 2HD2 LEU 65 -2.970 2.827 4.184 533 H LEU 66 H LEU 66 -5.598 5.271 8.006 534 HA LEU 66 HA LEU 66 -6.749 3.110 9.309 535 HB2 LEU 66 2HB LEU 66 -6.022 5.884 10.360 536 HB3 LEU 66 1HB LEU 66 -6.387 4.516 11.397 537 HG LEU 66 HG LEU 66 -4.037 4.665 9.476 538 HD11 LEU 66 1HD1 LEU 66 -2.611 4.887 11.451 539 HD12 LEU 66 2HD1 LEU 66 -4.034 4.930 12.496 540 HD13 LEU 66 3HD1 LEU 66 -3.748 6.228 11.334 541 HD21 LEU 66 3HD2 LEU 66 -3.237 2.625 10.560 542 HD22 LEU 66 1HD2 LEU 66 -4.794 2.374 9.775 543 HD23 LEU 66 2HD2 LEU 66 -4.711 2.549 11.530 544 H LYS 67 H LYS 67 -7.919 6.445 9.044 545 HA LYS 67 HA LYS 67 -10.217 6.396 10.638 546 HB2 LYS 67 2HB LYS 67 -9.401 8.061 8.230 547 HB3 LYS 67 1HB LYS 67 -10.920 8.359 9.062 548 HG2 LYS 67 2HG LYS 67 -9.848 9.144 11.014 549 HG3 LYS 67 1HG LYS 67 -8.301 8.419 10.574 550 HD2 LYS 67 2HD LYS 67 -8.503 10.978 10.343 551 HD3 LYS 67 1HD LYS 67 -7.827 10.100 8.972 552 HE2 LYS 67 2HE LYS 67 -9.383 11.854 8.251 553 HE3 LYS 67 1HE LYS 67 -9.982 10.261 7.792 554 HZ1 LYS 67 3HZ LYS 67 -11.752 11.628 8.681 555 HZ2 LYS 67 1HZ LYS 67 -10.890 11.876 10.115 556 HZ3 LYS 67 2HZ LYS 67 -11.458 10.335 9.727 557 H GLU 68 H GLU 68 -9.996 6.158 7.074 558 HA GLU 68 HA GLU 68 -12.823 5.727 6.838 559 HB2 GLU 68 2HB GLU 68 -10.733 5.533 4.642 560 HB3 GLU 68 1HB GLU 68 -12.469 5.720 4.433 561 HG2 GLU 68 2HG GLU 68 -10.480 7.762 5.442 562 HG3 GLU 68 1HG GLU 68 -11.510 7.855 4.019 563 H LEU 69 H LEU 69 -10.016 3.585 6.895 564 HA LEU 69 HA LEU 69 -11.343 1.197 6.088 565 HB2 LEU 69 2HB LEU 69 -8.980 1.614 7.957 566 HB3 LEU 69 1HB LEU 69 -9.588 0.015 7.552 567 HG LEU 69 HG LEU 69 -8.330 2.006 5.622 568 HD11 LEU 69 1HD1 LEU 69 -6.550 0.337 5.415 569 HD12 LEU 69 2HD1 LEU 69 -7.354 -0.693 6.605 570 HD13 LEU 69 3HD1 LEU 69 -6.716 0.882 7.083 571 HD21 LEU 69 3HD2 LEU 69 -9.432 -0.751 5.043 572 HD22 LEU 69 1HD2 LEU 69 -8.547 0.285 3.919 573 HD23 LEU 69 2HD2 LEU 69 -10.128 0.786 4.512 574 H GLY 70 H GLY 70 -10.866 2.764 9.244 575 HA2 GLY 70 2HA GLY 70 -12.191 0.923 10.899 576 HA3 GLY 70 1HA GLY 70 -12.001 2.638 11.224 577 H ASN 71 H ASN 71 -13.406 3.646 9.021 578 HA ASN 71 HA ASN 71 -16.146 3.543 9.828 579 HB2 ASN 71 2HB ASN 71 -14.962 4.542 7.191 580 HB3 ASN 71 1HB ASN 71 -16.605 4.855 7.740 581 HD21 ASN 71 1HD2 ASN 71 -14.479 6.738 7.062 582 HD22 ASN 71 2HD2 ASN 71 -14.222 7.712 8.459 583 H LYS 72 H LYS 72 -14.792 2.589 6.680 584 HA LYS 72 HA LYS 72 -16.727 0.944 5.702 585 HB2 LYS 72 2HB LYS 72 -13.739 0.710 5.238 586 HB3 LYS 72 1HB LYS 72 -14.957 -0.088 4.243 587 HG2 LYS 72 2HG LYS 72 -15.871 2.108 3.569 588 HG3 LYS 72 1HG LYS 72 -14.692 2.919 4.603 589 HD2 LYS 72 2HD LYS 72 -13.942 2.991 2.277 590 HD3 LYS 72 1HD LYS 72 -12.845 1.983 3.227 591 HE2 LYS 72 2HE LYS 72 -13.357 0.982 1.031 592 HE3 LYS 72 1HE LYS 72 -13.933 -0.042 2.348 593 HZ1 LYS 72 3HZ LYS 72 -15.593 1.842 0.759 594 HZ2 LYS 72 1HZ LYS 72 -16.157 0.857 2.010 595 HZ3 LYS 72 2HZ LYS 72 -15.575 0.169 0.588 596 H LEU 73 H LEU 73 -14.971 -0.007 8.497 597 HA LEU 73 HA LEU 73 -15.365 -2.841 8.193 598 HB2 LEU 73 2HB LEU 73 -14.914 -1.120 10.658 599 HB3 LEU 73 1HB LEU 73 -15.081 -2.869 10.736 600 HG LEU 73 HG LEU 73 -12.864 -1.359 9.291 601 HD11 LEU 73 1HD1 LEU 73 -11.365 -2.280 10.999 602 HD12 LEU 73 2HD1 LEU 73 -12.739 -3.030 11.817 603 HD13 LEU 73 3HD1 LEU 73 -12.618 -1.272 11.726 604 HD21 LEU 73 3HD2 LEU 73 -13.405 -3.404 8.077 605 HD22 LEU 73 1HD2 LEU 73 -13.282 -4.351 9.563 606 HD23 LEU 73 2HD2 LEU 73 -11.849 -3.573 8.887 607 H GLU 74 H GLU 74 -17.581 -0.374 8.461 608 HA GLU 74 HA GLU 74 -19.747 -1.553 9.885 609 HB2 GLU 74 2HB GLU 74 -19.648 0.480 7.598 610 HB3 GLU 74 1HB GLU 74 -21.158 -0.008 8.357 611 HG2 GLU 74 2HG GLU 74 -20.502 0.935 10.476 612 HG3 GLU 74 1HG GLU 74 -18.862 1.229 9.905 613 H HIS 75 H HIS 75 -18.507 -1.840 6.639 614 HA HIS 75 HA HIS 75 -20.255 -4.162 6.104 615 HB2 HIS 75 2HB HIS 75 -21.267 -2.204 4.967 616 HB3 HIS 75 1HB HIS 75 -19.758 -1.912 4.110 617 HD1 HIS 75 HD1 HIS 75 -19.715 -2.858 1.822 618 HD2 HIS 75 HD2 HIS 75 -22.335 -4.948 4.279 619 HE1 HIS 75 HE1 HIS 75 -20.827 -4.552 0.340 620 HE2 HIS 75 HE2 HIS 75 -22.293 -5.889 1.875 621 H HIS 76 H HIS 76 -18.720 -5.666 6.271 622 HA HIS 76 HA HIS 76 -16.844 -5.896 4.033 623 HB2 HIS 76 2HB HIS 76 -15.450 -5.047 5.945 624 HB3 HIS 76 1HB HIS 76 -15.988 -6.401 6.934 625 HD1 HIS 76 HD1 HIS 76 -15.047 -8.776 6.299 626 HD2 HIS 76 HD2 HIS 76 -13.397 -5.635 4.134 627 HE1 HIS 76 HE1 HIS 76 -13.054 -9.744 5.130 628 HE2 HIS 76 HE2 HIS 76 -12.240 -7.897 3.640 629 H HIS 77 H HIS 77 -17.441 -7.762 3.078 630 HA HIS 77 HA HIS 77 -19.536 -9.319 4.093 631 HB2 HIS 77 2HB HIS 77 -19.274 -10.742 2.076 632 HB3 HIS 77 1HB HIS 77 -19.276 -9.027 1.700 633 HD1 HIS 77 HD1 HIS 77 -18.237 -9.906 -0.609 634 HD2 HIS 77 HD2 HIS 77 -15.743 -10.277 2.693 635 HE1 HIS 77 HE1 HIS 77 -15.940 -10.299 -1.529 636 HE2 HIS 77 HE2 HIS 77 -14.527 -10.759 0.489 637 H HIS 78 H HIS 78 -19.721 -11.503 4.671 638 HA HIS 78 HA HIS 78 -17.279 -13.036 5.299 639 HB2 HIS 78 2HB HIS 78 -19.615 -12.573 7.211 640 HB3 HIS 78 1HB HIS 78 -18.388 -13.818 7.455 641 HD1 HIS 78 HD1 HIS 78 -19.128 -10.665 8.742 642 HD2 HIS 78 HD2 HIS 78 -15.636 -12.309 7.203 643 HE1 HIS 78 HE1 HIS 78 -17.256 -9.248 9.641 644 HE2 HIS 78 HE2 HIS 78 -15.156 -10.378 8.839 645 H HIS 79 H HIS 79 -17.540 -15.292 5.140 646 HA HIS 79 HA HIS 79 -19.403 -16.026 3.097 647 HB2 HIS 79 2HB HIS 79 -17.051 -16.841 3.130 648 HB3 HIS 79 1HB HIS 79 -17.404 -17.797 4.564 649 HD1 HIS 79 HD1 HIS 79 -18.082 -20.158 4.093 650 HD2 HIS 79 HD2 HIS 79 -18.694 -17.700 0.797 651 HE1 HIS 79 HE1 HIS 79 -18.873 -21.674 2.255 652 HE2 HIS 79 HE2 HIS 79 -19.470 -20.127 0.367 653 H HIS 80 H HIS 80 -21.357 -16.495 3.509 654 HA HIS 80 HA HIS 80 -22.326 -17.729 5.973 655 HB2 HIS 80 2HB HIS 80 -23.860 -16.947 3.450 656 HB3 HIS 80 1HB HIS 80 -24.593 -17.536 4.941 657 HD1 HIS 80 HD1 HIS 80 -24.596 -15.924 6.990 658 HD2 HIS 80 HD2 HIS 80 -23.045 -14.267 3.509 659 HE1 HIS 80 HE1 HIS 80 -24.469 -13.452 7.417 660 HE2 HIS 80 HE2 HIS 80 -23.449 -12.488 5.332 661 H1 MET 1 1H MET 1 3.026 -11.967 -18.033 662 H2 MET 1 2H MET 1 2.580 -13.523 -17.548 663 H3 MET 1 3H MET 1 1.393 -12.376 -17.913 664 HA MET 1 HA MET 1 3.314 -13.580 -19.807 665 HB2 MET 1 2HB MET 1 0.275 -13.822 -19.688 666 HB3 MET 1 1HB MET 1 1.339 -14.635 -20.834 667 HG2 MET 1 2HG MET 1 0.625 -16.219 -19.169 668 HG3 MET 1 1HG MET 1 2.344 -15.897 -18.925 669 HE1 MET 1 3HE MET 1 0.723 -17.345 -16.671 670 HE2 MET 1 1HE MET 1 1.180 -16.438 -15.233 671 HE3 MET 1 2HE MET 1 2.399 -16.837 -16.444 672 H ALA 2 H ALA 2 0.929 -11.086 -19.148 673 HA ALA 2 HA ALA 2 0.686 -10.144 -21.877 674 HB1 ALA 2 3HB ALA 2 -1.221 -10.048 -20.304 675 HB2 ALA 2 1HB ALA 2 -0.795 -8.441 -20.898 676 HB3 ALA 2 2HB ALA 2 -0.320 -8.934 -19.272 677 H ASP 3 H ASP 3 2.145 -8.792 -22.827 678 HA ASP 3 HA ASP 3 4.279 -7.508 -21.412 679 HB2 ASP 3 2HB ASP 3 4.959 -6.616 -23.582 680 HB3 ASP 3 1HB ASP 3 4.481 -8.298 -23.767 681 H LYS 4 H LYS 4 1.248 -6.349 -22.855 682 HA LYS 4 HA LYS 4 1.299 -3.944 -21.122 683 HB2 LYS 4 2HB LYS 4 0.755 -3.406 -23.453 684 HB3 LYS 4 1HB LYS 4 -0.431 -4.705 -23.533 685 HG2 LYS 4 2HG LYS 4 -1.826 -3.492 -21.843 686 HG3 LYS 4 1HG LYS 4 -0.666 -2.162 -21.875 687 HD2 LYS 4 2HD LYS 4 -1.194 -1.704 -24.225 688 HD3 LYS 4 1HD LYS 4 -2.235 -3.130 -24.308 689 HE2 LYS 4 2HE LYS 4 -3.751 -2.105 -22.633 690 HE3 LYS 4 1HE LYS 4 -2.714 -0.675 -22.581 691 HZ1 LYS 4 3HZ LYS 4 -4.689 -0.447 -24.034 692 HZ2 LYS 4 1HZ LYS 4 -4.066 -1.648 -25.041 693 HZ3 LYS 4 2HZ LYS 4 -3.232 -0.195 -24.846 694 H LEU 5 H LEU 5 0.114 -4.138 -19.228 695 HA LEU 5 HA LEU 5 -1.447 -6.539 -18.758 696 HB2 LEU 5 2HB LEU 5 -1.116 -4.128 -16.919 697 HB3 LEU 5 1HB LEU 5 -1.803 -5.693 -16.478 698 HG LEU 5 HG LEU 5 1.106 -5.070 -17.121 699 HD11 LEU 5 1HD1 LEU 5 0.389 -4.450 -14.861 700 HD12 LEU 5 2HD1 LEU 5 1.533 -5.788 -14.825 701 HD13 LEU 5 3HD1 LEU 5 -0.189 -6.095 -14.575 702 HD21 LEU 5 3HD2 LEU 5 1.594 -7.453 -16.701 703 HD22 LEU 5 1HD2 LEU 5 0.595 -7.221 -18.134 704 HD23 LEU 5 2HD2 LEU 5 -0.136 -7.796 -16.635 705 H LYS 6 H LYS 6 -3.599 -6.529 -18.069 706 HA LYS 6 HA LYS 6 -5.305 -4.286 -18.978 707 HB2 LYS 6 2HB LYS 6 -5.975 -7.239 -18.614 708 HB3 LYS 6 1HB LYS 6 -7.157 -5.998 -19.014 709 HG2 LYS 6 2HG LYS 6 -4.779 -6.771 -20.737 710 HG3 LYS 6 1HG LYS 6 -6.434 -7.326 -20.983 711 HD2 LYS 6 2HD LYS 6 -5.554 -4.413 -21.091 712 HD3 LYS 6 1HD LYS 6 -5.774 -5.451 -22.499 713 HE2 LYS 6 2HE LYS 6 -8.150 -5.667 -22.054 714 HE3 LYS 6 1HE LYS 6 -7.987 -4.815 -20.515 715 HZ1 LYS 6 3HZ LYS 6 -7.406 -2.814 -21.686 716 HZ2 LYS 6 1HZ LYS 6 -8.863 -3.408 -22.308 717 HZ3 LYS 6 2HZ LYS 6 -7.430 -3.609 -23.174 718 H PHE 7 H PHE 7 -6.584 -3.323 -17.455 719 HA PHE 7 HA PHE 7 -6.997 -4.510 -14.821 720 HB2 PHE 7 2HB PHE 7 -6.124 -2.436 -13.677 721 HB3 PHE 7 1HB PHE 7 -4.877 -3.388 -14.451 722 HD1 PHE 7 HD1 PHE 7 -3.908 -2.560 -16.686 723 HD2 PHE 7 HD2 PHE 7 -6.403 -0.108 -14.216 724 HE1 PHE 7 HE1 PHE 7 -3.071 -0.546 -17.832 725 HE2 PHE 7 HE2 PHE 7 -5.559 1.897 -15.371 726 HZ PHE 7 HZ PHE 7 -3.901 1.683 -17.178 727 H GLU 8 H GLU 8 -8.909 -3.818 -13.893 728 HA GLU 8 HA GLU 8 -10.375 -1.574 -15.146 729 HB2 GLU 8 2HB GLU 8 -11.291 -3.711 -16.075 730 HB3 GLU 8 1HB GLU 8 -11.550 -4.318 -14.440 731 HG2 GLU 8 2HG GLU 8 -13.148 -2.425 -14.024 732 HG3 GLU 8 1HG GLU 8 -12.926 -1.915 -15.697 733 H ILE 9 H ILE 9 -11.126 -0.224 -13.591 734 HA ILE 9 HA ILE 9 -10.586 -0.844 -10.803 735 HB ILE 9 HB ILE 9 -11.755 1.680 -12.074 736 HG12 ILE 9 2HG1 ILE 9 -8.919 1.108 -11.085 737 HG13 ILE 9 1HG1 ILE 9 -9.405 1.119 -12.775 738 HG21 ILE 9 1HG2 ILE 9 -10.713 1.259 -9.241 739 HG22 ILE 9 2HG2 ILE 9 -12.407 1.482 -9.688 740 HG23 ILE 9 3HG2 ILE 9 -11.252 2.795 -9.925 741 HD11 ILE 9 3HD1 ILE 9 -9.406 3.481 -10.901 742 HD12 ILE 9 1HD1 ILE 9 -9.959 3.501 -12.580 743 HD13 ILE 9 2HD1 ILE 9 -8.273 3.150 -12.211 744 H ILE 10 H ILE 10 -11.976 -2.048 -9.819 745 HA ILE 10 HA ILE 10 -14.723 -2.461 -10.596 746 HB ILE 10 HB ILE 10 -13.114 -3.490 -8.205 747 HG12 ILE 10 2HG1 ILE 10 -12.184 -4.268 -10.336 748 HG13 ILE 10 1HG1 ILE 10 -12.949 -5.612 -9.500 749 HG21 ILE 10 1HG2 ILE 10 -14.871 -5.215 -7.936 750 HG22 ILE 10 2HG2 ILE 10 -15.840 -4.427 -9.185 751 HG23 ILE 10 3HG2 ILE 10 -15.496 -3.587 -7.669 752 HD11 ILE 10 3HD1 ILE 10 -14.909 -5.383 -11.001 753 HD12 ILE 10 1HD1 ILE 10 -13.404 -5.716 -11.859 754 HD13 ILE 10 2HD1 ILE 10 -14.065 -4.084 -11.853 755 H GLU 11 H GLU 11 -12.875 -0.780 -8.058 756 HA GLU 11 HA GLU 11 -15.096 0.944 -7.374 757 HB2 GLU 11 2HB GLU 11 -15.651 -1.195 -6.160 758 HB3 GLU 11 1HB GLU 11 -14.132 -1.070 -5.282 759 HG2 GLU 11 2HG GLU 11 -14.903 0.979 -4.179 760 HG3 GLU 11 1HG GLU 11 -16.384 0.965 -5.140 761 H GLU 12 H GLU 12 -14.461 2.660 -5.993 762 HA GLU 12 HA GLU 12 -11.579 2.929 -5.305 763 HB2 GLU 12 2HB GLU 12 -13.706 5.028 -5.905 764 HB3 GLU 12 1HB GLU 12 -12.124 5.428 -5.239 765 HG2 GLU 12 2HG GLU 12 -11.002 4.655 -7.225 766 HG3 GLU 12 1HG GLU 12 -12.493 3.974 -7.875 767 H LEU 13 H LEU 13 -11.038 3.336 -3.191 768 HA LEU 13 HA LEU 13 -13.273 2.958 -1.239 769 HB2 LEU 13 2HB LEU 13 -10.343 2.223 -0.846 770 HB3 LEU 13 1HB LEU 13 -11.676 1.844 0.234 771 HG LEU 13 HG LEU 13 -11.171 0.668 -2.524 772 HD11 LEU 13 1HD1 LEU 13 -10.971 -1.462 -1.311 773 HD12 LEU 13 2HD1 LEU 13 -11.179 -0.616 0.224 774 HD13 LEU 13 3HD1 LEU 13 -9.771 -0.285 -0.787 775 HD21 LEU 13 3HD2 LEU 13 -13.575 1.008 -2.274 776 HD22 LEU 13 1HD2 LEU 13 -13.560 0.178 -0.717 777 HD23 LEU 13 2HD2 LEU 13 -13.181 -0.704 -2.197 778 H ILE 14 H ILE 14 -9.986 4.426 -1.306 779 HA ILE 14 HA ILE 14 -10.839 6.563 0.564 780 HB ILE 14 HB ILE 14 -8.391 4.789 1.118 781 HG12 ILE 14 2HG1 ILE 14 -11.058 4.704 2.602 782 HG13 ILE 14 1HG1 ILE 14 -10.483 3.471 1.491 783 HG21 ILE 14 1HG2 ILE 14 -8.192 7.090 1.970 784 HG22 ILE 14 2HG2 ILE 14 -8.323 5.940 3.299 785 HG23 ILE 14 3HG2 ILE 14 -9.719 6.916 2.840 786 HD11 ILE 14 3HD1 ILE 14 -9.195 4.208 4.122 787 HD12 ILE 14 1HD1 ILE 14 -8.621 2.973 2.994 788 HD13 ILE 14 2HD1 ILE 14 -10.185 2.789 3.786 789 H VAL 15 H VAL 15 -10.116 8.439 -0.447 790 HA VAL 15 HA VAL 15 -7.685 8.427 -2.069 791 HB VAL 15 HB VAL 15 -9.352 10.854 -1.239 792 HG11 VAL 15 1HG1 VAL 15 -7.308 10.513 -3.474 793 HG12 VAL 15 2HG1 VAL 15 -7.093 11.446 -1.989 794 HG13 VAL 15 3HG1 VAL 15 -8.283 11.958 -3.187 795 HG21 VAL 15 3HG2 VAL 15 -10.782 9.280 -2.463 796 HG22 VAL 15 1HG2 VAL 15 -9.602 9.193 -3.775 797 HG23 VAL 15 2HG2 VAL 15 -10.453 10.705 -3.448 798 H LEU 16 H LEU 16 -5.760 8.531 -1.099 799 HA LEU 16 HA LEU 16 -5.558 9.152 1.747 800 HB2 LEU 16 2HB LEU 16 -3.400 8.189 -0.185 801 HB3 LEU 16 1HB LEU 16 -3.280 8.243 1.566 802 HG LEU 16 HG LEU 16 -5.188 6.452 0.009 803 HD11 LEU 16 1HD1 LEU 16 -2.872 5.714 -0.271 804 HD12 LEU 16 2HD1 LEU 16 -3.777 4.577 0.725 805 HD13 LEU 16 3HD1 LEU 16 -2.640 5.699 1.479 806 HD21 LEU 16 3HD2 LEU 16 -6.126 7.082 2.163 807 HD22 LEU 16 1HD2 LEU 16 -4.645 6.586 2.987 808 HD23 LEU 16 2HD2 LEU 16 -5.651 5.386 2.171 809 H SER 17 H SER 17 -4.675 10.551 -1.350 810 HA SER 17 HA SER 17 -4.292 13.161 -0.504 811 HB2 SER 17 2HB SER 17 -2.237 12.395 0.647 812 HB3 SER 17 1HB SER 17 -1.612 11.735 -0.860 813 HG SER 17 HG SER 17 -1.961 14.436 -0.093 814 H GLU 18 H GLU 18 -3.276 14.532 -2.196 815 HA GLU 18 HA GLU 18 -3.660 13.539 -4.959 816 HB2 GLU 18 2HB GLU 18 -5.701 14.735 -4.296 817 HB3 GLU 18 1HB GLU 18 -4.769 16.093 -3.669 818 HG2 GLU 18 2HG GLU 18 -4.035 16.670 -5.939 819 HG3 GLU 18 1HG GLU 18 -4.877 15.270 -6.595 820 H ASN 19 H ASN 19 -2.124 14.312 -6.433 821 HA ASN 19 HA ASN 19 0.296 15.518 -5.206 822 HB2 ASN 19 2HB ASN 19 0.228 13.512 -6.828 823 HB3 ASN 19 1HB ASN 19 -0.078 14.661 -8.112 824 HD21 ASN 19 1HD2 ASN 19 2.074 12.751 -7.728 825 HD22 ASN 19 2HD2 ASN 19 3.544 13.650 -7.845 826 H ALA 20 H ALA 20 1.490 17.325 -6.286 827 HA ALA 20 HA ALA 20 0.002 19.590 -7.131 828 HB1 ALA 20 3HB ALA 20 2.260 19.708 -6.175 829 HB2 ALA 20 1HB ALA 20 2.212 20.520 -7.743 830 HB3 ALA 20 2HB ALA 20 2.920 18.906 -7.599 831 H LYS 21 H LYS 21 1.169 16.811 -8.783 832 HA LYS 21 HA LYS 21 0.723 17.726 -11.526 833 HB2 LYS 21 2HB LYS 21 1.316 14.949 -10.376 834 HB3 LYS 21 1HB LYS 21 1.304 15.353 -12.087 835 HG2 LYS 21 2HG LYS 21 3.199 16.631 -10.095 836 HG3 LYS 21 1HG LYS 21 3.591 15.172 -11.006 837 HD2 LYS 21 2HD LYS 21 2.818 17.807 -12.313 838 HD3 LYS 21 1HD LYS 21 4.486 17.330 -11.991 839 HE2 LYS 21 2HE LYS 21 4.266 15.392 -13.464 840 HE3 LYS 21 1HE LYS 21 2.547 15.732 -13.705 841 HZ1 LYS 21 3HZ LYS 21 3.116 17.786 -14.811 842 HZ2 LYS 21 1HZ LYS 21 3.934 16.512 -15.560 843 HZ3 LYS 21 2HZ LYS 21 4.759 17.547 -14.517 844 H GLY 22 H GLY 22 -1.092 16.653 -8.956 845 HA2 GLY 22 2HA GLY 22 -3.445 16.511 -8.862 846 HA3 GLY 22 1HA GLY 22 -3.468 15.888 -10.508 847 H TRP 23 H TRP 23 -1.165 14.118 -9.908 848 HA TRP 23 HA TRP 23 -2.472 11.740 -9.888 849 HB2 TRP 23 2HB TRP 23 0.366 12.436 -9.098 850 HB3 TRP 23 1HB TRP 23 -0.191 10.769 -9.076 851 HD1 TRP 23 HD1 TRP 23 -0.478 13.591 -11.776 852 HE1 TRP 23 HE1 TRP 23 0.270 12.587 -14.014 853 HE3 TRP 23 HE3 TRP 23 0.683 8.843 -10.213 854 HZ2 TRP 23 HZ2 TRP 23 1.217 10.116 -15.010 855 HZ3 TRP 23 HZ3 TRP 23 1.520 7.221 -11.874 856 HH2 TRP 23 HH2 TRP 23 1.779 7.851 -14.223 857 H ARG 24 H ARG 24 -3.645 10.631 -8.384 858 HA ARG 24 HA ARG 24 -3.516 11.565 -5.593 859 HB2 ARG 24 2HB ARG 24 -5.747 10.324 -7.245 860 HB3 ARG 24 1HB ARG 24 -5.803 10.294 -5.484 861 HG2 ARG 24 2HG ARG 24 -5.692 12.755 -5.432 862 HG3 ARG 24 1HG ARG 24 -5.644 12.801 -7.191 863 HD2 ARG 24 2HD ARG 24 -7.881 11.694 -7.238 864 HD3 ARG 24 1HD ARG 24 -7.919 11.751 -5.471 865 HE ARG 24 HE ARG 24 -7.462 14.330 -6.620 866 HH11 ARG 24 1HH1 ARG 24 -10.041 12.027 -5.918 867 HH12 ARG 24 2HH1 ARG 24 -11.268 13.255 -5.858 868 HH21 ARG 24 1HH2 ARG 24 -9.067 15.901 -6.579 869 HH22 ARG 24 2HH2 ARG 24 -10.712 15.453 -6.233 870 H LYS 25 H LYS 25 -2.388 10.320 -4.287 871 HA LYS 25 HA LYS 25 -2.089 7.460 -4.807 872 HB2 LYS 25 2HB LYS 25 -0.778 7.415 -2.674 873 HB3 LYS 25 1HB LYS 25 -0.119 8.480 -3.905 874 HG2 LYS 25 2HG LYS 25 -0.836 10.437 -2.740 875 HG3 LYS 25 1HG LYS 25 -1.810 9.483 -1.615 876 HD2 LYS 25 2HD LYS 25 0.264 10.225 -0.544 877 HD3 LYS 25 1HD LYS 25 0.227 8.468 -0.675 878 HE2 LYS 25 2HE LYS 25 1.762 8.586 -2.605 879 HE3 LYS 25 1HE LYS 25 1.785 10.351 -2.483 880 HZ1 LYS 25 3HZ LYS 25 2.685 8.467 -0.363 881 HZ2 LYS 25 1HZ LYS 25 2.722 10.151 -0.258 882 HZ3 LYS 25 2HZ LYS 25 3.700 9.351 -1.378 883 H GLU 26 H GLU 26 -3.675 6.239 -4.375 884 HA GLU 26 HA GLU 26 -5.321 6.592 -1.971 885 HB2 GLU 26 2HB GLU 26 -7.384 6.306 -3.434 886 HB3 GLU 26 1HB GLU 26 -6.540 7.837 -3.572 887 HG2 GLU 26 2HG GLU 26 -6.962 7.438 -5.782 888 HG3 GLU 26 1HG GLU 26 -5.381 6.679 -5.660 889 H LEU 27 H LEU 27 -6.874 4.837 -1.726 890 HA LEU 27 HA LEU 27 -5.902 2.195 -2.551 891 HB2 LEU 27 2HB LEU 27 -5.937 2.538 -0.107 892 HB3 LEU 27 1HB LEU 27 -7.607 3.070 -0.174 893 HG LEU 27 HG LEU 27 -8.250 0.742 -0.944 894 HD11 LEU 27 1HD1 LEU 27 -6.698 -1.121 -0.615 895 HD12 LEU 27 2HD1 LEU 27 -5.396 0.015 -0.247 896 HD13 LEU 27 3HD1 LEU 27 -6.119 -0.009 -1.857 897 HD21 LEU 27 3HD2 LEU 27 -8.523 1.467 1.385 898 HD22 LEU 27 1HD2 LEU 27 -6.897 0.894 1.762 899 HD23 LEU 27 2HD2 LEU 27 -8.151 -0.251 1.280 900 H ASN 28 H ASN 28 -7.074 1.385 -4.112 901 HA ASN 28 HA ASN 28 -10.004 1.718 -4.220 902 HB2 ASN 28 2HB ASN 28 -9.988 2.135 -6.548 903 HB3 ASN 28 1HB ASN 28 -8.643 3.101 -5.971 904 HD21 ASN 28 1HD2 ASN 28 -6.455 2.154 -6.257 905 HD22 ASN 28 2HD2 ASN 28 -6.171 1.133 -7.630 906 H ARG 29 H ARG 29 -10.328 -0.099 -6.411 907 HA ARG 29 HA ARG 29 -9.215 -2.647 -5.555 908 HB2 ARG 29 2HB ARG 29 -12.212 -2.052 -5.743 909 HB3 ARG 29 1HB ARG 29 -11.547 -3.684 -5.767 910 HG2 ARG 29 2HG ARG 29 -10.675 -3.418 -3.506 911 HG3 ARG 29 1HG ARG 29 -11.191 -1.730 -3.472 912 HD2 ARG 29 2HD ARG 29 -12.746 -3.144 -2.215 913 HD3 ARG 29 1HD ARG 29 -13.547 -2.438 -3.622 914 HE ARG 29 HE ARG 29 -12.529 -5.218 -3.566 915 HH11 ARG 29 1HH1 ARG 29 -15.120 -2.949 -4.335 916 HH12 ARG 29 2HH1 ARG 29 -16.132 -4.172 -5.053 917 HH21 ARG 29 1HH2 ARG 29 -13.843 -6.792 -4.500 918 HH22 ARG 29 2HH2 ARG 29 -15.406 -6.359 -5.144 919 H VAL 30 H VAL 30 -8.492 -3.574 -7.359 920 HA VAL 30 HA VAL 30 -9.646 -2.866 -10.005 921 HB VAL 30 HB VAL 30 -6.687 -3.299 -9.320 922 HG11 VAL 30 1HG1 VAL 30 -7.929 -2.841 -12.058 923 HG12 VAL 30 2HG1 VAL 30 -7.154 -4.324 -11.494 924 HG13 VAL 30 3HG1 VAL 30 -6.196 -2.859 -11.705 925 HG21 VAL 30 3HG2 VAL 30 -7.457 -1.037 -8.763 926 HG22 VAL 30 1HG2 VAL 30 -8.085 -0.826 -10.399 927 HG23 VAL 30 2HG2 VAL 30 -6.345 -0.994 -10.132 928 H SER 31 H SER 31 -9.762 -4.518 -11.479 929 HA SER 31 HA SER 31 -9.203 -7.292 -10.628 930 HB2 SER 31 2HB SER 31 -11.602 -6.831 -11.179 931 HB3 SER 31 1HB SER 31 -11.119 -6.284 -12.786 932 HG SER 31 HG SER 31 -10.864 -8.890 -11.678 933 H TRP 32 H TRP 32 -7.381 -8.037 -11.570 934 HA TRP 32 HA TRP 32 -6.152 -6.495 -13.772 935 HB2 TRP 32 2HB TRP 32 -5.008 -8.360 -11.653 936 HB3 TRP 32 1HB TRP 32 -4.057 -7.791 -13.019 937 HD1 TRP 32 HD1 TRP 32 -5.408 -6.620 -9.631 938 HE1 TRP 32 HE1 TRP 32 -4.272 -4.365 -9.052 939 HE3 TRP 32 HE3 TRP 32 -3.205 -5.612 -14.144 940 HZ2 TRP 32 HZ2 TRP 32 -2.773 -2.391 -10.359 941 HZ3 TRP 32 HZ3 TRP 32 -1.936 -3.516 -14.396 942 HH2 TRP 32 HH2 TRP 32 -1.726 -1.939 -12.538 943 H ASN 33 H ASN 33 -6.264 -7.336 -15.712 944 HA ASN 33 HA ASN 33 -6.402 -8.695 -17.521 945 HB2 ASN 33 2HB ASN 33 -4.592 -10.355 -15.714 946 HB3 ASN 33 1HB ASN 33 -4.832 -10.698 -17.428 947 HD21 ASN 33 1HD2 ASN 33 -3.388 -8.534 -15.097 948 HD22 ASN 33 2HD2 ASN 33 -2.386 -7.676 -16.209 949 H ASP 34 H ASP 34 -8.662 -8.828 -16.069 950 HA ASP 34 HA ASP 34 -10.656 -9.890 -15.917 951 HB2 ASP 34 2HB ASP 34 -10.150 -10.578 -18.258 952 HB3 ASP 34 1HB ASP 34 -9.332 -12.012 -17.669 953 H ALA 35 H ALA 35 -8.216 -10.671 -14.070 954 HA ALA 35 HA ALA 35 -9.026 -13.322 -13.087 955 HB1 ALA 35 3HB ALA 35 -6.735 -11.515 -12.206 956 HB2 ALA 35 1HB ALA 35 -6.623 -12.849 -13.360 957 HB3 ALA 35 2HB ALA 35 -7.018 -13.175 -11.676 958 H GLU 36 H GLU 36 -8.725 -13.342 -10.525 959 HA GLU 36 HA GLU 36 -10.852 -12.335 -9.173 960 HB2 GLU 36 2HB GLU 36 -8.083 -12.841 -8.034 961 HB3 GLU 36 1HB GLU 36 -9.551 -12.723 -7.070 962 HG2 GLU 36 2HG GLU 36 -8.930 -14.840 -9.154 963 HG3 GLU 36 1HG GLU 36 -8.905 -15.058 -7.409 964 HA PRO 37 HA PRO 37 -9.940 -7.840 -8.799 965 HB2 PRO 37 2HB PRO 37 -12.248 -7.187 -7.425 966 HB3 PRO 37 1HB PRO 37 -12.200 -7.416 -9.182 967 HG2 PRO 37 2HG PRO 37 -13.077 -9.349 -7.063 968 HG3 PRO 37 1HG PRO 37 -13.834 -8.979 -8.630 969 HD2 PRO 37 2HD PRO 37 -12.299 -11.183 -8.281 970 HD3 PRO 37 1HD PRO 37 -12.341 -10.307 -9.827 971 H LYS 38 H LYS 38 -8.896 -6.753 -7.185 972 HA LYS 38 HA LYS 38 -9.145 -7.547 -4.405 973 HB2 LYS 38 2HB LYS 38 -6.681 -7.936 -4.175 974 HB3 LYS 38 1HB LYS 38 -7.506 -9.155 -5.135 975 HG2 LYS 38 2HG LYS 38 -6.662 -8.038 -7.209 976 HG3 LYS 38 1HG LYS 38 -5.784 -6.888 -6.190 977 HD2 LYS 38 2HD LYS 38 -4.295 -8.706 -6.966 978 HD3 LYS 38 1HD LYS 38 -4.465 -8.729 -5.209 979 HE2 LYS 38 2HE LYS 38 -6.183 -10.541 -5.456 980 HE3 LYS 38 1HE LYS 38 -5.863 -10.561 -7.192 981 HZ1 LYS 38 3HZ LYS 38 -3.977 -11.255 -5.006 982 HZ2 LYS 38 1HZ LYS 38 -3.505 -11.061 -6.618 983 HZ3 LYS 38 2HZ LYS 38 -4.598 -12.280 -6.198 984 H TYR 39 H TYR 39 -7.404 -6.260 -3.117 985 HA TYR 39 HA TYR 39 -8.181 -3.518 -3.490 986 HB2 TYR 39 2HB TYR 39 -6.477 -4.835 -1.328 987 HB3 TYR 39 1HB TYR 39 -7.182 -3.216 -1.253 988 HD1 TYR 39 HD1 TYR 39 -7.928 -6.847 -1.070 989 HD2 TYR 39 HD2 TYR 39 -9.591 -2.914 -0.904 990 HE1 TYR 39 HE1 TYR 39 -10.028 -7.773 -0.185 991 HE2 TYR 39 HE2 TYR 39 -11.679 -3.836 -0.019 992 HH TYR 39 HH TYR 39 -12.899 -5.898 0.054 993 H ASP 40 H ASP 40 -7.004 -2.015 -4.332 994 HA ASP 40 HA ASP 40 -4.181 -2.538 -5.100 995 HB2 ASP 40 2HB ASP 40 -5.945 -2.549 -6.968 996 HB3 ASP 40 1HB ASP 40 -6.194 -0.837 -6.648 997 H ILE 41 H ILE 41 -2.706 -1.004 -4.432 998 HA ILE 41 HA ILE 41 -3.721 1.585 -3.443 999 HB ILE 41 HB ILE 41 -3.609 0.316 -1.387 1000 HG12 ILE 41 2HG1 ILE 41 -1.165 2.134 -1.582 1001 HG13 ILE 41 1HG1 ILE 41 -2.811 2.660 -1.263 1002 HG21 ILE 41 1HG2 ILE 41 -1.610 -0.827 -0.549 1003 HG22 ILE 41 2HG2 ILE 41 -0.759 -0.447 -2.047 1004 HG23 ILE 41 3HG2 ILE 41 -2.154 -1.524 -2.079 1005 HD11 ILE 41 3HD1 ILE 41 -1.500 2.667 0.754 1006 HD12 ILE 41 1HD1 ILE 41 -1.096 0.962 0.554 1007 HD13 ILE 41 2HD1 ILE 41 -2.764 1.446 0.877 1008 H ARG 42 H ARG 42 -2.677 3.105 -4.356 1009 HA ARG 42 HA ARG 42 0.100 3.335 -4.826 1010 HB2 ARG 42 2HB ARG 42 0.280 3.113 -7.267 1011 HB3 ARG 42 1HB ARG 42 -0.139 1.588 -6.512 1012 HG2 ARG 42 2HG ARG 42 -2.337 1.627 -7.363 1013 HG3 ARG 42 1HG ARG 42 -2.233 3.347 -7.766 1014 HD2 ARG 42 2HD ARG 42 -2.026 1.700 -9.718 1015 HD3 ARG 42 1HD ARG 42 -0.801 2.961 -9.604 1016 HE ARG 42 HE ARG 42 0.811 1.361 -9.144 1017 HH11 ARG 42 1HH1 ARG 42 -2.357 -0.194 -9.179 1018 HH12 ARG 42 2HH1 ARG 42 -1.694 -1.794 -9.199 1019 HH21 ARG 42 1HH2 ARG 42 1.652 -0.748 -9.118 1020 HH22 ARG 42 2HH2 ARG 42 0.576 -2.109 -9.168 1021 H THR 43 H THR 43 0.477 4.985 -6.874 1022 HA THR 43 HA THR 43 -1.372 7.205 -6.426 1023 HB THR 43 HB THR 43 1.451 7.280 -7.613 1024 HG1 THR 43 HG1 THR 43 0.680 6.929 -5.018 1025 HG21 THR 43 3HG2 THR 43 1.350 9.672 -6.962 1026 HG22 THR 43 1HG2 THR 43 -0.302 9.443 -6.380 1027 HG23 THR 43 2HG2 THR 43 0.063 9.261 -8.100 1028 H TRP 44 H TRP 44 -2.697 7.565 -8.063 1029 HA TRP 44 HA TRP 44 -2.192 6.465 -10.777 1030 HB2 TRP 44 2HB TRP 44 -4.795 7.070 -9.298 1031 HB3 TRP 44 1HB TRP 44 -4.731 6.698 -11.011 1032 HD1 TRP 44 HD1 TRP 44 -4.667 5.032 -7.587 1033 HE1 TRP 44 HE1 TRP 44 -4.937 2.489 -7.923 1034 HE3 TRP 44 HE3 TRP 44 -4.081 4.796 -12.655 1035 HZ2 TRP 44 HZ2 TRP 44 -4.892 0.637 -10.030 1036 HZ3 TRP 44 HZ3 TRP 44 -4.209 2.601 -13.758 1037 HH2 TRP 44 HH2 TRP 44 -4.607 0.559 -12.472 1038 H SER 45 H SER 45 -2.878 7.814 -12.520 1039 HA SER 45 HA SER 45 -2.657 10.643 -12.331 1040 HB2 SER 45 2HB SER 45 -3.682 10.598 -14.656 1041 HB3 SER 45 1HB SER 45 -2.298 9.529 -14.461 1042 HG SER 45 HG SER 45 -4.163 7.948 -13.882 1043 HA PRO 46 HA PRO 46 -6.960 11.974 -11.249 1044 HB2 PRO 46 2HB PRO 46 -7.276 13.856 -13.365 1045 HB3 PRO 46 1HB PRO 46 -6.628 14.202 -11.753 1046 HG2 PRO 46 2HG PRO 46 -5.142 13.624 -14.288 1047 HG3 PRO 46 1HG PRO 46 -4.773 14.801 -13.006 1048 HD2 PRO 46 2HD PRO 46 -3.399 12.528 -13.155 1049 HD3 PRO 46 1HD PRO 46 -3.897 13.152 -11.565 1050 H ASP 47 H ASP 47 -5.963 10.997 -14.481 1051 HA ASP 47 HA ASP 47 -8.641 10.416 -15.456 1052 HB2 ASP 47 2HB ASP 47 -5.906 9.792 -16.676 1053 HB3 ASP 47 1HB ASP 47 -7.453 9.679 -17.511 1054 H HIS 48 H HIS 48 -6.408 8.784 -13.498 1055 HA HIS 48 HA HIS 48 -6.178 6.736 -12.648 1056 HB2 HIS 48 2HB HIS 48 -9.087 6.887 -13.315 1057 HB3 HIS 48 1HB HIS 48 -8.488 5.269 -12.997 1058 HD1 HIS 48 HD1 HIS 48 -9.938 8.033 -11.242 1059 HD2 HIS 48 HD2 HIS 48 -7.017 5.216 -10.381 1060 HE1 HIS 48 HE1 HIS 48 -9.749 7.993 -8.737 1061 HE2 HIS 48 HE2 HIS 48 -8.159 6.112 -8.250 1062 H GLU 49 H GLU 49 -5.626 7.118 -15.624 1063 HA GLU 49 HA GLU 49 -5.738 4.305 -16.566 1064 HB2 GLU 49 2HB GLU 49 -5.322 5.167 -18.802 1065 HB3 GLU 49 1HB GLU 49 -6.668 6.049 -18.085 1066 HG2 GLU 49 2HG GLU 49 -5.292 7.998 -17.690 1067 HG3 GLU 49 1HG GLU 49 -3.827 7.119 -18.136 1068 H LYS 50 H LYS 50 -3.642 6.543 -15.166 1069 HA LYS 50 HA LYS 50 -1.194 5.293 -16.259 1070 HB2 LYS 50 2HB LYS 50 -1.661 8.119 -15.234 1071 HB3 LYS 50 1HB LYS 50 -0.061 7.464 -15.475 1072 HG2 LYS 50 2HG LYS 50 -1.938 7.463 -17.821 1073 HG3 LYS 50 1HG LYS 50 -1.269 9.007 -17.294 1074 HD2 LYS 50 2HD LYS 50 0.179 8.186 -19.008 1075 HD3 LYS 50 1HD LYS 50 1.043 7.977 -17.489 1076 HE2 LYS 50 2HE LYS 50 0.427 5.586 -17.479 1077 HE3 LYS 50 1HE LYS 50 -0.426 5.803 -19.010 1078 HZ1 LYS 50 3HZ LYS 50 1.669 6.461 -20.030 1079 HZ2 LYS 50 1HZ LYS 50 1.778 4.910 -19.378 1080 HZ3 LYS 50 2HZ LYS 50 2.486 6.217 -18.573 1081 H MET 51 H MET 51 -0.042 4.208 -14.825 1082 HA MET 51 HA MET 51 -0.598 4.497 -11.925 1083 HB2 MET 51 2HB MET 51 -0.236 2.060 -11.702 1084 HB3 MET 51 1HB MET 51 -1.593 2.415 -12.757 1085 HG2 MET 51 2HG MET 51 -0.168 1.931 -14.722 1086 HG3 MET 51 1HG MET 51 1.173 1.549 -13.637 1087 HE1 MET 51 3HE MET 51 1.404 -0.870 -14.860 1088 HE2 MET 51 1HE MET 51 0.038 -0.488 -15.911 1089 HE3 MET 51 2HE MET 51 0.058 -2.000 -15.004 1090 H GLY 52 H GLY 52 1.190 3.661 -10.556 1091 HA2 GLY 52 2HA GLY 52 3.857 3.428 -11.704 1092 HA3 GLY 52 1HA GLY 52 3.570 4.875 -10.735 1093 H LYS 53 H LYS 53 4.629 4.510 -8.859 1094 HA LYS 53 HA LYS 53 5.264 2.029 -7.743 1095 HB2 LYS 53 2HB LYS 53 5.227 4.830 -6.567 1096 HB3 LYS 53 1HB LYS 53 5.675 3.444 -5.585 1097 HG2 LYS 53 2HG LYS 53 7.690 4.490 -6.347 1098 HG3 LYS 53 1HG LYS 53 7.530 2.948 -7.187 1099 HD2 LYS 53 2HD LYS 53 6.721 4.148 -9.209 1100 HD3 LYS 53 1HD LYS 53 6.880 5.685 -8.355 1101 HE2 LYS 53 2HE LYS 53 9.328 5.283 -8.135 1102 HE3 LYS 53 1HE LYS 53 9.148 3.779 -9.043 1103 HZ1 LYS 53 3HZ LYS 53 8.531 6.504 -10.069 1104 HZ2 LYS 53 1HZ LYS 53 8.360 5.065 -10.937 1105 HZ3 LYS 53 2HZ LYS 53 9.891 5.586 -10.461 1106 H GLY 54 H GLY 54 3.853 0.529 -6.948 1107 HA2 GLY 54 2HA GLY 54 2.252 0.906 -4.723 1108 HA3 GLY 54 1HA GLY 54 1.222 1.073 -6.129 1109 H ILE 55 H ILE 55 0.401 -0.874 -4.699 1110 HA ILE 55 HA ILE 55 1.550 -3.396 -5.656 1111 HB ILE 55 HB ILE 55 2.876 -2.918 -3.650 1112 HG12 ILE 55 2HG1 ILE 55 0.841 -5.123 -3.101 1113 HG13 ILE 55 1HG1 ILE 55 2.313 -5.282 -4.048 1114 HG21 ILE 55 1HG2 ILE 55 1.930 -2.645 -1.408 1115 HG22 ILE 55 2HG2 ILE 55 0.296 -2.727 -2.072 1116 HG23 ILE 55 3HG2 ILE 55 1.351 -1.378 -2.496 1117 HD11 ILE 55 3HD1 ILE 55 2.165 -4.747 -1.085 1118 HD12 ILE 55 1HD1 ILE 55 3.646 -4.874 -2.042 1119 HD13 ILE 55 2HD1 ILE 55 2.582 -6.267 -1.876 1120 H THR 56 H THR 56 0.209 -5.156 -5.404 1121 HA THR 56 HA THR 56 -2.673 -4.684 -5.048 1122 HB THR 56 HB THR 56 -2.855 -7.014 -6.083 1123 HG1 THR 56 HG1 THR 56 -0.727 -7.728 -5.577 1124 HG21 THR 56 3HG2 THR 56 -3.114 -4.988 -7.471 1125 HG22 THR 56 1HG2 THR 56 -2.319 -6.283 -8.369 1126 HG23 THR 56 2HG2 THR 56 -1.366 -4.942 -7.732 1127 H LEU 57 H LEU 57 -3.843 -5.763 -3.519 1128 HA LEU 57 HA LEU 57 -2.544 -7.520 -1.539 1129 HB2 LEU 57 2HB LEU 57 -4.459 -5.206 -0.948 1130 HB3 LEU 57 1HB LEU 57 -3.827 -6.327 0.246 1131 HG LEU 57 HG LEU 57 -2.199 -4.261 -1.290 1132 HD11 LEU 57 1HD1 LEU 57 -3.061 -4.294 1.628 1133 HD12 LEU 57 2HD1 LEU 57 -3.688 -3.231 0.365 1134 HD13 LEU 57 3HD1 LEU 57 -2.006 -3.099 0.867 1135 HD21 LEU 57 3HD2 LEU 57 -1.334 -6.213 0.868 1136 HD22 LEU 57 1HD2 LEU 57 -0.347 -4.890 0.233 1137 HD23 LEU 57 2HD2 LEU 57 -0.832 -6.212 -0.826 1138 H SER 58 H SER 58 -3.792 -9.299 -1.219 1139 HA SER 58 HA SER 58 -6.458 -9.510 -2.459 1140 HB2 SER 58 2HB SER 58 -4.850 -11.662 -1.015 1141 HB3 SER 58 1HB SER 58 -6.246 -11.900 -2.074 1142 HG SER 58 HG SER 58 -3.622 -11.107 -2.735 1143 H GLU 59 H GLU 59 -8.064 -10.870 -0.940 1144 HA GLU 59 HA GLU 59 -8.847 -9.139 1.125 1145 HB2 GLU 59 2HB GLU 59 -9.689 -12.040 0.787 1146 HB3 GLU 59 1HB GLU 59 -10.579 -10.774 1.631 1147 HG2 GLU 59 2HG GLU 59 -10.959 -9.586 -0.466 1148 HG3 GLU 59 1HG GLU 59 -9.986 -10.771 -1.342 1149 H GLU 60 H GLU 60 -6.954 -12.134 1.254 1150 HA GLU 60 HA GLU 60 -6.763 -12.521 4.012 1151 HB2 GLU 60 2HB GLU 60 -4.723 -13.055 1.810 1152 HB3 GLU 60 1HB GLU 60 -4.576 -13.665 3.455 1153 HG2 GLU 60 2HG GLU 60 -6.629 -14.996 3.157 1154 HG3 GLU 60 1HG GLU 60 -6.814 -14.358 1.524 1155 H GLU 61 H GLU 61 -4.491 -10.759 1.856 1156 HA GLU 61 HA GLU 61 -2.721 -9.812 3.800 1157 HB2 GLU 61 2HB GLU 61 -3.461 -8.642 1.083 1158 HB3 GLU 61 1HB GLU 61 -2.153 -8.017 2.077 1159 HG2 GLU 61 2HG GLU 61 -0.950 -9.369 0.695 1160 HG3 GLU 61 1HG GLU 61 -1.288 -10.516 1.979 1161 H PHE 62 H PHE 62 -5.444 -8.178 2.251 1162 HA PHE 62 HA PHE 62 -5.338 -5.741 3.596 1163 HB2 PHE 62 2HB PHE 62 -6.521 -6.242 1.434 1164 HB3 PHE 62 1HB PHE 62 -7.760 -7.103 2.339 1165 HD1 PHE 62 HD2 PHE 62 -6.114 -3.764 2.013 1166 HD2 PHE 62 HD1 PHE 62 -9.639 -5.899 3.157 1167 HE1 PHE 62 HE2 PHE 62 -7.316 -1.646 2.285 1168 HE2 PHE 62 HE1 PHE 62 -10.836 -3.771 3.430 1169 HZ PHE 62 HZ PHE 62 -9.679 -1.646 2.990 1170 H GLY 63 H GLY 63 -7.181 -8.732 4.352 1171 HA2 GLY 63 2HA GLY 63 -8.660 -7.784 6.520 1172 HA3 GLY 63 1HA GLY 63 -8.174 -9.449 6.262 1173 H VAL 64 H VAL 64 -5.486 -9.437 6.521 1174 HA VAL 64 HA VAL 64 -4.938 -9.319 9.276 1175 HB VAL 64 HB VAL 64 -3.000 -9.311 6.918 1176 HG11 VAL 64 1HG1 VAL 64 -1.822 -8.585 8.944 1177 HG12 VAL 64 2HG1 VAL 64 -1.288 -10.191 8.454 1178 HG13 VAL 64 3HG1 VAL 64 -2.400 -10.012 9.814 1179 HG21 VAL 64 3HG2 VAL 64 -2.839 -11.745 7.241 1180 HG22 VAL 64 1HG2 VAL 64 -4.503 -11.264 6.907 1181 HG23 VAL 64 2HG2 VAL 64 -4.017 -11.663 8.555 1182 H LEU 65 H LEU 65 -4.351 -6.983 6.639 1183 HA LEU 65 HA LEU 65 -2.907 -5.005 7.962 1184 HB2 LEU 65 2HB LEU 65 -3.388 -5.197 5.476 1185 HB3 LEU 65 1HB LEU 65 -5.012 -4.628 5.798 1186 HG LEU 65 HG LEU 65 -3.938 -2.468 6.708 1187 HD11 LEU 65 1HD1 LEU 65 -1.678 -3.315 7.073 1188 HD12 LEU 65 2HD1 LEU 65 -1.674 -1.935 5.981 1189 HD13 LEU 65 3HD1 LEU 65 -1.471 -3.567 5.338 1190 HD21 LEU 65 3HD2 LEU 65 -3.657 -1.506 4.466 1191 HD22 LEU 65 1HD2 LEU 65 -5.055 -2.581 4.521 1192 HD23 LEU 65 2HD2 LEU 65 -3.553 -3.124 3.766 1193 H LEU 66 H LEU 66 -6.497 -5.222 7.454 1194 HA LEU 66 HA LEU 66 -7.378 -2.965 8.793 1195 HB2 LEU 66 2HB LEU 66 -8.706 -5.711 8.598 1196 HB3 LEU 66 1HB LEU 66 -9.541 -4.265 9.139 1197 HG LEU 66 HG LEU 66 -8.366 -4.623 6.358 1198 HD11 LEU 66 1HD1 LEU 66 -10.664 -4.909 5.560 1199 HD12 LEU 66 2HD1 LEU 66 -11.268 -4.857 7.219 1200 HD13 LEU 66 3HD1 LEU 66 -10.225 -6.181 6.699 1201 HD21 LEU 66 3HD2 LEU 66 -9.666 -2.624 5.780 1202 HD22 LEU 66 1HD2 LEU 66 -8.460 -2.286 7.018 1203 HD23 LEU 66 2HD2 LEU 66 -10.160 -2.445 7.466 1204 H LYS 67 H LYS 67 -6.917 -6.241 10.055 1205 HA LYS 67 HA LYS 67 -7.823 -5.903 12.692 1206 HB2 LYS 67 2HB LYS 67 -5.879 -7.859 11.403 1207 HB3 LYS 67 1HB LYS 67 -6.415 -8.025 13.074 1208 HG2 LYS 67 2HG LYS 67 -8.636 -8.526 12.460 1209 HG3 LYS 67 1HG LYS 67 -8.453 -7.829 10.849 1210 HD2 LYS 67 2HD LYS 67 -8.591 -10.339 10.861 1211 HD3 LYS 67 1HD LYS 67 -7.135 -9.707 10.094 1212 HE2 LYS 67 2HE LYS 67 -5.807 -10.268 12.043 1213 HE3 LYS 67 1HE LYS 67 -7.253 -10.744 12.944 1214 HZ1 LYS 67 3HZ LYS 67 -6.095 -12.675 12.081 1215 HZ2 LYS 67 1HZ LYS 67 -6.207 -12.094 10.502 1216 HZ3 LYS 67 2HZ LYS 67 -7.606 -12.532 11.339 1217 H GLU 68 H GLU 68 -4.467 -5.972 11.479 1218 HA GLU 68 HA GLU 68 -3.273 -5.362 13.975 1219 HB2 GLU 68 2HB GLU 68 -2.227 -5.302 11.138 1220 HB3 GLU 68 1HB GLU 68 -1.210 -4.920 12.522 1221 HG2 GLU 68 2HG GLU 68 -2.635 -7.551 12.053 1222 HG3 GLU 68 1HG GLU 68 -0.922 -7.242 11.778 1223 H LEU 69 H LEU 69 -4.445 -3.296 11.381 1224 HA LEU 69 HA LEU 69 -3.191 -0.882 12.286 1225 HB2 LEU 69 2HB LEU 69 -5.600 -1.365 10.489 1226 HB3 LEU 69 1HB LEU 69 -4.994 0.242 10.853 1227 HG LEU 69 HG LEU 69 -3.523 -1.938 9.317 1228 HD11 LEU 69 1HD1 LEU 69 -5.261 -0.808 8.016 1229 HD12 LEU 69 2HD1 LEU 69 -3.655 -0.397 7.422 1230 HD13 LEU 69 3HD1 LEU 69 -4.555 0.764 8.405 1231 HD21 LEU 69 3HD2 LEU 69 -2.536 0.826 10.043 1232 HD22 LEU 69 1HD2 LEU 69 -1.722 -0.340 8.995 1233 HD23 LEU 69 2HD2 LEU 69 -1.939 -0.703 10.705 1234 H GLY 70 H GLY 70 -6.372 -2.390 12.777 1235 HA2 GLY 70 2HA GLY 70 -7.591 -0.466 14.420 1236 HA3 GLY 70 1HA GLY 70 -7.944 -2.184 14.424 1237 H ASN 71 H ASN 71 -5.337 -3.033 15.168 1238 HA ASN 71 HA ASN 71 -5.302 -2.743 18.029 1239 HB2 ASN 71 2HB ASN 71 -3.104 -3.754 16.164 1240 HB3 ASN 71 1HB ASN 71 -3.129 -3.966 17.914 1241 HD21 ASN 71 1HD2 ASN 71 -3.046 -5.999 15.811 1242 HD22 ASN 71 2HD2 ASN 71 -4.435 -6.998 16.040 1243 H LYS 72 H LYS 72 -2.913 -1.676 15.621 1244 HA LYS 72 HA LYS 72 -1.498 0.205 17.068 1245 HB2 LYS 72 2HB LYS 72 -2.099 0.282 14.085 1246 HB3 LYS 72 1HB LYS 72 -0.834 1.227 14.874 1247 HG2 LYS 72 2HG LYS 72 0.335 -0.817 15.532 1248 HG3 LYS 72 1HG LYS 72 -0.967 -1.802 14.862 1249 HD2 LYS 72 2HD LYS 72 -0.443 -0.767 12.592 1250 HD3 LYS 72 1HD LYS 72 0.990 -0.046 13.336 1251 HE2 LYS 72 2HE LYS 72 0.378 -3.014 13.116 1252 HE3 LYS 72 1HE LYS 72 1.577 -2.124 12.182 1253 HZ1 LYS 72 3HZ LYS 72 1.636 -2.587 15.118 1254 HZ2 LYS 72 1HZ LYS 72 2.768 -1.667 14.267 1255 HZ3 LYS 72 2HZ LYS 72 2.628 -3.323 13.970 1256 H LEU 73 H LEU 73 -4.784 0.656 15.997 1257 HA LEU 73 HA LEU 73 -4.848 3.519 16.096 1258 HB2 LEU 73 2HB LEU 73 -7.046 1.434 16.354 1259 HB3 LEU 73 1HB LEU 73 -7.382 3.160 16.415 1260 HG LEU 73 HG LEU 73 -6.216 1.640 14.053 1261 HD11 LEU 73 1HD1 LEU 73 -8.902 3.006 14.340 1262 HD12 LEU 73 2HD1 LEU 73 -8.612 1.264 14.319 1263 HD13 LEU 73 3HD1 LEU 73 -8.277 2.227 12.882 1264 HD21 LEU 73 3HD2 LEU 73 -5.194 3.849 14.194 1265 HD22 LEU 73 1HD2 LEU 73 -6.788 4.602 14.291 1266 HD23 LEU 73 2HD2 LEU 73 -6.294 3.754 12.826 1267 H GLU 74 H GLU 74 -4.733 1.118 18.505 1268 HA GLU 74 HA GLU 74 -5.731 2.739 20.712 1269 HB2 GLU 74 2HB GLU 74 -4.107 0.159 20.838 1270 HB3 GLU 74 1HB GLU 74 -5.021 0.898 22.153 1271 HG2 GLU 74 2HG GLU 74 -7.121 0.517 20.766 1272 HG3 GLU 74 1HG GLU 74 -6.120 -0.420 19.656 1273 H HIS 75 H HIS 75 -2.624 1.617 19.471 1274 HA HIS 75 HA HIS 75 -1.185 3.663 21.047 1275 HB2 HIS 75 2HB HIS 75 0.733 2.016 21.212 1276 HB3 HIS 75 1HB HIS 75 -0.691 1.585 22.155 1277 HD1 HIS 75 HD1 HIS 75 -2.109 -0.467 21.283 1278 HD2 HIS 75 HD2 HIS 75 1.490 0.135 19.279 1279 HE1 HIS 75 HE1 HIS 75 -1.688 -2.579 19.992 1280 HE2 HIS 75 HE2 HIS 75 0.458 -2.159 18.743 1281 H HIS 76 H HIS 76 -1.053 5.109 19.406 1282 HA HIS 76 HA HIS 76 0.973 4.539 17.325 1283 HB2 HIS 76 2HB HIS 76 -1.258 4.521 16.201 1284 HB3 HIS 76 1HB HIS 76 -1.617 6.120 16.852 1285 HD1 HIS 76 HD1 HIS 76 -0.980 8.038 15.357 1286 HD2 HIS 76 HD2 HIS 76 1.060 4.549 14.388 1287 HE1 HIS 76 HE1 HIS 76 0.425 8.608 13.347 1288 HE2 HIS 76 HE2 HIS 76 1.861 6.577 13.029 1289 H HIS 77 H HIS 77 2.404 6.297 16.997 1290 HA HIS 77 HA HIS 77 2.615 7.992 19.339 1291 HB2 HIS 77 2HB HIS 77 4.527 6.630 18.307 1292 HB3 HIS 77 1HB HIS 77 4.573 7.814 17.008 1293 HD1 HIS 77 HD1 HIS 77 5.779 7.180 20.430 1294 HD2 HIS 77 HD2 HIS 77 5.486 10.457 17.897 1295 HE1 HIS 77 HE1 HIS 77 7.245 8.946 21.439 1296 HE2 HIS 77 HE2 HIS 77 7.167 10.851 19.804 1297 H HIS 78 H HIS 78 0.528 9.061 18.348 1298 HA HIS 78 HA HIS 78 1.434 11.770 17.832 1299 HB2 HIS 78 2HB HIS 78 0.850 10.755 15.536 1300 HB3 HIS 78 1HB HIS 78 -0.817 10.652 16.091 1301 HD1 HIS 78 HD1 HIS 78 1.866 13.217 15.314 1302 HD2 HIS 78 HD2 HIS 78 -2.253 13.049 15.834 1303 HE1 HIS 78 HE1 HIS 78 1.018 15.494 14.701 1304 HE2 HIS 78 HE2 HIS 78 -1.480 15.351 14.971 1305 H HIS 79 H HIS 79 -0.263 9.647 19.635 1306 HA HIS 79 HA HIS 79 -2.193 11.661 20.615 1307 HB2 HIS 79 2HB HIS 79 -3.184 9.904 21.954 1308 HB3 HIS 79 1HB HIS 79 -3.017 9.306 20.317 1309 HD1 HIS 79 HD1 HIS 79 -1.999 7.056 20.092 1310 HD2 HIS 79 HD2 HIS 79 -1.134 8.742 23.787 1311 HE1 HIS 79 HE1 HIS 79 -0.893 5.244 21.428 1312 HE2 HIS 79 HE2 HIS 79 -0.575 6.232 23.707 1313 H HIS 80 H HIS 80 0.582 12.273 20.927 1314 HA HIS 80 HA HIS 80 1.456 12.481 23.434 1315 HB2 HIS 80 2HB HIS 80 0.968 9.919 23.613 1316 HB3 HIS 80 1HB HIS 80 2.416 9.691 22.642 1317 HD1 HIS 80 HD1 HIS 80 4.685 10.707 23.761 1318 HD2 HIS 80 HD2 HIS 80 1.423 10.266 26.306 1319 HE1 HIS 80 HE1 HIS 80 5.622 10.857 26.094 1320 HE2 HIS 80 HE2 HIS 80 3.610 10.727 27.595 Start of MODEL 14 1 H1 MET 1 1H MET 1 18.869 17.196 -5.814 2 H2 MET 1 2H MET 1 17.664 17.372 -4.648 3 H3 MET 1 3H MET 1 17.422 17.975 -6.207 4 HA MET 1 HA MET 1 16.201 15.933 -5.857 5 HB2 MET 1 2HB MET 1 18.549 15.668 -7.791 6 HB3 MET 1 1HB MET 1 17.094 14.678 -7.851 7 HG2 MET 1 2HG MET 1 15.759 16.735 -8.259 8 HG3 MET 1 1HG MET 1 17.257 17.668 -8.292 9 HE1 MET 1 3HE MET 1 16.197 17.625 -12.079 10 HE2 MET 1 1HE MET 1 16.718 18.650 -10.742 11 HE3 MET 1 2HE MET 1 15.167 17.807 -10.659 12 H ALA 2 H ALA 2 16.800 13.407 -6.211 13 HA ALA 2 HA ALA 2 18.827 12.519 -4.272 14 HB1 ALA 2 3HB ALA 2 17.169 11.123 -3.082 15 HB2 ALA 2 1HB ALA 2 15.871 11.787 -4.081 16 HB3 ALA 2 2HB ALA 2 16.753 12.831 -2.964 17 H ASP 3 H ASP 3 20.014 11.473 -5.818 18 HA ASP 3 HA ASP 3 18.880 10.137 -8.092 19 HB2 ASP 3 2HB ASP 3 20.993 11.361 -8.277 20 HB3 ASP 3 1HB ASP 3 21.746 10.339 -7.059 21 H LYS 4 H LYS 4 21.230 8.787 -5.737 22 HA LYS 4 HA LYS 4 19.815 6.181 -5.775 23 HB2 LYS 4 2HB LYS 4 22.078 5.983 -6.607 24 HB3 LYS 4 1HB LYS 4 22.727 6.955 -5.292 25 HG2 LYS 4 2HG LYS 4 22.195 5.151 -3.689 26 HG3 LYS 4 1HG LYS 4 21.536 4.175 -5.006 27 HD2 LYS 4 2HD LYS 4 23.726 4.021 -6.066 28 HD3 LYS 4 1HD LYS 4 24.417 5.158 -4.903 29 HE2 LYS 4 2HE LYS 4 25.015 2.786 -4.424 30 HE3 LYS 4 1HE LYS 4 24.145 3.556 -3.098 31 HZ1 LYS 4 3HZ LYS 4 23.393 1.282 -3.602 32 HZ2 LYS 4 1HZ LYS 4 22.872 1.797 -5.126 33 HZ3 LYS 4 2HZ LYS 4 22.155 2.421 -3.726 34 H LEU 5 H LEU 5 18.854 5.560 -3.866 35 HA LEU 5 HA LEU 5 18.765 7.611 -1.793 36 HB2 LEU 5 2HB LEU 5 17.080 5.093 -2.080 37 HB3 LEU 5 1HB LEU 5 16.797 6.400 -0.936 38 HG LEU 5 HG LEU 5 16.500 6.542 -3.966 39 HD11 LEU 5 1HD1 LEU 5 14.647 5.405 -2.833 40 HD12 LEU 5 2HD1 LEU 5 14.134 6.947 -3.508 41 HD13 LEU 5 3HD1 LEU 5 14.421 6.799 -1.771 42 HD21 LEU 5 3HD2 LEU 5 17.406 8.660 -3.210 43 HD22 LEU 5 1HD2 LEU 5 16.184 8.776 -1.939 44 HD23 LEU 5 2HD2 LEU 5 15.710 8.858 -3.638 45 H LYS 6 H LYS 6 18.761 7.083 0.432 46 HA LYS 6 HA LYS 6 20.292 4.694 1.324 47 HB2 LYS 6 2HB LYS 6 19.929 7.408 2.700 48 HB3 LYS 6 1HB LYS 6 20.808 6.045 3.377 49 HG2 LYS 6 2HG LYS 6 21.606 7.467 0.821 50 HG3 LYS 6 1HG LYS 6 22.240 7.882 2.413 51 HD2 LYS 6 2HD LYS 6 22.530 5.155 1.086 52 HD3 LYS 6 1HD LYS 6 23.766 6.414 1.090 53 HE2 LYS 6 2HE LYS 6 23.817 6.303 3.592 54 HE3 LYS 6 1HE LYS 6 22.667 4.967 3.525 55 HZ1 LYS 6 3HZ LYS 6 24.946 4.178 3.750 56 HZ2 LYS 6 1HZ LYS 6 25.384 4.965 2.317 57 HZ3 LYS 6 2HZ LYS 6 24.285 3.686 2.275 58 H PHE 7 H PHE 7 19.200 3.427 3.025 59 HA PHE 7 HA PHE 7 16.708 4.535 4.101 60 HB2 PHE 7 2HB PHE 7 15.427 2.508 3.550 61 HB3 PHE 7 1HB PHE 7 15.994 3.306 2.102 62 HD1 PHE 7 HD1 PHE 7 17.954 2.291 0.826 63 HD2 PHE 7 HD2 PHE 7 15.963 0.203 3.992 64 HE1 PHE 7 HE1 PHE 7 18.863 0.160 0.005 65 HE2 PHE 7 HE2 PHE 7 16.888 -1.922 3.163 66 HZ PHE 7 HZ PHE 7 18.334 -1.945 1.170 67 H GLU 8 H GLU 8 16.108 3.731 6.119 68 HA GLU 8 HA GLU 8 17.476 1.337 7.164 69 HB2 GLU 8 2HB GLU 8 18.669 3.255 8.165 70 HB3 GLU 8 1HB GLU 8 17.143 3.992 8.651 71 HG2 GLU 8 2HG GLU 8 16.715 2.061 10.181 72 HG3 GLU 8 1HG GLU 8 18.259 1.360 9.702 73 H ILE 9 H ILE 9 15.998 -0.013 8.077 74 HA ILE 9 HA ILE 9 13.192 0.704 8.004 75 HB ILE 9 HB ILE 9 14.400 -1.873 9.110 76 HG12 ILE 9 2HG1 ILE 9 13.342 -1.330 6.293 77 HG13 ILE 9 1HG1 ILE 9 15.049 -1.404 6.710 78 HG21 ILE 9 1HG2 ILE 9 11.574 -1.249 8.145 79 HG22 ILE 9 2HG2 ILE 9 12.056 -1.486 9.827 80 HG23 ILE 9 3HG2 ILE 9 12.146 -2.829 8.687 81 HD11 ILE 9 3HD1 ILE 9 14.792 -3.744 7.353 82 HD12 ILE 9 1HD1 ILE 9 14.318 -3.451 5.682 83 HD13 ILE 9 2HD1 ILE 9 13.082 -3.676 6.918 84 H ILE 10 H ILE 10 12.342 1.864 9.530 85 HA ILE 10 HA ILE 10 13.579 2.304 12.113 86 HB ILE 10 HB ILE 10 11.058 3.488 10.849 87 HG12 ILE 10 2HG1 ILE 10 13.090 4.159 9.650 88 HG13 ILE 10 1HG1 ILE 10 12.459 5.536 10.543 89 HG21 ILE 10 1HG2 ILE 10 12.447 4.354 13.420 90 HG22 ILE 10 2HG2 ILE 10 10.855 3.601 13.294 91 HG23 ILE 10 3HG2 ILE 10 11.120 5.212 12.628 92 HD11 ILE 10 3HD1 ILE 10 14.175 5.152 12.288 93 HD12 ILE 10 1HD1 ILE 10 14.856 5.468 10.692 94 HD13 ILE 10 2HD1 ILE 10 14.820 3.823 11.317 95 H GLU 11 H GLU 11 10.537 0.935 10.791 96 HA GLU 11 HA GLU 11 10.202 -0.712 13.183 97 HB2 GLU 11 2HB GLU 11 9.037 1.474 13.693 98 HB3 GLU 11 1HB GLU 11 8.011 1.224 12.283 99 HG2 GLU 11 2HG GLU 11 6.847 0.629 14.364 100 HG3 GLU 11 1HG GLU 11 7.035 -0.773 13.312 101 H GLU 12 H GLU 12 9.088 -2.601 12.718 102 HA GLU 12 HA GLU 12 7.938 -2.972 10.005 103 HB2 GLU 12 2HB GLU 12 8.684 -5.064 12.104 104 HB3 GLU 12 1HB GLU 12 8.106 -5.401 10.474 105 HG2 GLU 12 2HG GLU 12 10.138 -4.298 9.543 106 HG3 GLU 12 1HG GLU 12 10.718 -4.019 11.184 107 H LEU 13 H LEU 13 5.717 -3.182 9.771 108 HA LEU 13 HA LEU 13 4.155 -2.808 12.276 109 HB2 LEU 13 2HB LEU 13 3.401 -2.078 9.418 110 HB3 LEU 13 1HB LEU 13 2.435 -1.750 10.848 111 HG LEU 13 HG LEU 13 5.123 -0.492 10.169 112 HD11 LEU 13 1HD1 LEU 13 3.297 0.398 8.827 113 HD12 LEU 13 2HD1 LEU 13 3.842 1.598 9.993 114 HD13 LEU 13 3HD1 LEU 13 2.340 0.713 10.276 115 HD21 LEU 13 3HD2 LEU 13 4.796 0.903 12.178 116 HD22 LEU 13 1HD2 LEU 13 4.983 -0.803 12.577 117 HD23 LEU 13 2HD2 LEU 13 3.382 -0.059 12.618 118 H ILE 14 H ILE 14 3.743 -4.299 9.041 119 HA ILE 14 HA ILE 14 2.184 -6.536 10.171 120 HB ILE 14 HB ILE 14 1.129 -4.929 7.774 121 HG12 ILE 14 2HG1 ILE 14 0.062 -4.769 10.629 122 HG13 ILE 14 1HG1 ILE 14 0.955 -3.495 9.809 123 HG21 ILE 14 1HG2 ILE 14 -0.197 -7.069 9.481 124 HG22 ILE 14 2HG2 ILE 14 0.458 -7.304 7.859 125 HG23 ILE 14 3HG2 ILE 14 -0.932 -6.246 8.102 126 HD11 ILE 14 3HD1 ILE 14 -1.424 -3.047 9.835 127 HD12 ILE 14 1HD1 ILE 14 -1.748 -4.549 8.971 128 HD13 ILE 14 2HD1 ILE 14 -0.839 -3.254 8.187 129 H VAL 15 H VAL 15 3.042 -8.400 9.177 130 HA VAL 15 HA VAL 15 4.015 -8.201 6.394 131 HB VAL 15 HB VAL 15 3.920 -10.657 8.212 132 HG11 VAL 15 1HG1 VAL 15 5.266 -10.305 5.500 133 HG12 VAL 15 2HG1 VAL 15 3.833 -11.283 5.823 134 HG13 VAL 15 3HG1 VAL 15 5.385 -11.733 6.531 135 HG21 VAL 15 3HG2 VAL 15 5.505 -8.971 9.054 136 HG22 VAL 15 1HG2 VAL 15 6.283 -8.891 7.471 137 HG23 VAL 15 2HG2 VAL 15 6.368 -10.376 8.425 138 H LEU 16 H LEU 16 2.673 -8.584 4.711 139 HA LEU 16 HA LEU 16 -0.098 -9.404 5.273 140 HB2 LEU 16 2HB LEU 16 1.115 -8.254 2.730 141 HB3 LEU 16 1HB LEU 16 -0.596 -8.548 3.006 142 HG LEU 16 HG LEU 16 1.095 -6.561 4.579 143 HD11 LEU 16 1HD1 LEU 16 -0.952 -6.041 2.405 144 HD12 LEU 16 2HD1 LEU 16 0.792 -5.799 2.283 145 HD13 LEU 16 3HD1 LEU 16 -0.154 -4.810 3.393 146 HD21 LEU 16 3HD2 LEU 16 -1.018 -5.797 5.530 147 HD22 LEU 16 1HD2 LEU 16 -0.740 -7.494 5.906 148 HD23 LEU 16 2HD2 LEU 16 -1.896 -7.049 4.648 149 H SER 17 H SER 17 2.812 -10.581 3.749 150 HA SER 17 HA SER 17 2.014 -13.211 3.483 151 HB2 SER 17 2HB SER 17 0.520 -12.446 1.651 152 HB3 SER 17 1HB SER 17 1.888 -11.744 0.805 153 HG SER 17 HG SER 17 1.235 -13.843 0.062 154 H GLU 18 H GLU 18 3.603 -14.482 2.365 155 HA GLU 18 HA GLU 18 6.326 -13.310 2.235 156 HB2 GLU 18 2HB GLU 18 5.993 -14.189 4.517 157 HB3 GLU 18 1HB GLU 18 5.471 -15.744 3.876 158 HG2 GLU 18 2HG GLU 18 7.762 -16.062 2.901 159 HG3 GLU 18 1HG GLU 18 8.253 -14.542 3.646 160 H ASN 19 H ASN 19 7.725 -14.349 0.790 161 HA ASN 19 HA ASN 19 6.339 -16.072 -1.211 162 HB2 ASN 19 2HB ASN 19 7.640 -13.961 -1.839 163 HB3 ASN 19 1HB ASN 19 9.113 -14.794 -1.381 164 HD21 ASN 19 1HD2 ASN 19 8.103 -13.633 -3.929 165 HD22 ASN 19 2HD2 ASN 19 8.287 -14.885 -5.107 166 H ALA 20 H ALA 20 7.434 -18.036 -2.034 167 HA ALA 20 HA ALA 20 8.620 -19.796 -0.204 168 HB1 ALA 20 3HB ALA 20 7.614 -20.527 -2.332 169 HB2 ALA 20 1HB ALA 20 9.260 -21.141 -2.179 170 HB3 ALA 20 2HB ALA 20 8.924 -19.762 -3.231 171 H LYS 21 H LYS 21 10.101 -17.673 -2.642 172 HA LYS 21 HA LYS 21 12.833 -18.042 -1.887 173 HB2 LYS 21 2HB LYS 21 11.628 -15.591 -3.260 174 HB3 LYS 21 1HB LYS 21 13.287 -16.170 -3.378 175 HG2 LYS 21 2HG LYS 21 10.838 -17.580 -4.466 176 HG3 LYS 21 1HG LYS 21 11.978 -16.640 -5.418 177 HD2 LYS 21 2HD LYS 21 12.900 -19.055 -3.831 178 HD3 LYS 21 1HD LYS 21 12.157 -19.247 -5.417 179 HE2 LYS 21 2HE LYS 21 14.543 -19.255 -5.706 180 HE3 LYS 21 1HE LYS 21 13.927 -17.745 -6.367 181 HZ1 LYS 21 3HZ LYS 21 15.300 -18.113 -3.755 182 HZ2 LYS 21 1HZ LYS 21 14.624 -16.655 -4.282 183 HZ3 LYS 21 2HZ LYS 21 15.912 -17.339 -5.124 184 H GLY 22 H GLY 22 10.289 -16.379 -0.382 185 HA2 GLY 22 2HA GLY 22 10.572 -15.910 1.949 186 HA3 GLY 22 1HA GLY 22 12.098 -15.119 1.581 187 H TRP 23 H TRP 23 10.910 -13.882 -0.869 188 HA TRP 23 HA TRP 23 10.810 -11.315 -0.044 189 HB2 TRP 23 2HB TRP 23 9.443 -12.556 -2.455 190 HB3 TRP 23 1HB TRP 23 9.441 -10.819 -2.185 191 HD1 TRP 23 HD1 TRP 23 12.105 -13.647 -2.578 192 HE1 TRP 23 HE1 TRP 23 14.096 -12.663 -3.854 193 HE3 TRP 23 HE3 TRP 23 10.495 -8.796 -2.990 194 HZ2 TRP 23 HZ2 TRP 23 14.894 -10.159 -4.916 195 HZ3 TRP 23 HZ3 TRP 23 11.931 -7.171 -4.162 196 HH2 TRP 23 HH2 TRP 23 14.087 -7.843 -5.102 197 H ARG 24 H ARG 24 9.544 -10.260 1.392 198 HA ARG 24 HA ARG 24 6.824 -11.278 1.936 199 HB2 ARG 24 2HB ARG 24 8.688 -9.558 3.627 200 HB3 ARG 24 1HB ARG 24 7.036 -9.959 4.079 201 HG2 ARG 24 2HG ARG 24 7.624 -12.348 4.161 202 HG3 ARG 24 1HG ARG 24 9.281 -11.964 3.681 203 HD2 ARG 24 2HD ARG 24 9.638 -10.713 5.739 204 HD3 ARG 24 1HD ARG 24 7.945 -10.919 6.207 205 HE ARG 24 HE ARG 24 9.072 -13.459 5.841 206 HH11 ARG 24 1HH1 ARG 24 9.480 -10.741 8.054 207 HH12 ARG 24 2HH1 ARG 24 9.984 -11.745 9.377 208 HH21 ARG 24 1HH2 ARG 24 9.616 -14.763 7.599 209 HH22 ARG 24 2HH2 ARG 24 10.061 -14.041 9.117 210 H LYS 25 H LYS 25 5.229 -10.155 0.998 211 HA LYS 25 HA LYS 25 5.555 -7.314 0.362 212 HB2 LYS 25 2HB LYS 25 3.164 -7.498 -0.472 213 HB3 LYS 25 1HB LYS 25 4.326 -8.521 -1.301 214 HG2 LYS 25 2HG LYS 25 3.537 -10.452 0.058 215 HG3 LYS 25 1HG LYS 25 2.309 -9.409 0.773 216 HD2 LYS 25 2HD LYS 25 2.548 -10.068 -2.193 217 HD3 LYS 25 1HD LYS 25 1.417 -10.824 -1.072 218 HE2 LYS 25 2HE LYS 25 0.370 -8.589 -0.686 219 HE3 LYS 25 1HE LYS 25 1.454 -7.903 -1.900 220 HZ1 LYS 25 3HZ LYS 25 -0.751 -8.462 -2.783 221 HZ2 LYS 25 1HZ LYS 25 -0.500 -10.087 -2.408 222 HZ3 LYS 25 2HZ LYS 25 0.472 -9.322 -3.562 223 H GLU 26 H GLU 26 5.696 -6.172 2.158 224 HA GLU 26 HA GLU 26 3.760 -6.581 4.367 225 HB2 GLU 26 2HB GLU 26 5.604 -6.269 5.973 226 HB3 GLU 26 1HB GLU 26 5.922 -7.641 4.916 227 HG2 GLU 26 2HG GLU 26 7.478 -6.243 3.574 228 HG3 GLU 26 1HG GLU 26 7.167 -4.879 4.647 229 H LEU 27 H LEU 27 3.537 -4.806 5.797 230 HA LEU 27 HA LEU 27 4.080 -2.123 4.770 231 HB2 LEU 27 2HB LEU 27 1.726 -2.582 5.244 232 HB3 LEU 27 1HB LEU 27 2.121 -3.177 6.848 233 HG LEU 27 HG LEU 27 2.866 -0.847 7.480 234 HD11 LEU 27 1HD1 LEU 27 1.706 -0.042 4.802 235 HD12 LEU 27 2HD1 LEU 27 3.402 0.051 5.280 236 HD13 LEU 27 3HD1 LEU 27 2.205 1.064 6.085 237 HD21 LEU 27 3HD2 LEU 27 0.645 -1.693 8.071 238 HD22 LEU 27 1HD2 LEU 27 -0.004 -1.081 6.548 239 HD23 LEU 27 2HD2 LEU 27 0.612 0.039 7.764 240 H ASN 28 H ASN 28 5.755 -1.187 5.642 241 HA ASN 28 HA ASN 28 6.496 -1.481 8.489 242 HB2 ASN 28 2HB ASN 28 8.912 -1.551 7.807 243 HB3 ASN 28 1HB ASN 28 8.015 -2.949 7.220 244 HD21 ASN 28 1HD2 ASN 28 9.549 0.040 6.305 245 HD22 ASN 28 2HD2 ASN 28 9.633 -0.279 4.611 246 H ARG 29 H ARG 29 8.255 0.312 8.946 247 HA ARG 29 HA ARG 29 7.789 2.807 7.460 248 HB2 ARG 29 2HB ARG 29 8.506 2.422 10.412 249 HB3 ARG 29 1HB ARG 29 8.303 3.975 9.600 250 HG2 ARG 29 2HG ARG 29 5.955 3.637 9.320 251 HG3 ARG 29 1HG ARG 29 6.070 1.939 9.790 252 HD2 ARG 29 2HD ARG 29 5.105 3.259 11.599 253 HD3 ARG 29 1HD ARG 29 6.679 2.622 12.083 254 HE ARG 29 HE ARG 29 6.753 5.313 11.001 255 HH11 ARG 29 1HH1 ARG 29 6.370 3.410 13.939 256 HH12 ARG 29 2HH1 ARG 29 6.838 4.717 14.979 257 HH21 ARG 29 1HH2 ARG 29 7.346 7.017 12.400 258 HH22 ARG 29 2HH2 ARG 29 7.386 6.747 14.114 259 H VAL 30 H VAL 30 9.577 3.597 6.501 260 HA VAL 30 HA VAL 30 12.285 2.827 7.443 261 HB VAL 30 HB VAL 30 11.171 2.912 4.600 262 HG11 VAL 30 1HG1 VAL 30 13.476 2.701 3.702 263 HG12 VAL 30 2HG1 VAL 30 14.113 3.034 5.316 264 HG13 VAL 30 3HG1 VAL 30 13.186 4.268 4.463 265 HG21 VAL 30 3HG2 VAL 30 11.138 0.744 5.796 266 HG22 VAL 30 1HG2 VAL 30 12.884 0.840 6.006 267 HG23 VAL 30 2HG2 VAL 30 12.197 0.699 4.386 268 H SER 31 H SER 31 13.890 4.440 7.201 269 HA SER 31 HA SER 31 12.979 7.236 6.851 270 HB2 SER 31 2HB SER 31 15.117 7.822 8.052 271 HB3 SER 31 1HB SER 31 14.019 6.868 9.050 272 HG SER 31 HG SER 31 15.843 5.773 9.309 273 H TRP 32 H TRP 32 13.672 8.179 5.008 274 HA TRP 32 HA TRP 32 15.643 6.756 3.313 275 HB2 TRP 32 2HB TRP 32 13.339 8.602 2.531 276 HB3 TRP 32 1HB TRP 32 14.528 7.969 1.398 277 HD1 TRP 32 HD1 TRP 32 11.345 6.962 3.246 278 HE1 TRP 32 HE1 TRP 32 10.541 4.683 2.342 279 HE3 TRP 32 HE3 TRP 32 15.490 5.649 0.533 280 HZ2 TRP 32 HZ2 TRP 32 11.566 2.582 0.773 281 HZ3 TRP 32 HZ3 TRP 32 15.500 3.474 -0.628 282 HH2 TRP 32 HH2 TRP 32 13.573 1.970 -0.510 283 H ASN 33 H ASN 33 17.515 7.686 3.101 284 HA ASN 33 HA ASN 33 19.254 9.157 2.929 285 HB2 ASN 33 2HB ASN 33 16.986 10.946 1.981 286 HB3 ASN 33 1HB ASN 33 18.660 11.485 1.956 287 HD21 ASN 33 1HD2 ASN 33 16.702 10.996 -0.215 288 HD22 ASN 33 2HD2 ASN 33 17.529 9.955 -1.313 289 H ASP 34 H ASP 34 18.282 8.820 5.524 290 HA ASP 34 HA ASP 34 18.368 9.603 7.651 291 HB2 ASP 34 2HB ASP 34 20.075 11.836 6.460 292 HB3 ASP 34 1HB ASP 34 19.953 11.463 8.172 293 H ALA 35 H ALA 35 16.235 10.662 5.762 294 HA ALA 35 HA ALA 35 15.541 13.270 6.998 295 HB1 ALA 35 3HB ALA 35 15.659 13.265 4.535 296 HB2 ALA 35 1HB ALA 35 14.002 13.536 5.076 297 HB3 ALA 35 2HB ALA 35 14.481 11.953 4.457 298 H GLU 36 H GLU 36 12.792 13.160 6.540 299 HA GLU 36 HA GLU 36 11.646 12.080 8.756 300 HB2 GLU 36 2HB GLU 36 9.441 12.254 7.616 301 HB3 GLU 36 1HB GLU 36 10.453 13.667 7.341 302 HG2 GLU 36 2HG GLU 36 10.980 12.953 5.085 303 HG3 GLU 36 1HG GLU 36 10.176 11.405 5.334 304 HA PRO 37 HA PRO 37 11.217 7.588 7.864 305 HB2 PRO 37 2HB PRO 37 9.905 6.951 10.208 306 HB3 PRO 37 1HB PRO 37 11.667 7.131 10.110 307 HG2 PRO 37 2HG PRO 37 9.639 9.074 11.135 308 HG3 PRO 37 1HG PRO 37 11.262 8.707 11.758 309 HD2 PRO 37 2HD PRO 37 10.703 10.917 10.228 310 HD3 PRO 37 1HD PRO 37 12.303 10.147 10.279 311 H LYS 38 H LYS 38 9.539 6.709 6.713 312 HA LYS 38 HA LYS 38 6.798 7.699 7.064 313 HB2 LYS 38 2HB LYS 38 6.569 8.031 4.667 314 HB3 LYS 38 1HB LYS 38 7.965 8.953 5.208 315 HG2 LYS 38 2HG LYS 38 9.435 7.042 4.412 316 HG3 LYS 38 1HG LYS 38 7.988 6.311 3.710 317 HD2 LYS 38 2HD LYS 38 9.125 7.502 1.950 318 HD3 LYS 38 1HD LYS 38 7.670 8.420 2.351 319 HE2 LYS 38 2HE LYS 38 9.075 9.937 3.766 320 HE3 LYS 38 1HE LYS 38 10.507 9.041 3.246 321 HZ1 LYS 38 3HZ LYS 38 10.022 9.668 0.960 322 HZ2 LYS 38 1HZ LYS 38 10.197 11.039 1.932 323 HZ3 LYS 38 2HZ LYS 38 8.657 10.530 1.460 324 H TYR 39 H TYR 39 5.314 6.248 5.756 325 HA TYR 39 HA TYR 39 5.871 3.500 6.450 326 HB2 TYR 39 2HB TYR 39 3.379 4.747 5.205 327 HB3 TYR 39 1HB TYR 39 3.494 3.140 5.925 328 HD1 TYR 39 HD1 TYR 39 3.505 6.785 6.686 329 HD2 TYR 39 HD2 TYR 39 3.468 2.854 8.351 330 HE1 TYR 39 HE1 TYR 39 3.039 7.723 8.895 331 HE2 TYR 39 HE2 TYR 39 2.996 3.811 10.571 332 HH TYR 39 HH TYR 39 2.113 7.088 11.030 333 H ASP 40 H ASP 40 6.264 1.905 5.088 334 HA ASP 40 HA ASP 40 6.153 2.270 2.152 335 HB2 ASP 40 2HB ASP 40 8.204 0.743 3.837 336 HB3 ASP 40 1HB ASP 40 8.030 0.490 2.102 337 H ILE 41 H ILE 41 4.918 0.821 1.107 338 HA ILE 41 HA ILE 41 4.204 -1.710 2.431 339 HB ILE 41 HB ILE 41 2.220 -0.410 2.836 340 HG12 ILE 41 2HG1 ILE 41 1.708 -2.247 0.452 341 HG13 ILE 41 1HG1 ILE 41 1.862 -2.765 2.125 342 HG21 ILE 41 1HG2 ILE 41 2.091 0.319 -0.092 343 HG22 ILE 41 2HG2 ILE 41 2.543 1.406 1.221 344 HG23 ILE 41 3HG2 ILE 41 0.904 0.753 1.141 345 HD11 ILE 41 3HD1 ILE 41 -0.174 -1.500 2.682 346 HD12 ILE 41 1HD1 ILE 41 -0.450 -2.737 1.456 347 HD13 ILE 41 2HD1 ILE 41 -0.337 -1.042 0.984 348 H ARG 42 H ARG 42 5.200 -3.033 1.260 349 HA ARG 42 HA ARG 42 5.186 -3.297 -1.581 350 HB2 ARG 42 2HB ARG 42 7.642 -2.760 -2.001 351 HB3 ARG 42 1HB ARG 42 6.594 -1.376 -1.755 352 HG2 ARG 42 2HG ARG 42 7.460 -1.014 0.461 353 HG3 ARG 42 1HG ARG 42 8.378 -2.521 0.403 354 HD2 ARG 42 2HD ARG 42 9.576 -0.200 -0.092 355 HD3 ARG 42 1HD ARG 42 10.006 -1.643 -1.009 356 HE ARG 42 HE ARG 42 8.729 -0.830 -2.861 357 HH11 ARG 42 1HH1 ARG 42 9.120 1.624 -0.335 358 HH12 ARG 42 2HH1 ARG 42 8.758 2.926 -1.425 359 HH21 ARG 42 1HH2 ARG 42 8.244 0.880 -4.230 360 HH22 ARG 42 2HH2 ARG 42 8.264 2.508 -3.621 361 H THR 43 H THR 43 7.167 -4.780 -2.319 362 HA THR 43 HA THR 43 7.174 -7.004 -0.425 363 HB THR 43 HB THR 43 7.827 -7.003 -3.415 364 HG1 THR 43 HG1 THR 43 5.557 -6.391 -2.747 365 HG21 THR 43 3HG2 THR 43 8.715 -8.949 -2.162 366 HG22 THR 43 1HG2 THR 43 7.402 -9.444 -3.236 367 HG23 THR 43 2HG2 THR 43 7.109 -9.266 -1.503 368 H TRP 44 H TRP 44 9.043 -7.294 0.612 369 HA TRP 44 HA TRP 44 11.570 -6.096 -0.384 370 HB2 TRP 44 2HB TRP 44 10.593 -6.727 2.440 371 HB3 TRP 44 1HB TRP 44 12.262 -6.325 2.079 372 HD1 TRP 44 HD1 TRP 44 8.837 -4.696 2.547 373 HE1 TRP 44 HE1 TRP 44 9.203 -2.149 2.780 374 HE3 TRP 44 HE3 TRP 44 13.759 -4.412 1.182 375 HZ2 TRP 44 HZ2 TRP 44 11.243 -0.275 2.383 376 HZ3 TRP 44 HZ3 TRP 44 14.849 -2.202 1.137 377 HH2 TRP 44 HH2 TRP 44 13.614 -0.171 1.726 378 H SER 45 H SER 45 13.475 -7.360 -0.143 379 HA SER 45 HA SER 45 13.355 -10.207 -0.186 380 HB2 SER 45 2HB SER 45 15.692 -8.348 0.437 381 HB3 SER 45 1HB SER 45 15.822 -10.049 -0.017 382 HG SER 45 HG SER 45 14.856 -9.501 -2.016 383 HA PRO 46 HA PRO 46 13.185 -11.155 4.266 384 HB2 PRO 46 2HB PRO 46 14.940 -13.357 4.346 385 HB3 PRO 46 1HB PRO 46 13.223 -13.435 3.914 386 HG2 PRO 46 2HG PRO 46 15.604 -13.303 2.096 387 HG3 PRO 46 1HG PRO 46 14.132 -14.293 1.954 388 HD2 PRO 46 2HD PRO 46 14.430 -12.081 0.470 389 HD3 PRO 46 1HD PRO 46 12.840 -12.495 1.156 390 H ASP 47 H ASP 47 16.384 -11.046 2.704 391 HA ASP 47 HA ASP 47 17.795 -10.190 5.098 392 HB2 ASP 47 2HB ASP 47 18.661 -10.300 2.169 393 HB3 ASP 47 1HB ASP 47 19.736 -9.899 3.503 394 H HIS 48 H HIS 48 15.736 -8.641 2.976 395 HA HIS 48 HA HIS 48 15.227 -6.580 2.289 396 HB2 HIS 48 2HB HIS 48 16.683 -5.763 4.829 397 HB3 HIS 48 1HB HIS 48 15.593 -4.723 3.913 398 HD1 HIS 48 HD1 HIS 48 15.586 -6.956 6.730 399 HD2 HIS 48 HD2 HIS 48 12.850 -5.953 3.777 400 HE1 HIS 48 HE1 HIS 48 13.347 -7.673 7.608 401 HE2 HIS 48 HE2 HIS 48 11.695 -6.840 5.902 402 H GLU 49 H GLU 49 17.740 -7.755 1.385 403 HA GLU 49 HA GLU 49 19.615 -5.670 0.816 404 HB2 GLU 49 2HB GLU 49 20.591 -7.342 -0.772 405 HB3 GLU 49 1HB GLU 49 20.362 -7.991 0.848 406 HG2 GLU 49 2HG GLU 49 18.281 -9.125 0.083 407 HG3 GLU 49 1HG GLU 49 18.563 -8.508 -1.544 408 H LYS 50 H LYS 50 16.604 -6.725 -0.566 409 HA LYS 50 HA LYS 50 16.763 -4.693 -2.659 410 HB2 LYS 50 2HB LYS 50 15.905 -7.562 -3.235 411 HB3 LYS 50 1HB LYS 50 15.719 -6.210 -4.341 412 HG2 LYS 50 2HG LYS 50 18.307 -5.992 -4.188 413 HG3 LYS 50 1HG LYS 50 18.251 -7.611 -3.482 414 HD2 LYS 50 2HD LYS 50 18.653 -7.865 -5.855 415 HD3 LYS 50 1HD LYS 50 16.996 -8.380 -5.535 416 HE2 LYS 50 2HE LYS 50 16.165 -6.180 -6.315 417 HE3 LYS 50 1HE LYS 50 17.823 -5.674 -6.643 418 HZ1 LYS 50 3HZ LYS 50 16.742 -6.400 -8.654 419 HZ2 LYS 50 1HZ LYS 50 16.379 -7.902 -7.971 420 HZ3 LYS 50 2HZ LYS 50 17.984 -7.476 -8.266 421 H MET 51 H MET 51 14.530 -4.722 -3.807 422 HA MET 51 HA MET 51 12.248 -4.872 -2.003 423 HB2 MET 51 2HB MET 51 11.777 -2.445 -2.162 424 HB3 MET 51 1HB MET 51 13.339 -2.714 -1.402 425 HG2 MET 51 2HG MET 51 14.411 -2.250 -3.648 426 HG3 MET 51 1HG MET 51 12.821 -1.774 -4.232 427 HE1 MET 51 3HE MET 51 15.388 0.555 -1.179 428 HE2 MET 51 1HE MET 51 15.942 -0.830 -2.121 429 HE3 MET 51 2HE MET 51 14.802 -1.062 -0.794 430 H GLY 52 H GLY 52 10.242 -4.026 -3.268 431 HA2 GLY 52 2HA GLY 52 10.459 -4.134 -6.190 432 HA3 GLY 52 1HA GLY 52 9.653 -5.492 -5.415 433 H LYS 53 H LYS 53 7.655 -5.052 -6.384 434 HA LYS 53 HA LYS 53 6.474 -2.614 -6.886 435 HB2 LYS 53 2HB LYS 53 5.014 -5.211 -6.251 436 HB3 LYS 53 1HB LYS 53 4.308 -3.823 -7.069 437 HG2 LYS 53 2HG LYS 53 6.564 -5.547 -8.132 438 HG3 LYS 53 1HG LYS 53 4.878 -5.614 -8.644 439 HD2 LYS 53 2HD LYS 53 5.056 -3.277 -9.483 440 HD3 LYS 53 1HD LYS 53 6.755 -3.240 -8.995 441 HE2 LYS 53 2HE LYS 53 5.521 -5.067 -11.088 442 HE3 LYS 53 1HE LYS 53 6.578 -3.689 -11.390 443 HZ1 LYS 53 3HZ LYS 53 7.774 -5.790 -11.518 444 HZ2 LYS 53 1HZ LYS 53 7.351 -6.158 -9.920 445 HZ3 LYS 53 2HZ LYS 53 8.361 -4.847 -10.248 446 H GLY 54 H GLY 54 5.748 -0.984 -5.546 447 HA2 GLY 54 2HA GLY 54 3.811 -1.253 -3.644 448 HA3 GLY 54 1HA GLY 54 5.335 -1.337 -2.781 449 H ILE 55 H ILE 55 4.367 0.642 -1.797 450 HA ILE 55 HA ILE 55 5.018 3.090 -3.291 451 HB ILE 55 HB ILE 55 2.716 2.723 -3.975 452 HG12 ILE 55 2HG1 ILE 55 2.777 4.898 -1.837 453 HG13 ILE 55 1HG1 ILE 55 3.269 5.079 -3.516 454 HG21 ILE 55 1HG2 ILE 55 2.014 1.164 -2.218 455 HG22 ILE 55 2HG2 ILE 55 0.823 2.444 -2.453 456 HG23 ILE 55 3HG2 ILE 55 1.914 2.498 -1.066 457 HD11 ILE 55 3HD1 ILE 55 0.466 4.535 -2.535 458 HD12 ILE 55 1HD1 ILE 55 0.957 4.679 -4.227 459 HD13 ILE 55 2HD1 ILE 55 1.100 6.064 -3.146 460 H THR 56 H THR 56 5.309 4.891 -2.006 461 HA THR 56 HA THR 56 5.803 4.472 0.870 462 HB THR 56 HB THR 56 6.977 6.744 0.675 463 HG1 THR 56 HG1 THR 56 5.888 7.411 -1.269 464 HG21 THR 56 3HG2 THR 56 8.282 4.638 0.593 465 HG22 THR 56 1HG2 THR 56 8.987 5.872 -0.454 466 HG23 THR 56 2HG2 THR 56 8.041 4.557 -1.155 467 H LEU 57 H LEU 57 4.797 5.773 2.422 468 HA LEU 57 HA LEU 57 2.569 7.535 1.641 469 HB2 LEU 57 2HB LEU 57 2.486 5.315 3.740 470 HB3 LEU 57 1HB LEU 57 1.208 6.489 3.478 471 HG LEU 57 HG LEU 57 2.077 4.366 1.472 472 HD11 LEU 57 1HD1 LEU 57 -0.402 4.471 3.224 473 HD12 LEU 57 2HD1 LEU 57 0.958 3.357 3.391 474 HD13 LEU 57 3HD1 LEU 57 -0.070 3.276 1.965 475 HD21 LEU 57 3HD2 LEU 57 0.075 5.038 0.193 476 HD22 LEU 57 1HD2 LEU 57 1.245 6.350 0.331 477 HD23 LEU 57 2HD2 LEU 57 -0.209 6.359 1.332 478 H SER 58 H SER 58 2.258 9.236 3.042 479 HA SER 58 HA SER 58 4.285 9.819 5.075 480 HB2 SER 58 2HB SER 58 1.985 11.537 4.024 481 HB3 SER 58 1HB SER 58 3.326 12.091 5.030 482 HG SER 58 HG SER 58 3.238 12.094 2.441 483 H GLU 59 H GLU 59 3.457 10.758 7.229 484 HA GLU 59 HA GLU 59 1.758 8.929 8.536 485 HB2 GLU 59 2HB GLU 59 2.611 11.694 9.485 486 HB3 GLU 59 1HB GLU 59 1.945 10.413 10.498 487 HG2 GLU 59 2HG GLU 59 3.907 8.983 9.944 488 HG3 GLU 59 1HG GLU 59 4.587 10.310 9.005 489 H GLU 60 H GLU 60 1.108 12.154 7.196 490 HA GLU 60 HA GLU 60 -1.527 12.571 8.010 491 HB2 GLU 60 2HB GLU 60 -0.258 13.282 5.324 492 HB3 GLU 60 1HB GLU 60 -1.775 13.944 5.928 493 HG2 GLU 60 2HG GLU 60 -0.511 14.935 7.850 494 HG3 GLU 60 1HG GLU 60 0.983 14.370 7.102 495 H GLU 61 H GLU 61 -0.368 11.062 5.015 496 HA GLU 61 HA GLU 61 -2.895 10.522 3.859 497 HB2 GLU 61 2HB GLU 61 -0.215 9.197 3.248 498 HB3 GLU 61 1HB GLU 61 -1.604 9.298 2.167 499 HG2 GLU 61 2HG GLU 61 -1.334 11.654 1.869 500 HG3 GLU 61 1HG GLU 61 -0.180 11.766 3.198 501 H PHE 62 H PHE 62 -0.544 8.464 5.526 502 HA PHE 62 HA PHE 62 -1.975 6.039 5.463 503 HB2 PHE 62 2HB PHE 62 0.474 6.229 5.892 504 HB3 PHE 62 1HB PHE 62 0.141 6.973 7.451 505 HD1 PHE 62 HD2 PHE 62 -0.175 3.832 5.486 506 HD2 PHE 62 HD1 PHE 62 -0.378 5.602 9.383 507 HE1 PHE 62 HE2 PHE 62 -0.225 1.601 6.514 508 HE2 PHE 62 HE1 PHE 62 -0.415 3.371 10.387 509 HZ PHE 62 HZ PHE 62 -0.341 1.368 8.967 510 H GLY 63 H GLY 63 -1.885 8.729 7.846 511 HA2 GLY 63 2HA GLY 63 -3.558 7.658 9.809 512 HA3 GLY 63 1HA GLY 63 -3.394 9.364 9.427 513 H VAL 64 H VAL 64 -4.385 9.452 6.840 514 HA VAL 64 HA VAL 64 -7.187 9.462 7.089 515 HB VAL 64 HB VAL 64 -5.445 9.479 4.587 516 HG11 VAL 64 1HG1 VAL 64 -7.378 10.399 3.363 517 HG12 VAL 64 2HG1 VAL 64 -8.389 10.185 4.794 518 HG13 VAL 64 3HG1 VAL 64 -7.716 8.777 3.971 519 HG21 VAL 64 3HG2 VAL 64 -6.734 11.790 6.078 520 HG22 VAL 64 1HG2 VAL 64 -5.790 11.925 4.591 521 HG23 VAL 64 2HG2 VAL 64 -5.017 11.386 6.083 522 H LEU 65 H LEU 65 -4.914 7.063 5.707 523 HA LEU 65 HA LEU 65 -6.743 5.227 4.631 524 HB2 LEU 65 2HB LEU 65 -4.214 5.228 4.347 525 HB3 LEU 65 1HB LEU 65 -4.090 4.564 5.964 526 HG LEU 65 HG LEU 65 -5.494 2.561 5.106 527 HD11 LEU 65 1HD1 LEU 65 -5.497 2.147 2.704 528 HD12 LEU 65 2HD1 LEU 65 -4.795 3.740 2.406 529 HD13 LEU 65 3HD1 LEU 65 -6.409 3.601 3.103 530 HD21 LEU 65 3HD2 LEU 65 -3.077 2.395 5.520 531 HD22 LEU 65 1HD2 LEU 65 -2.738 3.009 3.898 532 HD23 LEU 65 2HD2 LEU 65 -3.541 1.450 4.107 533 H LEU 66 H LEU 66 -5.271 5.410 7.921 534 HA LEU 66 HA LEU 66 -6.482 3.175 9.092 535 HB2 LEU 66 2HB LEU 66 -5.624 5.795 10.397 536 HB3 LEU 66 1HB LEU 66 -6.000 4.322 11.265 537 HG LEU 66 HG LEU 66 -3.666 4.722 9.370 538 HD11 LEU 66 1HD1 LEU 66 -2.260 4.453 11.357 539 HD12 LEU 66 2HD1 LEU 66 -3.697 4.335 12.378 540 HD13 LEU 66 3HD1 LEU 66 -3.340 5.837 11.520 541 HD21 LEU 66 3HD2 LEU 66 -4.467 2.238 10.910 542 HD22 LEU 66 1HD2 LEU 66 -2.953 2.461 10.029 543 HD23 LEU 66 2HD2 LEU 66 -4.480 2.447 9.156 544 H LYS 67 H LYS 67 -7.552 6.550 8.882 545 HA LYS 67 HA LYS 67 -9.782 6.472 10.597 546 HB2 LYS 67 2HB LYS 67 -9.069 8.266 8.248 547 HB3 LYS 67 1HB LYS 67 -10.499 8.542 9.238 548 HG2 LYS 67 2HG LYS 67 -9.196 9.010 11.185 549 HG3 LYS 67 1HG LYS 67 -7.719 8.397 10.436 550 HD2 LYS 67 2HD LYS 67 -7.804 10.904 10.559 551 HD3 LYS 67 1HD LYS 67 -7.622 10.288 8.917 552 HE2 LYS 67 2HE LYS 67 -9.965 10.715 8.443 553 HE3 LYS 67 1HE LYS 67 -10.266 11.178 10.122 554 HZ1 LYS 67 3HZ LYS 67 -10.042 13.106 8.687 555 HZ2 LYS 67 1HZ LYS 67 -8.491 12.618 8.216 556 HZ3 LYS 67 2HZ LYS 67 -8.788 13.070 9.819 557 H GLU 68 H GLU 68 -9.634 6.236 7.047 558 HA GLU 68 HA GLU 68 -12.471 5.913 6.792 559 HB2 GLU 68 2HB GLU 68 -10.273 5.611 4.723 560 HB3 GLU 68 1HB GLU 68 -11.992 5.748 4.375 561 HG2 GLU 68 2HG GLU 68 -10.294 7.884 5.701 562 HG3 GLU 68 1HG GLU 68 -10.746 7.863 3.998 563 H LEU 69 H LEU 69 -9.696 3.689 6.813 564 HA LEU 69 HA LEU 69 -11.148 1.324 6.143 565 HB2 LEU 69 2HB LEU 69 -8.603 1.662 7.783 566 HB3 LEU 69 1HB LEU 69 -9.288 0.093 7.383 567 HG LEU 69 HG LEU 69 -8.174 2.120 5.410 568 HD11 LEU 69 1HD1 LEU 69 -6.446 0.439 4.979 569 HD12 LEU 69 2HD1 LEU 69 -7.134 -0.602 6.230 570 HD13 LEU 69 3HD1 LEU 69 -6.437 0.961 6.663 571 HD21 LEU 69 3HD2 LEU 69 -10.063 0.965 4.394 572 HD22 LEU 69 1HD2 LEU 69 -9.371 -0.601 4.835 573 HD23 LEU 69 2HD2 LEU 69 -8.540 0.445 3.680 574 H GLY 70 H GLY 70 -10.422 2.979 9.209 575 HA2 GLY 70 2HA GLY 70 -11.564 1.192 11.037 576 HA3 GLY 70 1HA GLY 70 -11.423 2.927 11.258 577 H ASN 71 H ASN 71 -13.017 3.754 9.124 578 HA ASN 71 HA ASN 71 -15.698 3.593 10.070 579 HB2 ASN 71 2HB ASN 71 -14.638 4.458 7.335 580 HB3 ASN 71 1HB ASN 71 -16.304 4.691 7.866 581 HD21 ASN 71 1HD2 ASN 71 -14.278 6.668 7.094 582 HD22 ASN 71 2HD2 ASN 71 -14.127 7.741 8.436 583 H LYS 72 H LYS 72 -14.346 2.280 7.050 584 HA LYS 72 HA LYS 72 -16.206 0.398 6.311 585 HB2 LYS 72 2HB LYS 72 -13.193 -0.002 6.143 586 HB3 LYS 72 1HB LYS 72 -14.384 -0.924 5.224 587 HG2 LYS 72 2HG LYS 72 -15.104 1.080 4.052 588 HG3 LYS 72 1HG LYS 72 -14.039 2.081 5.043 589 HD2 LYS 72 2HD LYS 72 -12.081 0.746 4.090 590 HD3 LYS 72 1HD LYS 72 -13.236 0.009 2.977 591 HE2 LYS 72 2HE LYS 72 -12.587 2.965 3.179 592 HE3 LYS 72 1HE LYS 72 -12.070 1.868 1.898 593 HZ1 LYS 72 3HZ LYS 72 -13.941 3.140 1.154 594 HZ2 LYS 72 1HZ LYS 72 -14.857 2.692 2.501 595 HZ3 LYS 72 2HZ LYS 72 -14.439 1.535 1.348 596 H LEU 73 H LEU 73 -13.995 0.024 9.038 597 HA LEU 73 HA LEU 73 -14.624 -2.789 9.458 598 HB2 LEU 73 2HB LEU 73 -12.975 -0.842 11.113 599 HB3 LEU 73 1HB LEU 73 -13.182 -2.542 11.517 600 HG LEU 73 HG LEU 73 -11.807 -1.454 9.029 601 HD11 LEU 73 1HD1 LEU 73 -10.627 -2.861 11.437 602 HD12 LEU 73 2HD1 LEU 73 -10.457 -1.152 11.030 603 HD13 LEU 73 3HD1 LEU 73 -9.748 -2.379 9.981 604 HD21 LEU 73 3HD2 LEU 73 -12.955 -3.531 8.472 605 HD22 LEU 73 1HD2 LEU 73 -12.215 -4.347 9.854 606 HD23 LEU 73 2HD2 LEU 73 -11.214 -3.789 8.511 607 H GLU 74 H GLU 74 -16.226 0.097 10.224 608 HA GLU 74 HA GLU 74 -17.737 -0.992 12.460 609 HB2 GLU 74 2HB GLU 74 -18.302 1.431 10.698 610 HB3 GLU 74 1HB GLU 74 -19.097 1.048 12.227 611 HG2 GLU 74 2HG GLU 74 -16.938 1.327 13.409 612 HG3 GLU 74 1HG GLU 74 -16.165 1.741 11.877 613 H HIS 75 H HIS 75 -17.553 -2.234 9.673 614 HA HIS 75 HA HIS 75 -20.412 -2.810 9.258 615 HB2 HIS 75 2HB HIS 75 -18.337 -2.518 7.003 616 HB3 HIS 75 1HB HIS 75 -20.010 -3.015 6.798 617 HD1 HIS 75 HD1 HIS 75 -21.785 -1.180 6.688 618 HD2 HIS 75 HD2 HIS 75 -17.982 0.256 7.531 619 HE1 HIS 75 HE1 HIS 75 -21.935 1.321 6.481 620 HE2 HIS 75 HE2 HIS 75 -19.655 2.165 7.115 621 H HIS 76 H HIS 76 -19.782 -4.422 10.821 622 HA HIS 76 HA HIS 76 -17.555 -6.114 10.626 623 HB2 HIS 76 2HB HIS 76 -20.180 -6.487 12.135 624 HB3 HIS 76 1HB HIS 76 -18.791 -7.556 12.325 625 HD1 HIS 76 HD1 HIS 76 -20.153 -5.497 14.476 626 HD2 HIS 76 HD2 HIS 76 -16.495 -5.155 12.531 627 HE1 HIS 76 HE1 HIS 76 -18.756 -3.999 15.923 628 HE2 HIS 76 HE2 HIS 76 -16.652 -3.629 14.597 629 H HIS 77 H HIS 77 -17.199 -7.279 8.897 630 HA HIS 77 HA HIS 77 -19.323 -8.974 7.709 631 HB2 HIS 77 2HB HIS 77 -17.990 -8.816 5.581 632 HB3 HIS 77 1HB HIS 77 -18.612 -7.262 6.119 633 HD1 HIS 77 HD1 HIS 77 -16.881 -5.464 6.795 634 HD2 HIS 77 HD2 HIS 77 -15.147 -9.045 5.615 635 HE1 HIS 77 HE1 HIS 77 -14.446 -4.965 6.500 636 HE2 HIS 77 HE2 HIS 77 -13.500 -7.065 5.515 637 H HIS 78 H HIS 78 -18.988 -11.115 7.736 638 HA HIS 78 HA HIS 78 -16.688 -12.311 8.966 639 HB2 HIS 78 2HB HIS 78 -18.956 -13.602 7.382 640 HB3 HIS 78 1HB HIS 78 -17.759 -14.483 8.323 641 HD1 HIS 78 HD1 HIS 78 -21.092 -13.755 8.608 642 HD2 HIS 78 HD2 HIS 78 -17.896 -13.092 11.182 643 HE1 HIS 78 HE1 HIS 78 -22.104 -13.552 10.892 644 HE2 HIS 78 HE2 HIS 78 -20.156 -13.107 12.422 645 H HIS 79 H HIS 79 -15.077 -13.575 7.973 646 HA HIS 79 HA HIS 79 -14.311 -12.547 5.328 647 HB2 HIS 79 2HB HIS 79 -12.678 -13.889 7.527 648 HB3 HIS 79 1HB HIS 79 -12.010 -13.381 5.973 649 HD1 HIS 79 HD1 HIS 79 -12.772 -12.133 9.326 650 HD2 HIS 79 HD2 HIS 79 -12.201 -10.479 5.562 651 HE1 HIS 79 HE1 HIS 79 -12.324 -9.698 9.720 652 HE2 HIS 79 HE2 HIS 79 -11.762 -8.791 7.454 653 H HIS 80 H HIS 80 -16.235 -14.248 4.910 654 HA HIS 80 HA HIS 80 -15.742 -16.906 4.379 655 HB2 HIS 80 2HB HIS 80 -17.518 -16.713 2.606 656 HB3 HIS 80 1HB HIS 80 -17.962 -15.972 4.136 657 HD1 HIS 80 HD1 HIS 80 -17.347 -15.188 0.560 658 HD2 HIS 80 HD2 HIS 80 -18.157 -13.114 4.071 659 HE1 HIS 80 HE1 HIS 80 -17.985 -12.872 -0.151 660 HE2 HIS 80 HE2 HIS 80 -18.589 -11.677 1.974 661 H1 MET 1 1H MET 1 -0.857 -15.019 -14.659 662 H2 MET 1 2H MET 1 -1.853 -15.340 -15.983 663 H3 MET 1 3H MET 1 -1.554 -13.746 -15.528 664 HA MET 1 HA MET 1 0.752 -13.954 -16.091 665 HB2 MET 1 2HB MET 1 -0.037 -16.768 -16.973 666 HB3 MET 1 1HB MET 1 1.509 -16.014 -17.351 667 HG2 MET 1 2HG MET 1 1.994 -15.865 -14.926 668 HG3 MET 1 1HG MET 1 0.473 -16.689 -14.588 669 HE1 MET 1 3HE MET 1 -0.006 -19.240 -15.280 670 HE2 MET 1 1HE MET 1 1.165 -20.258 -16.116 671 HE3 MET 1 2HE MET 1 0.412 -18.907 -16.963 672 H ALA 2 H ALA 2 0.632 -12.446 -17.651 673 HA ALA 2 HA ALA 2 -0.202 -13.131 -20.349 674 HB1 ALA 2 3HB ALA 2 -2.360 -12.416 -19.373 675 HB2 ALA 2 1HB ALA 2 -1.811 -11.252 -20.582 676 HB3 ALA 2 2HB ALA 2 -1.642 -10.887 -18.861 677 H ASP 3 H ASP 3 0.689 -11.676 -21.935 678 HA ASP 3 HA ASP 3 3.046 -10.231 -21.227 679 HB2 ASP 3 2HB ASP 3 2.923 -11.212 -23.445 680 HB3 ASP 3 1HB ASP 3 1.441 -10.343 -23.819 681 H LYS 4 H LYS 4 0.057 -8.966 -22.769 682 HA LYS 4 HA LYS 4 0.384 -6.376 -21.465 683 HB2 LYS 4 2HB LYS 4 -1.501 -5.628 -22.788 684 HB3 LYS 4 1HB LYS 4 -0.448 -6.548 -23.853 685 HG2 LYS 4 2HG LYS 4 -1.957 -8.504 -23.623 686 HG3 LYS 4 1HG LYS 4 -3.031 -7.546 -22.607 687 HD2 LYS 4 2HD LYS 4 -3.403 -5.982 -24.525 688 HD3 LYS 4 1HD LYS 4 -2.373 -7.001 -25.536 689 HE2 LYS 4 2HE LYS 4 -3.943 -8.882 -25.246 690 HE3 LYS 4 1HE LYS 4 -4.964 -7.881 -24.213 691 HZ1 LYS 4 3HZ LYS 4 -5.900 -7.910 -26.380 692 HZ2 LYS 4 1HZ LYS 4 -4.428 -7.502 -27.105 693 HZ3 LYS 4 2HZ LYS 4 -5.238 -6.374 -26.152 694 H LEU 5 H LEU 5 -0.624 -5.874 -19.578 695 HA LEU 5 HA LEU 5 -2.694 -7.696 -18.518 696 HB2 LEU 5 2HB LEU 5 -1.333 -5.439 -17.004 697 HB3 LEU 5 1HB LEU 5 -2.374 -6.688 -16.339 698 HG LEU 5 HG LEU 5 0.509 -6.929 -17.264 699 HD11 LEU 5 1HD1 LEU 5 0.108 -6.223 -14.942 700 HD12 LEU 5 2HD1 LEU 5 0.899 -7.795 -15.029 701 HD13 LEU 5 3HD1 LEU 5 -0.827 -7.699 -14.658 702 HD21 LEU 5 3HD2 LEU 5 0.470 -9.315 -17.007 703 HD22 LEU 5 1HD2 LEU 5 -0.726 -8.862 -18.217 704 HD23 LEU 5 2HD2 LEU 5 -1.241 -9.300 -16.587 705 H LYS 6 H LYS 6 -4.607 -6.740 -17.600 706 HA LYS 6 HA LYS 6 -5.394 -4.115 -18.745 707 HB2 LYS 6 2HB LYS 6 -7.184 -6.566 -18.379 708 HB3 LYS 6 1HB LYS 6 -7.699 -5.001 -18.973 709 HG2 LYS 6 2HG LYS 6 -5.789 -6.884 -20.383 710 HG3 LYS 6 1HG LYS 6 -7.489 -6.647 -20.788 711 HD2 LYS 6 2HD LYS 6 -5.259 -4.592 -21.037 712 HD3 LYS 6 1HD LYS 6 -6.078 -5.425 -22.357 713 HE2 LYS 6 2HE LYS 6 -7.325 -3.402 -20.464 714 HE3 LYS 6 1HE LYS 6 -6.915 -3.139 -22.154 715 HZ1 LYS 6 3HZ LYS 6 -8.976 -5.003 -21.122 716 HZ2 LYS 6 1HZ LYS 6 -8.552 -4.825 -22.750 717 HZ3 LYS 6 2HZ LYS 6 -9.248 -3.534 -21.910 718 H PHE 7 H PHE 7 -7.030 -2.976 -17.359 719 HA PHE 7 HA PHE 7 -7.473 -4.082 -14.671 720 HB2 PHE 7 2HB PHE 7 -6.884 -1.940 -13.598 721 HB3 PHE 7 1HB PHE 7 -5.502 -2.547 -14.490 722 HD1 PHE 7 HD1 PHE 7 -4.739 -1.396 -16.562 723 HD2 PHE 7 HD2 PHE 7 -7.984 0.176 -14.251 724 HE1 PHE 7 HE1 PHE 7 -4.534 0.773 -17.727 725 HE2 PHE 7 HE2 PHE 7 -7.769 2.330 -15.419 726 HZ PHE 7 HZ PHE 7 -6.049 2.633 -17.154 727 H GLU 8 H GLU 8 -9.492 -3.426 -13.768 728 HA GLU 8 HA GLU 8 -10.801 -1.077 -14.946 729 HB2 GLU 8 2HB GLU 8 -11.870 -3.064 -16.033 730 HB3 GLU 8 1HB GLU 8 -12.275 -3.708 -14.443 731 HG2 GLU 8 2HG GLU 8 -13.667 -1.674 -14.008 732 HG3 GLU 8 1HG GLU 8 -13.312 -1.102 -15.638 733 H ILE 9 H ILE 9 -11.676 0.174 -13.385 734 HA ILE 9 HA ILE 9 -11.158 -0.503 -10.602 735 HB ILE 9 HB ILE 9 -12.287 2.050 -11.837 736 HG12 ILE 9 2HG1 ILE 9 -9.541 1.364 -10.697 737 HG13 ILE 9 1HG1 ILE 9 -9.922 1.632 -12.395 738 HG21 ILE 9 1HG2 ILE 9 -11.498 1.556 -8.935 739 HG22 ILE 9 2HG2 ILE 9 -13.147 1.774 -9.522 740 HG23 ILE 9 3HG2 ILE 9 -11.995 3.106 -9.617 741 HD11 ILE 9 3HD1 ILE 9 -10.477 3.967 -11.871 742 HD12 ILE 9 1HD1 ILE 9 -8.813 3.539 -11.488 743 HD13 ILE 9 2HD1 ILE 9 -10.001 3.685 -10.193 744 H ILE 10 H ILE 10 -12.519 -1.691 -9.603 745 HA ILE 10 HA ILE 10 -15.327 -1.970 -10.317 746 HB ILE 10 HB ILE 10 -13.631 -3.372 -8.193 747 HG12 ILE 10 2HG1 ILE 10 -12.889 -3.948 -10.453 748 HG13 ILE 10 1HG1 ILE 10 -13.721 -5.330 -9.756 749 HG21 ILE 10 1HG2 ILE 10 -16.468 -4.047 -9.071 750 HG22 ILE 10 2HG2 ILE 10 -15.987 -3.408 -7.498 751 HG23 ILE 10 3HG2 ILE 10 -15.469 -5.021 -7.988 752 HD11 ILE 10 3HD1 ILE 10 -14.295 -5.063 -12.082 753 HD12 ILE 10 1HD1 ILE 10 -14.849 -3.414 -11.799 754 HD13 ILE 10 2HD1 ILE 10 -15.724 -4.775 -11.089 755 H GLU 11 H GLU 11 -13.274 -0.718 -7.685 756 HA GLU 11 HA GLU 11 -15.476 0.964 -6.723 757 HB2 GLU 11 2HB GLU 11 -15.636 -1.174 -5.427 758 HB3 GLU 11 1HB GLU 11 -13.959 -0.994 -4.925 759 HG2 GLU 11 2HG GLU 11 -15.440 -0.358 -3.112 760 HG3 GLU 11 1HG GLU 11 -14.557 1.055 -3.682 761 H GLU 12 H GLU 12 -14.699 2.878 -5.786 762 HA GLU 12 HA GLU 12 -11.787 3.180 -5.281 763 HB2 GLU 12 2HB GLU 12 -13.985 5.281 -5.531 764 HB3 GLU 12 1HB GLU 12 -12.309 5.643 -5.126 765 HG2 GLU 12 2HG GLU 12 -11.546 4.921 -7.304 766 HG3 GLU 12 1HG GLU 12 -13.137 4.283 -7.709 767 H LEU 13 H LEU 13 -11.087 3.157 -3.188 768 HA LEU 13 HA LEU 13 -13.172 2.817 -1.112 769 HB2 LEU 13 2HB LEU 13 -10.236 2.024 -1.129 770 HB3 LEU 13 1HB LEU 13 -11.305 1.800 0.246 771 HG LEU 13 HG LEU 13 -11.642 0.454 -2.468 772 HD11 LEU 13 1HD1 LEU 13 -9.701 -0.420 -1.275 773 HD12 LEU 13 2HD1 LEU 13 -10.991 -1.617 -1.329 774 HD13 LEU 13 3HD1 LEU 13 -10.684 -0.716 0.162 775 HD21 LEU 13 3HD2 LEU 13 -13.384 -0.896 -1.374 776 HD22 LEU 13 1HD2 LEU 13 -13.803 0.816 -1.385 777 HD23 LEU 13 2HD2 LEU 13 -13.215 0.063 0.099 778 H ILE 14 H ILE 14 -9.910 4.307 -1.360 779 HA ILE 14 HA ILE 14 -10.699 6.525 0.408 780 HB ILE 14 HB ILE 14 -8.155 4.902 0.963 781 HG12 ILE 14 2HG1 ILE 14 -10.745 4.807 2.572 782 HG13 ILE 14 1HG1 ILE 14 -10.157 3.519 1.529 783 HG21 ILE 14 1HG2 ILE 14 -8.047 7.280 1.627 784 HG22 ILE 14 2HG2 ILE 14 -8.051 6.236 3.050 785 HG23 ILE 14 3HG2 ILE 14 -9.522 7.091 2.581 786 HD11 ILE 14 3HD1 ILE 14 -8.762 4.529 4.006 787 HD12 ILE 14 1HD1 ILE 14 -8.223 3.216 2.955 788 HD13 ILE 14 2HD1 ILE 14 -9.724 3.058 3.861 789 H VAL 15 H VAL 15 -9.959 8.385 -0.589 790 HA VAL 15 HA VAL 15 -7.584 8.289 -2.321 791 HB VAL 15 HB VAL 15 -9.321 10.700 -1.601 792 HG11 VAL 15 1HG1 VAL 15 -7.224 10.389 -3.790 793 HG12 VAL 15 2HG1 VAL 15 -7.071 11.378 -2.336 794 HG13 VAL 15 3HG1 VAL 15 -8.267 11.797 -3.564 795 HG21 VAL 15 3HG2 VAL 15 -10.646 9.013 -2.799 796 HG22 VAL 15 1HG2 VAL 15 -9.430 8.939 -4.079 797 HG23 VAL 15 2HG2 VAL 15 -10.364 10.419 -3.827 798 H LEU 16 H LEU 16 -5.604 8.554 -1.452 799 HA LEU 16 HA LEU 16 -5.371 9.306 1.379 800 HB2 LEU 16 2HB LEU 16 -3.274 8.168 -0.514 801 HB3 LEU 16 1HB LEU 16 -3.063 8.418 1.214 802 HG LEU 16 HG LEU 16 -5.031 6.474 -0.059 803 HD11 LEU 16 1HD1 LEU 16 -2.729 5.685 -0.264 804 HD12 LEU 16 2HD1 LEU 16 -3.627 4.705 0.892 805 HD13 LEU 16 3HD1 LEU 16 -2.471 5.911 1.469 806 HD21 LEU 16 3HD2 LEU 16 -5.926 7.411 2.010 807 HD22 LEU 16 1HD2 LEU 16 -4.448 6.976 2.873 808 HD23 LEU 16 2HD2 LEU 16 -5.498 5.719 2.216 809 H SER 17 H SER 17 -4.551 10.516 -1.808 810 HA SER 17 HA SER 17 -4.203 13.141 -1.099 811 HB2 SER 17 2HB SER 17 -2.089 12.392 0.047 812 HB3 SER 17 1HB SER 17 -1.469 11.840 -1.504 813 HG SER 17 HG SER 17 -2.170 14.511 -0.807 814 H GLU 18 H GLU 18 -3.147 14.395 -2.847 815 HA GLU 18 HA GLU 18 -3.547 13.289 -5.560 816 HB2 GLU 18 2HB GLU 18 -5.584 14.528 -4.888 817 HB3 GLU 18 1HB GLU 18 -4.619 15.934 -4.448 818 HG2 GLU 18 2HG GLU 18 -3.963 16.236 -6.804 819 HG3 GLU 18 1HG GLU 18 -4.882 14.802 -7.255 820 H ASN 19 H ASN 19 -1.908 13.892 -6.976 821 HA ASN 19 HA ASN 19 0.454 14.995 -5.625 822 HB2 ASN 19 2HB ASN 19 0.559 13.020 -7.188 823 HB3 ASN 19 1HB ASN 19 0.222 14.099 -8.534 824 HD21 ASN 19 1HD2 ASN 19 2.154 13.621 -9.565 825 HD22 ASN 19 2HD2 ASN 19 3.699 14.111 -8.961 826 H ALA 20 H ALA 20 1.874 16.645 -6.683 827 HA ALA 20 HA ALA 20 0.621 19.056 -7.482 828 HB1 ALA 20 3HB ALA 20 2.849 18.951 -6.428 829 HB2 ALA 20 1HB ALA 20 2.894 19.852 -7.945 830 HB3 ALA 20 2HB ALA 20 3.504 18.195 -7.879 831 H LYS 21 H LYS 21 1.472 16.218 -9.263 832 HA LYS 21 HA LYS 21 0.947 17.510 -11.876 833 HB2 LYS 21 2HB LYS 21 1.860 14.651 -11.320 834 HB3 LYS 21 1HB LYS 21 1.766 15.434 -12.892 835 HG2 LYS 21 2HG LYS 21 3.725 15.990 -10.656 836 HG3 LYS 21 1HG LYS 21 4.068 15.382 -12.278 837 HD2 LYS 21 2HD LYS 21 3.267 17.616 -13.189 838 HD3 LYS 21 1HD LYS 21 3.156 18.186 -11.520 839 HE2 LYS 21 2HE LYS 21 5.251 18.937 -12.468 840 HE3 LYS 21 1HE LYS 21 5.598 17.711 -11.248 841 HZ1 LYS 21 3HZ LYS 21 6.881 17.444 -13.320 842 HZ2 LYS 21 1HZ LYS 21 5.447 17.168 -14.167 843 HZ3 LYS 21 2HZ LYS 21 5.937 16.095 -12.956 844 H GLY 22 H GLY 22 -0.693 16.225 -9.416 845 HA2 GLY 22 2HA GLY 22 -3.036 16.132 -9.350 846 HA3 GLY 22 1HA GLY 22 -3.071 15.528 -10.999 847 H TRP 23 H TRP 23 -0.830 13.656 -10.378 848 HA TRP 23 HA TRP 23 -2.177 11.319 -10.355 849 HB2 TRP 23 2HB TRP 23 0.656 11.973 -9.514 850 HB3 TRP 23 1HB TRP 23 0.069 10.320 -9.408 851 HD1 TRP 23 HD1 TRP 23 0.011 13.035 -12.206 852 HE1 TRP 23 HE1 TRP 23 0.629 11.901 -14.407 853 HE3 TRP 23 HE3 TRP 23 0.673 8.274 -10.472 854 HZ2 TRP 23 HZ2 TRP 23 1.345 9.293 -15.311 855 HZ3 TRP 23 HZ3 TRP 23 1.343 6.521 -12.059 856 HH2 TRP 23 HH2 TRP 23 1.672 7.020 -14.429 857 H ARG 24 H ARG 24 -3.477 10.308 -8.945 858 HA ARG 24 HA ARG 24 -3.594 11.296 -6.189 859 HB2 ARG 24 2HB ARG 24 -5.588 10.081 -8.109 860 HB3 ARG 24 1HB ARG 24 -5.856 9.856 -6.386 861 HG2 ARG 24 2HG ARG 24 -5.944 12.262 -6.039 862 HG3 ARG 24 1HG ARG 24 -5.564 12.564 -7.735 863 HD2 ARG 24 2HD ARG 24 -7.673 11.583 -8.437 864 HD3 ARG 24 1HD ARG 24 -8.026 11.038 -6.793 865 HE ARG 24 HE ARG 24 -7.716 13.915 -7.257 866 HH11 ARG 24 1HH1 ARG 24 -9.912 11.229 -6.607 867 HH12 ARG 24 2HH1 ARG 24 -11.223 12.270 -6.142 868 HH21 ARG 24 1HH2 ARG 24 -9.461 15.262 -6.673 869 HH22 ARG 24 2HH2 ARG 24 -10.969 14.547 -6.179 870 H LYS 25 H LYS 25 -2.569 10.089 -4.761 871 HA LYS 25 HA LYS 25 -2.101 7.234 -5.238 872 HB2 LYS 25 2HB LYS 25 -0.674 7.365 -3.204 873 HB3 LYS 25 1HB LYS 25 -0.194 8.518 -4.443 874 HG2 LYS 25 2HG LYS 25 -1.474 10.284 -3.152 875 HG3 LYS 25 1HG LYS 25 -1.655 9.098 -1.858 876 HD2 LYS 25 2HD LYS 25 0.934 10.250 -2.942 877 HD3 LYS 25 1HD LYS 25 0.226 10.536 -1.354 878 HE2 LYS 25 2HE LYS 25 0.587 8.158 -0.771 879 HE3 LYS 25 1HE LYS 25 1.307 7.884 -2.363 880 HZ1 LYS 25 3HZ LYS 25 2.334 9.788 -0.330 881 HZ2 LYS 25 1HZ LYS 25 3.045 9.444 -1.827 882 HZ3 LYS 25 2HZ LYS 25 2.968 8.255 -0.632 883 H GLU 26 H GLU 26 -3.737 5.981 -4.774 884 HA GLU 26 HA GLU 26 -5.354 6.411 -2.342 885 HB2 GLU 26 2HB GLU 26 -7.437 6.168 -3.694 886 HB3 GLU 26 1HB GLU 26 -6.506 7.595 -4.143 887 HG2 GLU 26 2HG GLU 26 -5.568 6.284 -6.086 888 HG3 GLU 26 1HG GLU 26 -6.671 4.978 -5.660 889 H LEU 27 H LEU 27 -6.712 4.694 -1.804 890 HA LEU 27 HA LEU 27 -5.965 1.995 -2.654 891 HB2 LEU 27 2HB LEU 27 -5.892 2.455 -0.241 892 HB3 LEU 27 1HB LEU 27 -7.531 3.083 -0.277 893 HG LEU 27 HG LEU 27 -8.366 0.779 -0.839 894 HD11 LEU 27 1HD1 LEU 27 -5.501 -0.094 -0.386 895 HD12 LEU 27 2HD1 LEU 27 -6.401 -0.168 -1.904 896 HD13 LEU 27 3HD1 LEU 27 -6.894 -1.171 -0.542 897 HD21 LEU 27 3HD2 LEU 27 -8.376 1.603 1.465 898 HD22 LEU 27 1HD2 LEU 27 -6.755 0.952 1.717 899 HD23 LEU 27 2HD2 LEU 27 -8.109 -0.136 1.408 900 H ASN 28 H ASN 28 -7.241 1.187 -4.165 901 HA ASN 28 HA ASN 28 -10.173 1.550 -4.174 902 HB2 ASN 28 2HB ASN 28 -10.064 1.898 -6.701 903 HB3 ASN 28 1HB ASN 28 -9.427 3.244 -5.760 904 HD21 ASN 28 1HD2 ASN 28 -8.579 0.589 -7.867 905 HD22 ASN 28 2HD2 ASN 28 -6.970 1.108 -8.202 906 H ARG 29 H ARG 29 -11.224 -0.167 -5.581 907 HA ARG 29 HA ARG 29 -9.683 -2.672 -5.485 908 HB2 ARG 29 2HB ARG 29 -12.692 -2.249 -5.725 909 HB3 ARG 29 1HB ARG 29 -11.881 -3.814 -5.737 910 HG2 ARG 29 2HG ARG 29 -11.015 -3.296 -3.426 911 HG3 ARG 29 1HG ARG 29 -12.048 -1.861 -3.428 912 HD2 ARG 29 2HD ARG 29 -13.158 -3.707 -2.274 913 HD3 ARG 29 1HD ARG 29 -14.030 -3.308 -3.760 914 HE ARG 29 HE ARG 29 -12.152 -5.364 -4.279 915 HH11 ARG 29 1HH1 ARG 29 -15.243 -4.900 -2.662 916 HH12 ARG 29 2HH1 ARG 29 -15.739 -6.554 -2.876 917 HH21 ARG 29 1HH2 ARG 29 -12.803 -7.540 -4.545 918 HH22 ARG 29 2HH2 ARG 29 -14.353 -8.041 -3.942 919 H VAL 30 H VAL 30 -9.092 -3.594 -7.301 920 HA VAL 30 HA VAL 30 -10.249 -2.741 -9.902 921 HB VAL 30 HB VAL 30 -7.314 -3.379 -9.292 922 HG11 VAL 30 1HG1 VAL 30 -7.908 -4.225 -11.521 923 HG12 VAL 30 2HG1 VAL 30 -6.857 -2.814 -11.665 924 HG13 VAL 30 3HG1 VAL 30 -8.593 -2.658 -11.958 925 HG21 VAL 30 3HG2 VAL 30 -7.993 -1.129 -8.544 926 HG22 VAL 30 1HG2 VAL 30 -8.592 -0.765 -10.163 927 HG23 VAL 30 2HG2 VAL 30 -6.866 -1.038 -9.900 928 H SER 31 H SER 31 -10.795 -4.332 -11.291 929 HA SER 31 HA SER 31 -10.140 -7.149 -10.749 930 HB2 SER 31 2HB SER 31 -11.694 -7.587 -12.702 931 HB3 SER 31 1HB SER 31 -12.487 -6.770 -11.354 932 HG SER 31 HG SER 31 -11.452 -5.460 -13.654 933 H TRP 32 H TRP 32 -8.198 -7.714 -11.528 934 HA TRP 32 HA TRP 32 -6.910 -6.143 -13.654 935 HB2 TRP 32 2HB TRP 32 -5.831 -8.215 -11.692 936 HB3 TRP 32 1HB TRP 32 -4.874 -7.576 -13.023 937 HD1 TRP 32 HD1 TRP 32 -6.043 -6.682 -9.517 938 HE1 TRP 32 HE1 TRP 32 -4.903 -4.472 -8.813 939 HE3 TRP 32 HE3 TRP 32 -4.115 -5.232 -14.055 940 HZ2 TRP 32 HZ2 TRP 32 -3.480 -2.385 -10.012 941 HZ3 TRP 32 HZ3 TRP 32 -2.875 -3.111 -14.176 942 HH2 TRP 32 HH2 TRP 32 -2.566 -1.715 -12.191 943 H ASN 33 H ASN 33 -6.916 -6.855 -15.652 944 HA ASN 33 HA ASN 33 -6.955 -8.091 -17.531 945 HB2 ASN 33 2HB ASN 33 -6.207 -10.400 -15.694 946 HB3 ASN 33 1HB ASN 33 -6.158 -10.472 -17.451 947 HD21 ASN 33 1HD2 ASN 33 -3.930 -10.898 -17.460 948 HD22 ASN 33 2HD2 ASN 33 -2.780 -9.697 -17.090 949 H ASP 34 H ASP 34 -9.397 -7.570 -16.187 950 HA ASP 34 HA ASP 34 -11.496 -8.218 -15.634 951 HB2 ASP 34 2HB ASP 34 -11.140 -9.846 -18.179 952 HB3 ASP 34 1HB ASP 34 -12.692 -9.485 -17.438 953 H ALA 35 H ALA 35 -9.587 -9.645 -14.217 954 HA ALA 35 HA ALA 35 -10.850 -12.291 -13.748 955 HB1 ALA 35 3HB ALA 35 -8.416 -12.398 -14.101 956 HB2 ALA 35 1HB ALA 35 -8.822 -12.851 -12.445 957 HB3 ALA 35 2HB ALA 35 -8.151 -11.254 -12.785 958 H GLU 36 H GLU 36 -10.165 -12.595 -11.076 959 HA GLU 36 HA GLU 36 -12.280 -11.655 -9.660 960 HB2 GLU 36 2HB GLU 36 -11.041 -12.261 -7.595 961 HB3 GLU 36 1HB GLU 36 -10.850 -13.459 -8.869 962 HG2 GLU 36 2HG GLU 36 -8.620 -12.342 -9.441 963 HG3 GLU 36 1HG GLU 36 -8.811 -11.412 -7.955 964 HA PRO 37 HA PRO 37 -11.344 -7.266 -8.725 965 HB2 PRO 37 2HB PRO 37 -13.713 -7.555 -6.900 966 HB3 PRO 37 1HB PRO 37 -13.443 -6.393 -8.219 967 HG2 PRO 37 2HG PRO 37 -15.197 -8.373 -8.524 968 HG3 PRO 37 1HG PRO 37 -14.143 -7.885 -9.875 969 HD2 PRO 37 2HD PRO 37 -13.808 -10.227 -7.985 970 HD3 PRO 37 1HD PRO 37 -13.667 -10.184 -9.760 971 H LYS 38 H LYS 38 -9.776 -6.807 -7.321 972 HA LYS 38 HA LYS 38 -9.823 -7.767 -4.559 973 HB2 LYS 38 2HB LYS 38 -7.341 -8.317 -4.680 974 HB3 LYS 38 1HB LYS 38 -8.397 -9.466 -5.494 975 HG2 LYS 38 2HG LYS 38 -7.727 -8.641 -7.667 976 HG3 LYS 38 1HG LYS 38 -6.878 -7.274 -6.939 977 HD2 LYS 38 2HD LYS 38 -5.297 -9.049 -7.666 978 HD3 LYS 38 1HD LYS 38 -5.226 -8.772 -5.929 979 HE2 LYS 38 2HE LYS 38 -6.629 -10.797 -5.573 980 HE3 LYS 38 1HE LYS 38 -6.635 -11.079 -7.317 981 HZ1 LYS 38 3HZ LYS 38 -4.211 -11.283 -7.237 982 HZ2 LYS 38 1HZ LYS 38 -4.958 -12.424 -6.243 983 HZ3 LYS 38 2HZ LYS 38 -4.231 -11.063 -5.559 984 H TYR 39 H TYR 39 -7.937 -6.605 -3.344 985 HA TYR 39 HA TYR 39 -8.645 -3.821 -3.691 986 HB2 TYR 39 2HB TYR 39 -7.010 -5.180 -1.504 987 HB3 TYR 39 1HB TYR 39 -7.729 -3.571 -1.429 988 HD1 TYR 39 HD1 TYR 39 -8.445 -7.209 -1.321 989 HD2 TYR 39 HD2 TYR 39 -10.152 -3.296 -1.034 990 HE1 TYR 39 HE1 TYR 39 -10.503 -8.173 -0.414 991 HE2 TYR 39 HE2 TYR 39 -12.217 -4.277 -0.125 992 HH TYR 39 HH TYR 39 -12.396 -7.453 0.990 993 H ASP 40 H ASP 40 -7.281 -2.269 -4.243 994 HA ASP 40 HA ASP 40 -4.460 -2.914 -4.958 995 HB2 ASP 40 2HB ASP 40 -6.142 -2.882 -6.908 996 HB3 ASP 40 1HB ASP 40 -6.324 -1.154 -6.623 997 H ILE 41 H ILE 41 -2.941 -1.323 -4.462 998 HA ILE 41 HA ILE 41 -3.887 1.312 -3.566 999 HB ILE 41 HB ILE 41 -3.772 0.157 -1.445 1000 HG12 ILE 41 2HG1 ILE 41 -1.300 1.918 -1.781 1001 HG13 ILE 41 1HG1 ILE 41 -2.932 2.487 -1.457 1002 HG21 ILE 41 1HG2 ILE 41 -1.789 -0.990 -0.570 1003 HG22 ILE 41 2HG2 ILE 41 -0.945 -0.706 -2.093 1004 HG23 ILE 41 3HG2 ILE 41 -2.363 -1.754 -2.057 1005 HD11 ILE 41 3HD1 ILE 41 -1.587 2.579 0.534 1006 HD12 ILE 41 1HD1 ILE 41 -1.199 0.863 0.408 1007 HD13 ILE 41 2HD1 ILE 41 -2.858 1.374 0.738 1008 H ARG 42 H ARG 42 -2.829 2.715 -4.604 1009 HA ARG 42 HA ARG 42 -0.034 2.829 -5.119 1010 HB2 ARG 42 2HB ARG 42 0.031 2.538 -7.583 1011 HB3 ARG 42 1HB ARG 42 -0.351 1.049 -6.738 1012 HG2 ARG 42 2HG ARG 42 -2.613 1.101 -7.447 1013 HG3 ARG 42 1HG ARG 42 -2.477 2.773 -8.003 1014 HD2 ARG 42 2HD ARG 42 -2.383 0.804 -9.755 1015 HD3 ARG 42 1HD ARG 42 -1.305 2.187 -9.931 1016 HE ARG 42 HE ARG 42 0.512 0.850 -9.404 1017 HH11 ARG 42 1HH1 ARG 42 -2.422 -1.026 -8.951 1018 HH12 ARG 42 2HH1 ARG 42 -1.570 -2.531 -8.829 1019 HH21 ARG 42 1HH2 ARG 42 1.616 -1.116 -9.176 1020 HH22 ARG 42 2HH2 ARG 42 0.717 -2.585 -8.959 1021 H THR 43 H THR 43 0.356 4.427 -7.200 1022 HA THR 43 HA THR 43 -1.400 6.710 -6.769 1023 HB THR 43 HB THR 43 1.364 6.609 -8.073 1024 HG1 THR 43 HG1 THR 43 0.767 6.315 -5.492 1025 HG21 THR 43 3HG2 THR 43 -0.004 8.589 -8.658 1026 HG22 THR 43 1HG2 THR 43 1.361 9.044 -7.633 1027 HG23 THR 43 2HG2 THR 43 -0.262 8.922 -6.943 1028 H TRP 44 H TRP 44 -2.785 7.061 -8.342 1029 HA TRP 44 HA TRP 44 -2.419 5.995 -11.085 1030 HB2 TRP 44 2HB TRP 44 -4.962 6.769 -9.562 1031 HB3 TRP 44 1HB TRP 44 -4.926 6.309 -11.256 1032 HD1 TRP 44 HD1 TRP 44 -4.740 4.777 -7.729 1033 HE1 TRP 44 HE1 TRP 44 -5.205 2.238 -7.949 1034 HE3 TRP 44 HE3 TRP 44 -4.652 4.321 -12.829 1035 HZ2 TRP 44 HZ2 TRP 44 -5.472 0.327 -9.962 1036 HZ3 TRP 44 HZ3 TRP 44 -5.023 2.098 -13.820 1037 HH2 TRP 44 HH2 TRP 44 -5.425 0.137 -12.414 1038 H SER 45 H SER 45 -3.475 7.511 -12.727 1039 HA SER 45 HA SER 45 -3.037 10.340 -12.214 1040 HB2 SER 45 2HB SER 45 -4.305 8.850 -14.540 1041 HB3 SER 45 1HB SER 45 -4.138 10.605 -14.494 1042 HG SER 45 HG SER 45 -1.804 10.037 -14.020 1043 HA PRO 46 HA PRO 46 -7.084 11.628 -10.608 1044 HB2 PRO 46 2HB PRO 46 -7.737 13.716 -12.423 1045 HB3 PRO 46 1HB PRO 46 -6.784 13.881 -10.938 1046 HG2 PRO 46 2HG PRO 46 -5.819 13.562 -13.755 1047 HG3 PRO 46 1HG PRO 46 -5.180 14.586 -12.449 1048 HD2 PRO 46 2HD PRO 46 -3.939 12.315 -13.096 1049 HD3 PRO 46 1HD PRO 46 -4.095 12.789 -11.388 1050 H ASP 47 H ASP 47 -6.937 11.287 -14.174 1051 HA ASP 47 HA ASP 47 -9.730 10.442 -14.349 1052 HB2 ASP 47 2HB ASP 47 -7.544 10.592 -16.482 1053 HB3 ASP 47 1HB ASP 47 -9.199 10.090 -16.809 1054 H HIS 48 H HIS 48 -6.863 8.926 -13.475 1055 HA HIS 48 HA HIS 48 -6.211 6.829 -13.044 1056 HB2 HIS 48 2HB HIS 48 -9.081 6.039 -13.654 1057 HB3 HIS 48 1HB HIS 48 -7.894 5.003 -12.869 1058 HD1 HIS 48 HD1 HIS 48 -10.560 7.278 -12.095 1059 HD2 HIS 48 HD2 HIS 48 -6.996 6.193 -10.294 1060 HE1 HIS 48 HE1 HIS 48 -10.811 7.887 -9.680 1061 HE2 HIS 48 HE2 HIS 48 -8.714 7.076 -8.590 1062 H GLU 49 H GLU 49 -6.229 7.903 -15.822 1063 HA GLU 49 HA GLU 49 -6.410 5.649 -17.619 1064 HB2 GLU 49 2HB GLU 49 -5.440 7.231 -19.304 1065 HB3 GLU 49 1HB GLU 49 -6.866 7.872 -18.496 1066 HG2 GLU 49 2HG GLU 49 -5.399 9.252 -17.025 1067 HG3 GLU 49 1HG GLU 49 -3.987 8.621 -17.873 1068 H LYS 50 H LYS 50 -4.049 6.848 -15.442 1069 HA LYS 50 HA LYS 50 -1.960 5.051 -16.525 1070 HB2 LYS 50 2HB LYS 50 -1.547 7.819 -15.316 1071 HB3 LYS 50 1HB LYS 50 -0.255 6.714 -15.725 1072 HG2 LYS 50 2HG LYS 50 -2.128 7.585 -17.912 1073 HG3 LYS 50 1HG LYS 50 -0.932 8.733 -17.314 1074 HD2 LYS 50 2HD LYS 50 0.010 7.626 -19.233 1075 HD3 LYS 50 1HD LYS 50 0.864 7.047 -17.805 1076 HE2 LYS 50 2HE LYS 50 -0.502 4.984 -17.852 1077 HE3 LYS 50 1HE LYS 50 -1.325 5.565 -19.300 1078 HZ1 LYS 50 3HZ LYS 50 0.455 4.007 -19.831 1079 HZ2 LYS 50 1HZ LYS 50 1.590 5.018 -19.089 1080 HZ3 LYS 50 2HZ LYS 50 0.773 5.536 -20.474 1081 H MET 51 H MET 51 -0.478 4.311 -14.924 1082 HA MET 51 HA MET 51 -1.346 4.352 -12.094 1083 HB2 MET 51 2HB MET 51 -1.021 1.942 -11.920 1084 HB3 MET 51 1HB MET 51 -2.172 2.256 -13.207 1085 HG2 MET 51 2HG MET 51 -0.362 1.912 -14.882 1086 HG3 MET 51 1HG MET 51 0.754 1.548 -13.569 1087 HE1 MET 51 3HE MET 51 -3.050 0.494 -13.980 1088 HE2 MET 51 1HE MET 51 -2.841 -1.085 -14.734 1089 HE3 MET 51 2HE MET 51 -2.368 0.371 -15.605 1090 H GLY 52 H GLY 52 0.467 3.493 -10.665 1091 HA2 GLY 52 2HA GLY 52 3.159 3.496 -11.802 1092 HA3 GLY 52 1HA GLY 52 2.764 4.847 -10.747 1093 H LYS 53 H LYS 53 4.074 4.397 -9.044 1094 HA LYS 53 HA LYS 53 4.788 1.839 -8.149 1095 HB2 LYS 53 2HB LYS 53 4.958 4.520 -6.709 1096 HB3 LYS 53 1HB LYS 53 5.728 3.041 -6.144 1097 HG2 LYS 53 2HG LYS 53 6.343 4.527 -8.717 1098 HG3 LYS 53 1HG LYS 53 7.363 4.431 -7.280 1099 HD2 LYS 53 2HD LYS 53 7.635 1.996 -7.624 1100 HD3 LYS 53 1HD LYS 53 6.591 2.071 -9.047 1101 HE2 LYS 53 2HE LYS 53 9.288 3.427 -8.728 1102 HE3 LYS 53 1HE LYS 53 8.944 2.001 -9.707 1103 HZ1 LYS 53 3HZ LYS 53 7.434 3.388 -11.049 1104 HZ2 LYS 53 1HZ LYS 53 9.029 3.941 -11.095 1105 HZ3 LYS 53 2HZ LYS 53 7.886 4.742 -10.149 1106 H GLY 54 H GLY 54 3.631 0.383 -7.066 1107 HA2 GLY 54 2HA GLY 54 2.289 0.746 -4.704 1108 HA3 GLY 54 1HA GLY 54 1.094 0.858 -5.985 1109 H ILE 55 H ILE 55 0.325 -1.067 -4.795 1110 HA ILE 55 HA ILE 55 1.432 -3.571 -5.778 1111 HB ILE 55 HB ILE 55 2.805 -3.057 -3.771 1112 HG12 ILE 55 2HG1 ILE 55 0.882 -5.344 -3.176 1113 HG13 ILE 55 1HG1 ILE 55 2.260 -5.441 -4.267 1114 HG21 ILE 55 1HG2 ILE 55 0.224 -3.036 -2.180 1115 HG22 ILE 55 2HG2 ILE 55 1.211 -1.626 -2.564 1116 HG23 ILE 55 3HG2 ILE 55 1.855 -2.893 -1.516 1117 HD11 ILE 55 3HD1 ILE 55 2.381 -4.947 -1.292 1118 HD12 ILE 55 1HD1 ILE 55 3.771 -4.981 -2.386 1119 HD13 ILE 55 2HD1 ILE 55 2.801 -6.432 -2.146 1120 H THR 56 H THR 56 -0.035 -5.247 -5.593 1121 HA THR 56 HA THR 56 -2.845 -4.486 -5.045 1122 HB THR 56 HB THR 56 -2.130 -7.028 -6.556 1123 HG1 THR 56 HG1 THR 56 -2.435 -4.473 -7.798 1124 HG21 THR 56 3HG2 THR 56 -4.488 -6.609 -5.892 1125 HG22 THR 56 1HG2 THR 56 -4.283 -6.606 -7.648 1126 HG23 THR 56 2HG2 THR 56 -4.447 -5.081 -6.779 1127 H LEU 57 H LEU 57 -4.142 -5.979 -3.885 1128 HA LEU 57 HA LEU 57 -2.794 -7.842 -2.055 1129 HB2 LEU 57 2HB LEU 57 -4.825 -5.693 -1.257 1130 HB3 LEU 57 1HB LEU 57 -4.104 -6.874 -0.176 1131 HG LEU 57 HG LEU 57 -2.621 -4.594 -1.551 1132 HD11 LEU 57 1HD1 LEU 57 -3.416 -4.911 1.360 1133 HD12 LEU 57 2HD1 LEU 57 -4.097 -3.761 0.202 1134 HD13 LEU 57 3HD1 LEU 57 -2.411 -3.618 0.694 1135 HD21 LEU 57 3HD2 LEU 57 -1.590 -6.641 0.437 1136 HD22 LEU 57 1HD2 LEU 57 -0.701 -5.228 -0.140 1137 HD23 LEU 57 2HD2 LEU 57 -1.145 -6.506 -1.267 1138 H SER 58 H SER 58 -4.023 -9.614 -1.680 1139 HA SER 58 HA SER 58 -6.565 -9.993 -3.087 1140 HB2 SER 58 2HB SER 58 -4.959 -11.983 -1.415 1141 HB3 SER 58 1HB SER 58 -6.263 -12.357 -2.550 1142 HG SER 58 HG SER 58 -3.688 -11.306 -3.121 1143 H GLU 59 H GLU 59 -8.312 -11.185 -1.739 1144 HA GLU 59 HA GLU 59 -9.327 -9.423 0.111 1145 HB2 GLU 59 2HB GLU 59 -10.017 -12.368 -0.211 1146 HB3 GLU 59 1HB GLU 59 -11.006 -11.179 0.639 1147 HG2 GLU 59 2HG GLU 59 -11.163 -9.871 -1.514 1148 HG3 GLU 59 1HG GLU 59 -10.348 -11.208 -2.324 1149 H GLU 60 H GLU 60 -7.501 -12.397 0.790 1150 HA GLU 60 HA GLU 60 -7.854 -12.248 3.644 1151 HB2 GLU 60 2HB GLU 60 -5.871 -13.942 2.087 1152 HB3 GLU 60 1HB GLU 60 -6.294 -14.139 3.783 1153 HG2 GLU 60 2HG GLU 60 -8.678 -14.600 3.045 1154 HG3 GLU 60 1HG GLU 60 -8.087 -14.619 1.383 1155 H GLU 61 H GLU 61 -5.309 -11.208 1.397 1156 HA GLU 61 HA GLU 61 -3.294 -10.659 3.370 1157 HB2 GLU 61 2HB GLU 61 -3.625 -9.572 0.535 1158 HB3 GLU 61 1HB GLU 61 -2.173 -9.395 1.522 1159 HG2 GLU 61 2HG GLU 61 -1.813 -11.792 1.528 1160 HG3 GLU 61 1HG GLU 61 -3.337 -12.066 0.684 1161 H PHE 62 H PHE 62 -5.504 -8.553 1.538 1162 HA PHE 62 HA PHE 62 -5.119 -6.169 2.968 1163 HB2 PHE 62 2HB PHE 62 -6.262 -6.323 0.759 1164 HB3 PHE 62 1HB PHE 62 -7.625 -7.132 1.523 1165 HD1 PHE 62 HD2 PHE 62 -5.685 -3.933 1.534 1166 HD2 PHE 62 HD1 PHE 62 -9.411 -5.834 2.429 1167 HE1 PHE 62 HE2 PHE 62 -6.712 -1.742 1.954 1168 HE2 PHE 62 HE1 PHE 62 -10.426 -3.637 2.846 1169 HZ PHE 62 HZ PHE 62 -9.082 -1.592 2.605 1170 H GLY 63 H GLY 63 -7.236 -8.994 3.552 1171 HA2 GLY 63 2HA GLY 63 -8.675 -8.168 5.760 1172 HA3 GLY 63 1HA GLY 63 -8.094 -9.802 5.491 1173 H VAL 64 H VAL 64 -5.379 -9.603 5.708 1174 HA VAL 64 HA VAL 64 -4.848 -9.484 8.471 1175 HB VAL 64 HB VAL 64 -2.829 -9.312 6.180 1176 HG11 VAL 64 1HG1 VAL 64 -1.149 -10.143 7.787 1177 HG12 VAL 64 2HG1 VAL 64 -2.345 -10.087 9.084 1178 HG13 VAL 64 3HG1 VAL 64 -1.814 -8.593 8.309 1179 HG21 VAL 64 3HG2 VAL 64 -3.803 -11.760 7.693 1180 HG22 VAL 64 1HG2 VAL 64 -2.541 -11.743 6.458 1181 HG23 VAL 64 2HG2 VAL 64 -4.203 -11.343 6.027 1182 H LEU 65 H LEU 65 -4.329 -7.076 5.849 1183 HA LEU 65 HA LEU 65 -2.928 -5.124 7.291 1184 HB2 LEU 65 2HB LEU 65 -3.346 -5.217 4.778 1185 HB3 LEU 65 1HB LEU 65 -4.965 -4.618 5.092 1186 HG LEU 65 HG LEU 65 -3.814 -2.550 6.193 1187 HD11 LEU 65 1HD1 LEU 65 -1.548 -2.039 5.449 1188 HD12 LEU 65 2HD1 LEU 65 -1.409 -3.632 4.701 1189 HD13 LEU 65 3HD1 LEU 65 -1.584 -3.487 6.452 1190 HD21 LEU 65 3HD2 LEU 65 -3.529 -1.421 4.036 1191 HD22 LEU 65 1HD2 LEU 65 -4.960 -2.452 4.012 1192 HD23 LEU 65 2HD2 LEU 65 -3.483 -2.975 3.198 1193 H LEU 66 H LEU 66 -6.486 -5.436 6.719 1194 HA LEU 66 HA LEU 66 -7.377 -3.255 8.224 1195 HB2 LEU 66 2HB LEU 66 -8.734 -5.920 7.647 1196 HB3 LEU 66 1HB LEU 66 -9.560 -4.538 8.351 1197 HG LEU 66 HG LEU 66 -8.366 -4.673 5.560 1198 HD11 LEU 66 1HD1 LEU 66 -10.683 -4.547 4.782 1199 HD12 LEU 66 2HD1 LEU 66 -11.269 -4.561 6.447 1200 HD13 LEU 66 3HD1 LEU 66 -10.436 -5.972 5.790 1201 HD21 LEU 66 3HD2 LEU 66 -9.364 -2.453 5.214 1202 HD22 LEU 66 1HD2 LEU 66 -8.117 -2.425 6.457 1203 HD23 LEU 66 2HD2 LEU 66 -9.820 -2.383 6.919 1204 H LYS 67 H LYS 67 -6.768 -6.611 9.174 1205 HA LYS 67 HA LYS 67 -7.885 -6.640 11.744 1206 HB2 LYS 67 2HB LYS 67 -5.636 -8.220 10.459 1207 HB3 LYS 67 1HB LYS 67 -6.133 -8.529 12.119 1208 HG2 LYS 67 2HG LYS 67 -8.282 -9.302 11.452 1209 HG3 LYS 67 1HG LYS 67 -8.094 -8.664 9.814 1210 HD2 LYS 67 2HD LYS 67 -7.815 -11.168 9.975 1211 HD3 LYS 67 1HD LYS 67 -6.437 -10.332 9.264 1212 HE2 LYS 67 2HE LYS 67 -5.227 -10.492 11.411 1213 HE3 LYS 67 1HE LYS 67 -6.614 -11.312 12.136 1214 HZ1 LYS 67 3HZ LYS 67 -6.316 -13.138 10.621 1215 HZ2 LYS 67 1HZ LYS 67 -4.860 -12.845 11.429 1216 HZ3 LYS 67 2HZ LYS 67 -5.055 -12.345 9.825 1217 H GLU 68 H GLU 68 -4.502 -6.142 10.739 1218 HA GLU 68 HA GLU 68 -3.646 -5.705 13.440 1219 HB2 GLU 68 2HB GLU 68 -2.084 -5.431 10.856 1220 HB3 GLU 68 1HB GLU 68 -1.397 -5.480 12.475 1221 HG2 GLU 68 2HG GLU 68 -2.817 -7.721 11.013 1222 HG3 GLU 68 1HG GLU 68 -1.109 -7.644 11.443 1223 H LEU 69 H LEU 69 -4.418 -3.584 10.693 1224 HA LEU 69 HA LEU 69 -3.448 -1.172 11.911 1225 HB2 LEU 69 2HB LEU 69 -5.591 -1.558 9.778 1226 HB3 LEU 69 1HB LEU 69 -5.022 0.016 10.313 1227 HG LEU 69 HG LEU 69 -3.390 -2.088 8.844 1228 HD11 LEU 69 1HD1 LEU 69 -3.276 -0.433 7.042 1229 HD12 LEU 69 2HD1 LEU 69 -4.299 0.668 7.970 1230 HD13 LEU 69 3HD1 LEU 69 -4.943 -0.875 7.402 1231 HD21 LEU 69 3HD2 LEU 69 -1.556 -0.500 8.816 1232 HD22 LEU 69 1HD2 LEU 69 -1.964 -0.951 10.470 1233 HD23 LEU 69 2HD2 LEU 69 -2.470 0.620 9.835 1234 H GLY 70 H GLY 70 -6.563 -2.852 11.869 1235 HA2 GLY 70 2HA GLY 70 -8.096 -1.068 13.414 1236 HA3 GLY 70 1HA GLY 70 -8.382 -2.793 13.250 1237 H ASN 71 H ASN 71 -5.904 -3.688 14.353 1238 HA ASN 71 HA ASN 71 -6.203 -3.546 17.172 1239 HB2 ASN 71 2HB ASN 71 -3.699 -4.228 15.554 1240 HB3 ASN 71 1HB ASN 71 -3.854 -4.465 17.292 1241 HD21 ASN 71 1HD2 ASN 71 -3.287 -6.383 15.240 1242 HD22 ASN 71 2HD2 ASN 71 -4.502 -7.601 15.355 1243 H LYS 72 H LYS 72 -3.601 -2.236 15.198 1244 HA LYS 72 HA LYS 72 -2.410 -0.372 16.781 1245 HB2 LYS 72 2HB LYS 72 -2.850 -0.234 13.782 1246 HB3 LYS 72 1HB LYS 72 -1.744 0.835 14.642 1247 HG2 LYS 72 2HG LYS 72 -0.346 -1.011 15.304 1248 HG3 LYS 72 1HG LYS 72 -1.514 -2.187 14.693 1249 HD2 LYS 72 2HD LYS 72 -1.151 -1.240 12.377 1250 HD3 LYS 72 1HD LYS 72 0.133 -0.228 13.045 1251 HE2 LYS 72 2HE LYS 72 0.082 -3.262 13.053 1252 HE3 LYS 72 1HE LYS 72 1.034 -2.243 11.971 1253 HZ1 LYS 72 3HZ LYS 72 2.413 -3.019 13.746 1254 HZ2 LYS 72 1HZ LYS 72 1.332 -2.467 14.918 1255 HZ3 LYS 72 2HZ LYS 72 2.175 -1.359 13.965 1256 H LEU 73 H LEU 73 -5.624 0.096 15.469 1257 HA LEU 73 HA LEU 73 -5.726 2.928 15.893 1258 HB2 LEU 73 2HB LEU 73 -7.924 0.859 15.615 1259 HB3 LEU 73 1HB LEU 73 -8.258 2.571 15.835 1260 HG LEU 73 HG LEU 73 -6.818 1.311 13.468 1261 HD11 LEU 73 1HD1 LEU 73 -9.227 0.983 13.387 1262 HD12 LEU 73 2HD1 LEU 73 -8.714 2.125 12.144 1263 HD13 LEU 73 3HD1 LEU 73 -9.495 2.715 13.615 1264 HD21 LEU 73 3HD2 LEU 73 -5.766 3.458 13.948 1265 HD22 LEU 73 1HD2 LEU 73 -7.343 4.252 14.001 1266 HD23 LEU 73 2HD2 LEU 73 -6.738 3.578 12.485 1267 H GLU 74 H GLU 74 -5.339 0.538 18.131 1268 HA GLU 74 HA GLU 74 -6.612 1.536 20.462 1269 HB2 GLU 74 2HB GLU 74 -4.841 0.278 21.667 1270 HB3 GLU 74 1HB GLU 74 -5.465 -0.681 20.326 1271 HG2 GLU 74 2HG GLU 74 -3.505 -0.010 18.948 1272 HG3 GLU 74 1HG GLU 74 -2.877 0.909 20.311 1273 H HIS 75 H HIS 75 -4.315 2.944 18.462 1274 HA HIS 75 HA HIS 75 -2.798 4.346 20.562 1275 HB2 HIS 75 2HB HIS 75 -2.255 4.174 17.552 1276 HB3 HIS 75 1HB HIS 75 -1.238 5.006 18.724 1277 HD1 HIS 75 HD1 HIS 75 -1.318 1.959 16.958 1278 HD2 HIS 75 HD2 HIS 75 -0.422 2.959 20.889 1279 HE1 HIS 75 HE1 HIS 75 -0.059 0.000 17.877 1280 HE2 HIS 75 HE2 HIS 75 0.282 0.543 20.306 1281 H HIS 76 H HIS 76 -4.963 5.386 20.942 1282 HA HIS 76 HA HIS 76 -5.688 7.632 19.301 1283 HB2 HIS 76 2HB HIS 76 -7.006 8.389 21.309 1284 HB3 HIS 76 1HB HIS 76 -7.358 6.735 20.837 1285 HD1 HIS 76 HD1 HIS 76 -6.633 8.726 23.745 1286 HD2 HIS 76 HD2 HIS 76 -5.935 4.792 22.624 1287 HE1 HIS 76 HE1 HIS 76 -6.150 7.486 25.873 1288 HE2 HIS 76 HE2 HIS 76 -5.821 5.096 25.175 1289 H HIS 77 H HIS 77 -3.965 8.852 18.831 1290 HA HIS 77 HA HIS 77 -2.054 9.622 20.953 1291 HB2 HIS 77 2HB HIS 77 -0.381 9.825 19.146 1292 HB3 HIS 77 1HB HIS 77 -1.090 8.216 19.180 1293 HD1 HIS 77 HD1 HIS 77 -2.681 7.578 17.169 1294 HD2 HIS 77 HD2 HIS 77 -0.798 11.247 16.788 1295 HE1 HIS 77 HE1 HIS 77 -2.952 8.226 14.757 1296 HE2 HIS 77 HE2 HIS 77 -1.880 10.494 14.576 1297 H HIS 78 H HIS 78 -1.086 11.709 20.846 1298 HA HIS 78 HA HIS 78 -3.014 13.804 20.277 1299 HB2 HIS 78 2HB HIS 78 -0.251 13.911 21.563 1300 HB3 HIS 78 1HB HIS 78 -1.313 15.304 21.389 1301 HD1 HIS 78 HD1 HIS 78 -0.288 13.226 23.946 1302 HD2 HIS 78 HD2 HIS 78 -4.069 14.359 22.639 1303 HE1 HIS 78 HE1 HIS 78 -1.806 12.897 25.913 1304 HE2 HIS 78 HE2 HIS 78 -4.077 13.614 25.111 1305 H HIS 79 H HIS 79 -3.107 13.845 18.036 1306 HA HIS 79 HA HIS 79 -1.185 15.574 16.755 1307 HB2 HIS 79 2HB HIS 79 -0.221 13.221 16.429 1308 HB3 HIS 79 1HB HIS 79 -1.655 12.832 15.493 1309 HD1 HIS 79 HD1 HIS 79 1.601 14.605 15.323 1310 HD2 HIS 79 HD2 HIS 79 -1.730 14.029 12.906 1311 HE1 HIS 79 HE1 HIS 79 2.281 15.362 13.036 1312 HE2 HIS 79 HE2 HIS 79 0.285 14.922 11.575 1313 H HIS 80 H HIS 80 -2.241 16.827 15.280 1314 HA HIS 80 HA HIS 80 -5.054 16.735 14.976 1315 HB2 HIS 80 2HB HIS 80 -2.941 18.325 13.448 1316 HB3 HIS 80 1HB HIS 80 -4.675 18.614 13.341 1317 HD1 HIS 80 HD1 HIS 80 -1.711 19.436 15.360 1318 HD2 HIS 80 HD2 HIS 80 -5.842 19.605 15.796 1319 HE1 HIS 80 HE1 HIS 80 -2.124 20.956 17.317 1320 HE2 HIS 80 HE2 HIS 80 -4.611 20.904 17.652 Start of MODEL 15 1 H1 MET 1 1H MET 1 12.544 10.176 -7.849 2 H2 MET 1 2H MET 1 11.358 11.235 -8.411 3 H3 MET 1 3H MET 1 12.496 11.771 -7.282 4 HA MET 1 HA MET 1 13.021 10.944 -10.074 5 HB2 MET 1 2HB MET 1 13.038 13.674 -8.730 6 HB3 MET 1 1HB MET 1 13.732 13.383 -10.322 7 HG2 MET 1 2HG MET 1 10.820 13.008 -9.568 8 HG3 MET 1 1HG MET 1 11.500 14.339 -10.516 9 HE1 MET 1 3HE MET 1 9.050 12.462 -11.517 10 HE2 MET 1 1HE MET 1 9.509 12.178 -13.195 11 HE3 MET 1 2HE MET 1 9.685 13.787 -12.496 12 H ALA 2 H ALA 2 14.293 11.063 -6.936 13 HA ALA 2 HA ALA 2 17.078 11.400 -7.564 14 HB1 ALA 2 3HB ALA 2 17.451 10.483 -5.291 15 HB2 ALA 2 1HB ALA 2 15.737 10.075 -5.176 16 HB3 ALA 2 2HB ALA 2 16.237 11.763 -5.278 17 H ASP 3 H ASP 3 18.423 9.908 -8.462 18 HA ASP 3 HA ASP 3 17.457 7.474 -9.568 19 HB2 ASP 3 2HB ASP 3 20.334 8.456 -9.246 20 HB3 ASP 3 1HB ASP 3 19.887 7.019 -10.159 21 H LYS 4 H LYS 4 20.233 7.768 -7.248 22 HA LYS 4 HA LYS 4 19.747 5.174 -6.133 23 HB2 LYS 4 2HB LYS 4 22.029 6.091 -6.404 24 HB3 LYS 4 1HB LYS 4 21.625 7.456 -5.372 25 HG2 LYS 4 2HG LYS 4 21.218 5.717 -3.500 26 HG3 LYS 4 1HG LYS 4 22.003 4.555 -4.572 27 HD2 LYS 4 2HD LYS 4 23.657 5.430 -3.001 28 HD3 LYS 4 1HD LYS 4 24.039 6.024 -4.619 29 HE2 LYS 4 2HE LYS 4 22.921 8.184 -4.048 30 HE3 LYS 4 1HE LYS 4 22.631 7.578 -2.418 31 HZ1 LYS 4 3HZ LYS 4 25.295 7.985 -3.659 32 HZ2 LYS 4 1HZ LYS 4 25.015 7.399 -2.098 33 HZ3 LYS 4 2HZ LYS 4 24.580 8.984 -2.496 34 H LEU 5 H LEU 5 17.820 5.077 -4.932 35 HA LEU 5 HA LEU 5 17.358 7.014 -2.789 36 HB2 LEU 5 2HB LEU 5 15.884 4.405 -3.368 37 HB3 LEU 5 1HB LEU 5 15.435 5.595 -2.150 38 HG LEU 5 HG LEU 5 15.293 5.927 -5.172 39 HD11 LEU 5 1HD1 LEU 5 13.435 4.654 -4.150 40 HD12 LEU 5 2HD1 LEU 5 12.890 6.196 -4.802 41 HD13 LEU 5 3HD1 LEU 5 13.111 6.006 -3.059 42 HD21 LEU 5 3HD2 LEU 5 14.782 8.029 -3.044 43 HD22 LEU 5 1HD2 LEU 5 14.432 8.198 -4.766 44 HD23 LEU 5 2HD2 LEU 5 16.098 8.028 -4.221 45 H LYS 6 H LYS 6 17.664 6.577 -0.680 46 HA LYS 6 HA LYS 6 19.170 4.136 0.103 47 HB2 LYS 6 2HB LYS 6 19.209 6.895 1.441 48 HB3 LYS 6 1HB LYS 6 20.078 5.472 1.991 49 HG2 LYS 6 2HG LYS 6 20.603 7.011 -0.566 50 HG3 LYS 6 1HG LYS 6 21.596 7.030 0.888 51 HD2 LYS 6 2HD LYS 6 21.151 4.643 -0.948 52 HD3 LYS 6 1HD LYS 6 22.610 5.623 -0.864 53 HE2 LYS 6 2HE LYS 6 21.528 3.840 1.347 54 HE3 LYS 6 1HE LYS 6 22.912 3.488 0.320 55 HZ1 LYS 6 3HZ LYS 6 22.690 5.624 2.360 56 HZ2 LYS 6 1HZ LYS 6 23.983 5.498 1.268 57 HZ3 LYS 6 2HZ LYS 6 23.694 4.268 2.390 58 H PHE 7 H PHE 7 18.343 3.136 2.068 59 HA PHE 7 HA PHE 7 15.889 4.221 3.226 60 HB2 PHE 7 2HB PHE 7 14.823 1.902 2.983 61 HB3 PHE 7 1HB PHE 7 14.951 2.827 1.497 62 HD1 PHE 7 HD1 PHE 7 16.581 2.162 -0.271 63 HD2 PHE 7 HD2 PHE 7 16.072 -0.200 3.263 64 HE1 PHE 7 HE1 PHE 7 17.744 0.282 -1.354 65 HE2 PHE 7 HE2 PHE 7 17.237 -2.067 2.168 66 HZ PHE 7 HZ PHE 7 18.072 -1.830 -0.129 67 H GLU 8 H GLU 8 15.707 3.728 5.358 68 HA GLU 8 HA GLU 8 17.273 1.517 6.506 69 HB2 GLU 8 2HB GLU 8 18.500 3.630 7.042 70 HB3 GLU 8 1HB GLU 8 17.030 4.309 7.740 71 HG2 GLU 8 2HG GLU 8 17.022 2.453 9.424 72 HG3 GLU 8 1HG GLU 8 18.556 1.887 8.765 73 H ILE 9 H ILE 9 15.957 0.274 7.687 74 HA ILE 9 HA ILE 9 13.128 0.977 7.849 75 HB ILE 9 HB ILE 9 14.574 -1.616 8.575 76 HG12 ILE 9 2HG1 ILE 9 12.867 -0.916 6.135 77 HG13 ILE 9 1HG1 ILE 9 14.625 -1.015 6.132 78 HG21 ILE 9 1HG2 ILE 9 12.468 -1.380 9.867 79 HG22 ILE 9 2HG2 ILE 9 12.318 -2.652 8.656 80 HG23 ILE 9 3HG2 ILE 9 11.578 -1.077 8.369 81 HD11 ILE 9 3HD1 ILE 9 14.459 -3.399 6.702 82 HD12 ILE 9 1HD1 ILE 9 13.681 -2.986 5.176 83 HD13 ILE 9 2HD1 ILE 9 12.698 -3.273 6.610 84 H ILE 10 H ILE 10 12.433 2.007 9.518 85 HA ILE 10 HA ILE 10 13.959 2.402 11.960 86 HB ILE 10 HB ILE 10 11.221 3.491 11.123 87 HG12 ILE 10 2HG1 ILE 10 12.907 4.273 9.538 88 HG13 ILE 10 1HG1 ILE 10 12.463 5.618 10.580 89 HG21 ILE 10 1HG2 ILE 10 11.542 5.218 12.865 90 HG22 ILE 10 2HG2 ILE 10 13.037 4.435 13.376 91 HG23 ILE 10 3HG2 ILE 10 11.497 3.595 13.561 92 HD11 ILE 10 3HD1 ILE 10 14.839 5.621 10.186 93 HD12 ILE 10 1HD1 ILE 10 14.982 3.958 10.756 94 HD13 ILE 10 2HD1 ILE 10 14.541 5.244 11.882 95 H GLU 11 H GLU 11 11.066 0.728 10.823 96 HA GLU 11 HA GLU 11 10.888 -0.971 13.148 97 HB2 GLU 11 2HB GLU 11 9.821 1.132 13.985 98 HB3 GLU 11 1HB GLU 11 8.680 1.092 12.649 99 HG2 GLU 11 2HG GLU 11 7.650 -0.934 13.528 100 HG3 GLU 11 1HG GLU 11 8.871 -1.049 14.795 101 H GLU 12 H GLU 12 9.388 -2.708 12.777 102 HA GLU 12 HA GLU 12 8.090 -2.872 10.099 103 HB2 GLU 12 2HB GLU 12 9.005 -5.149 11.920 104 HB3 GLU 12 1HB GLU 12 8.180 -5.355 10.376 105 HG2 GLU 12 2HG GLU 12 10.089 -4.330 9.197 106 HG3 GLU 12 1HG GLU 12 10.900 -4.058 10.738 107 H LEU 13 H LEU 13 5.897 -3.442 9.996 108 HA LEU 13 HA LEU 13 4.406 -3.082 12.573 109 HB2 LEU 13 2HB LEU 13 3.493 -2.321 9.771 110 HB3 LEU 13 1HB LEU 13 2.643 -1.985 11.273 111 HG LEU 13 HG LEU 13 5.320 -0.791 10.454 112 HD11 LEU 13 1HD1 LEU 13 2.578 0.491 10.596 113 HD12 LEU 13 2HD1 LEU 13 3.499 0.132 9.136 114 HD13 LEU 13 3HD1 LEU 13 4.094 1.337 10.270 115 HD21 LEU 13 3HD2 LEU 13 5.084 0.642 12.452 116 HD22 LEU 13 1HD2 LEU 13 5.232 -1.066 12.868 117 HD23 LEU 13 2HD2 LEU 13 3.655 -0.276 12.935 118 H ILE 14 H ILE 14 3.833 -4.478 9.293 119 HA ILE 14 HA ILE 14 2.214 -6.689 10.419 120 HB ILE 14 HB ILE 14 1.096 -4.780 8.279 121 HG12 ILE 14 2HG1 ILE 14 0.172 -4.949 11.185 122 HG13 ILE 14 1HG1 ILE 14 1.167 -3.655 10.533 123 HG21 ILE 14 1HG2 ILE 14 -0.297 -7.037 9.777 124 HG22 ILE 14 2HG2 ILE 14 0.252 -7.104 8.102 125 HG23 ILE 14 3HG2 ILE 14 -1.035 -5.989 8.562 126 HD11 ILE 14 3HD1 ILE 14 -1.156 -3.000 10.739 127 HD12 ILE 14 1HD1 ILE 14 -1.644 -4.309 9.663 128 HD13 ILE 14 2HD1 ILE 14 -0.640 -2.989 9.054 129 H VAL 15 H VAL 15 3.149 -8.481 9.385 130 HA VAL 15 HA VAL 15 4.066 -8.271 6.604 131 HB VAL 15 HB VAL 15 4.067 -10.731 8.415 132 HG11 VAL 15 1HG1 VAL 15 4.097 -11.372 6.042 133 HG12 VAL 15 2HG1 VAL 15 5.668 -11.696 6.774 134 HG13 VAL 15 3HG1 VAL 15 5.456 -10.284 5.738 135 HG21 VAL 15 3HG2 VAL 15 6.335 -8.800 7.784 136 HG22 VAL 15 1HG2 VAL 15 6.494 -10.294 8.711 137 HG23 VAL 15 2HG2 VAL 15 5.511 -8.969 9.335 138 H LEU 16 H LEU 16 2.831 -8.775 4.895 139 HA LEU 16 HA LEU 16 0.057 -9.630 5.379 140 HB2 LEU 16 2HB LEU 16 1.324 -8.346 2.928 141 HB3 LEU 16 1HB LEU 16 -0.389 -8.686 3.128 142 HG LEU 16 HG LEU 16 1.223 -6.723 4.814 143 HD11 LEU 16 1HD1 LEU 16 0.872 -5.858 2.555 144 HD12 LEU 16 2HD1 LEU 16 -0.094 -4.954 3.718 145 HD13 LEU 16 3HD1 LEU 16 -0.863 -6.160 2.680 146 HD21 LEU 16 3HD2 LEU 16 -0.925 -6.070 5.811 147 HD22 LEU 16 1HD2 LEU 16 -0.553 -7.762 6.133 148 HD23 LEU 16 2HD2 LEU 16 -1.745 -7.340 4.903 149 H SER 17 H SER 17 3.002 -10.685 3.718 150 HA SER 17 HA SER 17 2.115 -13.317 3.316 151 HB2 SER 17 2HB SER 17 0.716 -12.255 1.509 152 HB3 SER 17 1HB SER 17 2.192 -11.692 0.728 153 HG SER 17 HG SER 17 1.078 -14.227 0.838 154 H GLU 18 H GLU 18 3.654 -14.626 2.203 155 HA GLU 18 HA GLU 18 6.399 -13.566 1.812 156 HB2 GLU 18 2HB GLU 18 6.384 -14.561 4.054 157 HB3 GLU 18 1HB GLU 18 5.601 -16.021 3.455 158 HG2 GLU 18 2HG GLU 18 7.622 -16.542 2.115 159 HG3 GLU 18 1HG GLU 18 8.407 -15.096 2.741 160 H ASN 19 H ASN 19 7.446 -14.441 0.019 161 HA ASN 19 HA ASN 19 5.632 -15.877 -1.851 162 HB2 ASN 19 2HB ASN 19 6.992 -13.753 -2.431 163 HB3 ASN 19 1HB ASN 19 8.423 -14.768 -2.460 164 HD21 ASN 19 1HD2 ASN 19 7.214 -13.139 -4.552 165 HD22 ASN 19 2HD2 ASN 19 6.915 -14.200 -5.882 166 H ALA 20 H ALA 20 6.482 -17.730 -3.180 167 HA ALA 20 HA ALA 20 7.953 -19.749 -1.811 168 HB1 ALA 20 3HB ALA 20 7.378 -19.483 -4.782 169 HB2 ALA 20 1HB ALA 20 6.341 -20.262 -3.593 170 HB3 ALA 20 2HB ALA 20 7.920 -20.955 -3.966 171 H LYS 21 H LYS 21 8.966 -17.038 -3.752 172 HA LYS 21 HA LYS 21 11.776 -17.909 -3.936 173 HB2 LYS 21 2HB LYS 21 10.504 -15.217 -4.647 174 HB3 LYS 21 1HB LYS 21 12.159 -15.693 -4.998 175 HG2 LYS 21 2HG LYS 21 9.672 -16.969 -6.168 176 HG3 LYS 21 1HG LYS 21 10.729 -15.820 -6.991 177 HD2 LYS 21 2HD LYS 21 12.594 -17.437 -6.875 178 HD3 LYS 21 1HD LYS 21 11.561 -18.583 -6.016 179 HE2 LYS 21 2HE LYS 21 10.092 -18.749 -7.977 180 HE3 LYS 21 1HE LYS 21 11.078 -17.565 -8.836 181 HZ1 LYS 21 3HZ LYS 21 12.006 -20.228 -7.903 182 HZ2 LYS 21 1HZ LYS 21 12.937 -19.104 -8.759 183 HZ3 LYS 21 2HZ LYS 21 11.599 -19.835 -9.492 184 H GLY 22 H GLY 22 9.704 -16.565 -1.698 185 HA2 GLY 22 2HA GLY 22 10.333 -16.378 0.578 186 HA3 GLY 22 1HA GLY 22 11.853 -15.630 0.099 187 H TRP 23 H TRP 23 10.418 -14.009 -1.981 188 HA TRP 23 HA TRP 23 10.676 -11.612 -0.726 189 HB2 TRP 23 2HB TRP 23 9.084 -12.332 -3.215 190 HB3 TRP 23 1HB TRP 23 9.197 -10.668 -2.654 191 HD1 TRP 23 HD1 TRP 23 11.929 -13.425 -3.161 192 HE1 TRP 23 HE1 TRP 23 13.833 -12.402 -4.525 193 HE3 TRP 23 HE3 TRP 23 9.997 -8.718 -3.858 194 HZ2 TRP 23 HZ2 TRP 23 14.446 -9.925 -5.770 195 HZ3 TRP 23 HZ3 TRP 23 11.307 -7.084 -5.159 196 HH2 TRP 23 HH2 TRP 23 13.490 -7.677 -6.094 197 H ARG 24 H ARG 24 9.593 -10.534 0.803 198 HA ARG 24 HA ARG 24 6.928 -11.511 1.627 199 HB2 ARG 24 2HB ARG 24 9.127 -10.050 3.161 200 HB3 ARG 24 1HB ARG 24 7.525 -10.373 3.817 201 HG2 ARG 24 2HG ARG 24 7.941 -12.812 3.579 202 HG3 ARG 24 1HG ARG 24 9.567 -12.461 2.989 203 HD2 ARG 24 2HD ARG 24 10.158 -11.432 5.133 204 HD3 ARG 24 1HD ARG 24 8.509 -11.660 5.726 205 HE ARG 24 HE ARG 24 9.343 -14.173 5.040 206 HH11 ARG 24 1HH1 ARG 24 10.601 -11.723 7.228 207 HH12 ARG 24 2HH1 ARG 24 11.306 -12.880 8.308 208 HH21 ARG 24 1HH2 ARG 24 10.252 -15.679 6.459 209 HH22 ARG 24 2HH2 ARG 24 11.109 -15.132 7.870 210 H LYS 25 H LYS 25 5.256 -10.201 1.048 211 HA LYS 25 HA LYS 25 5.770 -7.310 0.733 212 HB2 LYS 25 2HB LYS 25 3.314 -7.206 0.008 213 HB3 LYS 25 1HB LYS 25 4.470 -7.947 -1.080 214 HG2 LYS 25 2HG LYS 25 3.656 -10.166 -0.504 215 HG3 LYS 25 1HG LYS 25 2.536 -9.480 0.679 216 HD2 LYS 25 2HD LYS 25 1.178 -8.487 -0.998 217 HD3 LYS 25 1HD LYS 25 2.442 -8.591 -2.222 218 HE2 LYS 25 2HE LYS 25 2.136 -10.996 -2.399 219 HE3 LYS 25 1HE LYS 25 0.982 -10.982 -1.059 220 HZ1 LYS 25 3HZ LYS 25 -0.562 -9.774 -2.343 221 HZ2 LYS 25 1HZ LYS 25 -0.011 -11.032 -3.334 222 HZ3 LYS 25 2HZ LYS 25 0.560 -9.459 -3.566 223 H GLU 26 H GLU 26 5.674 -6.141 2.397 224 HA GLU 26 HA GLU 26 3.697 -6.588 4.533 225 HB2 GLU 26 2HB GLU 26 5.695 -6.236 6.172 226 HB3 GLU 26 1HB GLU 26 5.484 -7.808 5.421 227 HG2 GLU 26 2HG GLU 26 7.761 -7.542 5.206 228 HG3 GLU 26 1HG GLU 26 7.222 -6.908 3.655 229 H LEU 27 H LEU 27 3.802 -4.869 6.157 230 HA LEU 27 HA LEU 27 4.249 -2.176 5.085 231 HB2 LEU 27 2HB LEU 27 1.881 -2.710 5.632 232 HB3 LEU 27 1HB LEU 27 2.351 -3.201 7.249 233 HG LEU 27 HG LEU 27 3.061 -0.823 7.704 234 HD11 LEU 27 1HD1 LEU 27 3.433 -0.009 5.431 235 HD12 LEU 27 2HD1 LEU 27 2.258 0.999 6.269 236 HD13 LEU 27 3HD1 LEU 27 1.711 -0.171 5.067 237 HD21 LEU 27 3HD2 LEU 27 0.147 -1.194 6.966 238 HD22 LEU 27 1HD2 LEU 27 0.797 0.013 8.076 239 HD23 LEU 27 2HD2 LEU 27 0.906 -1.698 8.479 240 H ASN 28 H ASN 28 6.041 -1.363 5.901 241 HA ASN 28 HA ASN 28 6.768 -1.667 8.745 242 HB2 ASN 28 2HB ASN 28 9.113 -2.055 8.230 243 HB3 ASN 28 1HB ASN 28 8.161 -3.284 7.419 244 HD21 ASN 28 1HD2 ASN 28 7.411 -1.584 5.110 245 HD22 ASN 28 2HD2 ASN 28 8.849 -1.379 4.193 246 H ARG 29 H ARG 29 8.173 0.113 9.490 247 HA ARG 29 HA ARG 29 7.573 2.618 8.082 248 HB2 ARG 29 2HB ARG 29 8.604 2.121 10.914 249 HB3 ARG 29 1HB ARG 29 8.387 3.714 10.194 250 HG2 ARG 29 2HG ARG 29 5.929 3.106 9.874 251 HG3 ARG 29 1HG ARG 29 6.241 1.702 10.899 252 HD2 ARG 29 2HD ARG 29 5.309 3.546 12.213 253 HD3 ARG 29 1HD ARG 29 6.969 3.208 12.727 254 HE ARG 29 HE ARG 29 6.943 5.222 10.728 255 HH11 ARG 29 1HH1 ARG 29 6.171 4.843 14.154 256 HH12 ARG 29 2HH1 ARG 29 6.465 6.517 14.508 257 HH21 ARG 29 1HH2 ARG 29 7.321 7.409 11.233 258 HH22 ARG 29 2HH2 ARG 29 7.112 7.964 12.865 259 H VAL 30 H VAL 30 9.094 3.517 6.923 260 HA VAL 30 HA VAL 30 11.953 2.815 7.261 261 HB VAL 30 HB VAL 30 10.452 3.088 4.593 262 HG11 VAL 30 1HG1 VAL 30 12.760 3.900 4.373 263 HG12 VAL 30 2HG1 VAL 30 12.558 2.379 3.502 264 HG13 VAL 30 3HG1 VAL 30 13.377 2.399 5.068 265 HG21 VAL 30 3HG2 VAL 30 10.920 0.675 4.267 266 HG22 VAL 30 1HG2 VAL 30 9.915 0.957 5.692 267 HG23 VAL 30 2HG2 VAL 30 11.632 0.597 5.881 268 H SER 31 H SER 31 13.407 4.430 6.698 269 HA SER 31 HA SER 31 12.447 7.189 6.228 270 HB2 SER 31 2HB SER 31 13.712 7.014 8.339 271 HB3 SER 31 1HB SER 31 15.036 6.184 7.517 272 HG SER 31 HG SER 31 14.416 8.868 7.633 273 H TRP 32 H TRP 32 12.824 7.846 4.151 274 HA TRP 32 HA TRP 32 14.740 6.343 2.461 275 HB2 TRP 32 2HB TRP 32 12.313 8.040 1.711 276 HB3 TRP 32 1HB TRP 32 13.461 7.421 0.532 277 HD1 TRP 32 HD1 TRP 32 10.466 6.350 2.624 278 HE1 TRP 32 HE1 TRP 32 9.713 4.019 1.839 279 HE3 TRP 32 HE3 TRP 32 14.476 5.145 -0.331 280 HZ2 TRP 32 HZ2 TRP 32 10.731 1.907 0.277 281 HZ3 TRP 32 HZ3 TRP 32 14.506 2.946 -1.438 282 HH2 TRP 32 HH2 TRP 32 12.668 1.357 -1.140 283 H ASN 33 H ASN 33 16.585 7.333 2.125 284 HA ASN 33 HA ASN 33 18.266 8.873 1.932 285 HB2 ASN 33 2HB ASN 33 15.959 10.318 0.564 286 HB3 ASN 33 1HB ASN 33 17.571 11.031 0.613 287 HD21 ASN 33 1HD2 ASN 33 15.860 10.038 -1.629 288 HD22 ASN 33 2HD2 ASN 33 16.903 8.978 -2.508 289 H ASP 34 H ASP 34 17.170 8.769 4.453 290 HA ASP 34 HA ASP 34 17.174 9.731 6.489 291 HB2 ASP 34 2HB ASP 34 18.640 11.998 5.077 292 HB3 ASP 34 1HB ASP 34 18.398 11.943 6.816 293 H ALA 35 H ALA 35 14.865 10.294 4.569 294 HA ALA 35 HA ALA 35 13.872 12.922 5.320 295 HB1 ALA 35 3HB ALA 35 12.459 10.651 3.867 296 HB2 ALA 35 1HB ALA 35 13.328 11.987 3.109 297 HB3 ALA 35 2HB ALA 35 11.864 12.307 4.035 298 H GLU 36 H GLU 36 11.709 13.157 6.312 299 HA GLU 36 HA GLU 36 11.362 12.281 8.844 300 HB2 GLU 36 2HB GLU 36 9.107 12.915 6.890 301 HB3 GLU 36 1HB GLU 36 8.952 12.934 8.641 302 HG2 GLU 36 2HG GLU 36 10.754 14.750 7.016 303 HG3 GLU 36 1HG GLU 36 9.192 15.200 7.697 304 HA PRO 37 HA PRO 37 10.764 7.830 8.411 305 HB2 PRO 37 2HB PRO 37 9.966 7.295 11.039 306 HB3 PRO 37 1HB PRO 37 11.651 7.515 10.530 307 HG2 PRO 37 2HG PRO 37 9.802 9.512 11.786 308 HG3 PRO 37 1HG PRO 37 11.519 9.193 12.127 309 HD2 PRO 37 2HD PRO 37 10.801 11.290 10.619 310 HD3 PRO 37 1HD PRO 37 12.258 10.350 10.233 311 H LYS 38 H LYS 38 9.053 6.721 7.579 312 HA LYS 38 HA LYS 38 6.312 7.459 8.252 313 HB2 LYS 38 2HB LYS 38 5.783 7.871 5.780 314 HB3 LYS 38 1HB LYS 38 6.704 9.138 6.585 315 HG2 LYS 38 2HG LYS 38 8.785 8.282 5.528 316 HG3 LYS 38 1HG LYS 38 7.840 7.025 4.721 317 HD2 LYS 38 2HD LYS 38 8.281 8.912 3.181 318 HD3 LYS 38 1HD LYS 38 6.552 8.752 3.500 319 HE2 LYS 38 2HE LYS 38 6.722 10.591 5.170 320 HE3 LYS 38 1HE LYS 38 8.431 10.772 4.776 321 HZ1 LYS 38 3HZ LYS 38 7.727 11.249 2.460 322 HZ2 LYS 38 1HZ LYS 38 7.207 12.401 3.583 323 HZ3 LYS 38 2HZ LYS 38 6.117 11.258 2.978 324 H TYR 39 H TYR 39 4.857 6.174 6.581 325 HA TYR 39 HA TYR 39 5.495 3.407 7.225 326 HB2 TYR 39 2HB TYR 39 2.936 4.601 6.071 327 HB3 TYR 39 1HB TYR 39 3.115 3.016 6.827 328 HD1 TYR 39 HD1 TYR 39 2.868 6.658 7.457 329 HD2 TYR 39 HD2 TYR 39 3.313 2.828 9.299 330 HE1 TYR 39 HE1 TYR 39 2.367 7.655 9.634 331 HE2 TYR 39 HE2 TYR 39 2.800 3.828 11.485 332 HH TYR 39 HH TYR 39 1.459 6.892 11.850 333 H ASP 40 H ASP 40 5.794 1.859 5.761 334 HA ASP 40 HA ASP 40 5.747 2.490 2.849 335 HB2 ASP 40 2HB ASP 40 8.083 2.599 3.923 336 HB3 ASP 40 1HB ASP 40 7.946 0.868 4.224 337 H ILE 41 H ILE 41 4.940 0.866 1.554 338 HA ILE 41 HA ILE 41 4.382 -1.771 2.725 339 HB ILE 41 HB ILE 41 2.278 -0.663 3.105 340 HG12 ILE 41 2HG1 ILE 41 2.026 -2.389 0.600 341 HG13 ILE 41 1HG1 ILE 41 2.145 -2.993 2.247 342 HG21 ILE 41 1HG2 ILE 41 0.934 0.470 1.369 343 HG22 ILE 41 2HG2 ILE 41 2.245 0.243 0.213 344 HG23 ILE 41 3HG2 ILE 41 2.487 1.273 1.623 345 HD11 ILE 41 3HD1 ILE 41 -0.023 -1.933 2.760 346 HD12 ILE 41 1HD1 ILE 41 -0.122 -3.115 1.455 347 HD13 ILE 41 2HD1 ILE 41 -0.133 -1.392 1.082 348 H ARG 42 H ARG 42 5.360 -3.086 1.495 349 HA ARG 42 HA ARG 42 5.567 -2.918 -1.419 350 HB2 ARG 42 2HB ARG 42 7.144 -1.133 -0.769 351 HB3 ARG 42 1HB ARG 42 7.989 -2.224 0.319 352 HG2 ARG 42 2HG ARG 42 8.898 -3.487 -1.521 353 HG3 ARG 42 1HG ARG 42 7.879 -2.646 -2.687 354 HD2 ARG 42 2HD ARG 42 9.940 -1.179 -1.021 355 HD3 ARG 42 1HD ARG 42 10.354 -1.969 -2.540 356 HE ARG 42 HE ARG 42 8.975 -0.440 -3.718 357 HH11 ARG 42 1HH1 ARG 42 9.278 0.358 -0.333 358 HH12 ARG 42 2HH1 ARG 42 8.799 2.007 -0.544 359 HH21 ARG 42 1HH2 ARG 42 8.348 1.728 -4.003 360 HH22 ARG 42 2HH2 ARG 42 8.272 2.795 -2.638 361 H THR 43 H THR 43 7.083 -4.699 -2.328 362 HA THR 43 HA THR 43 7.073 -7.027 -0.556 363 HB THR 43 HB THR 43 7.429 -6.959 -3.596 364 HG1 THR 43 HG1 THR 43 5.213 -6.406 -2.300 365 HG21 THR 43 3HG2 THR 43 6.816 -9.367 -3.417 366 HG22 THR 43 1HG2 THR 43 6.723 -9.207 -1.658 367 HG23 THR 43 2HG2 THR 43 8.270 -9.002 -2.486 368 H TRP 44 H TRP 44 9.023 -7.406 0.260 369 HA TRP 44 HA TRP 44 11.493 -6.384 -1.033 370 HB2 TRP 44 2HB TRP 44 10.853 -6.820 1.922 371 HB3 TRP 44 1HB TRP 44 12.427 -6.354 1.299 372 HD1 TRP 44 HD1 TRP 44 8.857 -4.874 1.800 373 HE1 TRP 44 HE1 TRP 44 9.120 -2.301 2.007 374 HE3 TRP 44 HE3 TRP 44 13.832 -4.417 0.654 375 HZ2 TRP 44 HZ2 TRP 44 11.102 -0.369 1.686 376 HZ3 TRP 44 HZ3 TRP 44 14.831 -2.170 0.634 377 HH2 TRP 44 HH2 TRP 44 13.495 -0.182 1.138 378 H SER 45 H SER 45 13.418 -7.739 -0.208 379 HA SER 45 HA SER 45 12.917 -10.611 -0.334 380 HB2 SER 45 2HB SER 45 15.366 -10.812 -0.198 381 HB3 SER 45 1HB SER 45 14.951 -9.555 -1.358 382 HG SER 45 HG SER 45 16.437 -9.381 0.855 383 HA PRO 46 HA PRO 46 12.808 -11.620 4.166 384 HB2 PRO 46 2HB PRO 46 15.095 -13.310 4.387 385 HB3 PRO 46 1HB PRO 46 13.447 -13.833 4.002 386 HG2 PRO 46 2HG PRO 46 15.702 -13.213 2.125 387 HG3 PRO 46 1HG PRO 46 14.516 -14.539 2.061 388 HD2 PRO 46 2HD PRO 46 14.209 -12.463 0.450 389 HD3 PRO 46 1HD PRO 46 12.782 -13.109 1.298 390 H ASP 47 H ASP 47 16.128 -11.043 2.929 391 HA ASP 47 HA ASP 47 17.096 -9.886 5.406 392 HB2 ASP 47 2HB ASP 47 18.561 -11.271 3.965 393 HB3 ASP 47 1HB ASP 47 18.379 -10.126 2.641 394 H HIS 48 H HIS 48 15.148 -8.610 2.944 395 HA HIS 48 HA HIS 48 14.494 -6.597 2.263 396 HB2 HIS 48 2HB HIS 48 15.784 -5.780 4.882 397 HB3 HIS 48 1HB HIS 48 14.981 -4.605 3.849 398 HD1 HIS 48 HD1 HIS 48 14.281 -7.007 6.516 399 HD2 HIS 48 HD2 HIS 48 12.190 -5.193 3.445 400 HE1 HIS 48 HE1 HIS 48 11.854 -7.214 7.134 401 HE2 HIS 48 HE2 HIS 48 10.646 -5.851 5.400 402 H GLU 49 H GLU 49 17.162 -7.651 1.494 403 HA GLU 49 HA GLU 49 18.846 -5.395 0.856 404 HB2 GLU 49 2HB GLU 49 20.189 -7.052 -0.417 405 HB3 GLU 49 1HB GLU 49 19.842 -7.633 1.208 406 HG2 GLU 49 2HG GLU 49 18.117 -9.121 0.377 407 HG3 GLU 49 1HG GLU 49 18.266 -8.464 -1.247 408 H LYS 50 H LYS 50 16.212 -7.117 -0.620 409 HA LYS 50 HA LYS 50 16.499 -5.645 -3.180 410 HB2 LYS 50 2HB LYS 50 15.454 -8.457 -2.655 411 HB3 LYS 50 1HB LYS 50 15.179 -7.620 -4.165 412 HG2 LYS 50 2HG LYS 50 18.002 -8.085 -3.190 413 HG3 LYS 50 1HG LYS 50 17.101 -9.378 -3.973 414 HD2 LYS 50 2HD LYS 50 18.411 -8.357 -5.686 415 HD3 LYS 50 1HD LYS 50 16.756 -7.816 -5.952 416 HE2 LYS 50 2HE LYS 50 17.335 -5.661 -4.818 417 HE3 LYS 50 1HE LYS 50 19.005 -6.217 -4.685 418 HZ1 LYS 50 3HZ LYS 50 19.119 -6.333 -7.103 419 HZ2 LYS 50 1HZ LYS 50 18.689 -4.776 -6.604 420 HZ3 LYS 50 2HZ LYS 50 17.513 -5.816 -7.229 421 H MET 51 H MET 51 14.523 -5.031 -4.181 422 HA MET 51 HA MET 51 12.041 -5.057 -2.658 423 HB2 MET 51 2HB MET 51 11.829 -2.582 -2.669 424 HB3 MET 51 1HB MET 51 13.169 -3.121 -1.678 425 HG2 MET 51 2HG MET 51 14.752 -2.475 -3.452 426 HG3 MET 51 1HG MET 51 13.404 -1.946 -4.464 427 HE1 MET 51 3HE MET 51 15.960 -0.079 -3.623 428 HE2 MET 51 1HE MET 51 15.113 1.443 -3.340 429 HE3 MET 51 2HE MET 51 14.670 0.431 -4.715 430 H GLY 52 H GLY 52 10.270 -3.965 -3.904 431 HA2 GLY 52 2HA GLY 52 10.615 -3.618 -6.782 432 HA3 GLY 52 1HA GLY 52 9.739 -5.067 -6.294 433 H LYS 53 H LYS 53 7.660 -4.658 -6.786 434 HA LYS 53 HA LYS 53 6.372 -2.201 -6.943 435 HB2 LYS 53 2HB LYS 53 5.223 -4.987 -6.519 436 HB3 LYS 53 1HB LYS 53 4.215 -3.571 -6.790 437 HG2 LYS 53 2HG LYS 53 5.371 -3.231 -8.992 438 HG3 LYS 53 1HG LYS 53 6.230 -4.753 -8.732 439 HD2 LYS 53 2HD LYS 53 4.115 -5.992 -8.718 440 HD3 LYS 53 1HD LYS 53 3.192 -4.490 -8.812 441 HE2 LYS 53 2HE LYS 53 3.261 -5.596 -10.988 442 HE3 LYS 53 1HE LYS 53 4.127 -4.062 -11.062 443 HZ1 LYS 53 3HZ LYS 53 6.202 -5.274 -10.873 444 HZ2 LYS 53 1HZ LYS 53 5.309 -5.820 -12.202 445 HZ3 LYS 53 2HZ LYS 53 5.370 -6.742 -10.786 446 H GLY 54 H GLY 54 6.013 -0.752 -5.348 447 HA2 GLY 54 2HA GLY 54 4.347 -1.264 -3.160 448 HA3 GLY 54 1HA GLY 54 6.019 -1.228 -2.608 449 H ILE 55 H ILE 55 4.542 0.631 -1.544 450 HA ILE 55 HA ILE 55 5.138 3.168 -2.891 451 HB ILE 55 HB ILE 55 2.877 2.769 -3.695 452 HG12 ILE 55 2HG1 ILE 55 2.745 4.752 -1.373 453 HG13 ILE 55 1HG1 ILE 55 3.342 5.107 -2.987 454 HG21 ILE 55 1HG2 ILE 55 2.167 1.044 -2.088 455 HG22 ILE 55 2HG2 ILE 55 0.936 2.296 -2.258 456 HG23 ILE 55 3HG2 ILE 55 1.982 2.273 -0.836 457 HD11 ILE 55 3HD1 ILE 55 1.102 4.737 -3.892 458 HD12 ILE 55 1HD1 ILE 55 1.118 5.988 -2.648 459 HD13 ILE 55 2HD1 ILE 55 0.508 4.380 -2.267 460 H THR 56 H THR 56 5.335 4.877 -1.473 461 HA THR 56 HA THR 56 5.500 4.205 1.406 462 HB THR 56 HB THR 56 6.761 6.728 0.271 463 HG1 THR 56 HG1 THR 56 7.876 4.097 0.216 464 HG21 THR 56 3HG2 THR 56 7.534 4.858 2.534 465 HG22 THR 56 1HG2 THR 56 6.683 6.395 2.724 466 HG23 THR 56 2HG2 THR 56 8.341 6.371 2.120 467 H LEU 57 H LEU 57 4.424 5.511 2.864 468 HA LEU 57 HA LEU 57 2.358 7.353 1.891 469 HB2 LEU 57 2HB LEU 57 2.037 5.136 3.975 470 HB3 LEU 57 1HB LEU 57 0.799 6.300 3.532 471 HG LEU 57 HG LEU 57 1.928 4.161 1.679 472 HD11 LEU 57 1HD1 LEU 57 -0.254 3.040 1.921 473 HD12 LEU 57 2HD1 LEU 57 -0.748 4.239 3.117 474 HD13 LEU 57 3HD1 LEU 57 0.595 3.145 3.465 475 HD21 LEU 57 3HD2 LEU 57 0.074 4.795 0.164 476 HD22 LEU 57 1HD2 LEU 57 1.216 6.115 0.414 477 HD23 LEU 57 2HD2 LEU 57 -0.342 6.128 1.243 478 H SER 58 H SER 58 2.243 9.122 3.112 479 HA SER 58 HA SER 58 4.180 9.617 5.238 480 HB2 SER 58 2HB SER 58 2.162 11.501 3.920 481 HB3 SER 58 1HB SER 58 3.515 11.975 4.951 482 HG SER 58 HG SER 58 3.507 11.077 2.300 483 H GLU 59 H GLU 59 3.342 10.766 7.218 484 HA GLU 59 HA GLU 59 1.673 8.972 8.581 485 HB2 GLU 59 2HB GLU 59 2.602 11.758 9.394 486 HB3 GLU 59 1HB GLU 59 1.945 10.542 10.492 487 HG2 GLU 59 2HG GLU 59 3.823 9.057 10.088 488 HG3 GLU 59 1HG GLU 59 4.444 10.112 8.818 489 H GLU 60 H GLU 60 0.968 12.159 7.206 490 HA GLU 60 HA GLU 60 -1.704 12.489 8.045 491 HB2 GLU 60 2HB GLU 60 -0.258 13.457 5.542 492 HB3 GLU 60 1HB GLU 60 -1.860 14.014 6.019 493 HG2 GLU 60 2HG GLU 60 -0.974 15.014 8.043 494 HG3 GLU 60 1HG GLU 60 0.621 14.331 7.728 495 H GLU 61 H GLU 61 -0.382 11.077 5.052 496 HA GLU 61 HA GLU 61 -2.842 10.588 3.720 497 HB2 GLU 61 2HB GLU 61 -0.140 9.210 3.300 498 HB3 GLU 61 1HB GLU 61 -1.467 9.263 2.139 499 HG2 GLU 61 2HG GLU 61 -1.222 11.666 1.893 500 HG3 GLU 61 1HG GLU 61 0.009 11.706 3.153 501 H PHE 62 H PHE 62 -0.612 8.405 5.341 502 HA PHE 62 HA PHE 62 -2.160 6.067 5.353 503 HB2 PHE 62 2HB PHE 62 0.315 6.150 5.699 504 HB3 PHE 62 1HB PHE 62 0.068 6.890 7.276 505 HD1 PHE 62 HD2 PHE 62 -0.406 3.770 5.302 506 HD2 PHE 62 HD1 PHE 62 -0.489 5.521 9.200 507 HE1 PHE 62 HE2 PHE 62 -0.493 1.534 6.312 508 HE2 PHE 62 HE1 PHE 62 -0.583 3.280 10.199 509 HZ PHE 62 HZ PHE 62 -0.575 1.291 8.757 510 H GLY 63 H GLY 63 -1.971 8.820 7.666 511 HA2 GLY 63 2HA GLY 63 -3.592 7.795 9.704 512 HA3 GLY 63 1HA GLY 63 -3.423 9.496 9.285 513 H VAL 64 H VAL 64 -4.503 9.590 6.742 514 HA VAL 64 HA VAL 64 -7.299 9.589 7.099 515 HB VAL 64 HB VAL 64 -5.647 9.636 4.539 516 HG11 VAL 64 1HG1 VAL 64 -7.654 10.453 3.352 517 HG12 VAL 64 2HG1 VAL 64 -8.617 10.212 4.812 518 HG13 VAL 64 3HG1 VAL 64 -7.901 8.824 3.993 519 HG21 VAL 64 3HG2 VAL 64 -7.014 11.916 6.016 520 HG22 VAL 64 1HG2 VAL 64 -6.071 12.059 4.530 521 HG23 VAL 64 2HG2 VAL 64 -5.282 11.574 6.032 522 H LEU 65 H LEU 65 -5.074 7.201 5.625 523 HA LEU 65 HA LEU 65 -6.919 5.344 4.643 524 HB2 LEU 65 2HB LEU 65 -4.403 5.376 4.257 525 HB3 LEU 65 1HB LEU 65 -4.202 4.724 5.870 526 HG LEU 65 HG LEU 65 -5.588 2.696 5.090 527 HD11 LEU 65 1HD1 LEU 65 -6.646 3.691 3.129 528 HD12 LEU 65 2HD1 LEU 65 -5.713 2.267 2.682 529 HD13 LEU 65 3HD1 LEU 65 -5.075 3.879 2.345 530 HD21 LEU 65 3HD2 LEU 65 -2.916 3.199 3.729 531 HD22 LEU 65 1HD2 LEU 65 -3.665 1.622 3.993 532 HD23 LEU 65 2HD2 LEU 65 -3.149 2.591 5.371 533 H LEU 66 H LEU 66 -5.310 5.512 7.856 534 HA LEU 66 HA LEU 66 -6.417 3.287 9.106 535 HB2 LEU 66 2HB LEU 66 -5.505 5.960 10.240 536 HB3 LEU 66 1HB LEU 66 -5.940 4.596 11.249 537 HG LEU 66 HG LEU 66 -3.632 4.662 9.277 538 HD11 LEU 66 1HD1 LEU 66 -3.209 6.034 11.268 539 HD12 LEU 66 2HD1 LEU 66 -2.178 4.607 11.244 540 HD13 LEU 66 3HD1 LEU 66 -3.584 4.658 12.313 541 HD21 LEU 66 3HD2 LEU 66 -4.491 2.438 11.158 542 HD22 LEU 66 1HD2 LEU 66 -3.005 2.466 10.205 543 HD23 LEU 66 2HD2 LEU 66 -4.566 2.412 9.393 544 H LYS 67 H LYS 67 -7.572 6.641 9.054 545 HA LYS 67 HA LYS 67 -9.788 6.467 10.770 546 HB2 LYS 67 2HB LYS 67 -9.192 8.270 8.390 547 HB3 LYS 67 1HB LYS 67 -10.600 8.506 9.418 548 HG2 LYS 67 2HG LYS 67 -9.326 9.208 11.245 549 HG3 LYS 67 1HG LYS 67 -7.864 8.416 10.664 550 HD2 LYS 67 2HD LYS 67 -7.654 10.857 10.507 551 HD3 LYS 67 1HD LYS 67 -7.593 10.118 8.913 552 HE2 LYS 67 2HE LYS 67 -10.089 11.416 10.059 553 HE3 LYS 67 1HE LYS 67 -8.901 12.274 9.087 554 HZ1 LYS 67 3HZ LYS 67 -10.606 10.011 8.191 555 HZ2 LYS 67 1HZ LYS 67 -9.359 10.692 7.271 556 HZ3 LYS 67 2HZ LYS 67 -10.696 11.623 7.700 557 H GLU 68 H GLU 68 -9.668 6.308 7.213 558 HA GLU 68 HA GLU 68 -12.487 5.908 6.976 559 HB2 GLU 68 2HB GLU 68 -10.371 5.627 4.815 560 HB3 GLU 68 1HB GLU 68 -12.102 5.804 4.567 561 HG2 GLU 68 2HG GLU 68 -10.154 7.873 5.589 562 HG3 GLU 68 1HG GLU 68 -11.091 7.915 4.099 563 H LEU 69 H LEU 69 -9.684 3.735 6.997 564 HA LEU 69 HA LEU 69 -11.087 1.356 6.244 565 HB2 LEU 69 2HB LEU 69 -8.540 1.730 7.876 566 HB3 LEU 69 1HB LEU 69 -9.193 0.145 7.486 567 HG LEU 69 HG LEU 69 -8.165 2.195 5.484 568 HD11 LEU 69 1HD1 LEU 69 -7.015 -0.493 6.295 569 HD12 LEU 69 2HD1 LEU 69 -6.370 1.093 6.728 570 HD13 LEU 69 3HD1 LEU 69 -6.375 0.579 5.044 571 HD21 LEU 69 3HD2 LEU 69 -8.524 0.505 3.764 572 HD22 LEU 69 1HD2 LEU 69 -10.048 0.955 4.528 573 HD23 LEU 69 2HD2 LEU 69 -9.271 -0.575 4.947 574 H GLY 70 H GLY 70 -10.415 2.956 9.339 575 HA2 GLY 70 2HA GLY 70 -11.573 1.121 11.128 576 HA3 GLY 70 1HA GLY 70 -11.441 2.853 11.386 577 H ASN 71 H ASN 71 -12.992 3.702 9.216 578 HA ASN 71 HA ASN 71 -15.711 3.443 10.119 579 HB2 ASN 71 2HB ASN 71 -14.617 4.528 7.476 580 HB3 ASN 71 1HB ASN 71 -16.272 4.750 8.045 581 HD21 ASN 71 1HD2 ASN 71 -14.114 6.707 7.435 582 HD22 ASN 71 2HD2 ASN 71 -13.967 7.669 8.860 583 H LYS 72 H LYS 72 -14.233 2.425 7.053 584 HA LYS 72 HA LYS 72 -15.998 0.559 6.101 585 HB2 LYS 72 2HB LYS 72 -12.966 0.429 5.917 586 HB3 LYS 72 1HB LYS 72 -14.051 -0.567 4.951 587 HG2 LYS 72 2HG LYS 72 -14.976 1.425 3.869 588 HG3 LYS 72 1HG LYS 72 -13.992 2.465 4.898 589 HD2 LYS 72 2HD LYS 72 -12.913 2.332 2.744 590 HD3 LYS 72 1HD LYS 72 -11.931 1.420 3.892 591 HE2 LYS 72 2HE LYS 72 -12.118 0.216 1.770 592 HE3 LYS 72 1HE LYS 72 -12.938 -0.687 3.049 593 HZ1 LYS 72 3HZ LYS 72 -15.043 0.261 2.270 594 HZ2 LYS 72 1HZ LYS 72 -14.279 -0.634 1.056 595 HZ3 LYS 72 2HZ LYS 72 -14.236 1.054 1.019 596 H LEU 73 H LEU 73 -14.142 0.071 9.024 597 HA LEU 73 HA LEU 73 -14.330 -2.806 9.026 598 HB2 LEU 73 2HB LEU 73 -13.717 -0.857 11.281 599 HB3 LEU 73 1HB LEU 73 -13.800 -2.596 11.525 600 HG LEU 73 HG LEU 73 -11.791 -1.091 9.810 601 HD11 LEU 73 1HD1 LEU 73 -11.387 -2.814 12.266 602 HD12 LEU 73 2HD1 LEU 73 -11.259 -1.056 12.183 603 HD13 LEU 73 3HD1 LEU 73 -10.104 -2.062 11.311 604 HD21 LEU 73 3HD2 LEU 73 -12.137 -4.100 10.021 605 HD22 LEU 73 1HD2 LEU 73 -10.786 -3.278 9.238 606 HD23 LEU 73 2HD2 LEU 73 -12.413 -3.109 8.586 607 H GLU 74 H GLU 74 -16.616 -0.345 9.598 608 HA GLU 74 HA GLU 74 -18.554 -1.952 11.061 609 HB2 GLU 74 2HB GLU 74 -18.698 0.662 9.515 610 HB3 GLU 74 1HB GLU 74 -20.197 -0.175 9.908 611 HG2 GLU 74 2HG GLU 74 -19.636 1.607 11.526 612 HG3 GLU 74 1HG GLU 74 -19.765 0.018 12.273 613 H HIS 75 H HIS 75 -17.310 -2.062 7.937 614 HA HIS 75 HA HIS 75 -19.609 -3.569 6.819 615 HB2 HIS 75 2HB HIS 75 -17.231 -2.264 5.402 616 HB3 HIS 75 1HB HIS 75 -18.492 -3.196 4.598 617 HD1 HIS 75 HD1 HIS 75 -20.158 -1.712 3.506 618 HD2 HIS 75 HD2 HIS 75 -18.586 0.028 6.931 619 HE1 HIS 75 HE1 HIS 75 -21.287 0.521 3.713 620 HE2 HIS 75 HE2 HIS 75 -20.118 1.643 5.633 621 H HIS 76 H HIS 76 -17.573 -4.535 8.809 622 HA HIS 76 HA HIS 76 -16.068 -6.607 7.571 623 HB2 HIS 76 2HB HIS 76 -15.915 -7.626 9.799 624 HB3 HIS 76 1HB HIS 76 -15.690 -5.892 9.947 625 HD1 HIS 76 HD1 HIS 76 -17.184 -4.701 11.623 626 HD2 HIS 76 HD2 HIS 76 -18.523 -8.524 10.745 627 HE1 HIS 76 HE1 HIS 76 -19.104 -5.118 13.170 628 HE2 HIS 76 HE2 HIS 76 -20.018 -7.341 12.466 629 H HIS 77 H HIS 77 -16.664 -8.864 7.284 630 HA HIS 77 HA HIS 77 -19.076 -8.924 5.814 631 HB2 HIS 77 2HB HIS 77 -16.990 -10.133 5.160 632 HB3 HIS 77 1HB HIS 77 -17.269 -11.281 6.464 633 HD1 HIS 77 HD1 HIS 77 -18.624 -13.303 5.846 634 HD2 HIS 77 HD2 HIS 77 -19.157 -10.197 3.134 635 HE1 HIS 77 HE1 HIS 77 -20.034 -14.251 4.001 636 HE2 HIS 77 HE2 HIS 77 -20.251 -12.396 2.323 637 H HIS 78 H HIS 78 -18.342 -10.135 9.021 638 HA HIS 78 HA HIS 78 -20.839 -11.637 9.252 639 HB2 HIS 78 2HB HIS 78 -18.702 -12.469 10.294 640 HB3 HIS 78 1HB HIS 78 -18.712 -11.078 11.369 641 HD1 HIS 78 HD1 HIS 78 -19.345 -11.893 13.627 642 HD2 HIS 78 HD2 HIS 78 -21.542 -13.792 10.663 643 HE1 HIS 78 HE1 HIS 78 -20.906 -13.441 14.832 644 HE2 HIS 78 HE2 HIS 78 -22.089 -14.699 13.010 645 H HIS 79 H HIS 79 -22.047 -9.619 8.704 646 HA HIS 79 HA HIS 79 -22.006 -7.319 10.381 647 HB2 HIS 79 2HB HIS 79 -22.710 -7.217 8.006 648 HB3 HIS 79 1HB HIS 79 -24.119 -8.209 8.372 649 HD1 HIS 79 HD1 HIS 79 -22.733 -4.739 8.921 650 HD2 HIS 79 HD2 HIS 79 -26.307 -6.794 9.437 651 HE1 HIS 79 HE1 HIS 79 -24.448 -2.989 9.456 652 HE2 HIS 79 HE2 HIS 79 -26.600 -4.248 9.770 653 H HIS 80 H HIS 80 -22.728 -7.238 12.356 654 HA HIS 80 HA HIS 80 -25.385 -8.199 13.083 655 HB2 HIS 80 2HB HIS 80 -23.744 -10.078 13.645 656 HB3 HIS 80 1HB HIS 80 -22.984 -8.988 14.800 657 HD1 HIS 80 HD1 HIS 80 -26.074 -11.019 14.232 658 HD2 HIS 80 HD2 HIS 80 -24.468 -8.566 17.182 659 HE1 HIS 80 HE1 HIS 80 -27.515 -11.363 16.253 660 HE2 HIS 80 HE2 HIS 80 -26.644 -9.725 17.950 661 H1 MET 1 1H MET 1 5.555 -11.106 -15.903 662 H2 MET 1 2H MET 1 5.297 -11.414 -14.266 663 H3 MET 1 3H MET 1 4.028 -10.863 -15.232 664 HA MET 1 HA MET 1 5.420 -13.447 -15.488 665 HB2 MET 1 2HB MET 1 2.620 -12.783 -14.483 666 HB3 MET 1 1HB MET 1 3.200 -14.415 -14.788 667 HG2 MET 1 2HG MET 1 4.955 -14.076 -13.057 668 HG3 MET 1 1HG MET 1 4.266 -12.490 -12.705 669 HE1 MET 1 3HE MET 1 4.751 -14.894 -10.552 670 HE2 MET 1 1HE MET 1 3.270 -14.764 -9.606 671 HE3 MET 1 2HE MET 1 4.128 -13.304 -10.099 672 H ALA 2 H ALA 2 2.475 -11.650 -16.531 673 HA ALA 2 HA ALA 2 2.371 -13.075 -19.088 674 HB1 ALA 2 3HB ALA 2 0.277 -12.649 -17.861 675 HB2 ALA 2 1HB ALA 2 0.263 -11.826 -19.422 676 HB3 ALA 2 2HB ALA 2 0.563 -10.909 -17.942 677 H ASP 3 H ASP 3 2.210 -11.899 -21.118 678 HA ASP 3 HA ASP 3 3.967 -9.562 -21.413 679 HB2 ASP 3 2HB ASP 3 2.516 -11.258 -23.508 680 HB3 ASP 3 1HB ASP 3 3.633 -9.948 -23.876 681 H LYS 4 H LYS 4 0.954 -9.753 -20.441 682 HA LYS 4 HA LYS 4 -0.030 -7.292 -21.652 683 HB2 LYS 4 2HB LYS 4 -0.925 -9.057 -23.165 684 HB3 LYS 4 1HB LYS 4 -1.547 -9.955 -21.790 685 HG2 LYS 4 2HG LYS 4 -2.995 -7.833 -21.320 686 HG3 LYS 4 1HG LYS 4 -2.566 -7.359 -22.964 687 HD2 LYS 4 2HD LYS 4 -4.734 -8.480 -22.992 688 HD3 LYS 4 1HD LYS 4 -3.552 -9.508 -23.805 689 HE2 LYS 4 2HE LYS 4 -3.361 -10.914 -21.802 690 HE3 LYS 4 1HE LYS 4 -4.448 -9.837 -20.921 691 HZ1 LYS 4 3HZ LYS 4 -5.602 -11.795 -21.722 692 HZ2 LYS 4 1HZ LYS 4 -5.176 -11.435 -23.316 693 HZ3 LYS 4 2HZ LYS 4 -6.210 -10.404 -22.467 694 H LEU 5 H LEU 5 -0.871 -6.147 -19.981 695 HA LEU 5 HA LEU 5 -2.371 -7.543 -17.852 696 HB2 LEU 5 2HB LEU 5 -0.481 -5.193 -17.398 697 HB3 LEU 5 1HB LEU 5 -1.669 -5.746 -16.225 698 HG LEU 5 HG LEU 5 0.747 -7.330 -17.193 699 HD11 LEU 5 1HD1 LEU 5 1.312 -5.510 -15.626 700 HD12 LEU 5 2HD1 LEU 5 1.564 -7.095 -14.903 701 HD13 LEU 5 3HD1 LEU 5 0.140 -6.147 -14.467 702 HD21 LEU 5 3HD2 LEU 5 -1.387 -8.122 -15.182 703 HD22 LEU 5 1HD2 LEU 5 0.101 -9.015 -15.506 704 HD23 LEU 5 2HD2 LEU 5 -1.117 -8.852 -16.766 705 H LYS 6 H LYS 6 -4.286 -6.723 -17.477 706 HA LYS 6 HA LYS 6 -5.103 -4.122 -18.642 707 HB2 LYS 6 2HB LYS 6 -6.779 -6.662 -18.300 708 HB3 LYS 6 1HB LYS 6 -7.399 -5.117 -18.865 709 HG2 LYS 6 2HG LYS 6 -5.327 -6.805 -20.304 710 HG3 LYS 6 1HG LYS 6 -7.039 -6.742 -20.707 711 HD2 LYS 6 2HD LYS 6 -5.152 -4.356 -20.817 712 HD3 LYS 6 1HD LYS 6 -5.598 -5.344 -22.208 713 HE2 LYS 6 2HE LYS 6 -7.901 -4.648 -22.066 714 HE3 LYS 6 1HE LYS 6 -7.629 -3.859 -20.511 715 HZ1 LYS 6 3HZ LYS 6 -6.448 -3.018 -23.106 716 HZ2 LYS 6 1HZ LYS 6 -6.181 -2.264 -21.616 717 HZ3 LYS 6 2HZ LYS 6 -7.725 -2.254 -22.306 718 H PHE 7 H PHE 7 -6.626 -2.931 -17.256 719 HA PHE 7 HA PHE 7 -7.029 -3.937 -14.531 720 HB2 PHE 7 2HB PHE 7 -6.324 -1.688 -13.626 721 HB3 PHE 7 1HB PHE 7 -4.995 -2.593 -14.327 722 HD1 PHE 7 HD1 PHE 7 -4.107 -1.911 -16.630 723 HD2 PHE 7 HD2 PHE 7 -6.893 0.504 -14.461 724 HE1 PHE 7 HE1 PHE 7 -3.535 0.026 -18.039 725 HE2 PHE 7 HE2 PHE 7 -6.319 2.427 -15.876 726 HZ PHE 7 HZ PHE 7 -4.645 2.195 -17.665 727 H GLU 8 H GLU 8 -9.081 -3.412 -13.793 728 HA GLU 8 HA GLU 8 -10.467 -1.101 -15.008 729 HB2 GLU 8 2HB GLU 8 -11.426 -3.145 -16.076 730 HB3 GLU 8 1HB GLU 8 -11.792 -3.808 -14.486 731 HG2 GLU 8 2HG GLU 8 -13.354 -1.932 -14.059 732 HG3 GLU 8 1HG GLU 8 -12.985 -1.256 -15.644 733 H ILE 9 H ILE 9 -11.279 0.198 -13.458 734 HA ILE 9 HA ILE 9 -10.811 -0.514 -10.676 735 HB ILE 9 HB ILE 9 -11.934 2.069 -11.867 736 HG12 ILE 9 2HG1 ILE 9 -9.139 1.465 -10.782 737 HG13 ILE 9 1HG1 ILE 9 -9.544 1.579 -12.489 738 HG21 ILE 9 1HG2 ILE 9 -11.019 1.499 -9.015 739 HG22 ILE 9 2HG2 ILE 9 -12.690 1.748 -9.527 740 HG23 ILE 9 3HG2 ILE 9 -11.527 3.070 -9.634 741 HD11 ILE 9 3HD1 ILE 9 -10.141 3.943 -12.164 742 HD12 ILE 9 1HD1 ILE 9 -8.465 3.585 -11.753 743 HD13 ILE 9 2HD1 ILE 9 -9.653 3.812 -10.471 744 H ILE 10 H ILE 10 -12.231 -1.733 -9.778 745 HA ILE 10 HA ILE 10 -14.964 -2.099 -10.683 746 HB ILE 10 HB ILE 10 -13.460 -3.354 -8.332 747 HG12 ILE 10 2HG1 ILE 10 -12.352 -3.958 -10.425 748 HG13 ILE 10 1HG1 ILE 10 -13.218 -5.364 -9.825 749 HG21 ILE 10 1HG2 ILE 10 -15.876 -3.524 -7.973 750 HG22 ILE 10 2HG2 ILE 10 -15.208 -5.112 -8.345 751 HG23 ILE 10 3HG2 ILE 10 -16.097 -4.220 -9.582 752 HD11 ILE 10 3HD1 ILE 10 -13.451 -5.211 -12.215 753 HD12 ILE 10 1HD1 ILE 10 -14.062 -3.561 -12.098 754 HD13 ILE 10 2HD1 ILE 10 -15.020 -4.905 -11.472 755 H GLU 11 H GLU 11 -13.158 -0.589 -8.047 756 HA GLU 11 HA GLU 11 -15.338 1.177 -7.381 757 HB2 GLU 11 2HB GLU 11 -16.033 -0.855 -6.126 758 HB3 GLU 11 1HB GLU 11 -14.483 -0.894 -5.301 759 HG2 GLU 11 2HG GLU 11 -15.003 1.132 -4.088 760 HG3 GLU 11 1HG GLU 11 -16.457 1.398 -5.044 761 H GLU 12 H GLU 12 -14.641 2.890 -6.045 762 HA GLU 12 HA GLU 12 -11.740 3.065 -5.409 763 HB2 GLU 12 2HB GLU 12 -13.743 5.313 -5.936 764 HB3 GLU 12 1HB GLU 12 -12.067 5.556 -5.439 765 HG2 GLU 12 2HG GLU 12 -11.277 4.482 -7.519 766 HG3 GLU 12 1HG GLU 12 -12.946 4.188 -7.997 767 H LEU 13 H LEU 13 -11.170 3.230 -3.302 768 HA LEU 13 HA LEU 13 -13.410 2.920 -1.353 769 HB2 LEU 13 2HB LEU 13 -10.478 2.181 -0.994 770 HB3 LEU 13 1HB LEU 13 -11.782 1.816 0.126 771 HG LEU 13 HG LEU 13 -11.483 0.653 -2.674 772 HD11 LEU 13 1HD1 LEU 13 -11.020 -0.621 0.038 773 HD12 LEU 13 2HD1 LEU 13 -9.799 -0.235 -1.176 774 HD13 LEU 13 3HD1 LEU 13 -11.005 -1.473 -1.511 775 HD21 LEU 13 3HD2 LEU 13 -13.849 0.845 -2.082 776 HD22 LEU 13 1HD2 LEU 13 -13.558 0.025 -0.545 777 HD23 LEU 13 2HD2 LEU 13 -13.348 -0.844 -2.068 778 H ILE 14 H ILE 14 -10.128 4.347 -1.439 779 HA ILE 14 HA ILE 14 -10.943 6.591 0.302 780 HB ILE 14 HB ILE 14 -8.460 4.887 0.934 781 HG12 ILE 14 2HG1 ILE 14 -11.084 4.808 2.501 782 HG13 ILE 14 1HG1 ILE 14 -10.536 3.539 1.411 783 HG21 ILE 14 1HG2 ILE 14 -8.405 6.174 3.046 784 HG22 ILE 14 2HG2 ILE 14 -9.849 7.059 2.556 785 HG23 ILE 14 3HG2 ILE 14 -8.347 7.254 1.648 786 HD11 ILE 14 3HD1 ILE 14 -8.606 3.132 2.838 787 HD12 ILE 14 1HD1 ILE 14 -10.119 2.970 3.725 788 HD13 ILE 14 2HD1 ILE 14 -9.131 4.415 3.933 789 H VAL 15 H VAL 15 -10.121 8.407 -0.762 790 HA VAL 15 HA VAL 15 -7.498 8.215 -2.113 791 HB VAL 15 HB VAL 15 -9.369 10.628 -1.960 792 HG11 VAL 15 1HG1 VAL 15 -7.024 11.304 -2.302 793 HG12 VAL 15 2HG1 VAL 15 -7.968 11.588 -3.763 794 HG13 VAL 15 3HG1 VAL 15 -6.885 10.199 -3.675 795 HG21 VAL 15 3HG2 VAL 15 -8.967 8.650 -4.235 796 HG22 VAL 15 1HG2 VAL 15 -9.941 10.121 -4.313 797 HG23 VAL 15 2HG2 VAL 15 -10.411 8.810 -3.231 798 H LEU 16 H LEU 16 -5.727 8.814 -1.106 799 HA LEU 16 HA LEU 16 -5.832 9.634 1.711 800 HB2 LEU 16 2HB LEU 16 -3.416 8.793 0.044 801 HB3 LEU 16 1HB LEU 16 -3.501 8.907 1.797 802 HG LEU 16 HG LEU 16 -4.951 6.872 0.061 803 HD11 LEU 16 1HD1 LEU 16 -2.574 6.369 0.262 804 HD12 LEU 16 2HD1 LEU 16 -3.529 5.195 1.164 805 HD13 LEU 16 3HD1 LEU 16 -2.670 6.479 2.022 806 HD21 LEU 16 3HD2 LEU 16 -5.737 5.856 2.145 807 HD22 LEU 16 1HD2 LEU 16 -6.353 7.494 1.950 808 HD23 LEU 16 2HD2 LEU 16 -5.027 7.180 3.073 809 H SER 17 H SER 17 -4.886 10.829 -1.449 810 HA SER 17 HA SER 17 -4.246 13.451 -0.723 811 HB2 SER 17 2HB SER 17 -2.285 12.283 0.387 812 HB3 SER 17 1HB SER 17 -1.778 11.707 -1.200 813 HG SER 17 HG SER 17 -1.724 14.277 -0.103 814 H GLU 18 H GLU 18 -3.268 14.605 -2.528 815 HA GLU 18 HA GLU 18 -3.476 13.411 -5.216 816 HB2 GLU 18 2HB GLU 18 -5.681 14.343 -4.873 817 HB3 GLU 18 1HB GLU 18 -5.028 15.845 -4.224 818 HG2 GLU 18 2HG GLU 18 -4.237 16.544 -6.368 819 HG3 GLU 18 1HG GLU 18 -4.521 14.962 -7.077 820 H ASN 19 H ASN 19 -2.086 14.349 -6.750 821 HA ASN 19 HA ASN 19 0.177 15.791 -5.435 822 HB2 ASN 19 2HB ASN 19 0.367 13.604 -6.830 823 HB3 ASN 19 1HB ASN 19 0.161 14.609 -8.252 824 HD21 ASN 19 1HD2 ASN 19 2.371 12.899 -7.199 825 HD22 ASN 19 2HD2 ASN 19 3.775 13.901 -7.284 826 H ALA 20 H ALA 20 1.343 17.563 -6.664 827 HA ALA 20 HA ALA 20 -0.285 19.561 -7.913 828 HB1 ALA 20 3HB ALA 20 1.849 20.694 -8.440 829 HB2 ALA 20 1HB ALA 20 2.739 19.225 -8.011 830 HB3 ALA 20 2HB ALA 20 1.843 20.106 -6.778 831 H LYS 21 H LYS 21 1.450 16.787 -9.066 832 HA LYS 21 HA LYS 21 1.131 17.226 -11.912 833 HB2 LYS 21 2HB LYS 21 1.615 14.658 -10.327 834 HB3 LYS 21 1HB LYS 21 1.768 14.811 -12.068 835 HG2 LYS 21 2HG LYS 21 3.497 16.253 -10.036 836 HG3 LYS 21 1HG LYS 21 3.952 14.781 -10.889 837 HD2 LYS 21 2HD LYS 21 3.367 17.459 -12.212 838 HD3 LYS 21 1HD LYS 21 4.975 16.822 -11.877 839 HE2 LYS 21 2HE LYS 21 4.591 14.951 -13.419 840 HE3 LYS 21 1HE LYS 21 2.936 15.497 -13.703 841 HZ1 LYS 21 3HZ LYS 21 5.380 17.050 -14.381 842 HZ2 LYS 21 1HZ LYS 21 3.786 17.512 -14.701 843 HZ3 LYS 21 2HZ LYS 21 4.451 16.171 -15.482 844 H GLY 22 H GLY 22 -0.839 16.274 -9.320 845 HA2 GLY 22 2HA GLY 22 -3.199 16.178 -9.399 846 HA3 GLY 22 1HA GLY 22 -3.115 15.395 -10.978 847 H TRP 23 H TRP 23 -0.801 13.759 -9.984 848 HA TRP 23 HA TRP 23 -2.130 11.380 -9.835 849 HB2 TRP 23 2HB TRP 23 0.694 12.153 -9.046 850 HB3 TRP 23 1HB TRP 23 0.146 10.489 -8.935 851 HD1 TRP 23 HD1 TRP 23 -0.015 13.183 -11.763 852 HE1 TRP 23 HE1 TRP 23 0.740 12.092 -13.935 853 HE3 TRP 23 HE3 TRP 23 0.889 8.455 -10.009 854 HZ2 TRP 23 HZ2 TRP 23 1.615 9.525 -14.828 855 HZ3 TRP 23 HZ3 TRP 23 1.688 6.744 -11.584 856 HH2 TRP 23 HH2 TRP 23 2.044 7.267 -13.945 857 H ARG 24 H ARG 24 -3.269 10.390 -8.352 858 HA ARG 24 HA ARG 24 -3.439 11.449 -5.612 859 HB2 ARG 24 2HB ARG 24 -5.215 9.595 -7.249 860 HB3 ARG 24 1HB ARG 24 -5.513 9.965 -5.555 861 HG2 ARG 24 2HG ARG 24 -6.253 12.118 -5.993 862 HG3 ARG 24 1HG ARG 24 -5.341 12.264 -7.493 863 HD2 ARG 24 2HD ARG 24 -6.919 11.038 -8.728 864 HD3 ARG 24 1HD ARG 24 -7.552 10.208 -7.311 865 HE ARG 24 HE ARG 24 -8.085 13.089 -7.633 866 HH11 ARG 24 1HH1 ARG 24 -9.262 9.760 -7.672 867 HH12 ARG 24 2HH1 ARG 24 -10.936 10.212 -7.635 868 HH21 ARG 24 1HH2 ARG 24 -10.315 13.659 -7.586 869 HH22 ARG 24 2HH2 ARG 24 -11.532 12.426 -7.585 870 H LYS 25 H LYS 25 -2.487 10.306 -3.960 871 HA LYS 25 HA LYS 25 -1.794 7.462 -4.306 872 HB2 LYS 25 2HB LYS 25 -1.625 9.291 -1.859 873 HB3 LYS 25 1HB LYS 25 -1.196 7.583 -1.842 874 HG2 LYS 25 2HG LYS 25 0.546 8.092 -3.615 875 HG3 LYS 25 1HG LYS 25 0.201 9.807 -3.354 876 HD2 LYS 25 2HD LYS 25 0.747 9.464 -0.910 877 HD3 LYS 25 1HD LYS 25 1.254 7.823 -1.304 878 HE2 LYS 25 2HE LYS 25 3.064 8.651 -2.675 879 HE3 LYS 25 1HE LYS 25 2.489 10.317 -2.515 880 HZ1 LYS 25 3HZ LYS 25 2.885 10.129 -0.098 881 HZ2 LYS 25 1HZ LYS 25 4.302 9.946 -1.007 882 HZ3 LYS 25 2HZ LYS 25 3.549 8.590 -0.338 883 H GLU 26 H GLU 26 -3.519 6.158 -4.338 884 HA GLU 26 HA GLU 26 -5.616 6.459 -2.275 885 HB2 GLU 26 2HB GLU 26 -7.392 6.108 -3.977 886 HB3 GLU 26 1HB GLU 26 -6.496 7.598 -4.245 887 HG2 GLU 26 2HG GLU 26 -5.216 6.505 -6.061 888 HG3 GLU 26 1HG GLU 26 -6.114 5.012 -5.793 889 H LEU 27 H LEU 27 -6.949 4.696 -2.013 890 HA LEU 27 HA LEU 27 -5.962 2.023 -2.744 891 HB2 LEU 27 2HB LEU 27 -5.878 2.454 -0.327 892 HB3 LEU 27 1HB LEU 27 -7.526 3.058 -0.340 893 HG LEU 27 HG LEU 27 -8.294 0.727 -0.967 894 HD11 LEU 27 1HD1 LEU 27 -5.449 -0.100 -0.301 895 HD12 LEU 27 2HD1 LEU 27 -6.230 -0.209 -1.879 896 HD13 LEU 27 3HD1 LEU 27 -6.816 -1.190 -0.539 897 HD21 LEU 27 3HD2 LEU 27 -6.863 0.984 1.689 898 HD22 LEU 27 1HD2 LEU 27 -8.200 -0.105 1.313 899 HD23 LEU 27 2HD2 LEU 27 -8.460 1.636 1.313 900 H ASN 28 H ASN 28 -7.205 1.188 -4.248 901 HA ASN 28 HA ASN 28 -10.136 1.425 -4.206 902 HB2 ASN 28 2HB ASN 28 -10.251 2.030 -6.603 903 HB3 ASN 28 1HB ASN 28 -9.411 3.271 -5.680 904 HD21 ASN 28 1HD2 ASN 28 -7.100 3.410 -5.900 905 HD22 ASN 28 2HD2 ASN 28 -6.335 2.829 -7.327 906 H ARG 29 H ARG 29 -11.159 -0.237 -5.635 907 HA ARG 29 HA ARG 29 -9.581 -2.711 -5.504 908 HB2 ARG 29 2HB ARG 29 -12.602 -2.292 -5.660 909 HB3 ARG 29 1HB ARG 29 -11.819 -3.866 -5.799 910 HG2 ARG 29 2HG ARG 29 -10.803 -3.442 -3.506 911 HG3 ARG 29 1HG ARG 29 -11.879 -2.047 -3.384 912 HD2 ARG 29 2HD ARG 29 -12.885 -3.934 -2.249 913 HD3 ARG 29 1HD ARG 29 -13.826 -3.576 -3.698 914 HE ARG 29 HE ARG 29 -12.325 -5.463 -4.698 915 HH11 ARG 29 1HH1 ARG 29 -13.696 -5.476 -1.451 916 HH12 ARG 29 2HH1 ARG 29 -13.767 -7.209 -1.370 917 HH21 ARG 29 1HH2 ARG 29 -12.473 -7.735 -4.561 918 HH22 ARG 29 2HH2 ARG 29 -13.082 -8.472 -3.113 919 H VAL 30 H VAL 30 -8.899 -3.554 -7.287 920 HA VAL 30 HA VAL 30 -9.966 -2.731 -9.929 921 HB VAL 30 HB VAL 30 -7.036 -3.241 -9.165 922 HG11 VAL 30 1HG1 VAL 30 -6.449 -2.601 -11.481 923 HG12 VAL 30 2HG1 VAL 30 -8.164 -2.507 -11.892 924 HG13 VAL 30 3HG1 VAL 30 -7.450 -4.055 -11.440 925 HG21 VAL 30 3HG2 VAL 30 -6.648 -0.862 -9.722 926 HG22 VAL 30 1HG2 VAL 30 -7.807 -1.036 -8.400 927 HG23 VAL 30 2HG2 VAL 30 -8.375 -0.648 -10.025 928 H SER 31 H SER 31 -10.181 -4.359 -11.428 929 HA SER 31 HA SER 31 -9.495 -7.150 -10.706 930 HB2 SER 31 2HB SER 31 -11.825 -6.936 -11.423 931 HB3 SER 31 1HB SER 31 -11.347 -6.023 -12.859 932 HG SER 31 HG SER 31 -11.651 -8.617 -12.667 933 H TRP 32 H TRP 32 -7.620 -7.848 -11.590 934 HA TRP 32 HA TRP 32 -6.351 -6.296 -13.754 935 HB2 TRP 32 2HB TRP 32 -5.190 -8.183 -11.658 936 HB3 TRP 32 1HB TRP 32 -4.256 -7.558 -13.009 937 HD1 TRP 32 HD1 TRP 32 -5.587 -6.521 -9.567 938 HE1 TRP 32 HE1 TRP 32 -4.498 -4.263 -8.932 939 HE3 TRP 32 HE3 TRP 32 -3.492 -5.297 -14.089 940 HZ2 TRP 32 HZ2 TRP 32 -3.058 -2.204 -10.196 941 HZ3 TRP 32 HZ3 TRP 32 -2.278 -3.164 -14.288 942 HH2 TRP 32 HH2 TRP 32 -2.067 -1.649 -12.377 943 H ASN 33 H ASN 33 -6.677 -7.122 -15.664 944 HA ASN 33 HA ASN 33 -6.879 -8.477 -17.468 945 HB2 ASN 33 2HB ASN 33 -5.015 -10.003 -15.680 946 HB3 ASN 33 1HB ASN 33 -5.759 -10.963 -16.958 947 HD21 ASN 33 1HD2 ASN 33 -2.996 -10.056 -16.447 948 HD22 ASN 33 2HD2 ASN 33 -2.496 -9.332 -17.920 949 H ASP 34 H ASP 34 -9.112 -8.231 -15.981 950 HA ASP 34 HA ASP 34 -11.195 -9.001 -15.608 951 HB2 ASP 34 2HB ASP 34 -10.910 -9.428 -18.089 952 HB3 ASP 34 1HB ASP 34 -10.455 -11.083 -17.723 953 H ALA 35 H ALA 35 -9.074 -10.070 -13.880 954 HA ALA 35 HA ALA 35 -9.933 -12.786 -13.152 955 HB1 ALA 35 3HB ALA 35 -7.771 -10.998 -11.980 956 HB2 ALA 35 1HB ALA 35 -7.530 -12.259 -13.192 957 HB3 ALA 35 2HB ALA 35 -8.050 -12.692 -11.563 958 H GLU 36 H GLU 36 -9.848 -12.939 -10.510 959 HA GLU 36 HA GLU 36 -12.097 -11.842 -9.362 960 HB2 GLU 36 2HB GLU 36 -9.540 -12.728 -7.965 961 HB3 GLU 36 1HB GLU 36 -11.061 -12.428 -7.137 962 HG2 GLU 36 2HG GLU 36 -10.584 -14.555 -9.240 963 HG3 GLU 36 1HG GLU 36 -10.671 -14.828 -7.506 964 HA PRO 37 HA PRO 37 -10.992 -7.454 -8.683 965 HB2 PRO 37 2HB PRO 37 -13.404 -7.592 -6.871 966 HB3 PRO 37 1HB PRO 37 -13.050 -6.456 -8.192 967 HG2 PRO 37 2HG PRO 37 -14.862 -8.349 -8.564 968 HG3 PRO 37 1HG PRO 37 -13.702 -7.969 -9.862 969 HD2 PRO 37 2HD PRO 37 -13.636 -10.262 -7.894 970 HD3 PRO 37 1HD PRO 37 -13.357 -10.279 -9.653 971 H LYS 38 H LYS 38 -9.579 -6.657 -7.213 972 HA LYS 38 HA LYS 38 -9.424 -7.707 -4.473 973 HB2 LYS 38 2HB LYS 38 -6.965 -8.161 -4.799 974 HB3 LYS 38 1HB LYS 38 -8.006 -9.233 -5.732 975 HG2 LYS 38 2HG LYS 38 -7.584 -7.687 -7.739 976 HG3 LYS 38 1HG LYS 38 -6.357 -6.899 -6.749 977 HD2 LYS 38 2HD LYS 38 -5.261 -8.532 -8.173 978 HD3 LYS 38 1HD LYS 38 -5.193 -9.114 -6.509 979 HE2 LYS 38 2HE LYS 38 -7.153 -10.583 -6.976 980 HE3 LYS 38 1HE LYS 38 -7.137 -10.038 -8.653 981 HZ1 LYS 38 3HZ LYS 38 -4.889 -11.436 -7.310 982 HZ2 LYS 38 1HZ LYS 38 -4.971 -11.002 -8.942 983 HZ3 LYS 38 2HZ LYS 38 -6.018 -12.176 -8.323 984 H TYR 39 H TYR 39 -7.530 -6.449 -3.299 985 HA TYR 39 HA TYR 39 -8.255 -3.649 -3.618 986 HB2 TYR 39 2HB TYR 39 -6.588 -5.052 -1.488 987 HB3 TYR 39 1HB TYR 39 -7.125 -3.372 -1.423 988 HD1 TYR 39 HD2 TYR 39 -9.545 -2.850 -1.065 989 HD2 TYR 39 HD1 TYR 39 -8.146 -6.881 -1.019 990 HE1 TYR 39 HE2 TYR 39 -11.644 -3.566 -0.004 991 HE2 TYR 39 HE1 TYR 39 -10.233 -7.598 0.018 992 HH TYR 39 HH TYR 39 -12.057 -6.633 1.399 993 H ASP 40 H ASP 40 -6.990 -2.167 -4.393 994 HA ASP 40 HA ASP 40 -4.141 -2.745 -5.031 995 HB2 ASP 40 2HB ASP 40 -5.767 -2.718 -7.025 996 HB3 ASP 40 1HB ASP 40 -5.983 -0.998 -6.724 997 H ILE 41 H ILE 41 -2.688 -1.218 -4.343 998 HA ILE 41 HA ILE 41 -3.671 1.367 -3.333 999 HB ILE 41 HB ILE 41 -3.628 0.032 -1.322 1000 HG12 ILE 41 2HG1 ILE 41 -1.107 1.756 -1.399 1001 HG13 ILE 41 1HG1 ILE 41 -2.737 2.350 -1.110 1002 HG21 ILE 41 1HG2 ILE 41 -1.677 -1.225 -0.501 1003 HG22 ILE 41 2HG2 ILE 41 -0.784 -0.808 -1.964 1004 HG23 ILE 41 3HG2 ILE 41 -2.213 -1.836 -2.069 1005 HD11 ILE 41 3HD1 ILE 41 -1.510 2.221 0.950 1006 HD12 ILE 41 1HD1 ILE 41 -1.152 0.515 0.684 1007 HD13 ILE 41 2HD1 ILE 41 -2.814 1.035 0.977 1008 H ARG 42 H ARG 42 -2.603 2.838 -4.283 1009 HA ARG 42 HA ARG 42 0.190 3.037 -4.679 1010 HB2 ARG 42 2HB ARG 42 0.459 2.756 -7.100 1011 HB3 ARG 42 1HB ARG 42 -0.054 1.249 -6.357 1012 HG2 ARG 42 2HG ARG 42 -2.217 1.382 -7.307 1013 HG3 ARG 42 1HG ARG 42 -2.025 3.091 -7.713 1014 HD2 ARG 42 2HD ARG 42 -1.803 1.295 -9.616 1015 HD3 ARG 42 1HD ARG 42 -0.675 2.648 -9.566 1016 HE ARG 42 HE ARG 42 1.047 1.202 -9.097 1017 HH11 ARG 42 1HH1 ARG 42 -1.960 -0.600 -8.800 1018 HH12 ARG 42 2HH1 ARG 42 -1.154 -2.132 -8.688 1019 HH21 ARG 42 1HH2 ARG 42 2.069 -0.794 -8.903 1020 HH22 ARG 42 2HH2 ARG 42 1.126 -2.244 -8.745 1021 H THR 43 H THR 43 0.587 4.647 -6.758 1022 HA THR 43 HA THR 43 -1.252 6.872 -6.363 1023 HB THR 43 HB THR 43 1.552 6.812 -7.584 1024 HG1 THR 43 HG1 THR 43 0.668 6.951 -4.939 1025 HG21 THR 43 3HG2 THR 43 1.504 9.241 -7.171 1026 HG22 THR 43 1HG2 THR 43 -0.147 9.110 -6.562 1027 HG23 THR 43 2HG2 THR 43 0.200 8.759 -8.257 1028 H TRP 44 H TRP 44 -2.640 7.181 -7.972 1029 HA TRP 44 HA TRP 44 -2.184 6.099 -10.700 1030 HB2 TRP 44 2HB TRP 44 -4.773 6.652 -9.164 1031 HB3 TRP 44 1HB TRP 44 -4.742 6.364 -10.897 1032 HD1 TRP 44 HD1 TRP 44 -4.619 4.513 -7.565 1033 HE1 TRP 44 HE1 TRP 44 -4.818 1.979 -8.023 1034 HE3 TRP 44 HE3 TRP 44 -4.032 4.542 -12.650 1035 HZ2 TRP 44 HZ2 TRP 44 -4.724 0.234 -10.225 1036 HZ3 TRP 44 HZ3 TRP 44 -4.097 2.397 -13.856 1037 HH2 TRP 44 HH2 TRP 44 -4.434 0.285 -12.668 1038 H SER 45 H SER 45 -2.963 7.488 -12.404 1039 HA SER 45 HA SER 45 -2.503 10.301 -12.023 1040 HB2 SER 45 2HB SER 45 -3.153 10.446 -14.443 1041 HB3 SER 45 1HB SER 45 -1.919 9.228 -14.142 1042 HG SER 45 HG SER 45 -3.702 8.611 -15.552 1043 HA PRO 46 HA PRO 46 -6.813 11.730 -11.322 1044 HB2 PRO 46 2HB PRO 46 -6.922 13.929 -13.044 1045 HB3 PRO 46 1HB PRO 46 -6.203 13.964 -11.423 1046 HG2 PRO 46 2HG PRO 46 -4.833 13.629 -14.072 1047 HG3 PRO 46 1HG PRO 46 -4.362 14.634 -12.680 1048 HD2 PRO 46 2HD PRO 46 -3.163 12.279 -13.126 1049 HD3 PRO 46 1HD PRO 46 -3.539 12.800 -11.466 1050 H ASP 47 H ASP 47 -5.555 10.970 -14.486 1051 HA ASP 47 HA ASP 47 -8.189 10.535 -15.693 1052 HB2 ASP 47 2HB ASP 47 -5.367 10.209 -16.812 1053 HB3 ASP 47 1HB ASP 47 -6.843 9.948 -17.738 1054 H HIS 48 H HIS 48 -6.029 8.799 -13.778 1055 HA HIS 48 HA HIS 48 -5.922 6.686 -12.982 1056 HB2 HIS 48 2HB HIS 48 -8.779 6.792 -13.950 1057 HB3 HIS 48 1HB HIS 48 -8.158 5.327 -13.196 1058 HD1 HIS 48 HD1 HIS 48 -9.815 8.404 -12.331 1059 HD2 HIS 48 HD2 HIS 48 -7.042 5.921 -10.512 1060 HE1 HIS 48 HE1 HIS 48 -9.915 8.959 -9.890 1061 HE2 HIS 48 HE2 HIS 48 -8.481 7.212 -8.805 1062 H GLU 49 H GLU 49 -5.328 7.111 -15.953 1063 HA GLU 49 HA GLU 49 -5.397 4.309 -16.909 1064 HB2 GLU 49 2HB GLU 49 -4.755 5.228 -19.112 1065 HB3 GLU 49 1HB GLU 49 -6.213 6.009 -18.505 1066 HG2 GLU 49 2HG GLU 49 -4.990 7.998 -17.897 1067 HG3 GLU 49 1HG GLU 49 -3.445 7.220 -18.227 1068 H LYS 50 H LYS 50 -3.385 6.414 -15.272 1069 HA LYS 50 HA LYS 50 -0.894 5.094 -16.170 1070 HB2 LYS 50 2HB LYS 50 -1.372 7.967 -15.304 1071 HB3 LYS 50 1HB LYS 50 0.230 7.268 -15.344 1072 HG2 LYS 50 2HG LYS 50 -1.453 7.271 -17.850 1073 HG3 LYS 50 1HG LYS 50 -0.645 8.748 -17.336 1074 HD2 LYS 50 2HD LYS 50 0.864 7.773 -18.869 1075 HD3 LYS 50 1HD LYS 50 1.530 7.365 -17.290 1076 HE2 LYS 50 2HE LYS 50 0.427 5.109 -17.511 1077 HE3 LYS 50 1HE LYS 50 -0.004 5.544 -19.168 1078 HZ1 LYS 50 3HZ LYS 50 2.406 5.895 -19.583 1079 HZ2 LYS 50 1HZ LYS 50 2.016 4.293 -19.205 1080 HZ3 LYS 50 2HZ LYS 50 2.735 5.285 -18.039 1081 H MET 51 H MET 51 0.467 4.417 -14.602 1082 HA MET 51 HA MET 51 -0.386 4.451 -11.775 1083 HB2 MET 51 2HB MET 51 -0.041 2.022 -11.639 1084 HB3 MET 51 1HB MET 51 -1.238 2.371 -12.874 1085 HG2 MET 51 2HG MET 51 0.547 2.082 -14.616 1086 HG3 MET 51 1HG MET 51 1.664 1.607 -13.338 1087 HE1 MET 51 3HE MET 51 -2.198 0.699 -13.864 1088 HE2 MET 51 1HE MET 51 -2.020 -0.855 -14.676 1089 HE3 MET 51 2HE MET 51 -1.476 0.622 -15.472 1090 H GLY 52 H GLY 52 1.419 3.615 -10.338 1091 HA2 GLY 52 2HA GLY 52 4.086 3.370 -11.501 1092 HA3 GLY 52 1HA GLY 52 3.831 4.790 -10.487 1093 H LYS 53 H LYS 53 4.933 4.364 -8.697 1094 HA LYS 53 HA LYS 53 5.560 1.859 -7.622 1095 HB2 LYS 53 2HB LYS 53 5.526 4.566 -6.206 1096 HB3 LYS 53 1HB LYS 53 6.266 3.111 -5.561 1097 HG2 LYS 53 2HG LYS 53 8.099 4.285 -6.392 1098 HG3 LYS 53 1HG LYS 53 7.752 3.163 -7.705 1099 HD2 LYS 53 2HD LYS 53 6.573 4.971 -8.931 1100 HD3 LYS 53 1HD LYS 53 6.904 6.089 -7.605 1101 HE2 LYS 53 2HE LYS 53 8.489 6.442 -9.441 1102 HE3 LYS 53 1HE LYS 53 9.341 5.841 -8.018 1103 HZ1 LYS 53 3HZ LYS 53 8.576 4.296 -10.435 1104 HZ2 LYS 53 1HZ LYS 53 9.226 3.598 -9.037 1105 HZ3 LYS 53 2HZ LYS 53 10.141 4.702 -9.934 1106 H GLY 54 H GLY 54 4.202 0.423 -6.697 1107 HA2 GLY 54 2HA GLY 54 2.589 0.790 -4.501 1108 HA3 GLY 54 1HA GLY 54 1.551 1.022 -5.897 1109 H ILE 55 H ILE 55 0.579 -0.954 -4.736 1110 HA ILE 55 HA ILE 55 1.698 -3.459 -5.720 1111 HB ILE 55 HB ILE 55 3.039 -3.016 -3.687 1112 HG12 ILE 55 2HG1 ILE 55 1.050 -5.284 -3.229 1113 HG13 ILE 55 1HG1 ILE 55 2.516 -5.381 -4.199 1114 HG21 ILE 55 1HG2 ILE 55 1.459 -1.564 -2.468 1115 HG22 ILE 55 2HG2 ILE 55 2.061 -2.862 -1.435 1116 HG23 ILE 55 3HG2 ILE 55 0.436 -2.958 -2.118 1117 HD11 ILE 55 3HD1 ILE 55 3.851 -4.964 -2.171 1118 HD12 ILE 55 1HD1 ILE 55 2.860 -6.418 -2.069 1119 HD13 ILE 55 2HD1 ILE 55 2.361 -4.957 -1.222 1120 H THR 56 H THR 56 0.264 -5.202 -5.461 1121 HA THR 56 HA THR 56 -2.572 -4.489 -4.939 1122 HB THR 56 HB THR 56 -1.786 -6.906 -6.613 1123 HG1 THR 56 HG1 THR 56 -2.123 -4.221 -7.541 1124 HG21 THR 56 3HG2 THR 56 -4.192 -5.057 -6.635 1125 HG22 THR 56 1HG2 THR 56 -4.142 -6.675 -5.924 1126 HG23 THR 56 2HG2 THR 56 -3.966 -6.469 -7.668 1127 H LEU 57 H LEU 57 -3.870 -6.001 -3.802 1128 HA LEU 57 HA LEU 57 -2.497 -7.869 -1.992 1129 HB2 LEU 57 2HB LEU 57 -4.483 -5.690 -1.170 1130 HB3 LEU 57 1HB LEU 57 -3.742 -6.857 -0.089 1131 HG LEU 57 HG LEU 57 -2.245 -4.651 -1.563 1132 HD11 LEU 57 1HD1 LEU 57 -2.024 -3.554 0.645 1133 HD12 LEU 57 2HD1 LEU 57 -3.083 -4.773 1.357 1134 HD13 LEU 57 3HD1 LEU 57 -3.709 -3.667 0.127 1135 HD21 LEU 57 3HD2 LEU 57 -0.338 -5.247 -0.109 1136 HD22 LEU 57 1HD2 LEU 57 -0.808 -6.582 -1.161 1137 HD23 LEU 57 2HD2 LEU 57 -1.261 -6.602 0.546 1138 H SER 58 H SER 58 -3.791 -9.559 -1.357 1139 HA SER 58 HA SER 58 -6.388 -10.007 -2.645 1140 HB2 SER 58 2HB SER 58 -4.679 -11.775 -0.829 1141 HB3 SER 58 1HB SER 58 -6.232 -12.268 -1.503 1142 HG SER 58 HG SER 58 -5.311 -11.885 -3.593 1143 H GLU 59 H GLU 59 -8.207 -10.719 -1.308 1144 HA GLU 59 HA GLU 59 -8.914 -8.759 0.593 1145 HB2 GLU 59 2HB GLU 59 -10.292 -11.444 0.122 1146 HB3 GLU 59 1HB GLU 59 -11.010 -10.002 0.835 1147 HG2 GLU 59 2HG GLU 59 -10.533 -8.825 -1.396 1148 HG3 GLU 59 1HG GLU 59 -10.162 -10.422 -2.041 1149 H GLU 60 H GLU 60 -7.652 -11.996 0.905 1150 HA GLU 60 HA GLU 60 -7.821 -12.482 3.647 1151 HB2 GLU 60 2HB GLU 60 -5.633 -13.287 1.671 1152 HB3 GLU 60 1HB GLU 60 -5.915 -14.043 3.236 1153 HG2 GLU 60 2HG GLU 60 -8.057 -14.910 2.502 1154 HG3 GLU 60 1HG GLU 60 -7.941 -14.018 0.985 1155 H GLU 61 H GLU 61 -5.116 -11.092 1.778 1156 HA GLU 61 HA GLU 61 -3.321 -10.659 3.937 1157 HB2 GLU 61 2HB GLU 61 -3.303 -9.234 1.231 1158 HB3 GLU 61 1HB GLU 61 -1.924 -9.515 2.295 1159 HG2 GLU 61 2HG GLU 61 -1.997 -11.883 1.881 1160 HG3 GLU 61 1HG GLU 61 -3.507 -11.731 0.982 1161 H PHE 62 H PHE 62 -5.294 -8.439 2.024 1162 HA PHE 62 HA PHE 62 -4.824 -6.066 3.423 1163 HB2 PHE 62 2HB PHE 62 -5.816 -6.166 1.156 1164 HB3 PHE 62 1HB PHE 62 -7.277 -6.901 1.808 1165 HD1 PHE 62 HD2 PHE 62 -5.204 -3.798 1.872 1166 HD2 PHE 62 HD1 PHE 62 -9.030 -5.529 2.678 1167 HE1 PHE 62 HE2 PHE 62 -6.146 -1.563 2.248 1168 HE2 PHE 62 HE1 PHE 62 -9.959 -3.291 3.062 1169 HZ PHE 62 HZ PHE 62 -8.520 -1.312 2.840 1170 H GLY 63 H GLY 63 -7.246 -8.649 3.944 1171 HA2 GLY 63 2HA GLY 63 -8.703 -7.522 6.048 1172 HA3 GLY 63 1HA GLY 63 -8.413 -9.243 5.819 1173 H VAL 64 H VAL 64 -5.735 -9.538 6.195 1174 HA VAL 64 HA VAL 64 -5.255 -9.527 8.940 1175 HB VAL 64 HB VAL 64 -3.186 -9.441 6.697 1176 HG11 VAL 64 1HG1 VAL 64 -1.597 -10.468 8.294 1177 HG12 VAL 64 2HG1 VAL 64 -2.797 -10.332 9.581 1178 HG13 VAL 64 3HG1 VAL 64 -2.129 -8.875 8.844 1179 HG21 VAL 64 3HG2 VAL 64 -4.741 -11.331 6.452 1180 HG22 VAL 64 1HG2 VAL 64 -4.395 -11.856 8.102 1181 HG23 VAL 64 2HG2 VAL 64 -3.129 -11.903 6.871 1182 H LEU 65 H LEU 65 -4.319 -7.155 6.450 1183 HA LEU 65 HA LEU 65 -2.854 -5.332 7.957 1184 HB2 LEU 65 2HB LEU 65 -3.133 -5.452 5.426 1185 HB3 LEU 65 1HB LEU 65 -4.714 -4.727 5.623 1186 HG LEU 65 HG LEU 65 -3.522 -2.697 6.654 1187 HD11 LEU 65 1HD1 LEU 65 -1.390 -3.769 7.217 1188 HD12 LEU 65 2HD1 LEU 65 -1.146 -2.394 6.144 1189 HD13 LEU 65 3HD1 LEU 65 -1.053 -4.037 5.503 1190 HD21 LEU 65 3HD2 LEU 65 -2.916 -3.377 3.753 1191 HD22 LEU 65 1HD2 LEU 65 -2.918 -1.758 4.460 1192 HD23 LEU 65 2HD2 LEU 65 -4.419 -2.677 4.364 1193 H LEU 66 H LEU 66 -6.389 -5.381 7.216 1194 HA LEU 66 HA LEU 66 -7.240 -3.075 8.492 1195 HB2 LEU 66 2HB LEU 66 -8.689 -5.726 8.101 1196 HB3 LEU 66 1HB LEU 66 -9.489 -4.279 8.687 1197 HG LEU 66 HG LEU 66 -8.202 -4.602 5.954 1198 HD11 LEU 66 1HD1 LEU 66 -10.295 -5.860 6.157 1199 HD12 LEU 66 2HD1 LEU 66 -10.482 -4.489 5.066 1200 HD13 LEU 66 3HD1 LEU 66 -11.136 -4.406 6.706 1201 HD21 LEU 66 3HD2 LEU 66 -7.951 -2.307 6.723 1202 HD22 LEU 66 1HD2 LEU 66 -9.671 -2.216 7.122 1203 HD23 LEU 66 2HD2 LEU 66 -9.153 -2.386 5.442 1204 H LYS 67 H LYS 67 -7.058 -6.380 9.864 1205 HA LYS 67 HA LYS 67 -8.191 -5.815 12.417 1206 HB2 LYS 67 2HB LYS 67 -6.048 -7.930 11.929 1207 HB3 LYS 67 1HB LYS 67 -7.324 -7.957 13.144 1208 HG2 LYS 67 2HG LYS 67 -9.004 -8.342 11.470 1209 HG3 LYS 67 1HG LYS 67 -7.848 -8.075 10.174 1210 HD2 LYS 67 2HD LYS 67 -8.197 -10.490 11.945 1211 HD3 LYS 67 1HD LYS 67 -8.061 -10.378 10.193 1212 HE2 LYS 67 2HE LYS 67 -6.043 -11.375 10.760 1213 HE3 LYS 67 1HE LYS 67 -5.581 -9.677 10.666 1214 HZ1 LYS 67 3HZ LYS 67 -4.692 -10.839 12.624 1215 HZ2 LYS 67 1HZ LYS 67 -6.260 -11.114 13.178 1216 HZ3 LYS 67 2HZ LYS 67 -5.671 -9.536 13.059 1217 H GLU 68 H GLU 68 -4.814 -6.166 11.378 1218 HA GLU 68 HA GLU 68 -3.719 -5.519 13.929 1219 HB2 GLU 68 2HB GLU 68 -2.301 -5.526 11.245 1220 HB3 GLU 68 1HB GLU 68 -1.533 -5.585 12.825 1221 HG2 GLU 68 2HG GLU 68 -3.161 -7.729 11.454 1222 HG3 GLU 68 1HG GLU 68 -1.483 -7.805 11.979 1223 H LEU 69 H LEU 69 -4.649 -3.494 11.222 1224 HA LEU 69 HA LEU 69 -3.350 -1.094 12.176 1225 HB2 LEU 69 2HB LEU 69 -5.605 -1.511 10.167 1226 HB3 LEU 69 1HB LEU 69 -5.017 0.085 10.608 1227 HG LEU 69 HG LEU 69 -3.413 -2.091 9.207 1228 HD11 LEU 69 1HD1 LEU 69 -4.364 0.600 8.177 1229 HD12 LEU 69 2HD1 LEU 69 -5.040 -0.973 7.745 1230 HD13 LEU 69 3HD1 LEU 69 -3.386 -0.574 7.289 1231 HD21 LEU 69 3HD2 LEU 69 -1.589 -0.484 9.051 1232 HD22 LEU 69 1HD2 LEU 69 -1.969 -0.832 10.737 1233 HD23 LEU 69 2HD2 LEU 69 -2.503 0.685 10.007 1234 H GLY 70 H GLY 70 -6.599 -2.539 12.500 1235 HA2 GLY 70 2HA GLY 70 -7.844 -0.588 14.103 1236 HA3 GLY 70 1HA GLY 70 -8.198 -2.306 14.138 1237 H ASN 71 H ASN 71 -5.601 -3.131 14.918 1238 HA ASN 71 HA ASN 71 -5.573 -2.813 17.779 1239 HB2 ASN 71 2HB ASN 71 -3.385 -3.867 15.918 1240 HB3 ASN 71 1HB ASN 71 -3.346 -3.997 17.676 1241 HD21 ASN 71 1HD2 ASN 71 -3.349 -6.099 15.615 1242 HD22 ASN 71 2HD2 ASN 71 -4.703 -7.109 15.970 1243 H LYS 72 H LYS 72 -3.274 -1.734 15.293 1244 HA LYS 72 HA LYS 72 -1.909 0.246 16.673 1245 HB2 LYS 72 2HB LYS 72 -2.616 0.203 13.710 1246 HB3 LYS 72 1HB LYS 72 -1.419 1.283 14.428 1247 HG2 LYS 72 2HG LYS 72 -0.050 -0.607 15.126 1248 HG3 LYS 72 1HG LYS 72 -1.280 -1.741 14.571 1249 HD2 LYS 72 2HD LYS 72 0.534 -1.664 12.955 1250 HD3 LYS 72 1HD LYS 72 -0.918 -0.965 12.232 1251 HE2 LYS 72 2HE LYS 72 1.161 0.320 11.720 1252 HE3 LYS 72 1HE LYS 72 -0.039 1.280 12.574 1253 HZ1 LYS 72 3HZ LYS 72 1.174 0.955 14.621 1254 HZ2 LYS 72 1HZ LYS 72 2.200 1.602 13.446 1255 HZ3 LYS 72 2HZ LYS 72 2.295 -0.039 13.841 1256 H LEU 73 H LEU 73 -5.234 0.528 15.600 1257 HA LEU 73 HA LEU 73 -5.401 3.404 15.888 1258 HB2 LEU 73 2HB LEU 73 -7.543 1.248 15.718 1259 HB3 LEU 73 1HB LEU 73 -7.933 2.950 15.922 1260 HG LEU 73 HG LEU 73 -6.488 1.724 13.540 1261 HD11 LEU 73 1HD1 LEU 73 -9.255 2.954 13.695 1262 HD12 LEU 73 2HD1 LEU 73 -8.885 1.237 13.523 1263 HD13 LEU 73 3HD1 LEU 73 -8.459 2.361 12.232 1264 HD21 LEU 73 3HD2 LEU 73 -5.573 3.936 13.977 1265 HD22 LEU 73 1HD2 LEU 73 -7.194 4.632 14.052 1266 HD23 LEU 73 2HD2 LEU 73 -6.578 3.980 12.534 1267 H GLU 74 H GLU 74 -5.608 0.692 18.034 1268 HA GLU 74 HA GLU 74 -6.522 2.201 20.350 1269 HB2 GLU 74 2HB GLU 74 -5.216 -0.559 20.166 1270 HB3 GLU 74 1HB GLU 74 -6.015 0.108 21.588 1271 HG2 GLU 74 2HG GLU 74 -8.174 0.048 20.514 1272 HG3 GLU 74 1HG GLU 74 -7.447 -0.347 18.957 1273 H HIS 75 H HIS 75 -3.620 1.946 18.644 1274 HA HIS 75 HA HIS 75 -1.806 2.544 20.893 1275 HB2 HIS 75 2HB HIS 75 -1.255 2.220 17.907 1276 HB3 HIS 75 1HB HIS 75 -0.014 2.560 19.109 1277 HD1 HIS 75 HD1 HIS 75 0.898 0.233 17.978 1278 HD2 HIS 75 HD2 HIS 75 -2.364 -0.060 20.522 1279 HE1 HIS 75 HE1 HIS 75 0.773 -2.184 18.634 1280 HE2 HIS 75 HE2 HIS 75 -1.252 -2.344 20.114 1281 H HIS 76 H HIS 76 -3.694 4.179 18.543 1282 HA HIS 76 HA HIS 76 -2.568 6.778 18.623 1283 HB2 HIS 76 2HB HIS 76 -4.356 6.128 17.037 1284 HB3 HIS 76 1HB HIS 76 -5.469 5.846 18.366 1285 HD1 HIS 76 HD1 HIS 76 -7.023 7.717 18.823 1286 HD2 HIS 76 HD2 HIS 76 -3.601 9.019 16.855 1287 HE1 HIS 76 HE1 HIS 76 -7.455 10.116 18.239 1288 HE2 HIS 76 HE2 HIS 76 -5.424 10.848 16.949 1289 H HIS 77 H HIS 77 -1.949 7.502 20.606 1290 HA HIS 77 HA HIS 77 -2.915 6.571 23.073 1291 HB2 HIS 77 2HB HIS 77 -1.230 9.053 22.554 1292 HB3 HIS 77 1HB HIS 77 -1.440 8.276 24.123 1293 HD1 HIS 77 HD1 HIS 77 0.829 8.396 21.387 1294 HD2 HIS 77 HD2 HIS 77 -0.439 5.424 23.987 1295 HE1 HIS 77 HE1 HIS 77 2.573 6.609 21.260 1296 HE2 HIS 77 HE2 HIS 77 1.673 4.740 22.671 1297 H HIS 78 H HIS 78 -3.895 9.344 21.210 1298 HA HIS 78 HA HIS 78 -5.445 10.625 23.248 1299 HB2 HIS 78 2HB HIS 78 -5.627 10.785 20.209 1300 HB3 HIS 78 1HB HIS 78 -6.549 11.808 21.304 1301 HD1 HIS 78 HD1 HIS 78 -4.182 12.555 19.142 1302 HD2 HIS 78 HD2 HIS 78 -3.997 12.665 23.296 1303 HE1 HIS 78 HE1 HIS 78 -2.400 14.228 19.691 1304 HE2 HIS 78 HE2 HIS 78 -2.169 14.128 22.192 1305 H HIS 79 H HIS 79 -6.474 8.820 24.216 1306 HA HIS 79 HA HIS 79 -8.733 7.540 22.824 1307 HB2 HIS 79 2HB HIS 79 -7.542 7.157 25.614 1308 HB3 HIS 79 1HB HIS 79 -9.024 6.366 25.092 1309 HD1 HIS 79 HD1 HIS 79 -8.673 4.055 24.265 1310 HD2 HIS 79 HD2 HIS 79 -5.281 6.387 23.743 1311 HE1 HIS 79 HE1 HIS 79 -6.923 2.506 23.346 1312 HE2 HIS 79 HE2 HIS 79 -4.879 3.942 23.040 1313 H HIS 80 H HIS 80 -10.716 8.490 22.919 1314 HA HIS 80 HA HIS 80 -11.261 10.542 24.993 1315 HB2 HIS 80 2HB HIS 80 -12.534 11.799 23.165 1316 HB3 HIS 80 1HB HIS 80 -10.782 11.781 23.017 1317 HD1 HIS 80 HD1 HIS 80 -13.890 10.412 21.396 1318 HD2 HIS 80 HD2 HIS 80 -9.796 10.569 20.688 1319 HE1 HIS 80 HE1 HIS 80 -13.586 9.653 19.025 1320 HE2 HIS 80 HE2 HIS 80 -11.095 9.615 18.670 Start of MODEL 16 1 H1 MET 1 1H MET 1 19.929 14.810 -1.564 2 H2 MET 1 2H MET 1 19.009 13.403 -1.429 3 H3 MET 1 3H MET 1 18.272 14.912 -1.249 4 HA MET 1 HA MET 1 17.769 13.974 -3.407 5 HB2 MET 1 2HB MET 1 19.694 16.338 -3.562 6 HB3 MET 1 1HB MET 1 18.560 15.883 -4.826 7 HG2 MET 1 2HG MET 1 16.680 16.389 -3.336 8 HG3 MET 1 1HG MET 1 17.804 16.797 -2.043 9 HE1 MET 1 3HE MET 1 18.204 17.669 -5.880 10 HE2 MET 1 1HE MET 1 17.469 19.271 -5.942 11 HE3 MET 1 2HE MET 1 16.467 17.857 -5.625 12 H ALA 2 H ALA 2 18.538 12.071 -4.259 13 HA ALA 2 HA ALA 2 20.945 12.141 -5.892 14 HB1 ALA 2 3HB ALA 2 21.833 11.352 -3.724 15 HB2 ALA 2 1HB ALA 2 21.906 10.074 -4.940 16 HB3 ALA 2 2HB ALA 2 20.647 10.047 -3.704 17 H ASP 3 H ASP 3 20.925 10.561 -7.554 18 HA ASP 3 HA ASP 3 18.412 9.785 -8.604 19 HB2 ASP 3 2HB ASP 3 20.357 10.258 -10.034 20 HB3 ASP 3 1HB ASP 3 21.232 8.891 -9.361 21 H LYS 4 H LYS 4 20.896 8.067 -6.843 22 HA LYS 4 HA LYS 4 19.190 5.674 -6.512 23 HB2 LYS 4 2HB LYS 4 21.497 5.189 -7.266 24 HB3 LYS 4 1HB LYS 4 22.162 6.150 -5.954 25 HG2 LYS 4 2HG LYS 4 21.099 4.479 -4.336 26 HG3 LYS 4 1HG LYS 4 20.729 3.479 -5.746 27 HD2 LYS 4 2HD LYS 4 22.824 2.728 -4.671 28 HD3 LYS 4 1HD LYS 4 23.146 3.346 -6.294 29 HE2 LYS 4 2HE LYS 4 23.926 5.483 -5.341 30 HE3 LYS 4 1HE LYS 4 23.556 4.907 -3.713 31 HZ1 LYS 4 3HZ LYS 4 25.204 3.152 -4.021 32 HZ2 LYS 4 1HZ LYS 4 25.903 4.679 -4.186 33 HZ3 LYS 4 2HZ LYS 4 25.582 3.741 -5.554 34 H LEU 5 H LEU 5 18.202 5.499 -4.525 35 HA LEU 5 HA LEU 5 18.660 7.613 -2.544 36 HB2 LEU 5 2HB LEU 5 16.448 5.516 -2.695 37 HB3 LEU 5 1HB LEU 5 16.538 6.821 -1.518 38 HG LEU 5 HG LEU 5 16.106 7.132 -4.516 39 HD11 LEU 5 1HD1 LEU 5 13.879 7.964 -3.910 40 HD12 LEU 5 2HD1 LEU 5 14.218 7.670 -2.202 41 HD13 LEU 5 3HD1 LEU 5 14.121 6.315 -3.329 42 HD21 LEU 5 3HD2 LEU 5 17.465 8.991 -3.692 43 HD22 LEU 5 1HD2 LEU 5 16.297 9.304 -2.404 44 HD23 LEU 5 2HD2 LEU 5 15.841 9.541 -4.094 45 H LYS 6 H LYS 6 18.494 6.953 -0.266 46 HA LYS 6 HA LYS 6 19.736 4.337 0.370 47 HB2 LYS 6 2HB LYS 6 19.857 6.941 1.973 48 HB3 LYS 6 1HB LYS 6 20.502 5.395 2.506 49 HG2 LYS 6 2HG LYS 6 21.485 7.008 0.137 50 HG3 LYS 6 1HG LYS 6 22.270 6.898 1.711 51 HD2 LYS 6 2HD LYS 6 21.917 4.645 -0.304 52 HD3 LYS 6 1HD LYS 6 23.423 5.462 0.103 53 HE2 LYS 6 2HE LYS 6 21.799 3.642 1.908 54 HE3 LYS 6 1HE LYS 6 23.372 3.297 1.200 55 HZ1 LYS 6 3HZ LYS 6 23.562 3.921 3.506 56 HZ2 LYS 6 1HZ LYS 6 22.807 5.402 3.210 57 HZ3 LYS 6 2HZ LYS 6 24.320 5.072 2.531 58 H PHE 7 H PHE 7 18.663 3.203 2.107 59 HA PHE 7 HA PHE 7 16.269 4.401 3.269 60 HB2 PHE 7 2HB PHE 7 14.960 2.292 2.720 61 HB3 PHE 7 1HB PHE 7 15.306 3.314 1.338 62 HD1 PHE 7 HD2 PHE 7 16.191 0.111 3.008 63 HD2 PHE 7 HD1 PHE 7 16.664 2.514 -0.504 64 HE1 PHE 7 HE2 PHE 7 17.167 -1.807 1.819 65 HE2 PHE 7 HE1 PHE 7 17.639 0.585 -1.681 66 HZ PHE 7 HZ PHE 7 17.886 -1.570 -0.521 67 H GLU 8 H GLU 8 15.792 3.558 5.289 68 HA GLU 8 HA GLU 8 17.074 1.047 6.109 69 HB2 GLU 8 2HB GLU 8 18.505 2.822 7.088 70 HB3 GLU 8 1HB GLU 8 17.093 3.584 7.818 71 HG2 GLU 8 2HG GLU 8 16.725 1.627 9.247 72 HG3 GLU 8 1HG GLU 8 18.050 0.767 8.465 73 H ILE 9 H ILE 9 15.672 -0.203 7.170 74 HA ILE 9 HA ILE 9 12.907 0.655 7.399 75 HB ILE 9 HB ILE 9 14.207 -2.057 7.935 76 HG12 ILE 9 2HG1 ILE 9 12.552 -1.026 5.580 77 HG13 ILE 9 1HG1 ILE 9 14.276 -1.363 5.551 78 HG21 ILE 9 1HG2 ILE 9 11.247 -1.349 7.849 79 HG22 ILE 9 2HG2 ILE 9 12.156 -1.799 9.295 80 HG23 ILE 9 3HG2 ILE 9 11.908 -2.979 8.005 81 HD11 ILE 9 3HD1 ILE 9 12.056 -3.377 5.851 82 HD12 ILE 9 1HD1 ILE 9 13.782 -3.749 5.907 83 HD13 ILE 9 2HD1 ILE 9 13.066 -3.096 4.437 84 H ILE 10 H ILE 10 12.475 1.819 9.054 85 HA ILE 10 HA ILE 10 14.120 2.002 11.439 86 HB ILE 10 HB ILE 10 11.605 3.530 10.609 87 HG12 ILE 10 2HG1 ILE 10 13.491 3.940 9.073 88 HG13 ILE 10 1HG1 ILE 10 13.137 5.382 10.012 89 HG21 ILE 10 1HG2 ILE 10 12.200 5.190 12.338 90 HG22 ILE 10 2HG2 ILE 10 13.532 4.167 12.875 91 HG23 ILE 10 3HG2 ILE 10 11.867 3.610 13.047 92 HD11 ILE 10 3HD1 ILE 10 15.084 4.885 11.458 93 HD12 ILE 10 1HD1 ILE 10 15.519 5.092 9.761 94 HD13 ILE 10 2HD1 ILE 10 15.441 3.475 10.455 95 H GLU 11 H GLU 11 10.960 0.828 10.421 96 HA GLU 11 HA GLU 11 10.707 -0.814 12.810 97 HB2 GLU 11 2HB GLU 11 9.645 1.342 13.502 98 HB3 GLU 11 1HB GLU 11 8.584 1.275 12.098 99 HG2 GLU 11 2HG GLU 11 7.421 0.598 14.158 100 HG3 GLU 11 1HG GLU 11 7.477 -0.711 12.979 101 H GLU 12 H GLU 12 9.459 -2.648 12.389 102 HA GLU 12 HA GLU 12 8.120 -2.860 9.746 103 HB2 GLU 12 2HB GLU 12 9.096 -5.060 11.625 104 HB3 GLU 12 1HB GLU 12 8.104 -5.360 10.200 105 HG2 GLU 12 2HG GLU 12 9.905 -4.322 8.793 106 HG3 GLU 12 1HG GLU 12 10.896 -4.189 10.240 107 H LEU 13 H LEU 13 5.973 -2.852 9.713 108 HA LEU 13 HA LEU 13 4.623 -2.396 12.302 109 HB2 LEU 13 2HB LEU 13 3.686 -1.838 9.460 110 HB3 LEU 13 1HB LEU 13 2.804 -1.410 10.913 111 HG LEU 13 HG LEU 13 5.510 -0.270 10.113 112 HD11 LEU 13 1HD1 LEU 13 3.764 0.510 8.626 113 HD12 LEU 13 2HD1 LEU 13 4.273 1.817 9.686 114 HD13 LEU 13 3HD1 LEU 13 2.749 0.978 9.993 115 HD21 LEU 13 3HD2 LEU 13 3.710 0.463 12.450 116 HD22 LEU 13 1HD2 LEU 13 5.163 1.341 11.958 117 HD23 LEU 13 2HD2 LEU 13 5.292 -0.315 12.541 118 H ILE 14 H ILE 14 3.887 -4.056 9.228 119 HA ILE 14 HA ILE 14 2.509 -6.285 10.590 120 HB ILE 14 HB ILE 14 1.192 -4.786 8.248 121 HG12 ILE 14 2HG1 ILE 14 0.270 -4.678 11.156 122 HG13 ILE 14 1HG1 ILE 14 1.133 -3.381 10.338 123 HG21 ILE 14 1HG2 ILE 14 0.640 -7.186 8.376 124 HG22 ILE 14 2HG2 ILE 14 -0.775 -6.204 8.750 125 HG23 ILE 14 3HG2 ILE 14 0.116 -6.995 10.053 126 HD11 ILE 14 3HD1 ILE 14 -1.256 -2.964 10.448 127 HD12 ILE 14 1HD1 ILE 14 -1.577 -4.442 9.543 128 HD13 ILE 14 2HD1 ILE 14 -0.707 -3.107 8.780 129 H VAL 15 H VAL 15 3.147 -8.182 9.567 130 HA VAL 15 HA VAL 15 3.969 -8.074 6.722 131 HB VAL 15 HB VAL 15 4.086 -10.511 8.575 132 HG11 VAL 15 1HG1 VAL 15 5.654 -11.420 6.901 133 HG12 VAL 15 2HG1 VAL 15 5.450 -9.977 5.905 134 HG13 VAL 15 3HG1 VAL 15 4.084 -11.062 6.177 135 HG21 VAL 15 3HG2 VAL 15 6.497 -10.050 8.858 136 HG22 VAL 15 1HG2 VAL 15 5.508 -8.746 9.516 137 HG23 VAL 15 2HG2 VAL 15 6.321 -8.538 7.963 138 H LEU 16 H LEU 16 2.586 -8.731 5.215 139 HA LEU 16 HA LEU 16 -0.164 -9.486 5.950 140 HB2 LEU 16 2HB LEU 16 0.969 -8.407 3.327 141 HB3 LEU 16 1HB LEU 16 -0.737 -8.630 3.695 142 HG LEU 16 HG LEU 16 1.101 -6.692 5.149 143 HD11 LEU 16 1HD1 LEU 16 -0.126 -4.898 3.982 144 HD12 LEU 16 2HD1 LEU 16 -0.978 -6.109 3.018 145 HD13 LEU 16 3HD1 LEU 16 0.772 -5.929 2.866 146 HD21 LEU 16 3HD2 LEU 16 -1.896 -7.066 5.341 147 HD22 LEU 16 1HD2 LEU 16 -0.952 -5.816 6.155 148 HD23 LEU 16 2HD2 LEU 16 -0.704 -7.510 6.565 149 H SER 17 H SER 17 2.658 -10.709 4.317 150 HA SER 17 HA SER 17 1.525 -13.202 3.537 151 HB2 SER 17 2HB SER 17 0.457 -11.760 1.821 152 HB3 SER 17 1HB SER 17 2.039 -11.156 1.319 153 HG SER 17 HG SER 17 0.992 -12.970 0.104 154 H GLU 18 H GLU 18 3.094 -14.565 2.481 155 HA GLU 18 HA GLU 18 5.919 -13.647 2.390 156 HB2 GLU 18 2HB GLU 18 5.514 -14.835 4.541 157 HB3 GLU 18 1HB GLU 18 4.903 -16.238 3.669 158 HG2 GLU 18 2HG GLU 18 7.171 -16.475 2.601 159 HG3 GLU 18 1HG GLU 18 7.746 -15.163 3.622 160 H ASN 19 H ASN 19 7.145 -14.586 0.706 161 HA ASN 19 HA ASN 19 5.616 -16.184 -1.315 162 HB2 ASN 19 2HB ASN 19 6.925 -14.074 -1.926 163 HB3 ASN 19 1HB ASN 19 8.400 -14.941 -1.552 164 HD21 ASN 19 1HD2 ASN 19 7.429 -13.670 -4.026 165 HD22 ASN 19 2HD2 ASN 19 7.535 -14.886 -5.254 166 H ALA 20 H ALA 20 6.692 -18.154 -2.274 167 HA ALA 20 HA ALA 20 7.828 -19.965 -0.419 168 HB1 ALA 20 3HB ALA 20 6.670 -20.675 -2.469 169 HB2 ALA 20 1HB ALA 20 8.274 -21.404 -2.374 170 HB3 ALA 20 2HB ALA 20 7.985 -20.031 -3.448 171 H LYS 21 H LYS 21 9.320 -17.866 -2.864 172 HA LYS 21 HA LYS 21 12.058 -18.380 -2.272 173 HB2 LYS 21 2HB LYS 21 10.813 -15.792 -3.306 174 HB3 LYS 21 1HB LYS 21 12.492 -16.281 -3.485 175 HG2 LYS 21 2HG LYS 21 10.089 -17.602 -4.775 176 HG3 LYS 21 1HG LYS 21 11.284 -16.581 -5.579 177 HD2 LYS 21 2HD LYS 21 13.039 -18.253 -5.099 178 HD3 LYS 21 1HD LYS 21 11.850 -19.272 -4.280 179 HE2 LYS 21 2HE LYS 21 10.598 -19.482 -6.422 180 HE3 LYS 21 1HE LYS 21 11.844 -18.517 -7.221 181 HZ1 LYS 21 3HZ LYS 21 13.466 -20.198 -6.712 182 HZ2 LYS 21 1HZ LYS 21 12.162 -20.913 -7.514 183 HZ3 LYS 21 2HZ LYS 21 12.333 -21.106 -5.844 184 H GLY 22 H GLY 22 9.616 -16.675 -0.590 185 HA2 GLY 22 2HA GLY 22 9.974 -16.325 1.787 186 HA3 GLY 22 1HA GLY 22 11.501 -15.549 1.393 187 H TRP 23 H TRP 23 10.267 -14.232 -0.988 188 HA TRP 23 HA TRP 23 10.294 -11.699 -0.070 189 HB2 TRP 23 2HB TRP 23 8.803 -12.783 -2.476 190 HB3 TRP 23 1HB TRP 23 8.901 -11.062 -2.147 191 HD1 TRP 23 HD1 TRP 23 11.474 -13.979 -2.576 192 HE1 TRP 23 HE1 TRP 23 13.418 -13.086 -3.992 193 HE3 TRP 23 HE3 TRP 23 9.924 -9.122 -3.137 194 HZ2 TRP 23 HZ2 TRP 23 14.195 -10.657 -5.202 195 HZ3 TRP 23 HZ3 TRP 23 11.323 -7.582 -4.452 196 HH2 TRP 23 HH2 TRP 23 13.420 -8.333 -5.461 197 H ARG 24 H ARG 24 9.134 -10.686 1.437 198 HA ARG 24 HA ARG 24 6.428 -11.626 2.095 199 HB2 ARG 24 2HB ARG 24 8.415 -9.884 3.627 200 HB3 ARG 24 1HB ARG 24 6.787 -10.257 4.195 201 HG2 ARG 24 2HG ARG 24 7.361 -12.660 4.246 202 HG3 ARG 24 1HG ARG 24 8.998 -12.276 3.708 203 HD2 ARG 24 2HD ARG 24 7.738 -11.263 6.277 204 HD3 ARG 24 1HD ARG 24 8.828 -12.643 6.167 205 HE ARG 24 HE ARG 24 10.492 -10.969 5.236 206 HH11 ARG 24 1HH1 ARG 24 8.035 -9.959 7.547 207 HH12 ARG 24 2HH1 ARG 24 9.003 -8.658 8.171 208 HH21 ARG 24 1HH2 ARG 24 11.760 -9.330 6.158 209 HH22 ARG 24 2HH2 ARG 24 11.083 -8.311 7.393 210 H LYS 25 H LYS 25 4.666 -10.258 1.949 211 HA LYS 25 HA LYS 25 5.085 -7.512 0.900 212 HB2 LYS 25 2HB LYS 25 2.478 -9.020 1.467 213 HB3 LYS 25 1HB LYS 25 2.607 -7.424 0.729 214 HG2 LYS 25 2HG LYS 25 3.769 -8.426 -1.209 215 HG3 LYS 25 1HG LYS 25 3.588 -10.022 -0.468 216 HD2 LYS 25 2HD LYS 25 1.103 -9.714 -0.487 217 HD3 LYS 25 1HD LYS 25 1.327 -8.171 -1.320 218 HE2 LYS 25 2HE LYS 25 2.347 -9.341 -3.222 219 HE3 LYS 25 1HE LYS 25 2.166 -10.886 -2.383 220 HZ1 LYS 25 3HZ LYS 25 -0.061 -9.093 -3.196 221 HZ2 LYS 25 1HZ LYS 25 -0.232 -10.578 -2.400 222 HZ3 LYS 25 2HZ LYS 25 0.390 -10.524 -3.972 223 H GLU 26 H GLU 26 5.707 -6.227 2.607 224 HA GLU 26 HA GLU 26 3.997 -6.368 5.028 225 HB2 GLU 26 2HB GLU 26 5.868 -5.861 6.494 226 HB3 GLU 26 1HB GLU 26 6.161 -7.352 5.627 227 HG2 GLU 26 2HG GLU 26 7.381 -4.783 4.631 228 HG3 GLU 26 1HG GLU 26 8.093 -5.619 6.007 229 H LEU 27 H LEU 27 3.356 -4.610 5.932 230 HA LEU 27 HA LEU 27 3.940 -1.942 4.897 231 HB2 LEU 27 2HB LEU 27 1.623 -2.516 5.537 232 HB3 LEU 27 1HB LEU 27 2.156 -2.985 7.143 233 HG LEU 27 HG LEU 27 2.818 -0.584 7.555 234 HD11 LEU 27 1HD1 LEU 27 1.365 -0.017 4.957 235 HD12 LEU 27 2HD1 LEU 27 3.086 0.215 5.274 236 HD13 LEU 27 3HD1 LEU 27 1.895 1.194 6.129 237 HD21 LEU 27 3HD2 LEU 27 0.553 0.182 8.017 238 HD22 LEU 27 1HD2 LEU 27 0.724 -1.526 8.414 239 HD23 LEU 27 2HD2 LEU 27 -0.109 -1.042 6.934 240 H ASN 28 H ASN 28 5.750 -1.018 5.643 241 HA ASN 28 HA ASN 28 6.635 -1.326 8.437 242 HB2 ASN 28 2HB ASN 28 8.936 -1.754 7.740 243 HB3 ASN 28 1HB ASN 28 7.893 -2.971 7.029 244 HD21 ASN 28 1HD2 ASN 28 6.986 -1.221 4.778 245 HD22 ASN 28 2HD2 ASN 28 8.343 -1.068 3.739 246 H ARG 29 H ARG 29 8.142 0.399 9.077 247 HA ARG 29 HA ARG 29 7.695 2.902 7.604 248 HB2 ARG 29 2HB ARG 29 8.671 2.462 10.464 249 HB3 ARG 29 1HB ARG 29 8.591 4.030 9.661 250 HG2 ARG 29 2HG ARG 29 6.088 3.554 9.319 251 HG3 ARG 29 1HG ARG 29 6.299 2.243 10.480 252 HD2 ARG 29 2HD ARG 29 5.481 4.220 11.617 253 HD3 ARG 29 1HD ARG 29 7.137 3.895 12.140 254 HE ARG 29 HE ARG 29 7.315 5.664 10.012 255 HH11 ARG 29 1HH1 ARG 29 5.924 5.754 13.249 256 HH12 ARG 29 2HH1 ARG 29 6.131 7.469 13.412 257 HH21 ARG 29 1HH2 ARG 29 7.577 7.902 10.250 258 HH22 ARG 29 2HH2 ARG 29 7.069 8.681 11.705 259 H VAL 30 H VAL 30 9.268 3.703 6.470 260 HA VAL 30 HA VAL 30 12.062 2.774 6.783 261 HB VAL 30 HB VAL 30 10.615 3.413 4.148 262 HG11 VAL 30 1HG1 VAL 30 13.003 3.994 4.041 263 HG12 VAL 30 2HG1 VAL 30 12.656 2.594 3.026 264 HG13 VAL 30 3HG1 VAL 30 13.441 2.374 4.593 265 HG21 VAL 30 3HG2 VAL 30 9.836 1.265 5.065 266 HG22 VAL 30 1HG2 VAL 30 11.503 0.703 5.214 267 HG23 VAL 30 2HG2 VAL 30 10.811 1.005 3.617 268 H SER 31 H SER 31 13.629 4.360 6.526 269 HA SER 31 HA SER 31 12.786 7.187 6.223 270 HB2 SER 31 2HB SER 31 13.861 6.749 8.417 271 HB3 SER 31 1HB SER 31 15.270 6.059 7.611 272 HG SER 31 HG SER 31 14.582 8.687 8.019 273 H TRP 32 H TRP 32 13.449 8.103 4.380 274 HA TRP 32 HA TRP 32 15.353 6.663 2.633 275 HB2 TRP 32 2HB TRP 32 13.150 8.671 1.953 276 HB3 TRP 32 1HB TRP 32 14.282 8.008 0.779 277 HD1 TRP 32 HD1 TRP 32 11.088 7.096 2.707 278 HE1 TRP 32 HE1 TRP 32 10.146 4.900 1.730 279 HE3 TRP 32 HE3 TRP 32 15.040 5.733 -0.272 280 HZ2 TRP 32 HZ2 TRP 32 10.990 2.832 0.021 281 HZ3 TRP 32 HZ3 TRP 32 14.888 3.631 -1.544 282 HH2 TRP 32 HH2 TRP 32 12.902 2.208 -1.402 283 H ASN 33 H ASN 33 17.290 7.485 2.636 284 HA ASN 33 HA ASN 33 19.119 8.841 2.728 285 HB2 ASN 33 2HB ASN 33 17.136 10.993 1.837 286 HB3 ASN 33 1HB ASN 33 18.884 11.215 1.870 287 HD21 ASN 33 1HD2 ASN 33 17.039 11.354 -0.387 288 HD22 ASN 33 2HD2 ASN 33 17.634 10.212 -1.536 289 H ASP 34 H ASP 34 17.805 8.311 5.137 290 HA ASP 34 HA ASP 34 17.571 8.859 7.299 291 HB2 ASP 34 2HB ASP 34 19.876 10.743 6.646 292 HB3 ASP 34 1HB ASP 34 19.367 10.313 8.276 293 H ALA 35 H ALA 35 15.794 10.269 5.560 294 HA ALA 35 HA ALA 35 15.472 12.977 6.700 295 HB1 ALA 35 3HB ALA 35 15.290 12.717 4.255 296 HB2 ALA 35 1HB ALA 35 13.753 13.245 4.941 297 HB3 ALA 35 2HB ALA 35 13.972 11.561 4.455 298 H GLU 36 H GLU 36 12.713 13.240 6.722 299 HA GLU 36 HA GLU 36 11.709 12.080 9.033 300 HB2 GLU 36 2HB GLU 36 10.233 13.111 6.592 301 HB3 GLU 36 1HB GLU 36 9.377 12.562 8.026 302 HG2 GLU 36 2HG GLU 36 11.400 14.818 7.964 303 HG3 GLU 36 1HG GLU 36 9.648 15.017 7.942 304 HA PRO 37 HA PRO 37 11.182 7.778 7.577 305 HB2 PRO 37 2HB PRO 37 10.364 6.715 9.985 306 HB3 PRO 37 1HB PRO 37 12.070 7.025 9.606 307 HG2 PRO 37 2HG PRO 37 10.172 8.700 11.212 308 HG3 PRO 37 1HG PRO 37 11.867 8.281 11.553 309 HD2 PRO 37 2HD PRO 37 11.179 10.681 10.498 310 HD3 PRO 37 1HD PRO 37 12.706 9.875 10.075 311 H LYS 38 H LYS 38 9.359 6.806 6.820 312 HA LYS 38 HA LYS 38 6.717 7.803 7.581 313 HB2 LYS 38 2HB LYS 38 6.131 8.178 5.195 314 HB3 LYS 38 1HB LYS 38 7.399 9.271 5.733 315 HG2 LYS 38 2HG LYS 38 9.092 8.049 4.525 316 HG3 LYS 38 1HG LYS 38 7.978 6.720 4.183 317 HD2 LYS 38 2HD LYS 38 8.307 8.150 2.191 318 HD3 LYS 38 1HD LYS 38 6.630 8.188 2.738 319 HE2 LYS 38 2HE LYS 38 7.087 10.362 3.870 320 HE3 LYS 38 1HE LYS 38 8.730 10.326 3.227 321 HZ1 LYS 38 3HZ LYS 38 6.231 10.402 1.617 322 HZ2 LYS 38 1HZ LYS 38 7.793 10.324 0.987 323 HZ3 LYS 38 2HZ LYS 38 7.303 11.687 1.853 324 H TYR 39 H TYR 39 5.094 6.525 6.197 325 HA TYR 39 HA TYR 39 5.601 3.732 6.712 326 HB2 TYR 39 2HB TYR 39 3.109 5.108 5.600 327 HB3 TYR 39 1HB TYR 39 3.197 3.482 6.296 328 HD1 TYR 39 HD1 TYR 39 3.220 7.103 7.070 329 HD2 TYR 39 HD2 TYR 39 3.433 3.189 8.752 330 HE1 TYR 39 HE1 TYR 39 2.969 8.039 9.313 331 HE2 TYR 39 HE2 TYR 39 3.157 4.144 11.001 332 HH TYR 39 HH TYR 39 2.213 7.346 11.546 333 H ASP 40 H ASP 40 5.716 2.192 5.242 334 HA ASP 40 HA ASP 40 5.443 2.715 2.346 335 HB2 ASP 40 2HB ASP 40 7.918 2.803 3.168 336 HB3 ASP 40 1HB ASP 40 7.778 1.079 3.477 337 H ILE 41 H ILE 41 4.623 1.006 1.259 338 HA ILE 41 HA ILE 41 4.126 -1.531 2.660 339 HB ILE 41 HB ILE 41 2.039 -0.406 3.036 340 HG12 ILE 41 2HG1 ILE 41 1.666 -2.316 0.687 341 HG13 ILE 41 1HG1 ILE 41 1.911 -2.806 2.359 342 HG21 ILE 41 1HG2 ILE 41 0.622 0.573 1.283 343 HG22 ILE 41 2HG2 ILE 41 1.875 0.241 0.087 344 HG23 ILE 41 3HG2 ILE 41 2.185 1.391 1.387 345 HD11 ILE 41 3HD1 ILE 41 -0.404 -2.992 1.766 346 HD12 ILE 41 1HD1 ILE 41 -0.462 -1.303 1.263 347 HD13 ILE 41 2HD1 ILE 41 -0.213 -1.711 2.964 348 H ARG 42 H ARG 42 4.909 -3.027 1.488 349 HA ARG 42 HA ARG 42 4.983 -3.113 -1.396 350 HB2 ARG 42 2HB ARG 42 7.308 -2.602 -1.807 351 HB3 ARG 42 1HB ARG 42 6.642 -1.257 -0.892 352 HG2 ARG 42 2HG ARG 42 7.661 -2.294 1.189 353 HG3 ARG 42 1HG ARG 42 8.464 -3.452 0.125 354 HD2 ARG 42 2HD ARG 42 8.817 -0.448 0.155 355 HD3 ARG 42 1HD ARG 42 9.998 -1.662 0.638 356 HE ARG 42 HE ARG 42 9.639 -2.347 -1.902 357 HH11 ARG 42 1HH1 ARG 42 10.080 0.848 -0.500 358 HH12 ARG 42 2HH1 ARG 42 10.836 1.498 -1.922 359 HH21 ARG 42 1HH2 ARG 42 10.595 -1.452 -3.793 360 HH22 ARG 42 2HH2 ARG 42 11.126 0.198 -3.780 361 H THR 43 H THR 43 6.897 -4.767 -2.062 362 HA THR 43 HA THR 43 6.901 -6.961 -0.130 363 HB THR 43 HB THR 43 7.426 -7.009 -3.140 364 HG1 THR 43 HG1 THR 43 5.083 -7.129 -1.639 365 HG21 THR 43 3HG2 THR 43 6.915 -9.283 -1.185 366 HG22 THR 43 1HG2 THR 43 8.463 -8.917 -1.953 367 HG23 THR 43 2HG2 THR 43 7.095 -9.450 -2.931 368 H TRP 44 H TRP 44 8.794 -7.385 0.826 369 HA TRP 44 HA TRP 44 11.377 -6.511 -0.386 370 HB2 TRP 44 2HB TRP 44 10.621 -7.000 2.531 371 HB3 TRP 44 1HB TRP 44 12.282 -6.828 1.992 372 HD1 TRP 44 HD1 TRP 44 9.269 -4.782 2.999 373 HE1 TRP 44 HE1 TRP 44 9.907 -2.317 3.082 374 HE3 TRP 44 HE3 TRP 44 13.812 -5.067 0.701 375 HZ2 TRP 44 HZ2 TRP 44 12.039 -0.669 2.252 376 HZ3 TRP 44 HZ3 TRP 44 15.089 -2.993 0.377 377 HH2 TRP 44 HH2 TRP 44 14.220 -0.836 1.136 378 H SER 45 H SER 45 13.147 -8.028 0.075 379 HA SER 45 HA SER 45 12.445 -10.840 -0.163 380 HB2 SER 45 2HB SER 45 14.905 -11.171 -0.336 381 HB3 SER 45 1HB SER 45 14.349 -9.913 -1.433 382 HG SER 45 HG SER 45 16.316 -9.551 -0.057 383 HA PRO 46 HA PRO 46 12.995 -12.032 4.211 384 HB2 PRO 46 2HB PRO 46 14.715 -14.226 4.034 385 HB3 PRO 46 1HB PRO 46 12.968 -14.293 3.733 386 HG2 PRO 46 2HG PRO 46 15.202 -14.044 1.744 387 HG3 PRO 46 1HG PRO 46 13.758 -15.084 1.691 388 HD2 PRO 46 2HD PRO 46 13.836 -12.823 0.268 389 HD3 PRO 46 1HD PRO 46 12.338 -13.310 1.095 390 H ASP 47 H ASP 47 15.660 -11.055 2.272 391 HA ASP 47 HA ASP 47 17.492 -10.744 4.575 392 HB2 ASP 47 2HB ASP 47 17.975 -10.555 1.565 393 HB3 ASP 47 1HB ASP 47 19.217 -10.313 2.787 394 H HIS 48 H HIS 48 15.217 -8.959 2.835 395 HA HIS 48 HA HIS 48 14.707 -6.796 2.465 396 HB2 HIS 48 2HB HIS 48 16.401 -6.476 4.958 397 HB3 HIS 48 1HB HIS 48 15.646 -5.084 4.193 398 HD1 HIS 48 HD1 HIS 48 14.874 -5.829 7.059 399 HD2 HIS 48 HD2 HIS 48 12.835 -7.163 3.698 400 HE1 HIS 48 HE1 HIS 48 12.524 -6.270 7.819 401 HE2 HIS 48 HE2 HIS 48 11.261 -6.845 5.715 402 H GLU 49 H GLU 49 17.303 -7.895 1.237 403 HA GLU 49 HA GLU 49 18.757 -5.398 0.622 404 HB2 GLU 49 2HB GLU 49 20.445 -6.802 -0.431 405 HB3 GLU 49 1HB GLU 49 20.071 -7.470 1.155 406 HG2 GLU 49 2HG GLU 49 18.653 -9.194 0.115 407 HG3 GLU 49 1HG GLU 49 18.982 -8.515 -1.476 408 H LYS 50 H LYS 50 16.289 -7.400 -0.569 409 HA LYS 50 HA LYS 50 16.365 -6.200 -3.270 410 HB2 LYS 50 2HB LYS 50 15.461 -8.984 -2.430 411 HB3 LYS 50 1HB LYS 50 15.158 -8.311 -4.013 412 HG2 LYS 50 2HG LYS 50 18.026 -8.329 -3.228 413 HG3 LYS 50 1HG LYS 50 17.290 -9.923 -3.354 414 HD2 LYS 50 2HD LYS 50 18.345 -9.286 -5.476 415 HD3 LYS 50 1HD LYS 50 16.600 -9.447 -5.670 416 HE2 LYS 50 2HE LYS 50 16.364 -6.995 -5.565 417 HE3 LYS 50 1HE LYS 50 18.109 -6.829 -5.361 418 HZ1 LYS 50 3HZ LYS 50 17.387 -6.463 -7.653 419 HZ2 LYS 50 1HZ LYS 50 16.782 -8.037 -7.731 420 HZ3 LYS 50 2HZ LYS 50 18.443 -7.772 -7.540 421 H MET 51 H MET 51 14.331 -5.658 -4.122 422 HA MET 51 HA MET 51 11.946 -5.610 -2.471 423 HB2 MET 51 2HB MET 51 11.783 -3.110 -2.489 424 HB3 MET 51 1HB MET 51 13.122 -3.696 -1.517 425 HG2 MET 51 2HG MET 51 14.693 -3.140 -3.339 426 HG3 MET 51 1HG MET 51 13.343 -2.546 -4.310 427 HE1 MET 51 3HE MET 51 15.370 0.691 -3.211 428 HE2 MET 51 1HE MET 51 14.818 -0.259 -4.591 429 HE3 MET 51 2HE MET 51 16.057 -0.905 -3.511 430 H GLY 52 H GLY 52 10.187 -4.345 -3.653 431 HA2 GLY 52 2HA GLY 52 10.582 -3.921 -6.517 432 HA3 GLY 52 1HA GLY 52 9.522 -5.259 -6.074 433 H LYS 53 H LYS 53 7.657 -4.407 -6.845 434 HA LYS 53 HA LYS 53 6.879 -1.744 -6.840 435 HB2 LYS 53 2HB LYS 53 5.219 -4.282 -7.079 436 HB3 LYS 53 1HB LYS 53 4.570 -2.672 -7.361 437 HG2 LYS 53 2HG LYS 53 6.807 -3.980 -8.937 438 HG3 LYS 53 1HG LYS 53 5.137 -3.762 -9.472 439 HD2 LYS 53 2HD LYS 53 5.442 -1.287 -9.336 440 HD3 LYS 53 1HD LYS 53 7.126 -1.532 -8.865 441 HE2 LYS 53 2HE LYS 53 5.875 -2.376 -11.499 442 HE3 LYS 53 1HE LYS 53 6.937 -0.989 -11.252 443 HZ1 LYS 53 3HZ LYS 53 8.698 -2.518 -10.588 444 HZ2 LYS 53 1HZ LYS 53 8.148 -2.863 -12.149 445 HZ3 LYS 53 2HZ LYS 53 7.677 -3.838 -10.854 446 H GLY 54 H GLY 54 6.091 -0.431 -5.378 447 HA2 GLY 54 2HA GLY 54 4.227 -1.103 -3.345 448 HA3 GLY 54 1HA GLY 54 5.844 -0.869 -2.680 449 H ILE 55 H ILE 55 4.321 0.870 -1.641 450 HA ILE 55 HA ILE 55 4.712 3.416 -3.055 451 HB ILE 55 HB ILE 55 2.504 2.819 -3.812 452 HG12 ILE 55 2HG1 ILE 55 2.199 4.767 -1.477 453 HG13 ILE 55 1HG1 ILE 55 2.657 5.183 -3.124 454 HG21 ILE 55 1HG2 ILE 55 0.662 2.098 -2.366 455 HG22 ILE 55 2HG2 ILE 55 1.713 2.204 -0.953 456 HG23 ILE 55 3HG2 ILE 55 2.047 1.012 -2.209 457 HD11 ILE 55 3HD1 ILE 55 0.354 5.765 -2.690 458 HD12 ILE 55 1HD1 ILE 55 -0.021 4.100 -2.246 459 HD13 ILE 55 2HD1 ILE 55 0.435 4.492 -3.906 460 H THR 56 H THR 56 4.933 5.139 -1.711 461 HA THR 56 HA THR 56 5.328 4.628 1.167 462 HB THR 56 HB THR 56 6.554 6.871 1.097 463 HG1 THR 56 HG1 THR 56 5.564 7.591 -0.896 464 HG21 THR 56 3HG2 THR 56 7.665 4.708 -0.729 465 HG22 THR 56 1HG2 THR 56 7.808 4.742 1.030 466 HG23 THR 56 2HG2 THR 56 8.599 5.983 0.058 467 H LEU 57 H LEU 57 4.290 5.822 2.710 468 HA LEU 57 HA LEU 57 2.207 7.769 1.988 469 HB2 LEU 57 2HB LEU 57 1.990 5.548 4.077 470 HB3 LEU 57 1HB LEU 57 0.773 6.775 3.766 471 HG LEU 57 HG LEU 57 1.590 4.555 1.851 472 HD11 LEU 57 1HD1 LEU 57 -0.668 3.647 2.268 473 HD12 LEU 57 2HD1 LEU 57 -0.958 4.903 3.472 474 HD13 LEU 57 3HD1 LEU 57 0.300 3.691 3.743 475 HD21 LEU 57 3HD2 LEU 57 -0.521 6.710 1.515 476 HD22 LEU 57 1HD2 LEU 57 -0.281 5.331 0.435 477 HD23 LEU 57 2HD2 LEU 57 0.979 6.552 0.596 478 H SER 58 H SER 58 2.039 9.464 3.454 479 HA SER 58 HA SER 58 4.140 9.794 5.482 480 HB2 SER 58 2HB SER 58 2.079 11.748 4.364 481 HB3 SER 58 1HB SER 58 3.366 12.163 5.499 482 HG SER 58 HG SER 58 4.364 12.596 3.681 483 H GLU 59 H GLU 59 3.337 10.935 7.595 484 HA GLU 59 HA GLU 59 1.691 9.187 8.990 485 HB2 GLU 59 2HB GLU 59 2.524 12.021 9.734 486 HB3 GLU 59 1HB GLU 59 1.807 10.854 10.848 487 HG2 GLU 59 2HG GLU 59 3.712 9.319 10.474 488 HG3 GLU 59 1HG GLU 59 4.436 10.493 9.379 489 H GLU 60 H GLU 60 0.867 12.346 7.607 490 HA GLU 60 HA GLU 60 -1.803 12.554 8.523 491 HB2 GLU 60 2HB GLU 60 -0.498 13.649 5.996 492 HB3 GLU 60 1HB GLU 60 -2.136 14.060 6.496 493 HG2 GLU 60 2HG GLU 60 -1.194 14.988 8.627 494 HG3 GLU 60 1HG GLU 60 0.423 14.683 7.995 495 H GLU 61 H GLU 61 -0.488 11.162 5.536 496 HA GLU 61 HA GLU 61 -2.956 10.605 4.250 497 HB2 GLU 61 2HB GLU 61 -0.220 9.327 3.795 498 HB3 GLU 61 1HB GLU 61 -1.567 9.329 2.655 499 HG2 GLU 61 2HG GLU 61 -1.420 11.727 2.389 500 HG3 GLU 61 1HG GLU 61 -0.191 11.837 3.650 501 H PHE 62 H PHE 62 -0.627 8.477 5.891 502 HA PHE 62 HA PHE 62 -2.069 6.079 5.803 503 HB2 PHE 62 2HB PHE 62 0.351 6.215 6.259 504 HB3 PHE 62 1HB PHE 62 0.046 7.038 7.784 505 HD1 PHE 62 HD2 PHE 62 -0.574 3.824 5.970 506 HD2 PHE 62 HD1 PHE 62 -0.227 5.757 9.773 507 HE1 PHE 62 HE2 PHE 62 -0.648 1.645 7.099 508 HE2 PHE 62 HE1 PHE 62 -0.305 3.571 10.889 509 HZ PHE 62 HZ PHE 62 -0.511 1.516 9.554 510 H GLY 63 H GLY 63 -2.017 8.720 8.216 511 HA2 GLY 63 2HA GLY 63 -3.731 7.666 10.144 512 HA3 GLY 63 1HA GLY 63 -3.585 9.373 9.748 513 H VAL 64 H VAL 64 -4.560 9.563 7.223 514 HA VAL 64 HA VAL 64 -7.353 9.493 7.426 515 HB VAL 64 HB VAL 64 -5.586 9.665 4.937 516 HG11 VAL 64 1HG1 VAL 64 -7.820 8.921 4.248 517 HG12 VAL 64 2HG1 VAL 64 -7.544 10.583 3.734 518 HG13 VAL 64 3HG1 VAL 64 -8.566 10.256 5.135 519 HG21 VAL 64 3HG2 VAL 64 -6.993 11.869 6.502 520 HG22 VAL 64 1HG2 VAL 64 -6.021 12.094 5.045 521 HG23 VAL 64 2HG2 VAL 64 -5.264 11.523 6.531 522 H LEU 65 H LEU 65 -5.043 7.129 6.030 523 HA LEU 65 HA LEU 65 -6.869 5.332 4.899 524 HB2 LEU 65 2HB LEU 65 -4.350 5.323 4.603 525 HB3 LEU 65 1HB LEU 65 -4.211 4.642 6.211 526 HG LEU 65 HG LEU 65 -5.586 2.642 5.369 527 HD11 LEU 65 1HD1 LEU 65 -5.700 2.259 2.961 528 HD12 LEU 65 2HD1 LEU 65 -5.036 3.865 2.650 529 HD13 LEU 65 3HD1 LEU 65 -6.615 3.693 3.419 530 HD21 LEU 65 3HD2 LEU 65 -2.904 3.143 4.025 531 HD22 LEU 65 1HD2 LEU 65 -3.669 1.570 4.272 532 HD23 LEU 65 2HD2 LEU 65 -3.144 2.519 5.660 533 H LEU 66 H LEU 66 -5.387 5.332 8.201 534 HA LEU 66 HA LEU 66 -6.609 3.080 9.296 535 HB2 LEU 66 2HB LEU 66 -5.828 5.684 10.677 536 HB3 LEU 66 1HB LEU 66 -6.194 4.188 11.520 537 HG LEU 66 HG LEU 66 -3.852 4.612 9.627 538 HD11 LEU 66 1HD1 LEU 66 -3.564 5.842 11.726 539 HD12 LEU 66 2HD1 LEU 66 -2.433 4.497 11.619 540 HD13 LEU 66 3HD1 LEU 66 -3.861 4.369 12.653 541 HD21 LEU 66 3HD2 LEU 66 -3.074 2.409 10.376 542 HD22 LEU 66 1HD2 LEU 66 -4.627 2.303 9.549 543 HD23 LEU 66 2HD2 LEU 66 -4.559 2.192 11.310 544 H LYS 67 H LYS 67 -7.706 6.445 9.267 545 HA LYS 67 HA LYS 67 -10.010 6.296 10.879 546 HB2 LYS 67 2HB LYS 67 -9.244 8.151 8.584 547 HB3 LYS 67 1HB LYS 67 -10.675 8.409 9.574 548 HG2 LYS 67 2HG LYS 67 -9.405 8.932 11.498 549 HG3 LYS 67 1HG LYS 67 -7.932 8.228 10.829 550 HD2 LYS 67 2HD LYS 67 -7.939 10.746 10.873 551 HD3 LYS 67 1HD LYS 67 -7.661 10.048 9.278 552 HE2 LYS 67 2HE LYS 67 -9.171 11.988 9.169 553 HE3 LYS 67 1HE LYS 67 -9.994 10.517 8.653 554 HZ1 LYS 67 3HZ LYS 67 -11.037 10.382 10.828 555 HZ2 LYS 67 1HZ LYS 67 -11.373 11.877 10.110 556 HZ3 LYS 67 2HZ LYS 67 -10.217 11.768 11.338 557 H GLU 68 H GLU 68 -9.745 6.376 7.337 558 HA GLU 68 HA GLU 68 -12.521 6.019 6.906 559 HB2 GLU 68 2HB GLU 68 -10.200 5.810 4.955 560 HB3 GLU 68 1HB GLU 68 -11.897 5.877 4.506 561 HG2 GLU 68 2HG GLU 68 -10.385 8.065 5.950 562 HG3 GLU 68 1HG GLU 68 -10.738 8.046 4.225 563 H LEU 69 H LEU 69 -9.772 3.757 6.999 564 HA LEU 69 HA LEU 69 -11.169 1.446 6.106 565 HB2 LEU 69 2HB LEU 69 -8.755 1.708 7.950 566 HB3 LEU 69 1HB LEU 69 -9.426 0.150 7.495 567 HG LEU 69 HG LEU 69 -8.197 2.173 5.583 568 HD11 LEU 69 1HD1 LEU 69 -6.398 0.525 5.313 569 HD12 LEU 69 2HD1 LEU 69 -7.148 -0.509 6.533 570 HD13 LEU 69 3HD1 LEU 69 -6.520 1.077 6.982 571 HD21 LEU 69 3HD2 LEU 69 -8.417 0.456 3.871 572 HD22 LEU 69 1HD2 LEU 69 -9.996 0.931 4.492 573 HD23 LEU 69 2HD2 LEU 69 -9.273 -0.598 4.999 574 H GLY 70 H GLY 70 -10.670 2.877 9.335 575 HA2 GLY 70 2HA GLY 70 -12.012 0.997 10.931 576 HA3 GLY 70 1HA GLY 70 -11.855 2.706 11.295 577 H ASN 71 H ASN 71 -13.234 3.621 8.977 578 HA ASN 71 HA ASN 71 -16.020 3.412 9.698 579 HB2 ASN 71 2HB ASN 71 -14.823 4.423 7.073 580 HB3 ASN 71 1HB ASN 71 -16.456 4.740 7.652 581 HD21 ASN 71 1HD2 ASN 71 -14.375 6.636 6.938 582 HD22 ASN 71 2HD2 ASN 71 -14.071 7.596 8.342 583 H LYS 72 H LYS 72 -14.317 2.377 6.764 584 HA LYS 72 HA LYS 72 -16.099 0.591 5.650 585 HB2 LYS 72 2HB LYS 72 -13.063 0.347 5.510 586 HB3 LYS 72 1HB LYS 72 -14.203 -0.367 4.373 587 HG2 LYS 72 2HG LYS 72 -14.943 1.909 3.701 588 HG3 LYS 72 1HG LYS 72 -13.781 2.599 4.818 589 HD2 LYS 72 2HD LYS 72 -12.475 2.720 2.926 590 HD3 LYS 72 1HD LYS 72 -12.076 1.062 3.371 591 HE2 LYS 72 2HE LYS 72 -14.098 1.977 1.304 592 HE3 LYS 72 1HE LYS 72 -12.573 1.144 1.020 593 HZ1 LYS 72 3HZ LYS 72 -13.475 -0.796 2.157 594 HZ2 LYS 72 1HZ LYS 72 -14.422 -0.358 0.826 595 HZ3 LYS 72 2HZ LYS 72 -14.944 0.009 2.388 596 H LEU 73 H LEU 73 -14.442 -0.020 8.625 597 HA LEU 73 HA LEU 73 -14.409 -2.901 8.456 598 HB2 LEU 73 2HB LEU 73 -14.035 -1.012 10.816 599 HB3 LEU 73 1HB LEU 73 -13.973 -2.762 10.980 600 HG LEU 73 HG LEU 73 -12.046 -1.032 9.378 601 HD11 LEU 73 1HD1 LEU 73 -11.569 -2.696 11.859 602 HD12 LEU 73 2HD1 LEU 73 -11.622 -0.932 11.774 603 HD13 LEU 73 3HD1 LEU 73 -10.335 -1.816 10.950 604 HD21 LEU 73 3HD2 LEU 73 -12.425 -3.121 8.178 605 HD22 LEU 73 1HD2 LEU 73 -12.062 -4.046 9.639 606 HD23 LEU 73 2HD2 LEU 73 -10.806 -3.077 8.864 607 H GLU 74 H GLU 74 -16.930 -0.796 8.696 608 HA GLU 74 HA GLU 74 -18.707 -2.417 10.376 609 HB2 GLU 74 2HB GLU 74 -19.405 -0.084 8.530 610 HB3 GLU 74 1HB GLU 74 -20.499 -0.868 9.667 611 HG2 GLU 74 2HG GLU 74 -18.791 -0.175 11.496 612 HG3 GLU 74 1HG GLU 74 -18.130 0.904 10.268 613 H HIS 75 H HIS 75 -17.786 -2.067 7.050 614 HA HIS 75 HA HIS 75 -19.643 -4.086 6.046 615 HB2 HIS 75 2HB HIS 75 -17.271 -2.636 4.807 616 HB3 HIS 75 1HB HIS 75 -18.132 -3.927 3.968 617 HD1 HIS 75 HD1 HIS 75 -20.525 -3.413 3.114 618 HD2 HIS 75 HD2 HIS 75 -18.659 -0.176 4.948 619 HE1 HIS 75 HE1 HIS 75 -21.964 -1.423 2.597 620 HE2 HIS 75 HE2 HIS 75 -20.817 0.524 3.699 621 H HIS 76 H HIS 76 -18.130 -5.813 4.566 622 HA HIS 76 HA HIS 76 -17.555 -7.984 4.838 623 HB2 HIS 76 2HB HIS 76 -15.700 -6.984 7.048 624 HB3 HIS 76 1HB HIS 76 -15.622 -8.570 6.286 625 HD1 HIS 76 HD1 HIS 76 -14.456 -5.103 5.927 626 HD2 HIS 76 HD2 HIS 76 -14.737 -8.473 3.515 627 HE1 HIS 76 HE1 HIS 76 -12.990 -4.633 3.944 628 HE2 HIS 76 HE2 HIS 76 -12.997 -6.783 2.634 629 H HIS 77 H HIS 77 -19.858 -7.429 5.697 630 HA HIS 77 HA HIS 77 -20.306 -7.806 8.568 631 HB2 HIS 77 2HB HIS 77 -21.208 -5.851 7.155 632 HB3 HIS 77 1HB HIS 77 -22.260 -7.002 6.350 633 HD1 HIS 77 HD1 HIS 77 -22.051 -4.771 9.239 634 HD2 HIS 77 HD2 HIS 77 -24.336 -8.071 8.150 635 HE1 HIS 77 HE1 HIS 77 -24.092 -4.703 10.698 636 HE2 HIS 77 HE2 HIS 77 -25.493 -6.654 9.972 637 H HIS 78 H HIS 78 -19.478 -10.131 7.162 638 HA HIS 78 HA HIS 78 -21.834 -11.906 7.365 639 HB2 HIS 78 2HB HIS 78 -21.441 -11.467 4.958 640 HB3 HIS 78 1HB HIS 78 -19.756 -11.945 5.121 641 HD1 HIS 78 HD1 HIS 78 -19.241 -14.418 4.908 642 HD2 HIS 78 HD2 HIS 78 -23.312 -13.658 5.207 643 HE1 HIS 78 HE1 HIS 78 -20.374 -16.592 4.372 644 HE2 HIS 78 HE2 HIS 78 -22.829 -16.113 4.593 645 H HIS 79 H HIS 79 -21.391 -13.402 8.833 646 HA HIS 79 HA HIS 79 -18.962 -13.587 10.216 647 HB2 HIS 79 2HB HIS 79 -19.992 -15.350 11.534 648 HB3 HIS 79 1HB HIS 79 -21.208 -14.126 11.199 649 HD1 HIS 79 HD1 HIS 79 -20.657 -17.692 11.063 650 HD2 HIS 79 HD2 HIS 79 -23.021 -14.978 8.981 651 HE1 HIS 79 HE1 HIS 79 -22.447 -19.061 9.962 652 HE2 HIS 79 HE2 HIS 79 -23.774 -17.418 8.603 653 H HIS 80 H HIS 80 -17.353 -15.109 10.289 654 HA HIS 80 HA HIS 80 -17.214 -17.171 8.158 655 HB2 HIS 80 2HB HIS 80 -14.785 -16.735 7.945 656 HB3 HIS 80 1HB HIS 80 -15.731 -15.289 7.595 657 HD1 HIS 80 HD1 HIS 80 -13.161 -16.648 9.906 658 HD2 HIS 80 HD2 HIS 80 -15.476 -13.211 9.547 659 HE1 HIS 80 HE1 HIS 80 -12.169 -14.990 11.507 660 HE2 HIS 80 HE2 HIS 80 -13.533 -12.904 11.218 661 H1 MET 1 1H MET 1 -2.274 -16.454 -18.559 662 H2 MET 1 2H MET 1 -0.667 -16.306 -19.061 663 H3 MET 1 3H MET 1 -1.915 -16.211 -20.191 664 HA MET 1 HA MET 1 -2.727 -14.197 -19.224 665 HB2 MET 1 2HB MET 1 -0.336 -14.481 -17.344 666 HB3 MET 1 1HB MET 1 -1.310 -13.022 -17.488 667 HG2 MET 1 2HG MET 1 -2.019 -14.214 -15.533 668 HG3 MET 1 1HG MET 1 -3.296 -14.337 -16.740 669 HE1 MET 1 3HE MET 1 0.122 -16.358 -16.428 670 HE2 MET 1 1HE MET 1 -0.450 -17.808 -15.602 671 HE3 MET 1 2HE MET 1 -0.480 -16.252 -14.773 672 H ALA 2 H ALA 2 -2.001 -12.206 -20.059 673 HA ALA 2 HA ALA 2 0.138 -12.259 -22.008 674 HB1 ALA 2 3HB ALA 2 -1.998 -11.124 -22.491 675 HB2 ALA 2 1HB ALA 2 -0.665 -9.966 -22.529 676 HB3 ALA 2 2HB ALA 2 -1.744 -10.027 -21.133 677 H ASP 3 H ASP 3 2.023 -10.922 -21.939 678 HA ASP 3 HA ASP 3 3.280 -10.576 -19.400 679 HB2 ASP 3 2HB ASP 3 4.576 -11.051 -21.447 680 HB3 ASP 3 1HB ASP 3 4.089 -9.512 -22.146 681 H LYS 4 H LYS 4 1.511 -8.523 -21.548 682 HA LYS 4 HA LYS 4 1.874 -6.126 -19.869 683 HB2 LYS 4 2HB LYS 4 2.035 -5.774 -22.324 684 HB3 LYS 4 1HB LYS 4 0.428 -6.463 -22.543 685 HG2 LYS 4 2HG LYS 4 -0.540 -4.594 -21.202 686 HG3 LYS 4 1HG LYS 4 1.077 -3.899 -21.032 687 HD2 LYS 4 2HD LYS 4 -0.129 -2.744 -22.822 688 HD3 LYS 4 1HD LYS 4 1.215 -3.657 -23.512 689 HE2 LYS 4 2HE LYS 4 -0.393 -5.475 -24.128 690 HE3 LYS 4 1HE LYS 4 -1.714 -4.473 -23.522 691 HZ1 LYS 4 3HZ LYS 4 -1.044 -2.767 -25.150 692 HZ2 LYS 4 1HZ LYS 4 -1.545 -4.208 -25.875 693 HZ3 LYS 4 2HZ LYS 4 0.098 -3.832 -25.786 694 H LEU 5 H LEU 5 0.280 -5.638 -18.405 695 HA LEU 5 HA LEU 5 -1.820 -7.647 -18.059 696 HB2 LEU 5 2HB LEU 5 -0.984 -5.398 -16.178 697 HB3 LEU 5 1HB LEU 5 -2.108 -6.699 -15.802 698 HG LEU 5 HG LEU 5 0.893 -6.977 -16.264 699 HD11 LEU 5 1HD1 LEU 5 -0.769 -7.374 -13.754 700 HD12 LEU 5 2HD1 LEU 5 0.315 -6.020 -14.084 701 HD13 LEU 5 3HD1 LEU 5 0.972 -7.643 -13.899 702 HD21 LEU 5 3HD2 LEU 5 -0.208 -8.950 -17.191 703 HD22 LEU 5 1HD2 LEU 5 -1.135 -9.172 -15.704 704 HD23 LEU 5 2HD2 LEU 5 0.619 -9.370 -15.695 705 H LYS 6 H LYS 6 -3.937 -6.943 -17.410 706 HA LYS 6 HA LYS 6 -4.870 -4.405 -18.618 707 HB2 LYS 6 2HB LYS 6 -6.460 -6.976 -18.130 708 HB3 LYS 6 1HB LYS 6 -7.107 -5.487 -18.801 709 HG2 LYS 6 2HG LYS 6 -5.047 -7.287 -20.117 710 HG3 LYS 6 1HG LYS 6 -6.753 -7.176 -20.545 711 HD2 LYS 6 2HD LYS 6 -4.650 -5.001 -20.873 712 HD3 LYS 6 1HD LYS 6 -5.410 -5.929 -22.161 713 HE2 LYS 6 2HE LYS 6 -6.772 -3.897 -20.360 714 HE3 LYS 6 1HE LYS 6 -6.396 -3.696 -22.066 715 HZ1 LYS 6 3HZ LYS 6 -8.320 -5.646 -20.930 716 HZ2 LYS 6 1HZ LYS 6 -7.943 -5.494 -22.570 717 HZ3 LYS 6 2HZ LYS 6 -8.704 -4.226 -21.753 718 H PHE 7 H PHE 7 -6.107 -3.094 -17.202 719 HA PHE 7 HA PHE 7 -6.481 -3.979 -14.437 720 HB2 PHE 7 2HB PHE 7 -5.574 -1.717 -13.707 721 HB3 PHE 7 1HB PHE 7 -4.353 -2.793 -14.363 722 HD1 PHE 7 HD1 PHE 7 -3.476 -2.395 -16.720 723 HD2 PHE 7 HD2 PHE 7 -5.992 0.437 -14.729 724 HE1 PHE 7 HE1 PHE 7 -2.790 -0.654 -18.322 725 HE2 PHE 7 HE2 PHE 7 -5.300 2.171 -16.338 726 HZ PHE 7 HZ PHE 7 -3.705 1.624 -18.131 727 H GLU 8 H GLU 8 -8.496 -3.416 -13.792 728 HA GLU 8 HA GLU 8 -9.952 -1.244 -15.162 729 HB2 GLU 8 2HB GLU 8 -10.689 -3.429 -16.105 730 HB3 GLU 8 1HB GLU 8 -11.014 -4.035 -14.482 731 HG2 GLU 8 2HG GLU 8 -12.787 -2.359 -14.184 732 HG3 GLU 8 1HG GLU 8 -12.440 -1.679 -15.773 733 H ILE 9 H ILE 9 -10.596 0.184 -13.621 734 HA ILE 9 HA ILE 9 -10.180 -0.503 -10.827 735 HB ILE 9 HB ILE 9 -10.937 2.141 -12.170 736 HG12 ILE 9 2HG1 ILE 9 -8.341 1.155 -10.886 737 HG13 ILE 9 1HG1 ILE 9 -8.610 1.404 -12.604 738 HG21 ILE 9 1HG2 ILE 9 -10.364 1.628 -9.225 739 HG22 ILE 9 2HG2 ILE 9 -11.928 2.074 -9.908 740 HG23 ILE 9 3HG2 ILE 9 -10.585 3.217 -9.959 741 HD11 ILE 9 3HD1 ILE 9 -7.262 3.164 -11.673 742 HD12 ILE 9 1HD1 ILE 9 -8.508 3.550 -10.487 743 HD13 ILE 9 2HD1 ILE 9 -8.809 3.816 -12.207 744 H ILE 10 H ILE 10 -11.719 -1.435 -9.761 745 HA ILE 10 HA ILE 10 -14.472 -1.595 -10.705 746 HB ILE 10 HB ILE 10 -13.110 -2.929 -8.308 747 HG12 ILE 10 2HG1 ILE 10 -12.122 -3.686 -10.430 748 HG13 ILE 10 1HG1 ILE 10 -13.073 -4.981 -9.720 749 HG21 ILE 10 1HG2 ILE 10 -15.047 -4.467 -8.258 750 HG22 ILE 10 2HG2 ILE 10 -15.834 -3.536 -9.534 751 HG23 ILE 10 3HG2 ILE 10 -15.541 -2.800 -7.958 752 HD11 ILE 10 3HD1 ILE 10 -13.384 -4.922 -12.113 753 HD12 ILE 10 1HD1 ILE 10 -13.878 -3.232 -12.050 754 HD13 ILE 10 2HD1 ILE 10 -14.896 -4.477 -11.324 755 H GLU 11 H GLU 11 -12.572 -0.158 -8.074 756 HA GLU 11 HA GLU 11 -14.715 1.675 -7.418 757 HB2 GLU 11 2HB GLU 11 -15.278 -0.414 -6.092 758 HB3 GLU 11 1HB GLU 11 -13.751 -0.241 -5.237 759 HG2 GLU 11 2HG GLU 11 -15.605 0.610 -3.895 760 HG3 GLU 11 1HG GLU 11 -14.497 1.913 -4.322 761 H GLU 12 H GLU 12 -13.980 3.443 -6.176 762 HA GLU 12 HA GLU 12 -11.092 3.564 -5.470 763 HB2 GLU 12 2HB GLU 12 -13.093 5.819 -5.967 764 HB3 GLU 12 1HB GLU 12 -11.421 6.051 -5.461 765 HG2 GLU 12 2HG GLU 12 -10.589 5.132 -7.547 766 HG3 GLU 12 1HG GLU 12 -12.217 4.687 -8.053 767 H LEU 13 H LEU 13 -10.608 3.580 -3.339 768 HA LEU 13 HA LEU 13 -12.916 3.166 -1.522 769 HB2 LEU 13 2HB LEU 13 -10.011 2.368 -1.108 770 HB3 LEU 13 1HB LEU 13 -11.341 1.993 -0.021 771 HG LEU 13 HG LEU 13 -10.895 0.891 -2.817 772 HD11 LEU 13 1HD1 LEU 13 -10.954 -0.457 -0.101 773 HD12 LEU 13 2HD1 LEU 13 -9.542 -0.185 -1.125 774 HD13 LEU 13 3HD1 LEU 13 -10.807 -1.287 -1.653 775 HD21 LEU 13 3HD2 LEU 13 -13.319 0.473 -1.038 776 HD22 LEU 13 1HD2 LEU 13 -12.970 -0.411 -2.526 777 HD23 LEU 13 2HD2 LEU 13 -13.281 1.318 -2.587 778 H ILE 14 H ILE 14 -9.654 4.580 -1.266 779 HA ILE 14 HA ILE 14 -10.609 6.687 0.579 780 HB ILE 14 HB ILE 14 -8.190 4.901 1.220 781 HG12 ILE 14 2HG1 ILE 14 -10.911 4.880 2.614 782 HG13 ILE 14 1HG1 ILE 14 -10.316 3.626 1.537 783 HG21 ILE 14 1HG2 ILE 14 -7.980 7.217 2.042 784 HG22 ILE 14 2HG2 ILE 14 -8.165 6.091 3.385 785 HG23 ILE 14 3HG2 ILE 14 -9.534 7.080 2.873 786 HD11 ILE 14 3HD1 ILE 14 -8.535 3.098 3.096 787 HD12 ILE 14 1HD1 ILE 14 -10.118 2.990 3.860 788 HD13 ILE 14 2HD1 ILE 14 -9.084 4.380 4.180 789 H VAL 15 H VAL 15 -9.829 8.567 -0.302 790 HA VAL 15 HA VAL 15 -7.432 8.598 -1.957 791 HB VAL 15 HB VAL 15 -9.135 10.971 -1.021 792 HG11 VAL 15 1HG1 VAL 15 -8.009 12.254 -2.805 793 HG12 VAL 15 2HG1 VAL 15 -7.028 10.849 -3.225 794 HG13 VAL 15 3HG1 VAL 15 -6.826 11.628 -1.654 795 HG21 VAL 15 3HG2 VAL 15 -10.113 10.945 -3.303 796 HG22 VAL 15 1HG2 VAL 15 -10.469 9.462 -2.414 797 HG23 VAL 15 2HG2 VAL 15 -9.220 9.463 -3.659 798 H LEU 16 H LEU 16 -5.485 8.731 -1.055 799 HA LEU 16 HA LEU 16 -5.163 9.536 1.765 800 HB2 LEU 16 2HB LEU 16 -3.203 8.175 -0.131 801 HB3 LEU 16 1HB LEU 16 -2.953 8.440 1.589 802 HG LEU 16 HG LEU 16 -5.069 6.631 0.358 803 HD11 LEU 16 1HD1 LEU 16 -3.821 4.777 1.369 804 HD12 LEU 16 2HD1 LEU 16 -2.581 5.906 1.926 805 HD13 LEU 16 3HD1 LEU 16 -2.838 5.658 0.197 806 HD21 LEU 16 3HD2 LEU 16 -4.484 7.171 3.278 807 HD22 LEU 16 1HD2 LEU 16 -5.607 5.961 2.654 808 HD23 LEU 16 2HD2 LEU 16 -5.923 7.672 2.385 809 H SER 17 H SER 17 -4.432 10.519 -1.493 810 HA SER 17 HA SER 17 -3.319 13.032 -0.807 811 HB2 SER 17 2HB SER 17 -1.352 11.649 -0.210 812 HB3 SER 17 1HB SER 17 -1.364 10.908 -1.807 813 HG SER 17 HG SER 17 -0.702 13.552 -1.065 814 H GLU 18 H GLU 18 -3.276 14.322 -2.524 815 HA GLU 18 HA GLU 18 -3.764 13.294 -5.266 816 HB2 GLU 18 2HB GLU 18 -5.890 14.229 -4.387 817 HB3 GLU 18 1HB GLU 18 -5.094 15.753 -4.005 818 HG2 GLU 18 2HG GLU 18 -4.719 16.215 -6.361 819 HG3 GLU 18 1HG GLU 18 -5.308 14.619 -6.816 820 H ASN 19 H ASN 19 -2.591 14.350 -6.898 821 HA ASN 19 HA ASN 19 -0.311 15.968 -5.841 822 HB2 ASN 19 2HB ASN 19 0.028 13.856 -7.273 823 HB3 ASN 19 1HB ASN 19 -0.602 14.760 -8.637 824 HD21 ASN 19 1HD2 ASN 19 2.037 13.495 -8.058 825 HD22 ASN 19 2HD2 ASN 19 3.206 14.728 -8.373 826 H ALA 20 H ALA 20 0.348 17.938 -7.027 827 HA ALA 20 HA ALA 20 -1.752 19.679 -7.846 828 HB1 ALA 20 3HB ALA 20 0.064 21.222 -8.494 829 HB2 ALA 20 1HB ALA 20 1.237 19.906 -8.346 830 HB3 ALA 20 2HB ALA 20 0.381 20.488 -6.922 831 H LYS 21 H LYS 21 0.500 17.603 -9.613 832 HA LYS 21 HA LYS 21 -0.419 18.060 -12.273 833 HB2 LYS 21 2HB LYS 21 0.734 15.497 -11.074 834 HB3 LYS 21 1HB LYS 21 0.672 15.892 -12.785 835 HG2 LYS 21 2HG LYS 21 2.297 17.364 -10.690 836 HG3 LYS 21 1HG LYS 21 2.931 16.188 -11.839 837 HD2 LYS 21 2HD LYS 21 1.655 18.849 -12.574 838 HD3 LYS 21 1HD LYS 21 3.388 18.531 -12.527 839 HE2 LYS 21 2HE LYS 21 3.182 16.915 -14.353 840 HE3 LYS 21 1HE LYS 21 1.425 17.097 -14.350 841 HZ1 LYS 21 3HZ LYS 21 3.379 19.242 -14.997 842 HZ2 LYS 21 1HZ LYS 21 1.697 19.412 -14.991 843 HZ3 LYS 21 2HZ LYS 21 2.440 18.390 -16.114 844 H GLY 22 H GLY 22 -1.780 16.423 -9.591 845 HA2 GLY 22 2HA GLY 22 -4.191 16.136 -9.556 846 HA3 GLY 22 1HA GLY 22 -4.073 15.349 -11.128 847 H TRP 23 H TRP 23 -1.558 14.002 -10.329 848 HA TRP 23 HA TRP 23 -2.550 11.482 -10.153 849 HB2 TRP 23 2HB TRP 23 0.169 12.546 -9.335 850 HB3 TRP 23 1HB TRP 23 -0.190 10.824 -9.314 851 HD1 TRP 23 HD1 TRP 23 -0.447 13.700 -11.967 852 HE1 TRP 23 HE1 TRP 23 0.351 12.745 -14.212 853 HE3 TRP 23 HE3 TRP 23 0.478 8.864 -10.529 854 HZ2 TRP 23 HZ2 TRP 23 1.265 10.279 -15.241 855 HZ3 TRP 23 HZ3 TRP 23 1.323 7.272 -12.205 856 HH2 TRP 23 HH2 TRP 23 1.706 7.967 -14.518 857 H ARG 24 H ARG 24 -3.680 10.441 -8.654 858 HA ARG 24 HA ARG 24 -3.534 11.263 -5.834 859 HB2 ARG 24 2HB ARG 24 -5.666 9.928 -7.528 860 HB3 ARG 24 1HB ARG 24 -5.682 9.741 -5.775 861 HG2 ARG 24 2HG ARG 24 -5.775 12.190 -5.510 862 HG3 ARG 24 1HG ARG 24 -5.798 12.385 -7.261 863 HD2 ARG 24 2HD ARG 24 -7.907 10.814 -5.742 864 HD3 ARG 24 1HD ARG 24 -8.047 12.542 -6.067 865 HE ARG 24 HE ARG 24 -7.982 11.981 -8.472 866 HH11 ARG 24 1HH1 ARG 24 -8.926 9.439 -6.240 867 HH12 ARG 24 2HH1 ARG 24 -9.847 8.577 -7.426 868 HH21 ARG 24 1HH2 ARG 24 -9.257 10.874 -10.006 869 HH22 ARG 24 2HH2 ARG 24 -10.031 9.391 -9.546 870 H LYS 25 H LYS 25 -2.259 10.032 -4.567 871 HA LYS 25 HA LYS 25 -1.909 7.186 -5.310 872 HB2 LYS 25 2HB LYS 25 0.021 7.061 -3.887 873 HB3 LYS 25 1HB LYS 25 0.212 8.406 -4.991 874 HG2 LYS 25 2HG LYS 25 -0.190 9.988 -3.203 875 HG3 LYS 25 1HG LYS 25 -0.559 8.672 -2.080 876 HD2 LYS 25 2HD LYS 25 1.771 7.800 -2.388 877 HD3 LYS 25 1HD LYS 25 2.132 9.188 -3.422 878 HE2 LYS 25 2HE LYS 25 1.273 9.349 -0.521 879 HE3 LYS 25 1HE LYS 25 2.934 9.486 -1.095 880 HZ1 LYS 25 3HZ LYS 25 2.385 11.475 -2.254 881 HZ2 LYS 25 1HZ LYS 25 1.842 11.631 -0.664 882 HZ3 LYS 25 2HZ LYS 25 0.744 11.312 -1.905 883 H GLU 26 H GLU 26 -3.443 6.046 -4.576 884 HA GLU 26 HA GLU 26 -4.523 6.438 -1.860 885 HB2 GLU 26 2HB GLU 26 -6.814 6.538 -2.779 886 HB3 GLU 26 1HB GLU 26 -5.822 7.887 -3.313 887 HG2 GLU 26 2HG GLU 26 -5.529 6.848 -5.525 888 HG3 GLU 26 1HG GLU 26 -6.451 5.432 -4.985 889 H LEU 27 H LEU 27 -6.288 4.880 -1.435 890 HA LEU 27 HA LEU 27 -5.647 2.163 -2.346 891 HB2 LEU 27 2HB LEU 27 -5.795 2.617 0.100 892 HB3 LEU 27 1HB LEU 27 -7.437 3.201 -0.107 893 HG LEU 27 HG LEU 27 -8.092 0.876 -0.881 894 HD11 LEU 27 1HD1 LEU 27 -5.324 0.095 0.074 895 HD12 LEU 27 2HD1 LEU 27 -5.922 0.023 -1.584 896 HD13 LEU 27 3HD1 LEU 27 -6.623 -1.022 -0.353 897 HD21 LEU 27 3HD2 LEU 27 -8.205 -0.066 1.373 898 HD22 LEU 27 1HD2 LEU 27 -8.554 1.662 1.393 899 HD23 LEU 27 2HD2 LEU 27 -6.978 1.075 1.931 900 H ASN 28 H ASN 28 -6.833 1.451 -4.004 901 HA ASN 28 HA ASN 28 -9.750 1.948 -4.109 902 HB2 ASN 28 2HB ASN 28 -9.707 2.639 -6.360 903 HB3 ASN 28 1HB ASN 28 -8.252 3.411 -5.749 904 HD21 ASN 28 1HD2 ASN 28 -6.187 2.167 -6.129 905 HD22 ASN 28 2HD2 ASN 28 -6.054 1.284 -7.609 906 H ARG 29 H ARG 29 -10.803 0.205 -5.612 907 HA ARG 29 HA ARG 29 -9.363 -2.372 -5.398 908 HB2 ARG 29 2HB ARG 29 -12.329 -1.782 -5.853 909 HB3 ARG 29 1HB ARG 29 -11.624 -3.396 -5.893 910 HG2 ARG 29 2HG ARG 29 -10.920 -3.149 -3.533 911 HG3 ARG 29 1HG ARG 29 -11.646 -1.541 -3.499 912 HD2 ARG 29 2HD ARG 29 -13.169 -3.085 -2.458 913 HD3 ARG 29 1HD ARG 29 -13.863 -2.594 -4.004 914 HE ARG 29 HE ARG 29 -12.313 -5.057 -4.024 915 HH11 ARG 29 1HH1 ARG 29 -15.544 -3.678 -3.765 916 HH12 ARG 29 2HH1 ARG 29 -16.328 -5.167 -4.185 917 HH21 ARG 29 1HH2 ARG 29 -13.373 -6.994 -4.530 918 HH22 ARG 29 2HH2 ARG 29 -15.104 -7.034 -4.617 919 H VAL 30 H VAL 30 -8.572 -3.291 -7.165 920 HA VAL 30 HA VAL 30 -9.518 -2.493 -9.865 921 HB VAL 30 HB VAL 30 -6.619 -3.133 -9.073 922 HG11 VAL 30 1HG1 VAL 30 -7.083 -3.989 -11.328 923 HG12 VAL 30 2HG1 VAL 30 -6.016 -2.588 -11.415 924 HG13 VAL 30 3HG1 VAL 30 -7.729 -2.421 -11.820 925 HG21 VAL 30 3HG2 VAL 30 -7.810 -0.509 -10.039 926 HG22 VAL 30 1HG2 VAL 30 -6.102 -0.811 -9.693 927 HG23 VAL 30 2HG2 VAL 30 -7.290 -0.864 -8.390 928 H SER 31 H SER 31 -9.702 -4.121 -11.336 929 HA SER 31 HA SER 31 -9.310 -6.937 -10.529 930 HB2 SER 31 2HB SER 31 -11.663 -6.477 -11.020 931 HB3 SER 31 1HB SER 31 -11.238 -5.676 -12.537 932 HG SER 31 HG SER 31 -11.603 -8.321 -12.014 933 H TRP 32 H TRP 32 -7.673 -7.909 -11.598 934 HA TRP 32 HA TRP 32 -6.418 -6.519 -13.886 935 HB2 TRP 32 2HB TRP 32 -5.249 -8.520 -11.899 936 HB3 TRP 32 1HB TRP 32 -4.376 -7.842 -13.269 937 HD1 TRP 32 HD1 TRP 32 -5.713 -6.852 -9.778 938 HE1 TRP 32 HE1 TRP 32 -4.446 -4.727 -9.027 939 HE3 TRP 32 HE3 TRP 32 -3.235 -5.739 -14.139 940 HZ2 TRP 32 HZ2 TRP 32 -2.750 -2.820 -10.135 941 HZ3 TRP 32 HZ3 TRP 32 -1.801 -3.734 -14.195 942 HH2 TRP 32 HH2 TRP 32 -1.565 -2.301 -12.225 943 H ASN 33 H ASN 33 -6.745 -7.405 -15.786 944 HA ASN 33 HA ASN 33 -7.109 -8.866 -17.515 945 HB2 ASN 33 2HB ASN 33 -5.682 -10.747 -15.574 946 HB3 ASN 33 1HB ASN 33 -6.034 -11.183 -17.245 947 HD21 ASN 33 1HD2 ASN 33 -3.469 -10.869 -15.808 948 HD22 ASN 33 2HD2 ASN 33 -2.554 -9.759 -16.764 949 H ASP 34 H ASP 34 -9.313 -8.475 -15.784 950 HA ASP 34 HA ASP 34 -11.441 -9.168 -15.428 951 HB2 ASP 34 2HB ASP 34 -11.437 -9.765 -17.798 952 HB3 ASP 34 1HB ASP 34 -10.627 -11.280 -17.473 953 H ALA 35 H ALA 35 -9.176 -10.226 -13.732 954 HA ALA 35 HA ALA 35 -10.075 -12.853 -12.799 955 HB1 ALA 35 3HB ALA 35 -7.667 -12.375 -12.848 956 HB2 ALA 35 1HB ALA 35 -8.205 -12.663 -11.194 957 HB3 ALA 35 2HB ALA 35 -7.886 -11.015 -11.747 958 H GLU 36 H GLU 36 -10.269 -13.004 -10.320 959 HA GLU 36 HA GLU 36 -12.454 -11.556 -9.326 960 HB2 GLU 36 2HB GLU 36 -10.305 -12.985 -7.722 961 HB3 GLU 36 1HB GLU 36 -11.847 -12.452 -7.067 962 HG2 GLU 36 2HG GLU 36 -11.435 -14.548 -9.220 963 HG3 GLU 36 1HG GLU 36 -11.901 -14.844 -7.547 964 HA PRO 37 HA PRO 37 -10.541 -7.510 -8.705 965 HB2 PRO 37 2HB PRO 37 -12.925 -7.093 -6.888 966 HB3 PRO 37 1HB PRO 37 -12.337 -6.085 -8.231 967 HG2 PRO 37 2HG PRO 37 -14.494 -7.596 -8.566 968 HG3 PRO 37 1HG PRO 37 -13.290 -7.451 -9.869 969 HD2 PRO 37 2HD PRO 37 -13.716 -9.727 -7.938 970 HD3 PRO 37 1HD PRO 37 -13.337 -9.769 -9.677 971 H LYS 38 H LYS 38 -9.247 -6.560 -7.166 972 HA LYS 38 HA LYS 38 -9.341 -7.475 -4.393 973 HB2 LYS 38 2HB LYS 38 -6.874 -7.851 -4.362 974 HB3 LYS 38 1HB LYS 38 -7.737 -9.019 -5.352 975 HG2 LYS 38 2HG LYS 38 -6.974 -7.917 -7.395 976 HG3 LYS 38 1HG LYS 38 -6.229 -6.622 -6.448 977 HD2 LYS 38 2HD LYS 38 -4.573 -8.337 -7.254 978 HD3 LYS 38 1HD LYS 38 -4.600 -8.164 -5.498 979 HE2 LYS 38 2HE LYS 38 -6.028 -10.188 -5.333 980 HE3 LYS 38 1HE LYS 38 -5.971 -10.363 -7.087 981 HZ1 LYS 38 3HZ LYS 38 -3.649 -10.532 -5.236 982 HZ2 LYS 38 1HZ LYS 38 -3.566 -10.653 -6.924 983 HZ3 LYS 38 2HZ LYS 38 -4.393 -11.819 -6.032 984 H TYR 39 H TYR 39 -7.552 -6.241 -3.169 985 HA TYR 39 HA TYR 39 -8.213 -3.450 -3.541 986 HB2 TYR 39 2HB TYR 39 -6.643 -4.818 -1.313 987 HB3 TYR 39 1HB TYR 39 -7.334 -3.192 -1.272 988 HD1 TYR 39 HD1 TYR 39 -8.106 -6.810 -1.135 989 HD2 TYR 39 HD2 TYR 39 -9.775 -2.875 -0.993 990 HE1 TYR 39 HE1 TYR 39 -10.209 -7.743 -0.316 991 HE2 TYR 39 HE2 TYR 39 -11.883 -3.806 -0.154 992 HH TYR 39 HH TYR 39 -12.181 -7.161 0.758 993 H ASP 40 H ASP 40 -6.826 -1.953 -4.034 994 HA ASP 40 HA ASP 40 -4.031 -2.600 -4.784 995 HB2 ASP 40 2HB ASP 40 -5.713 -2.586 -6.722 996 HB3 ASP 40 1HB ASP 40 -5.992 -0.881 -6.384 997 H ILE 41 H ILE 41 -2.557 -0.982 -4.335 998 HA ILE 41 HA ILE 41 -3.542 1.643 -3.477 999 HB ILE 41 HB ILE 41 -3.373 0.444 -1.369 1000 HG12 ILE 41 2HG1 ILE 41 -1.014 2.355 -1.641 1001 HG13 ILE 41 1HG1 ILE 41 -2.688 2.848 -1.446 1002 HG21 ILE 41 1HG2 ILE 41 -1.296 -0.539 -0.487 1003 HG22 ILE 41 2HG2 ILE 41 -0.486 -0.202 -2.016 1004 HG23 ILE 41 3HG2 ILE 41 -1.821 -1.352 -1.966 1005 HD11 ILE 41 3HD1 ILE 41 -1.494 3.048 0.631 1006 HD12 ILE 41 1HD1 ILE 41 -1.028 1.348 0.577 1007 HD13 ILE 41 2HD1 ILE 41 -2.726 1.795 0.775 1008 H ARG 42 H ARG 42 -2.629 2.973 -4.729 1009 HA ARG 42 HA ARG 42 0.120 2.856 -5.720 1010 HB2 ARG 42 2HB ARG 42 -0.883 1.052 -7.074 1011 HB3 ARG 42 1HB ARG 42 -2.200 2.105 -7.574 1012 HG2 ARG 42 2HG ARG 42 -0.711 3.440 -8.933 1013 HG3 ARG 42 1HG ARG 42 0.709 2.610 -8.302 1014 HD2 ARG 42 2HD ARG 42 -1.462 1.311 -9.986 1015 HD3 ARG 42 1HD ARG 42 0.083 1.903 -10.597 1016 HE ARG 42 HE ARG 42 1.198 0.219 -9.249 1017 HH11 ARG 42 1HH1 ARG 42 -2.230 -0.187 -9.677 1018 HH12 ARG 42 2HH1 ARG 42 -2.213 -1.882 -9.341 1019 HH21 ARG 42 1HH2 ARG 42 1.248 -2.016 -8.772 1020 HH22 ARG 42 2HH2 ARG 42 -0.223 -2.937 -8.829 1021 H THR 43 H THR 43 0.515 4.642 -7.441 1022 HA THR 43 HA THR 43 -1.212 6.935 -6.940 1023 HB THR 43 HB THR 43 1.415 6.902 -8.500 1024 HG1 THR 43 HG1 THR 43 1.216 6.300 -5.934 1025 HG21 THR 43 3HG2 THR 43 -0.069 9.085 -6.977 1026 HG22 THR 43 1HG2 THR 43 0.009 8.919 -8.734 1027 HG23 THR 43 2HG2 THR 43 1.471 9.291 -7.818 1028 H TRP 44 H TRP 44 -2.756 7.200 -8.398 1029 HA TRP 44 HA TRP 44 -2.497 6.201 -11.183 1030 HB2 TRP 44 2HB TRP 44 -5.000 6.586 -9.459 1031 HB3 TRP 44 1HB TRP 44 -5.015 6.137 -11.160 1032 HD1 TRP 44 HD1 TRP 44 -4.492 4.642 -7.674 1033 HE1 TRP 44 HE1 TRP 44 -4.484 2.068 -7.896 1034 HE3 TRP 44 HE3 TRP 44 -4.247 4.232 -12.770 1035 HZ2 TRP 44 HZ2 TRP 44 -4.301 0.140 -9.920 1036 HZ3 TRP 44 HZ3 TRP 44 -4.164 1.984 -13.766 1037 HH2 TRP 44 HH2 TRP 44 -4.190 -0.025 -12.372 1038 H SER 45 H SER 45 -3.514 7.585 -12.777 1039 HA SER 45 HA SER 45 -3.504 10.442 -12.146 1040 HB2 SER 45 2HB SER 45 -3.967 8.920 -14.741 1041 HB3 SER 45 1HB SER 45 -4.092 10.682 -14.616 1042 HG SER 45 HG SER 45 -1.822 9.787 -13.465 1043 HA PRO 46 HA PRO 46 -7.956 10.947 -11.422 1044 HB2 PRO 46 2HB PRO 46 -8.374 13.293 -12.930 1045 HB3 PRO 46 1HB PRO 46 -7.778 13.240 -11.264 1046 HG2 PRO 46 2HG PRO 46 -6.209 13.491 -13.803 1047 HG3 PRO 46 1HG PRO 46 -5.995 14.345 -12.256 1048 HD2 PRO 46 2HD PRO 46 -4.393 12.318 -12.909 1049 HD3 PRO 46 1HD PRO 46 -4.960 12.501 -11.234 1050 H ASP 47 H ASP 47 -6.653 10.963 -14.681 1051 HA ASP 47 HA ASP 47 -9.178 10.445 -16.029 1052 HB2 ASP 47 2HB ASP 47 -6.310 10.368 -17.074 1053 HB3 ASP 47 1HB ASP 47 -7.757 10.345 -18.071 1054 H HIS 48 H HIS 48 -7.022 8.545 -14.305 1055 HA HIS 48 HA HIS 48 -6.715 6.329 -13.914 1056 HB2 HIS 48 2HB HIS 48 -9.350 6.035 -15.412 1057 HB3 HIS 48 1HB HIS 48 -8.590 4.756 -14.467 1058 HD1 HIS 48 HD1 HIS 48 -11.447 6.067 -13.879 1059 HD2 HIS 48 HD2 HIS 48 -7.887 6.875 -11.878 1060 HE1 HIS 48 HE1 HIS 48 -12.115 6.883 -11.598 1061 HE2 HIS 48 HE2 HIS 48 -9.946 7.168 -10.373 1062 H GLU 49 H GLU 49 -5.942 7.548 -16.658 1063 HA GLU 49 HA GLU 49 -5.697 5.209 -18.403 1064 HB2 GLU 49 2HB GLU 49 -4.738 6.864 -20.021 1065 HB3 GLU 49 1HB GLU 49 -6.336 7.330 -19.449 1066 HG2 GLU 49 2HG GLU 49 -5.370 8.991 -17.940 1067 HG3 GLU 49 1HG GLU 49 -3.744 8.447 -18.332 1068 H LYS 50 H LYS 50 -3.865 6.984 -16.090 1069 HA LYS 50 HA LYS 50 -1.315 5.720 -16.895 1070 HB2 LYS 50 2HB LYS 50 -1.810 8.491 -15.754 1071 HB3 LYS 50 1HB LYS 50 -0.219 7.780 -15.879 1072 HG2 LYS 50 2HG LYS 50 -1.757 7.917 -18.433 1073 HG3 LYS 50 1HG LYS 50 -1.313 9.468 -17.727 1074 HD2 LYS 50 2HD LYS 50 0.395 8.785 -19.317 1075 HD3 LYS 50 1HD LYS 50 1.063 8.760 -17.686 1076 HE2 LYS 50 2HE LYS 50 0.728 6.282 -17.639 1077 HE3 LYS 50 1HE LYS 50 0.179 6.357 -19.317 1078 HZ1 LYS 50 3HZ LYS 50 2.533 5.763 -19.114 1079 HZ2 LYS 50 1HZ LYS 50 2.853 7.242 -18.362 1080 HZ3 LYS 50 2HZ LYS 50 2.322 7.207 -19.967 1081 H MET 51 H MET 51 0.022 5.044 -15.254 1082 HA MET 51 HA MET 51 -0.860 5.065 -12.459 1083 HB2 MET 51 2HB MET 51 -0.604 2.646 -12.225 1084 HB3 MET 51 1HB MET 51 -1.804 2.990 -13.459 1085 HG2 MET 51 2HG MET 51 -0.047 2.552 -15.201 1086 HG3 MET 51 1HG MET 51 1.040 2.049 -13.905 1087 HE1 MET 51 3HE MET 51 -0.079 -1.301 -15.763 1088 HE2 MET 51 1HE MET 51 1.294 -0.263 -15.380 1089 HE3 MET 51 2HE MET 51 0.067 0.280 -16.527 1090 H GLY 52 H GLY 52 0.903 4.055 -11.054 1091 HA2 GLY 52 2HA GLY 52 3.606 4.029 -12.190 1092 HA3 GLY 52 1HA GLY 52 3.244 5.282 -11.002 1093 H LYS 53 H LYS 53 4.292 4.655 -9.177 1094 HA LYS 53 HA LYS 53 4.804 1.888 -8.594 1095 HB2 LYS 53 2HB LYS 53 5.386 4.375 -6.935 1096 HB3 LYS 53 1HB LYS 53 6.030 2.765 -6.624 1097 HG2 LYS 53 2HG LYS 53 6.571 4.446 -9.087 1098 HG3 LYS 53 1HG LYS 53 7.688 4.180 -7.747 1099 HD2 LYS 53 2HD LYS 53 7.874 1.811 -8.300 1100 HD3 LYS 53 1HD LYS 53 6.615 1.955 -9.532 1101 HE2 LYS 53 2HE LYS 53 8.862 1.880 -10.538 1102 HE3 LYS 53 1HE LYS 53 8.070 3.419 -10.869 1103 HZ1 LYS 53 3HZ LYS 53 10.093 2.961 -8.743 1104 HZ2 LYS 53 1HZ LYS 53 9.381 4.442 -9.138 1105 HZ3 LYS 53 2HZ LYS 53 10.403 3.673 -10.244 1106 H GLY 54 H GLY 54 3.643 0.534 -7.398 1107 HA2 GLY 54 2HA GLY 54 2.319 1.156 -4.992 1108 HA3 GLY 54 1HA GLY 54 1.144 1.029 -6.303 1109 H ILE 55 H ILE 55 0.569 -0.788 -4.678 1110 HA ILE 55 HA ILE 55 1.706 -3.308 -5.649 1111 HB ILE 55 HB ILE 55 3.065 -2.844 -3.642 1112 HG12 ILE 55 2HG1 ILE 55 1.053 -5.095 -3.164 1113 HG13 ILE 55 1HG1 ILE 55 2.524 -5.211 -4.118 1114 HG21 ILE 55 1HG2 ILE 55 2.107 -2.658 -1.383 1115 HG22 ILE 55 2HG2 ILE 55 0.479 -2.738 -2.056 1116 HG23 ILE 55 3HG2 ILE 55 1.518 -1.363 -2.432 1117 HD11 ILE 55 3HD1 ILE 55 2.370 -4.787 -1.135 1118 HD12 ILE 55 1HD1 ILE 55 3.855 -4.879 -2.086 1119 HD13 ILE 55 2HD1 ILE 55 2.791 -6.280 -1.974 1120 H THR 56 H THR 56 0.352 -5.063 -5.406 1121 HA THR 56 HA THR 56 -2.512 -4.507 -5.030 1122 HB THR 56 HB THR 56 -2.747 -6.843 -6.104 1123 HG1 THR 56 HG1 THR 56 -0.382 -7.246 -5.662 1124 HG21 THR 56 3HG2 THR 56 -3.136 -4.795 -7.404 1125 HG22 THR 56 1HG2 THR 56 -2.358 -6.034 -8.390 1126 HG23 THR 56 2HG2 THR 56 -1.408 -4.683 -7.764 1127 H LEU 57 H LEU 57 -3.676 -5.581 -3.548 1128 HA LEU 57 HA LEU 57 -2.445 -7.447 -1.640 1129 HB2 LEU 57 2HB LEU 57 -4.501 -5.269 -1.033 1130 HB3 LEU 57 1HB LEU 57 -3.856 -6.419 0.127 1131 HG LEU 57 HG LEU 57 -2.288 -4.189 -1.225 1132 HD11 LEU 57 1HD1 LEU 57 -2.222 -3.157 1.005 1133 HD12 LEU 57 2HD1 LEU 57 -3.236 -4.448 1.649 1134 HD13 LEU 57 3HD1 LEU 57 -3.878 -3.341 0.433 1135 HD21 LEU 57 3HD2 LEU 57 -1.365 -6.204 0.853 1136 HD22 LEU 57 1HD2 LEU 57 -0.442 -4.800 0.308 1137 HD23 LEU 57 2HD2 LEU 57 -0.822 -6.096 -0.823 1138 H SER 58 H SER 58 -3.617 -9.274 -1.449 1139 HA SER 58 HA SER 58 -6.109 -9.653 -2.916 1140 HB2 SER 58 2HB SER 58 -4.484 -11.621 -1.233 1141 HB3 SER 58 1HB SER 58 -5.745 -12.025 -2.403 1142 HG SER 58 HG SER 58 -3.133 -11.061 -2.847 1143 H GLU 59 H GLU 59 -7.920 -10.813 -1.690 1144 HA GLU 59 HA GLU 59 -9.006 -9.105 0.163 1145 HB2 GLU 59 2HB GLU 59 -9.640 -12.050 -0.256 1146 HB3 GLU 59 1HB GLU 59 -10.712 -10.874 0.499 1147 HG2 GLU 59 2HG GLU 59 -10.956 -9.657 -1.584 1148 HG3 GLU 59 1HG GLU 59 -9.739 -10.662 -2.371 1149 H GLU 60 H GLU 60 -7.288 -12.143 0.817 1150 HA GLU 60 HA GLU 60 -7.686 -12.074 3.666 1151 HB2 GLU 60 2HB GLU 60 -5.816 -13.755 1.953 1152 HB3 GLU 60 1HB GLU 60 -6.001 -13.957 3.694 1153 HG2 GLU 60 2HG GLU 60 -8.451 -14.407 3.329 1154 HG3 GLU 60 1HG GLU 60 -8.157 -14.348 1.592 1155 H GLU 61 H GLU 61 -5.041 -11.033 1.537 1156 HA GLU 61 HA GLU 61 -3.099 -10.539 3.574 1157 HB2 GLU 61 2HB GLU 61 -3.334 -9.216 0.824 1158 HB3 GLU 61 1HB GLU 61 -1.892 -9.262 1.837 1159 HG2 GLU 61 2HG GLU 61 -1.759 -11.689 1.603 1160 HG3 GLU 61 1HG GLU 61 -3.246 -11.700 0.654 1161 H PHE 62 H PHE 62 -5.309 -8.387 1.815 1162 HA PHE 62 HA PHE 62 -4.916 -6.024 3.288 1163 HB2 PHE 62 2HB PHE 62 -5.949 -6.087 1.042 1164 HB3 PHE 62 1HB PHE 62 -7.335 -6.964 1.678 1165 HD1 PHE 62 HD2 PHE 62 -5.519 -3.699 1.873 1166 HD2 PHE 62 HD1 PHE 62 -9.198 -5.763 2.584 1167 HE1 PHE 62 HE2 PHE 62 -6.650 -1.559 2.295 1168 HE2 PHE 62 HE1 PHE 62 -10.317 -3.617 3.008 1169 HZ PHE 62 HZ PHE 62 -9.049 -1.514 2.855 1170 H GLY 63 H GLY 63 -7.198 -8.764 3.727 1171 HA2 GLY 63 2HA GLY 63 -8.738 -7.790 5.831 1172 HA3 GLY 63 1HA GLY 63 -8.335 -9.482 5.570 1173 H VAL 64 H VAL 64 -5.620 -9.540 5.950 1174 HA VAL 64 HA VAL 64 -5.209 -9.490 8.731 1175 HB VAL 64 HB VAL 64 -3.186 -9.535 6.450 1176 HG11 VAL 64 1HG1 VAL 64 -2.620 -10.024 9.394 1177 HG12 VAL 64 2HG1 VAL 64 -2.050 -8.653 8.439 1178 HG13 VAL 64 3HG1 VAL 64 -1.481 -10.282 8.072 1179 HG21 VAL 64 3HG2 VAL 64 -4.649 -11.509 6.549 1180 HG22 VAL 64 1HG2 VAL 64 -4.194 -11.778 8.233 1181 HG23 VAL 64 2HG2 VAL 64 -2.988 -11.939 6.954 1182 H LEU 65 H LEU 65 -4.409 -7.098 6.154 1183 HA LEU 65 HA LEU 65 -2.929 -5.263 7.660 1184 HB2 LEU 65 2HB LEU 65 -3.289 -5.248 5.145 1185 HB3 LEU 65 1HB LEU 65 -4.895 -4.605 5.427 1186 HG LEU 65 HG LEU 65 -3.758 -2.591 6.563 1187 HD11 LEU 65 1HD1 LEU 65 -1.421 -2.143 6.006 1188 HD12 LEU 65 2HD1 LEU 65 -1.269 -3.742 5.272 1189 HD13 LEU 65 3HD1 LEU 65 -1.577 -3.588 7.003 1190 HD21 LEU 65 3HD2 LEU 65 -3.272 -1.471 4.442 1191 HD22 LEU 65 1HD2 LEU 65 -4.720 -2.468 4.299 1192 HD23 LEU 65 2HD2 LEU 65 -3.194 -3.026 3.608 1193 H LEU 66 H LEU 66 -6.479 -5.356 7.043 1194 HA LEU 66 HA LEU 66 -7.332 -3.160 8.504 1195 HB2 LEU 66 2HB LEU 66 -8.742 -5.828 8.060 1196 HB3 LEU 66 1HB LEU 66 -9.535 -4.372 8.632 1197 HG LEU 66 HG LEU 66 -8.223 -4.680 5.910 1198 HD11 LEU 66 1HD1 LEU 66 -11.172 -4.632 6.626 1199 HD12 LEU 66 2HD1 LEU 66 -10.252 -6.027 6.056 1200 HD13 LEU 66 3HD1 LEU 66 -10.499 -4.647 4.991 1201 HD21 LEU 66 3HD2 LEU 66 -9.268 -2.509 5.388 1202 HD22 LEU 66 1HD2 LEU 66 -8.082 -2.384 6.685 1203 HD23 LEU 66 2HD2 LEU 66 -9.805 -2.365 7.064 1204 H LYS 67 H LYS 67 -7.042 -6.548 9.556 1205 HA LYS 67 HA LYS 67 -8.016 -6.345 12.178 1206 HB2 LYS 67 2HB LYS 67 -5.976 -8.221 10.931 1207 HB3 LYS 67 1HB LYS 67 -6.583 -8.434 12.571 1208 HG2 LYS 67 2HG LYS 67 -8.782 -8.907 11.825 1209 HG3 LYS 67 1HG LYS 67 -8.452 -8.307 10.196 1210 HD2 LYS 67 2HD LYS 67 -8.554 -10.846 10.429 1211 HD3 LYS 67 1HD LYS 67 -7.094 -10.216 9.665 1212 HE2 LYS 67 2HE LYS 67 -5.822 -10.533 11.700 1213 HE3 LYS 67 1HE LYS 67 -7.275 -10.988 12.598 1214 HZ1 LYS 67 3HZ LYS 67 -7.471 -12.923 11.108 1215 HZ2 LYS 67 1HZ LYS 67 -6.050 -12.940 12.026 1216 HZ3 LYS 67 2HZ LYS 67 -6.001 -12.509 10.390 1217 H GLU 68 H GLU 68 -4.664 -6.202 11.019 1218 HA GLU 68 HA GLU 68 -3.560 -5.875 13.641 1219 HB2 GLU 68 2HB GLU 68 -2.173 -5.570 10.953 1220 HB3 GLU 68 1HB GLU 68 -1.394 -5.803 12.511 1221 HG2 GLU 68 2HG GLU 68 -3.034 -7.799 10.943 1222 HG3 GLU 68 1HG GLU 68 -1.323 -7.886 11.338 1223 H LEU 69 H LEU 69 -4.554 -3.670 11.106 1224 HA LEU 69 HA LEU 69 -3.294 -1.322 12.213 1225 HB2 LEU 69 2HB LEU 69 -5.623 -1.644 10.269 1226 HB3 LEU 69 1HB LEU 69 -5.023 -0.074 10.784 1227 HG LEU 69 HG LEU 69 -3.452 -2.147 9.200 1228 HD11 LEU 69 1HD1 LEU 69 -3.535 -0.518 7.371 1229 HD12 LEU 69 2HD1 LEU 69 -4.539 0.553 8.353 1230 HD13 LEU 69 3HD1 LEU 69 -5.151 -1.026 7.855 1231 HD21 LEU 69 3HD2 LEU 69 -1.685 -0.491 9.023 1232 HD22 LEU 69 1HD2 LEU 69 -1.965 -0.925 10.708 1233 HD23 LEU 69 2HD2 LEU 69 -2.572 0.612 10.080 1234 H GLY 70 H GLY 70 -6.474 -2.883 12.511 1235 HA2 GLY 70 2HA GLY 70 -7.712 -1.065 14.294 1236 HA3 GLY 70 1HA GLY 70 -8.101 -2.769 14.131 1237 H ASN 71 H ASN 71 -5.552 -3.786 14.831 1238 HA ASN 71 HA ASN 71 -5.493 -3.800 17.680 1239 HB2 ASN 71 2HB ASN 71 -3.329 -4.593 15.662 1240 HB3 ASN 71 1HB ASN 71 -3.217 -4.915 17.393 1241 HD21 ASN 71 1HD2 ASN 71 -3.250 -6.813 15.174 1242 HD22 ASN 71 2HD2 ASN 71 -4.585 -7.871 15.450 1243 H LYS 72 H LYS 72 -3.077 -2.508 15.447 1244 HA LYS 72 HA LYS 72 -1.683 -0.733 16.903 1245 HB2 LYS 72 2HB LYS 72 -2.644 -0.365 14.044 1246 HB3 LYS 72 1HB LYS 72 -1.491 0.737 14.799 1247 HG2 LYS 72 2HG LYS 72 0.048 -1.118 15.204 1248 HG3 LYS 72 1HG LYS 72 -1.102 -2.248 14.486 1249 HD2 LYS 72 2HD LYS 72 -0.878 -1.154 12.312 1250 HD3 LYS 72 1HD LYS 72 0.181 0.075 13.014 1251 HE2 LYS 72 2HE LYS 72 0.768 -2.891 12.828 1252 HE3 LYS 72 1HE LYS 72 1.493 -1.615 11.854 1253 HZ1 LYS 72 3HZ LYS 72 2.982 -2.243 13.610 1254 HZ2 LYS 72 1HZ LYS 72 1.797 -1.977 14.784 1255 HZ3 LYS 72 2HZ LYS 72 2.428 -0.676 13.912 1256 H LEU 73 H LEU 73 -5.032 -0.020 15.842 1257 HA LEU 73 HA LEU 73 -5.019 2.721 16.637 1258 HB2 LEU 73 2HB LEU 73 -7.340 0.769 16.349 1259 HB3 LEU 73 1HB LEU 73 -7.548 2.488 16.647 1260 HG LEU 73 HG LEU 73 -6.296 1.245 14.169 1261 HD11 LEU 73 1HD1 LEU 73 -8.931 2.706 14.459 1262 HD12 LEU 73 2HD1 LEU 73 -8.725 0.965 14.252 1263 HD13 LEU 73 3HD1 LEU 73 -8.248 2.066 12.961 1264 HD21 LEU 73 3HD2 LEU 73 -5.176 3.367 14.659 1265 HD22 LEU 73 1HD2 LEU 73 -6.735 4.191 14.767 1266 HD23 LEU 73 2HD2 LEU 73 -6.188 3.522 13.227 1267 H GLU 74 H GLU 74 -5.586 -0.263 18.379 1268 HA GLU 74 HA GLU 74 -6.192 0.973 20.918 1269 HB2 GLU 74 2HB GLU 74 -5.320 -1.858 20.212 1270 HB3 GLU 74 1HB GLU 74 -5.792 -1.349 21.829 1271 HG2 GLU 74 2HG GLU 74 -7.587 -1.274 19.386 1272 HG3 GLU 74 1HG GLU 74 -7.606 -2.525 20.628 1273 H HIS 75 H HIS 75 -3.302 -0.189 19.284 1274 HA HIS 75 HA HIS 75 -1.526 0.441 21.521 1275 HB2 HIS 75 2HB HIS 75 -0.957 -0.585 18.708 1276 HB3 HIS 75 1HB HIS 75 0.296 -0.283 19.908 1277 HD1 HIS 75 HD1 HIS 75 0.181 -1.821 22.111 1278 HD2 HIS 75 HD2 HIS 75 -2.194 -3.065 18.938 1279 HE1 HIS 75 HE1 HIS 75 -0.473 -4.184 22.641 1280 HE2 HIS 75 HE2 HIS 75 -1.936 -4.899 20.732 1281 H HIS 76 H HIS 76 -3.112 2.428 19.517 1282 HA HIS 76 HA HIS 76 -0.948 4.456 19.452 1283 HB2 HIS 76 2HB HIS 76 -3.415 4.091 17.717 1284 HB3 HIS 76 1HB HIS 76 -2.706 5.692 17.892 1285 HD1 HIS 76 HD1 HIS 76 -2.682 3.092 15.562 1286 HD2 HIS 76 HD2 HIS 76 0.342 5.349 17.308 1287 HE1 HIS 76 HE1 HIS 76 -0.708 2.894 14.013 1288 HE2 HIS 76 HE2 HIS 76 1.091 4.269 15.091 1289 H HIS 77 H HIS 77 -3.001 3.515 21.652 1290 HA HIS 77 HA HIS 77 -4.199 6.094 22.348 1291 HB2 HIS 77 2HB HIS 77 -4.104 3.457 23.888 1292 HB3 HIS 77 1HB HIS 77 -4.915 4.909 24.460 1293 HD1 HIS 77 HD1 HIS 77 -6.589 5.762 22.088 1294 HD2 HIS 77 HD2 HIS 77 -6.099 1.782 23.175 1295 HE1 HIS 77 HE1 HIS 77 -8.549 4.537 21.101 1296 HE2 HIS 77 HE2 HIS 77 -8.302 2.169 21.897 1297 H HIS 78 H HIS 78 -2.160 7.244 22.304 1298 HA HIS 78 HA HIS 78 -0.345 6.791 24.613 1299 HB2 HIS 78 2HB HIS 78 0.743 6.743 22.378 1300 HB3 HIS 78 1HB HIS 78 0.125 8.350 22.022 1301 HD1 HIS 78 HD1 HIS 78 2.275 9.632 21.854 1302 HD2 HIS 78 HD2 HIS 78 2.103 7.339 25.321 1303 HE1 HIS 78 HE1 HIS 78 4.290 10.292 23.197 1304 HE2 HIS 78 HE2 HIS 78 4.092 8.988 25.342 1305 H HIS 79 H HIS 79 -1.848 9.434 22.717 1306 HA HIS 79 HA HIS 79 -2.977 10.658 25.050 1307 HB2 HIS 79 2HB HIS 79 -1.876 12.848 24.923 1308 HB3 HIS 79 1HB HIS 79 -0.668 11.602 25.185 1309 HD1 HIS 79 HD1 HIS 79 -1.976 13.857 22.424 1310 HD2 HIS 79 HD2 HIS 79 1.395 11.621 23.361 1311 HE1 HIS 79 HE1 HIS 79 -0.264 14.484 20.712 1312 HE2 HIS 79 HE2 HIS 79 1.727 13.038 21.226 1313 H HIS 80 H HIS 80 -3.706 13.142 24.026 1314 HA HIS 80 HA HIS 80 -4.897 12.614 21.373 1315 HB2 HIS 80 2HB HIS 80 -6.936 13.927 22.117 1316 HB3 HIS 80 1HB HIS 80 -6.736 12.366 22.899 1317 HD1 HIS 80 HD1 HIS 80 -6.765 16.033 23.602 1318 HD2 HIS 80 HD2 HIS 80 -6.296 12.482 25.682 1319 HE1 HIS 80 HE1 HIS 80 -6.958 16.645 26.032 1320 HE2 HIS 80 HE2 HIS 80 -6.529 14.493 27.268 Start of MODEL 17 1 H1 MET 1 1H MET 1 20.160 14.096 -4.567 2 H2 MET 1 2H MET 1 20.333 14.982 -5.991 3 H3 MET 1 3H MET 1 20.370 15.772 -4.501 4 HA MET 1 HA MET 1 22.567 15.585 -5.400 5 HB2 MET 1 2HB MET 1 22.251 15.521 -2.942 6 HB3 MET 1 1HB MET 1 22.088 13.775 -2.997 7 HG2 MET 1 2HG MET 1 24.434 13.584 -3.733 8 HG3 MET 1 1HG MET 1 24.592 15.343 -3.660 9 HE1 MET 1 3HE MET 1 26.679 14.051 -0.532 10 HE2 MET 1 1HE MET 1 26.745 15.080 -1.962 11 HE3 MET 1 2HE MET 1 26.567 13.333 -2.139 12 H ALA 2 H ALA 2 20.834 12.502 -5.291 13 HA ALA 2 HA ALA 2 22.875 11.260 -7.059 14 HB1 ALA 2 3HB ALA 2 22.642 9.132 -5.866 15 HB2 ALA 2 1HB ALA 2 21.481 9.851 -4.747 16 HB3 ALA 2 2HB ALA 2 23.159 10.394 -4.749 17 H ASP 3 H ASP 3 22.122 9.613 -8.444 18 HA ASP 3 HA ASP 3 19.419 9.896 -9.481 19 HB2 ASP 3 2HB ASP 3 21.592 7.943 -10.391 20 HB3 ASP 3 1HB ASP 3 20.171 8.438 -11.306 21 H LYS 4 H LYS 4 20.788 8.077 -7.085 22 HA LYS 4 HA LYS 4 18.855 5.824 -7.276 23 HB2 LYS 4 2HB LYS 4 21.127 5.037 -7.755 24 HB3 LYS 4 1HB LYS 4 21.745 5.803 -6.299 25 HG2 LYS 4 2HG LYS 4 20.501 4.216 -4.899 26 HG3 LYS 4 1HG LYS 4 19.766 3.494 -6.334 27 HD2 LYS 4 2HD LYS 4 21.636 2.110 -5.487 28 HD3 LYS 4 1HD LYS 4 21.971 2.726 -7.106 29 HE2 LYS 4 2HE LYS 4 23.359 4.539 -6.066 30 HE3 LYS 4 1HE LYS 4 23.089 3.787 -4.492 31 HZ1 LYS 4 3HZ LYS 4 24.171 1.797 -5.292 32 HZ2 LYS 4 1HZ LYS 4 25.195 3.128 -5.453 33 HZ3 LYS 4 2HZ LYS 4 24.412 2.496 -6.809 34 H LEU 5 H LEU 5 17.948 5.125 -5.276 35 HA LEU 5 HA LEU 5 18.096 7.069 -3.049 36 HB2 LEU 5 2HB LEU 5 16.072 4.831 -3.502 37 HB3 LEU 5 1HB LEU 5 16.010 6.039 -2.224 38 HG LEU 5 HG LEU 5 15.562 6.491 -5.205 39 HD11 LEU 5 1HD1 LEU 5 13.320 7.208 -4.523 40 HD12 LEU 5 2HD1 LEU 5 13.706 6.859 -2.834 41 HD13 LEU 5 3HD1 LEU 5 13.644 5.550 -4.019 42 HD21 LEU 5 3HD2 LEU 5 15.172 8.868 -4.696 43 HD22 LEU 5 1HD2 LEU 5 16.836 8.397 -4.357 44 HD23 LEU 5 2HD2 LEU 5 15.693 8.606 -3.027 45 H LYS 6 H LYS 6 17.945 6.166 -0.856 46 HA LYS 6 HA LYS 6 19.192 3.527 -0.405 47 HB2 LYS 6 2HB LYS 6 19.770 6.121 1.111 48 HB3 LYS 6 1HB LYS 6 20.276 4.530 1.668 49 HG2 LYS 6 2HG LYS 6 21.207 5.923 -0.861 50 HG3 LYS 6 1HG LYS 6 22.139 5.724 0.623 51 HD2 LYS 6 2HD LYS 6 21.210 3.496 -1.234 52 HD3 LYS 6 1HD LYS 6 22.857 4.104 -1.083 53 HE2 LYS 6 2HE LYS 6 21.298 2.674 1.108 54 HE3 LYS 6 1HE LYS 6 22.563 1.960 0.111 55 HZ1 LYS 6 3HZ LYS 6 24.147 3.485 1.047 56 HZ2 LYS 6 1HZ LYS 6 23.378 2.629 2.280 57 HZ3 LYS 6 2HZ LYS 6 22.951 4.235 1.977 58 H PHE 7 H PHE 7 18.442 2.533 1.665 59 HA PHE 7 HA PHE 7 15.989 3.722 2.795 60 HB2 PHE 7 2HB PHE 7 14.898 1.468 2.741 61 HB3 PHE 7 1HB PHE 7 15.206 2.103 1.135 62 HD1 PHE 7 HD1 PHE 7 16.969 1.057 -0.315 63 HD2 PHE 7 HD2 PHE 7 15.994 -0.584 3.525 64 HE1 PHE 7 HE1 PHE 7 18.088 -1.053 -0.923 65 HE2 PHE 7 HE2 PHE 7 17.119 -2.679 2.901 66 HZ PHE 7 HZ PHE 7 18.161 -2.918 0.685 67 H GLU 8 H GLU 8 15.788 3.436 5.030 68 HA GLU 8 HA GLU 8 17.479 1.456 6.399 69 HB2 GLU 8 2HB GLU 8 18.617 3.633 6.658 70 HB3 GLU 8 1HB GLU 8 17.114 4.389 7.181 71 HG2 GLU 8 2HG GLU 8 17.103 2.983 9.216 72 HG3 GLU 8 1HG GLU 8 18.594 2.198 8.691 73 H ILE 9 H ILE 9 16.097 0.185 7.482 74 HA ILE 9 HA ILE 9 13.294 0.908 7.722 75 HB ILE 9 HB ILE 9 14.732 -1.656 8.533 76 HG12 ILE 9 2HG1 ILE 9 12.964 -0.981 6.134 77 HG13 ILE 9 1HG1 ILE 9 14.701 -1.251 6.090 78 HG21 ILE 9 1HG2 ILE 9 12.702 -1.334 9.930 79 HG22 ILE 9 2HG2 ILE 9 12.491 -2.675 8.802 80 HG23 ILE 9 3HG2 ILE 9 11.734 -1.117 8.469 81 HD11 ILE 9 3HD1 ILE 9 14.340 -3.583 6.745 82 HD12 ILE 9 1HD1 ILE 9 13.522 -3.160 5.243 83 HD13 ILE 9 2HD1 ILE 9 12.595 -3.308 6.734 84 H ILE 10 H ILE 10 12.689 2.131 9.271 85 HA ILE 10 HA ILE 10 14.171 2.589 11.729 86 HB ILE 10 HB ILE 10 11.582 3.823 10.668 87 HG12 ILE 10 2HG1 ILE 10 13.525 4.323 9.219 88 HG13 ILE 10 1HG1 ILE 10 12.974 5.777 10.040 89 HG21 ILE 10 1HG2 ILE 10 11.658 4.059 13.106 90 HG22 ILE 10 2HG2 ILE 10 11.918 5.629 12.343 91 HG23 ILE 10 3HG2 ILE 10 13.284 4.738 13.017 92 HD11 ILE 10 3HD1 ILE 10 14.843 5.540 11.643 93 HD12 ILE 10 1HD1 ILE 10 15.372 5.702 9.968 94 HD13 ILE 10 2HD1 ILE 10 15.393 4.121 10.743 95 H GLU 11 H GLU 11 11.070 1.240 10.668 96 HA GLU 11 HA GLU 11 10.762 -0.313 13.127 97 HB2 GLU 11 2HB GLU 11 9.632 1.832 13.638 98 HB3 GLU 11 1HB GLU 11 8.707 1.731 12.145 99 HG2 GLU 11 2HG GLU 11 7.289 1.160 14.035 100 HG3 GLU 11 1HG GLU 11 7.527 -0.260 13.017 101 H GLU 12 H GLU 12 9.581 -2.240 12.709 102 HA GLU 12 HA GLU 12 8.226 -2.529 10.081 103 HB2 GLU 12 2HB GLU 12 9.359 -4.630 11.972 104 HB3 GLU 12 1HB GLU 12 8.374 -5.022 10.562 105 HG2 GLU 12 2HG GLU 12 10.045 -4.071 9.065 106 HG3 GLU 12 1HG GLU 12 10.998 -3.505 10.437 107 H LEU 13 H LEU 13 6.070 -2.883 10.029 108 HA LEU 13 HA LEU 13 4.662 -2.483 12.616 109 HB2 LEU 13 2HB LEU 13 3.782 -1.840 9.779 110 HB3 LEU 13 1HB LEU 13 2.824 -1.536 11.219 111 HG LEU 13 HG LEU 13 5.480 -0.195 10.564 112 HD11 LEU 13 1HD1 LEU 13 2.662 0.915 10.475 113 HD12 LEU 13 2HD1 LEU 13 3.698 0.558 9.089 114 HD13 LEU 13 3HD1 LEU 13 4.152 1.830 10.216 115 HD21 LEU 13 3HD2 LEU 13 3.578 0.306 12.881 116 HD22 LEU 13 1HD2 LEU 13 5.000 1.277 12.481 117 HD23 LEU 13 2HD2 LEU 13 5.194 -0.399 12.982 118 H ILE 14 H ILE 14 4.072 -4.078 9.463 119 HA ILE 14 HA ILE 14 2.547 -6.263 10.755 120 HB ILE 14 HB ILE 14 1.435 -4.725 8.343 121 HG12 ILE 14 2HG1 ILE 14 0.406 -4.527 11.205 122 HG13 ILE 14 1HG1 ILE 14 1.362 -3.286 10.408 123 HG21 ILE 14 1HG2 ILE 14 0.134 -6.836 10.103 124 HG22 ILE 14 2HG2 ILE 14 0.732 -7.087 8.462 125 HG23 ILE 14 3HG2 ILE 14 -0.640 -6.013 8.744 126 HD11 ILE 14 3HD1 ILE 14 -0.991 -2.725 10.437 127 HD12 ILE 14 1HD1 ILE 14 -1.386 -4.196 9.549 128 HD13 ILE 14 2HD1 ILE 14 -0.414 -2.935 8.787 129 H VAL 15 H VAL 15 3.089 -8.225 9.765 130 HA VAL 15 HA VAL 15 4.157 -8.186 6.999 131 HB VAL 15 HB VAL 15 3.965 -10.582 8.886 132 HG11 VAL 15 1HG1 VAL 15 5.540 -11.681 7.309 133 HG12 VAL 15 2HG1 VAL 15 5.482 -10.259 6.264 134 HG13 VAL 15 3HG1 VAL 15 4.030 -11.232 6.508 135 HG21 VAL 15 3HG2 VAL 15 5.504 -8.917 9.836 136 HG22 VAL 15 1HG2 VAL 15 6.384 -8.836 8.308 137 HG23 VAL 15 2HG2 VAL 15 6.399 -10.323 9.256 138 H LEU 16 H LEU 16 2.810 -8.665 5.351 139 HA LEU 16 HA LEU 16 0.011 -9.348 5.957 140 HB2 LEU 16 2HB LEU 16 1.260 -8.409 3.346 141 HB3 LEU 16 1HB LEU 16 -0.461 -8.584 3.664 142 HG LEU 16 HG LEU 16 1.395 -6.585 5.011 143 HD11 LEU 16 1HD1 LEU 16 -0.797 -6.135 2.962 144 HD12 LEU 16 2HD1 LEU 16 0.943 -5.978 2.695 145 HD13 LEU 16 3HD1 LEU 16 0.123 -4.874 3.796 146 HD21 LEU 16 3HD2 LEU 16 -0.348 -7.339 6.552 147 HD22 LEU 16 1HD2 LEU 16 -1.596 -6.960 5.360 148 HD23 LEU 16 2HD2 LEU 16 -0.615 -5.672 6.063 149 H SER 17 H SER 17 2.850 -10.680 4.340 150 HA SER 17 HA SER 17 1.902 -13.263 3.941 151 HB2 SER 17 2HB SER 17 0.332 -12.202 2.306 152 HB3 SER 17 1HB SER 17 1.703 -11.606 1.381 153 HG SER 17 HG SER 17 0.750 -13.570 0.589 154 H GLU 18 H GLU 18 3.260 -14.531 2.493 155 HA GLU 18 HA GLU 18 6.026 -13.543 2.141 156 HB2 GLU 18 2HB GLU 18 5.924 -14.705 4.322 157 HB3 GLU 18 1HB GLU 18 5.198 -16.119 3.562 158 HG2 GLU 18 2HG GLU 18 7.278 -16.454 2.239 159 HG3 GLU 18 1HG GLU 18 7.992 -15.056 3.041 160 H ASN 19 H ASN 19 7.079 -14.430 0.355 161 HA ASN 19 HA ASN 19 5.299 -15.848 -1.582 162 HB2 ASN 19 2HB ASN 19 6.638 -13.740 -2.134 163 HB3 ASN 19 1HB ASN 19 8.093 -14.711 -2.056 164 HD21 ASN 19 1HD2 ASN 19 6.856 -13.116 -4.214 165 HD22 ASN 19 2HD2 ASN 19 6.724 -14.188 -5.566 166 H ALA 20 H ALA 20 6.166 -17.694 -2.851 167 HA ALA 20 HA ALA 20 7.428 -19.808 -1.522 168 HB1 ALA 20 3HB ALA 20 6.119 -20.081 -3.596 169 HB2 ALA 20 1HB ALA 20 7.715 -20.815 -3.757 170 HB3 ALA 20 2HB ALA 20 7.379 -19.253 -4.514 171 H LYS 21 H LYS 21 8.796 -17.397 -3.761 172 HA LYS 21 HA LYS 21 11.551 -17.974 -3.470 173 HB2 LYS 21 2HB LYS 21 10.231 -15.280 -4.040 174 HB3 LYS 21 1HB LYS 21 11.913 -15.684 -4.369 175 HG2 LYS 21 2HG LYS 21 9.493 -16.954 -5.687 176 HG3 LYS 21 1HG LYS 21 10.549 -15.738 -6.413 177 HD2 LYS 21 2HD LYS 21 12.463 -17.350 -6.240 178 HD3 LYS 21 1HD LYS 21 11.356 -18.564 -5.593 179 HE2 LYS 21 2HE LYS 21 10.097 -18.570 -7.691 180 HE3 LYS 21 1HE LYS 21 11.120 -17.282 -8.336 181 HZ1 LYS 21 3HZ LYS 21 13.022 -18.795 -8.138 182 HZ2 LYS 21 1HZ LYS 21 11.831 -19.401 -9.175 183 HZ3 LYS 21 2HZ LYS 21 11.991 -20.027 -7.614 184 H GLY 22 H GLY 22 9.338 -16.501 -1.331 185 HA2 GLY 22 2HA GLY 22 9.885 -16.364 1.013 186 HA3 GLY 22 1HA GLY 22 11.431 -15.643 0.586 187 H TRP 23 H TRP 23 10.097 -14.079 -1.593 188 HA TRP 23 HA TRP 23 10.280 -11.604 -0.510 189 HB2 TRP 23 2HB TRP 23 8.738 -12.561 -2.948 190 HB3 TRP 23 1HB TRP 23 8.736 -10.858 -2.507 191 HD1 TRP 23 HD1 TRP 23 11.487 -13.566 -3.095 192 HE1 TRP 23 HE1 TRP 23 13.421 -12.460 -4.336 193 HE3 TRP 23 HE3 TRP 23 9.617 -8.814 -3.377 194 HZ2 TRP 23 HZ2 TRP 23 14.082 -9.880 -5.342 195 HZ3 TRP 23 HZ3 TRP 23 10.956 -7.085 -4.506 196 HH2 TRP 23 HH2 TRP 23 13.145 -7.612 -5.469 197 H ARG 24 H ARG 24 9.236 -10.578 1.080 198 HA ARG 24 HA ARG 24 6.541 -11.476 1.850 199 HB2 ARG 24 2HB ARG 24 8.729 -10.038 3.423 200 HB3 ARG 24 1HB ARG 24 7.117 -10.371 4.054 201 HG2 ARG 24 2HG ARG 24 7.537 -12.800 3.790 202 HG3 ARG 24 1HG ARG 24 9.168 -12.442 3.213 203 HD2 ARG 24 2HD ARG 24 9.730 -11.419 5.370 204 HD3 ARG 24 1HD ARG 24 8.081 -11.699 5.952 205 HE ARG 24 HE ARG 24 8.874 -14.181 5.255 206 HH11 ARG 24 1HH1 ARG 24 10.412 -11.773 7.301 207 HH12 ARG 24 2HH1 ARG 24 11.201 -12.956 8.294 208 HH21 ARG 24 1HH2 ARG 24 9.887 -15.706 6.565 209 HH22 ARG 24 2HH2 ARG 24 10.905 -15.184 7.878 210 H LYS 25 H LYS 25 4.878 -10.128 1.430 211 HA LYS 25 HA LYS 25 5.446 -7.273 0.937 212 HB2 LYS 25 2HB LYS 25 3.069 -7.031 0.357 213 HB3 LYS 25 1HB LYS 25 3.854 -8.262 -0.619 214 HG2 LYS 25 2HG LYS 25 2.751 -10.034 0.599 215 HG3 LYS 25 1HG LYS 25 2.114 -8.886 1.782 216 HD2 LYS 25 2HD LYS 25 0.385 -9.559 0.160 217 HD3 LYS 25 1HD LYS 25 0.724 -7.831 0.057 218 HE2 LYS 25 2HE LYS 25 2.084 -8.195 -1.952 219 HE3 LYS 25 1HE LYS 25 1.849 -9.941 -1.820 220 HZ1 LYS 25 3HZ LYS 25 0.377 -8.893 -3.446 221 HZ2 LYS 25 1HZ LYS 25 -0.320 -7.965 -2.219 222 HZ3 LYS 25 2HZ LYS 25 -0.489 -9.647 -2.202 223 H GLU 26 H GLU 26 5.520 -6.015 2.589 224 HA GLU 26 HA GLU 26 3.780 -6.398 4.932 225 HB2 GLU 26 2HB GLU 26 5.827 -5.985 6.411 226 HB3 GLU 26 1HB GLU 26 5.744 -7.544 5.611 227 HG2 GLU 26 2HG GLU 26 7.977 -7.032 5.319 228 HG3 GLU 26 1HG GLU 26 7.309 -6.419 3.812 229 H LEU 27 H LEU 27 3.782 -4.600 6.367 230 HA LEU 27 HA LEU 27 4.245 -1.967 5.140 231 HB2 LEU 27 2HB LEU 27 1.894 -2.375 5.669 232 HB3 LEU 27 1HB LEU 27 2.303 -2.886 7.298 233 HG LEU 27 HG LEU 27 2.999 -0.582 7.873 234 HD11 LEU 27 1HD1 LEU 27 3.799 0.201 5.711 235 HD12 LEU 27 2HD1 LEU 27 2.599 1.314 6.371 236 HD13 LEU 27 3HD1 LEU 27 2.149 0.202 5.076 237 HD21 LEU 27 3HD2 LEU 27 0.222 -0.697 6.685 238 HD22 LEU 27 1HD2 LEU 27 0.788 0.446 7.906 239 HD23 LEU 27 2HD2 LEU 27 0.695 -1.271 8.286 240 H ASN 28 H ASN 28 5.861 -0.866 5.997 241 HA ASN 28 HA ASN 28 6.703 -1.201 8.810 242 HB2 ASN 28 2HB ASN 28 9.083 -1.123 8.056 243 HB3 ASN 28 1HB ASN 28 8.241 -2.527 7.413 244 HD21 ASN 28 1HD2 ASN 28 9.724 -2.760 5.722 245 HD22 ASN 28 2HD2 ASN 28 9.768 -1.687 4.372 246 H ARG 29 H ARG 29 8.380 0.677 9.245 247 HA ARG 29 HA ARG 29 7.863 3.103 7.654 248 HB2 ARG 29 2HB ARG 29 8.800 2.922 10.553 249 HB3 ARG 29 1HB ARG 29 8.602 4.414 9.633 250 HG2 ARG 29 2HG ARG 29 6.143 3.791 9.372 251 HG3 ARG 29 1HG ARG 29 6.425 2.505 10.547 252 HD2 ARG 29 2HD ARG 29 5.480 4.465 11.650 253 HD3 ARG 29 1HD ARG 29 7.137 4.210 12.200 254 HE ARG 29 HE ARG 29 7.152 6.001 10.019 255 HH11 ARG 29 1HH1 ARG 29 6.206 5.953 13.414 256 HH12 ARG 29 2HH1 ARG 29 6.435 7.659 13.614 257 HH21 ARG 29 1HH2 ARG 29 7.443 8.236 10.328 258 HH22 ARG 29 2HH2 ARG 29 7.131 8.937 11.882 259 H VAL 30 H VAL 30 9.507 3.744 6.458 260 HA VAL 30 HA VAL 30 12.282 2.870 7.007 261 HB VAL 30 HB VAL 30 10.892 3.232 4.299 262 HG11 VAL 30 1HG1 VAL 30 13.807 2.556 4.813 263 HG12 VAL 30 2HG1 VAL 30 13.197 4.055 4.111 264 HG13 VAL 30 3HG1 VAL 30 13.017 2.535 3.231 265 HG21 VAL 30 3HG2 VAL 30 11.349 0.832 3.946 266 HG22 VAL 30 1HG2 VAL 30 10.357 1.086 5.385 267 HG23 VAL 30 2HG2 VAL 30 12.077 0.730 5.550 268 H SER 31 H SER 31 13.909 4.391 6.510 269 HA SER 31 HA SER 31 13.193 7.215 6.144 270 HB2 SER 31 2HB SER 31 14.424 6.867 8.240 271 HB3 SER 31 1HB SER 31 15.644 5.891 7.419 272 HG SER 31 HG SER 31 16.209 8.131 7.810 273 H TRP 32 H TRP 32 13.507 7.761 4.083 274 HA TRP 32 HA TRP 32 15.203 6.162 2.297 275 HB2 TRP 32 2HB TRP 32 13.146 8.354 1.726 276 HB3 TRP 32 1HB TRP 32 14.127 7.585 0.482 277 HD1 TRP 32 HD1 TRP 32 10.915 7.074 2.427 278 HE1 TRP 32 HE1 TRP 32 9.824 4.852 1.659 279 HE3 TRP 32 HE3 TRP 32 14.834 5.062 -0.214 280 HZ2 TRP 32 HZ2 TRP 32 10.546 2.556 0.230 281 HZ3 TRP 32 HZ3 TRP 32 14.549 2.842 -1.245 282 HH2 TRP 32 HH2 TRP 32 12.444 1.615 -1.025 283 H ASN 33 H ASN 33 17.232 6.748 2.159 284 HA ASN 33 HA ASN 33 19.193 7.865 2.061 285 HB2 ASN 33 2HB ASN 33 17.469 10.143 0.991 286 HB3 ASN 33 1HB ASN 33 19.223 10.029 0.821 287 HD21 ASN 33 1HD2 ASN 33 16.156 8.922 -0.306 288 HD22 ASN 33 2HD2 ASN 33 16.748 8.006 -1.642 289 H ASP 34 H ASP 34 18.159 7.777 4.577 290 HA ASP 34 HA ASP 34 18.250 8.565 6.682 291 HB2 ASP 34 2HB ASP 34 20.684 8.753 5.835 292 HB3 ASP 34 1HB ASP 34 20.400 10.485 5.705 293 H ALA 35 H ALA 35 16.376 9.902 4.868 294 HA ALA 35 HA ALA 35 16.110 12.624 5.959 295 HB1 ALA 35 3HB ALA 35 14.292 12.877 4.301 296 HB2 ALA 35 1HB ALA 35 14.481 11.185 3.831 297 HB3 ALA 35 2HB ALA 35 15.788 12.332 3.539 298 H GLU 36 H GLU 36 13.442 12.986 6.140 299 HA GLU 36 HA GLU 36 12.556 12.209 8.558 300 HB2 GLU 36 2HB GLU 36 10.728 12.603 6.155 301 HB3 GLU 36 1HB GLU 36 10.280 12.808 7.847 302 HG2 GLU 36 2HG GLU 36 11.933 14.689 8.009 303 HG3 GLU 36 1HG GLU 36 12.243 14.512 6.280 304 HA PRO 37 HA PRO 37 11.582 7.758 8.136 305 HB2 PRO 37 2HB PRO 37 10.674 7.347 10.699 306 HB3 PRO 37 1HB PRO 37 12.400 7.503 10.319 307 HG2 PRO 37 2HG PRO 37 10.534 9.574 11.427 308 HG3 PRO 37 1HG PRO 37 12.205 9.199 11.902 309 HD2 PRO 37 2HD PRO 37 11.595 11.298 10.272 310 HD3 PRO 37 1HD PRO 37 13.131 10.413 10.147 311 H LYS 38 H LYS 38 9.752 6.987 7.207 312 HA LYS 38 HA LYS 38 7.074 7.887 7.999 313 HB2 LYS 38 2HB LYS 38 6.504 8.450 5.611 314 HB3 LYS 38 1HB LYS 38 7.699 9.540 6.310 315 HG2 LYS 38 2HG LYS 38 9.493 8.162 5.145 316 HG3 LYS 38 1HG LYS 38 8.195 7.297 4.331 317 HD2 LYS 38 2HD LYS 38 9.060 9.046 2.871 318 HD3 LYS 38 1HD LYS 38 7.406 9.431 3.346 319 HE2 LYS 38 2HE LYS 38 8.293 11.010 5.059 320 HE3 LYS 38 1HE LYS 38 9.934 10.643 4.520 321 HZ1 LYS 38 3HZ LYS 38 9.390 11.519 2.349 322 HZ2 LYS 38 1HZ LYS 38 9.086 12.685 3.539 323 HZ3 LYS 38 2HZ LYS 38 7.803 11.838 2.833 324 H TYR 39 H TYR 39 5.432 6.638 6.506 325 HA TYR 39 HA TYR 39 5.984 3.847 7.000 326 HB2 TYR 39 2HB TYR 39 3.530 5.175 5.757 327 HB3 TYR 39 1HB TYR 39 3.613 3.515 6.344 328 HD1 TYR 39 HD1 TYR 39 3.410 7.074 7.369 329 HD2 TYR 39 HD2 TYR 39 3.613 3.040 8.753 330 HE1 TYR 39 HE1 TYR 39 2.814 7.806 9.627 331 HE2 TYR 39 HE2 TYR 39 3.002 3.794 11.012 332 HH TYR 39 HH TYR 39 1.793 6.863 11.659 333 H ASP 40 H ASP 40 6.182 2.263 5.475 334 HA ASP 40 HA ASP 40 5.764 2.848 2.604 335 HB2 ASP 40 2HB ASP 40 8.267 3.060 3.258 336 HB3 ASP 40 1HB ASP 40 8.248 1.323 3.534 337 H ILE 41 H ILE 41 4.968 1.129 1.463 338 HA ILE 41 HA ILE 41 4.435 -1.420 2.862 339 HB ILE 41 HB ILE 41 2.353 -0.280 3.241 340 HG12 ILE 41 2HG1 ILE 41 1.989 -2.169 0.871 341 HG13 ILE 41 1HG1 ILE 41 2.149 -2.654 2.554 342 HG21 ILE 41 1HG2 ILE 41 0.957 0.766 1.511 343 HG22 ILE 41 2HG2 ILE 41 2.201 0.438 0.304 344 HG23 ILE 41 3HG2 ILE 41 2.535 1.555 1.628 345 HD11 ILE 41 3HD1 ILE 41 0.026 -1.510 3.056 346 HD12 ILE 41 1HD1 ILE 41 -0.146 -2.789 1.854 347 HD13 ILE 41 2HD1 ILE 41 -0.137 -1.100 1.346 348 H ARG 42 H ARG 42 5.218 -2.932 1.660 349 HA ARG 42 HA ARG 42 5.568 -2.727 -1.243 350 HB2 ARG 42 2HB ARG 42 7.226 -1.129 -0.047 351 HB3 ARG 42 1HB ARG 42 8.033 -2.573 0.547 352 HG2 ARG 42 2HG ARG 42 8.560 -3.242 -1.756 353 HG3 ARG 42 1HG ARG 42 7.669 -1.847 -2.373 354 HD2 ARG 42 2HD ARG 42 9.322 -0.473 -0.833 355 HD3 ARG 42 1HD ARG 42 10.313 -1.930 -0.941 356 HE ARG 42 HE ARG 42 10.185 -1.626 -3.420 357 HH11 ARG 42 1HH1 ARG 42 9.721 1.127 -1.303 358 HH12 ARG 42 2HH1 ARG 42 10.245 2.283 -2.486 359 HH21 ARG 42 1HH2 ARG 42 10.861 -0.101 -4.984 360 HH22 ARG 42 2HH2 ARG 42 10.894 1.580 -4.575 361 H THR 43 H THR 43 6.980 -4.609 -2.089 362 HA THR 43 HA THR 43 6.887 -6.928 -0.292 363 HB THR 43 HB THR 43 7.168 -6.886 -3.334 364 HG1 THR 43 HG1 THR 43 5.071 -6.160 -2.398 365 HG21 THR 43 3HG2 THR 43 8.112 -8.917 -2.277 366 HG22 THR 43 1HG2 THR 43 6.622 -9.311 -3.147 367 HG23 THR 43 2HG2 THR 43 6.607 -9.163 -1.387 368 H TRP 44 H TRP 44 8.799 -7.450 0.497 369 HA TRP 44 HA TRP 44 11.336 -6.518 -0.723 370 HB2 TRP 44 2HB TRP 44 10.680 -7.006 2.220 371 HB3 TRP 44 1HB TRP 44 12.253 -6.536 1.597 372 HD1 TRP 44 HD1 TRP 44 8.705 -5.061 2.119 373 HE1 TRP 44 HE1 TRP 44 8.971 -2.511 2.446 374 HE3 TRP 44 HE3 TRP 44 13.673 -4.583 1.014 375 HZ2 TRP 44 HZ2 TRP 44 10.951 -0.564 2.170 376 HZ3 TRP 44 HZ3 TRP 44 14.673 -2.335 1.053 377 HH2 TRP 44 HH2 TRP 44 13.342 -0.360 1.620 378 H SER 45 H SER 45 13.196 -7.953 0.146 379 HA SER 45 HA SER 45 12.755 -10.781 -0.062 380 HB2 SER 45 2HB SER 45 15.091 -9.234 1.147 381 HB3 SER 45 1HB SER 45 15.106 -10.963 0.793 382 HG SER 45 HG SER 45 14.650 -10.343 -1.414 383 HA PRO 46 HA PRO 46 11.931 -11.789 4.405 384 HB2 PRO 46 2HB PRO 46 13.561 -14.033 4.700 385 HB3 PRO 46 1HB PRO 46 11.936 -14.083 3.986 386 HG2 PRO 46 2HG PRO 46 14.594 -13.965 2.590 387 HG3 PRO 46 1HG PRO 46 13.176 -14.972 2.214 388 HD2 PRO 46 2HD PRO 46 13.700 -12.751 0.793 389 HD3 PRO 46 1HD PRO 46 12.023 -13.198 1.186 390 H ASP 47 H ASP 47 15.062 -11.369 2.970 391 HA ASP 47 HA ASP 47 16.453 -10.721 5.455 392 HB2 ASP 47 2HB ASP 47 17.445 -10.602 2.574 393 HB3 ASP 47 1HB ASP 47 18.445 -10.503 4.017 394 H HIS 48 H HIS 48 14.412 -9.060 3.350 395 HA HIS 48 HA HIS 48 14.012 -6.958 2.666 396 HB2 HIS 48 2HB HIS 48 15.474 -6.349 5.247 397 HB3 HIS 48 1HB HIS 48 14.748 -5.070 4.277 398 HD1 HIS 48 HD1 HIS 48 13.963 -7.165 7.076 399 HD2 HIS 48 HD2 HIS 48 11.839 -5.649 3.861 400 HE1 HIS 48 HE1 HIS 48 11.550 -7.232 7.754 401 HE2 HIS 48 HE2 HIS 48 10.318 -6.113 5.882 402 H GLU 49 H GLU 49 16.607 -8.232 1.793 403 HA GLU 49 HA GLU 49 18.455 -6.029 1.363 404 HB2 GLU 49 2HB GLU 49 19.870 -7.680 0.211 405 HB3 GLU 49 1HB GLU 49 19.350 -8.291 1.778 406 HG2 GLU 49 2HG GLU 49 17.643 -9.701 0.683 407 HG3 GLU 49 1HG GLU 49 18.116 -9.063 -0.892 408 H LYS 50 H LYS 50 15.829 -7.520 -0.331 409 HA LYS 50 HA LYS 50 16.305 -5.825 -2.711 410 HB2 LYS 50 2HB LYS 50 15.044 -8.599 -2.614 411 HB3 LYS 50 1HB LYS 50 15.036 -7.571 -4.031 412 HG2 LYS 50 2HG LYS 50 17.672 -8.416 -2.816 413 HG3 LYS 50 1HG LYS 50 16.759 -9.543 -3.818 414 HD2 LYS 50 2HD LYS 50 18.341 -8.469 -5.262 415 HD3 LYS 50 1HD LYS 50 16.762 -7.799 -5.653 416 HE2 LYS 50 2HE LYS 50 17.314 -5.803 -4.266 417 HE3 LYS 50 1HE LYS 50 18.922 -6.469 -3.982 418 HZ1 LYS 50 3HZ LYS 50 17.783 -5.686 -6.606 419 HZ2 LYS 50 1HZ LYS 50 19.294 -6.400 -6.383 420 HZ3 LYS 50 2HZ LYS 50 18.985 -4.866 -5.746 421 H MET 51 H MET 51 14.301 -5.255 -3.812 422 HA MET 51 HA MET 51 11.791 -5.282 -2.373 423 HB2 MET 51 2HB MET 51 11.598 -2.797 -2.300 424 HB3 MET 51 1HB MET 51 12.839 -3.421 -1.235 425 HG2 MET 51 2HG MET 51 14.575 -2.721 -2.848 426 HG3 MET 51 1HG MET 51 13.316 -2.081 -3.910 427 HE1 MET 51 3HE MET 51 15.063 1.146 -2.384 428 HE2 MET 51 1HE MET 51 14.691 0.281 -3.874 429 HE3 MET 51 2HE MET 51 15.867 -0.383 -2.736 430 H GLY 52 H GLY 52 10.124 -3.979 -3.625 431 HA2 GLY 52 2HA GLY 52 10.574 -3.702 -6.491 432 HA3 GLY 52 1HA GLY 52 9.575 -5.069 -6.010 433 H LYS 53 H LYS 53 7.525 -4.495 -6.583 434 HA LYS 53 HA LYS 53 6.518 -1.881 -6.738 435 HB2 LYS 53 2HB LYS 53 5.102 -4.569 -6.561 436 HB3 LYS 53 1HB LYS 53 4.215 -3.059 -6.742 437 HG2 LYS 53 2HG LYS 53 6.264 -4.153 -8.694 438 HG3 LYS 53 1HG LYS 53 4.509 -4.194 -8.895 439 HD2 LYS 53 2HD LYS 53 4.453 -1.714 -8.934 440 HD3 LYS 53 1HD LYS 53 6.206 -1.666 -8.718 441 HE2 LYS 53 2HE LYS 53 4.705 -2.785 -11.109 442 HE3 LYS 53 1HE LYS 53 5.662 -1.303 -11.060 443 HZ1 LYS 53 3HZ LYS 53 6.925 -3.048 -12.076 444 HZ2 LYS 53 1HZ LYS 53 6.686 -4.075 -10.754 445 HZ3 LYS 53 2HZ LYS 53 7.626 -2.679 -10.586 446 H GLY 54 H GLY 54 6.078 -0.491 -5.176 447 HA2 GLY 54 2HA GLY 54 4.386 -1.043 -2.987 448 HA3 GLY 54 1HA GLY 54 6.063 -0.871 -2.467 449 H ILE 55 H ILE 55 4.558 0.922 -1.414 450 HA ILE 55 HA ILE 55 5.079 3.437 -2.817 451 HB ILE 55 HB ILE 55 2.872 2.815 -3.675 452 HG12 ILE 55 2HG1 ILE 55 2.579 5.053 -1.629 453 HG13 ILE 55 1HG1 ILE 55 3.265 5.222 -3.239 454 HG21 ILE 55 1HG2 ILE 55 2.155 1.279 -1.894 455 HG22 ILE 55 2HG2 ILE 55 0.899 2.465 -2.258 456 HG23 ILE 55 3HG2 ILE 55 1.892 2.649 -0.811 457 HD11 ILE 55 3HD1 ILE 55 1.099 4.619 -4.210 458 HD12 ILE 55 1HD1 ILE 55 1.022 6.057 -3.196 459 HD13 ILE 55 2HD1 ILE 55 0.411 4.520 -2.586 460 H THR 56 H THR 56 5.133 5.218 -1.469 461 HA THR 56 HA THR 56 5.619 4.628 1.368 462 HB THR 56 HB THR 56 6.324 7.299 0.110 463 HG1 THR 56 HG1 THR 56 7.672 4.824 -0.315 464 HG21 THR 56 3HG2 THR 56 8.261 7.153 1.600 465 HG22 THR 56 1HG2 THR 56 7.768 5.535 2.104 466 HG23 THR 56 2HG2 THR 56 6.765 6.929 2.512 467 H LEU 57 H LEU 57 4.548 5.763 3.006 468 HA LEU 57 HA LEU 57 2.346 7.599 2.317 469 HB2 LEU 57 2HB LEU 57 2.318 5.453 4.486 470 HB3 LEU 57 1HB LEU 57 1.027 6.597 4.170 471 HG LEU 57 HG LEU 57 1.901 4.356 2.293 472 HD11 LEU 57 1HD1 LEU 57 -0.580 4.564 4.033 473 HD12 LEU 57 2HD1 LEU 57 0.783 3.468 4.271 474 HD13 LEU 57 3HD1 LEU 57 -0.246 3.291 2.852 475 HD21 LEU 57 3HD2 LEU 57 -0.088 4.935 0.958 476 HD22 LEU 57 1HD2 LEU 57 1.064 6.268 1.026 477 HD23 LEU 57 2HD2 LEU 57 -0.400 6.319 2.011 478 H SER 58 H SER 58 2.259 9.388 3.622 479 HA SER 58 HA SER 58 4.200 9.816 5.773 480 HB2 SER 58 2HB SER 58 2.014 11.665 4.686 481 HB3 SER 58 1HB SER 58 3.324 12.129 5.776 482 HG SER 58 HG SER 58 3.789 12.679 3.640 483 H GLU 59 H GLU 59 3.263 10.720 7.878 484 HA GLU 59 HA GLU 59 1.499 8.958 9.119 485 HB2 GLU 59 2HB GLU 59 2.233 11.791 9.947 486 HB3 GLU 59 1HB GLU 59 1.460 10.598 10.996 487 HG2 GLU 59 2HG GLU 59 3.439 9.116 10.745 488 HG3 GLU 59 1HG GLU 59 4.213 10.342 9.743 489 H GLU 60 H GLU 60 0.848 12.030 7.542 490 HA GLU 60 HA GLU 60 -1.848 12.370 8.296 491 HB2 GLU 60 2HB GLU 60 -0.355 13.369 5.834 492 HB3 GLU 60 1HB GLU 60 -1.986 13.867 6.265 493 HG2 GLU 60 2HG GLU 60 -0.449 15.588 6.958 494 HG3 GLU 60 1HG GLU 60 -1.124 14.815 8.389 495 H GLU 61 H GLU 61 -0.409 10.918 5.363 496 HA GLU 61 HA GLU 61 -2.836 10.295 4.040 497 HB2 GLU 61 2HB GLU 61 -0.490 8.459 3.535 498 HB3 GLU 61 1HB GLU 61 -1.576 9.219 2.386 499 HG2 GLU 61 2HG GLU 61 0.836 10.388 3.746 500 HG3 GLU 61 1HG GLU 61 0.604 10.086 2.031 501 H PHE 62 H PHE 62 -0.630 8.308 5.957 502 HA PHE 62 HA PHE 62 -2.006 5.897 6.015 503 HB2 PHE 62 2HB PHE 62 0.365 6.201 6.668 504 HB3 PHE 62 1HB PHE 62 -0.132 7.106 8.091 505 HD1 PHE 62 HD2 PHE 62 -0.578 3.759 6.460 506 HD2 PHE 62 HD1 PHE 62 -0.366 5.944 10.141 507 HE1 PHE 62 HE2 PHE 62 -0.639 1.657 7.729 508 HE2 PHE 62 HE1 PHE 62 -0.428 3.832 11.391 509 HZ PHE 62 HZ PHE 62 -0.563 1.694 10.190 510 H GLY 63 H GLY 63 -2.198 8.736 8.183 511 HA2 GLY 63 2HA GLY 63 -4.010 7.806 10.086 512 HA3 GLY 63 1HA GLY 63 -3.836 9.479 9.593 513 H VAL 64 H VAL 64 -4.686 9.474 6.995 514 HA VAL 64 HA VAL 64 -7.504 9.423 7.126 515 HB VAL 64 HB VAL 64 -5.693 9.494 4.660 516 HG11 VAL 64 1HG1 VAL 64 -7.965 8.767 4.013 517 HG12 VAL 64 2HG1 VAL 64 -7.634 10.395 3.415 518 HG13 VAL 64 3HG1 VAL 64 -8.659 10.168 4.835 519 HG21 VAL 64 3HG2 VAL 64 -7.050 11.766 6.163 520 HG22 VAL 64 1HG2 VAL 64 -6.076 11.935 4.697 521 HG23 VAL 64 2HG2 VAL 64 -5.327 11.390 6.197 522 H LEU 65 H LEU 65 -5.131 7.042 5.876 523 HA LEU 65 HA LEU 65 -6.874 5.197 4.717 524 HB2 LEU 65 2HB LEU 65 -4.336 5.266 4.559 525 HB3 LEU 65 1HB LEU 65 -4.276 4.594 6.177 526 HG LEU 65 HG LEU 65 -5.552 2.560 5.262 527 HD11 LEU 65 1HD1 LEU 65 -6.475 3.563 3.239 528 HD12 LEU 65 2HD1 LEU 65 -5.499 2.147 2.855 529 HD13 LEU 65 3HD1 LEU 65 -4.852 3.766 2.572 530 HD21 LEU 65 3HD2 LEU 65 -3.541 1.518 4.320 531 HD22 LEU 65 1HD2 LEU 65 -3.146 2.493 5.735 532 HD23 LEU 65 2HD2 LEU 65 -2.794 3.106 4.116 533 H LEU 66 H LEU 66 -5.517 5.327 8.061 534 HA LEU 66 HA LEU 66 -6.746 3.115 9.201 535 HB2 LEU 66 2HB LEU 66 -6.037 5.776 10.511 536 HB3 LEU 66 1HB LEU 66 -6.428 4.306 11.391 537 HG LEU 66 HG LEU 66 -4.004 4.755 9.623 538 HD11 LEU 66 1HD1 LEU 66 -4.174 4.331 12.617 539 HD12 LEU 66 2HD1 LEU 66 -3.837 5.858 11.797 540 HD13 LEU 66 3HD1 LEU 66 -2.698 4.522 11.666 541 HD21 LEU 66 3HD2 LEU 66 -4.759 2.461 9.348 542 HD22 LEU 66 1HD2 LEU 66 -4.806 2.231 11.098 543 HD23 LEU 66 2HD2 LEU 66 -3.268 2.508 10.278 544 H LYS 67 H LYS 67 -7.908 6.472 9.013 545 HA LYS 67 HA LYS 67 -10.283 6.325 10.491 546 HB2 LYS 67 2HB LYS 67 -9.485 8.047 8.116 547 HB3 LYS 67 1HB LYS 67 -10.996 8.288 8.986 548 HG2 LYS 67 2HG LYS 67 -9.860 8.933 10.986 549 HG3 LYS 67 1HG LYS 67 -8.298 8.399 10.354 550 HD2 LYS 67 2HD LYS 67 -8.620 10.902 10.328 551 HD3 LYS 67 1HD LYS 67 -8.242 10.211 8.749 552 HE2 LYS 67 2HE LYS 67 -10.015 11.957 8.633 553 HE3 LYS 67 1HE LYS 67 -10.607 10.389 8.084 554 HZ1 LYS 67 3HZ LYS 67 -11.042 11.535 10.788 555 HZ2 LYS 67 1HZ LYS 67 -11.672 10.077 10.211 556 HZ3 LYS 67 2HZ LYS 67 -12.178 11.541 9.537 557 H GLU 68 H GLU 68 -9.862 6.126 6.963 558 HA GLU 68 HA GLU 68 -12.645 5.644 6.525 559 HB2 GLU 68 2HB GLU 68 -10.324 5.497 4.574 560 HB3 GLU 68 1HB GLU 68 -12.027 5.559 4.143 561 HG2 GLU 68 2HG GLU 68 -10.366 7.751 5.410 562 HG3 GLU 68 1HG GLU 68 -11.077 7.738 3.798 563 H LEU 69 H LEU 69 -9.831 3.577 6.906 564 HA LEU 69 HA LEU 69 -11.076 1.163 5.995 565 HB2 LEU 69 2HB LEU 69 -8.711 1.605 7.853 566 HB3 LEU 69 1HB LEU 69 -9.288 0.003 7.413 567 HG LEU 69 HG LEU 69 -8.141 2.074 5.504 568 HD11 LEU 69 1HD1 LEU 69 -7.001 -0.571 6.426 569 HD12 LEU 69 2HD1 LEU 69 -6.441 1.035 6.900 570 HD13 LEU 69 3HD1 LEU 69 -6.288 0.513 5.225 571 HD21 LEU 69 3HD2 LEU 69 -8.298 0.372 3.766 572 HD22 LEU 69 1HD2 LEU 69 -9.892 0.789 4.387 573 HD23 LEU 69 2HD2 LEU 69 -9.123 -0.723 4.880 574 H GLY 70 H GLY 70 -10.750 2.779 9.150 575 HA2 GLY 70 2HA GLY 70 -12.160 0.982 10.782 576 HA3 GLY 70 1HA GLY 70 -12.049 2.718 11.035 577 H ASN 71 H ASN 71 -13.284 3.493 8.594 578 HA ASN 71 HA ASN 71 -16.082 3.331 9.139 579 HB2 ASN 71 2HB ASN 71 -14.712 4.175 6.538 580 HB3 ASN 71 1HB ASN 71 -16.432 4.367 6.873 581 HD21 ASN 71 1HD2 ASN 71 -14.571 6.430 6.227 582 HD22 ASN 71 2HD2 ASN 71 -14.528 7.511 7.571 583 H LYS 72 H LYS 72 -14.291 2.098 6.342 584 HA LYS 72 HA LYS 72 -15.912 0.264 5.210 585 HB2 LYS 72 2HB LYS 72 -12.926 -0.082 5.648 586 HB3 LYS 72 1HB LYS 72 -13.876 -1.069 4.542 587 HG2 LYS 72 2HG LYS 72 -14.482 1.004 3.273 588 HG3 LYS 72 1HG LYS 72 -13.425 1.922 4.337 589 HD2 LYS 72 2HD LYS 72 -12.058 1.526 2.465 590 HD3 LYS 72 1HD LYS 72 -11.558 0.270 3.596 591 HE2 LYS 72 2HE LYS 72 -13.384 -0.049 1.193 592 HE3 LYS 72 1HE LYS 72 -11.760 -0.696 1.388 593 HZ1 LYS 72 3HZ LYS 72 -12.639 -2.095 3.213 594 HZ2 LYS 72 1HZ LYS 72 -13.333 -2.431 1.711 595 HZ3 LYS 72 2HZ LYS 72 -14.199 -1.543 2.854 596 H LEU 73 H LEU 73 -14.066 -0.414 8.191 597 HA LEU 73 HA LEU 73 -14.582 -3.181 8.351 598 HB2 LEU 73 2HB LEU 73 -13.892 -1.159 10.510 599 HB3 LEU 73 1HB LEU 73 -14.069 -2.873 10.854 600 HG LEU 73 HG LEU 73 -12.016 -1.681 8.949 601 HD11 LEU 73 1HD1 LEU 73 -11.502 -1.115 11.270 602 HD12 LEU 73 2HD1 LEU 73 -10.334 -2.263 10.619 603 HD13 LEU 73 3HD1 LEU 73 -11.595 -2.820 11.724 604 HD21 LEU 73 3HD2 LEU 73 -12.384 -4.556 9.858 605 HD22 LEU 73 1HD2 LEU 73 -11.040 -3.946 8.886 606 HD23 LEU 73 2HD2 LEU 73 -12.675 -3.921 8.237 607 H GLU 74 H GLU 74 -16.464 -0.408 9.327 608 HA GLU 74 HA GLU 74 -18.524 -2.051 10.629 609 HB2 GLU 74 2HB GLU 74 -18.386 0.959 10.169 610 HB3 GLU 74 1HB GLU 74 -19.670 0.134 11.048 611 HG2 GLU 74 2HG GLU 74 -16.744 0.246 11.841 612 HG3 GLU 74 1HG GLU 74 -18.070 1.113 12.614 613 H HIS 75 H HIS 75 -17.970 -0.320 7.644 614 HA HIS 75 HA HIS 75 -20.570 -0.550 6.488 615 HB2 HIS 75 2HB HIS 75 -17.812 0.081 5.400 616 HB3 HIS 75 1HB HIS 75 -19.126 -0.224 4.279 617 HD1 HIS 75 HD1 HIS 75 -18.470 2.114 7.246 618 HD2 HIS 75 HD2 HIS 75 -20.453 2.015 3.600 619 HE1 HIS 75 HE1 HIS 75 -19.357 4.433 6.891 620 HE2 HIS 75 HE2 HIS 75 -20.661 4.306 4.753 621 H HIS 76 H HIS 76 -21.313 -2.625 6.711 622 HA HIS 76 HA HIS 76 -21.806 -4.762 6.234 623 HB2 HIS 76 2HB HIS 76 -20.158 -4.316 3.707 624 HB3 HIS 76 1HB HIS 76 -21.262 -5.658 3.968 625 HD1 HIS 76 HD1 HIS 76 -23.869 -4.782 4.442 626 HD2 HIS 76 HD2 HIS 76 -21.308 -2.282 2.339 627 HE1 HIS 76 HE1 HIS 76 -25.349 -3.170 3.216 628 HE2 HIS 76 HE2 HIS 76 -23.772 -1.605 2.041 629 H HIS 77 H HIS 77 -20.265 -5.059 8.172 630 HA HIS 77 HA HIS 77 -17.987 -6.825 7.523 631 HB2 HIS 77 2HB HIS 77 -17.857 -7.096 10.083 632 HB3 HIS 77 1HB HIS 77 -17.508 -5.503 9.442 633 HD1 HIS 77 HD1 HIS 77 -18.520 -3.690 10.735 634 HD2 HIS 77 HD2 HIS 77 -20.769 -7.161 11.052 635 HE1 HIS 77 HE1 HIS 77 -20.385 -3.140 12.312 636 HE2 HIS 77 HE2 HIS 77 -21.590 -5.317 12.647 637 H HIS 78 H HIS 78 -17.927 -9.010 8.634 638 HA HIS 78 HA HIS 78 -20.196 -10.544 7.882 639 HB2 HIS 78 2HB HIS 78 -19.008 -12.502 8.707 640 HB3 HIS 78 1HB HIS 78 -17.857 -11.466 7.879 641 HD1 HIS 78 HD1 HIS 78 -18.309 -13.343 10.921 642 HD2 HIS 78 HD2 HIS 78 -16.214 -9.916 9.857 643 HE1 HIS 78 HE1 HIS 78 -16.612 -12.996 12.728 644 HE2 HIS 78 HE2 HIS 78 -15.473 -10.836 12.144 645 H HIS 79 H HIS 79 -22.059 -10.450 8.912 646 HA HIS 79 HA HIS 79 -22.213 -10.107 11.852 647 HB2 HIS 79 2HB HIS 79 -23.369 -8.347 10.575 648 HB3 HIS 79 1HB HIS 79 -24.268 -9.548 9.660 649 HD1 HIS 79 HD1 HIS 79 -26.337 -10.579 10.748 650 HD2 HIS 79 HD2 HIS 79 -24.298 -7.958 13.242 651 HE1 HIS 79 HE1 HIS 79 -27.836 -10.222 12.725 652 HE2 HIS 79 HE2 HIS 79 -26.491 -8.800 14.291 653 H HIS 80 H HIS 80 -23.185 -11.696 13.078 654 HA HIS 80 HA HIS 80 -23.900 -14.203 11.713 655 HB2 HIS 80 2HB HIS 80 -23.562 -15.349 13.838 656 HB3 HIS 80 1HB HIS 80 -22.153 -14.374 13.455 657 HD1 HIS 80 HD1 HIS 80 -24.861 -14.791 15.960 658 HD2 HIS 80 HD2 HIS 80 -21.672 -12.225 15.292 659 HE1 HIS 80 HE1 HIS 80 -24.599 -13.483 18.072 660 HE2 HIS 80 HE2 HIS 80 -22.645 -11.960 17.659 661 H1 MET 1 1H MET 1 -2.361 -15.415 -22.425 662 H2 MET 1 2H MET 1 -0.806 -15.606 -21.797 663 H3 MET 1 3H MET 1 -1.186 -16.252 -23.309 664 HA MET 1 HA MET 1 0.125 -14.255 -23.510 665 HB2 MET 1 2HB MET 1 -1.484 -14.828 -25.303 666 HB3 MET 1 1HB MET 1 -2.762 -13.977 -24.452 667 HG2 MET 1 2HG MET 1 -1.525 -11.849 -24.775 668 HG3 MET 1 1HG MET 1 -0.304 -12.725 -25.704 669 HE1 MET 1 3HE MET 1 -2.352 -10.620 -28.387 670 HE2 MET 1 1HE MET 1 -0.743 -10.931 -27.737 671 HE3 MET 1 2HE MET 1 -1.963 -10.144 -26.734 672 H ALA 2 H ALA 2 0.634 -13.221 -21.516 673 HA ALA 2 HA ALA 2 -0.867 -10.730 -21.077 674 HB1 ALA 2 3HB ALA 2 -0.191 -12.606 -18.769 675 HB2 ALA 2 1HB ALA 2 -1.809 -12.299 -19.406 676 HB3 ALA 2 2HB ALA 2 -0.910 -10.999 -18.625 677 H ASP 3 H ASP 3 1.379 -10.850 -22.487 678 HA ASP 3 HA ASP 3 3.782 -10.252 -21.024 679 HB2 ASP 3 2HB ASP 3 2.916 -9.398 -23.837 680 HB3 ASP 3 1HB ASP 3 4.540 -9.180 -23.184 681 H LYS 4 H LYS 4 1.151 -8.423 -22.350 682 HA LYS 4 HA LYS 4 1.747 -6.089 -20.622 683 HB2 LYS 4 2HB LYS 4 1.678 -5.536 -23.051 684 HB3 LYS 4 1HB LYS 4 0.059 -6.218 -23.158 685 HG2 LYS 4 2HG LYS 4 -0.720 -4.469 -21.511 686 HG3 LYS 4 1HG LYS 4 0.891 -3.749 -21.593 687 HD2 LYS 4 2HD LYS 4 -0.650 -2.541 -23.070 688 HD3 LYS 4 1HD LYS 4 0.587 -3.360 -24.027 689 HE2 LYS 4 2HE LYS 4 -1.023 -5.176 -24.538 690 HE3 LYS 4 1HE LYS 4 -2.251 -4.352 -23.573 691 HZ1 LYS 4 3HZ LYS 4 -2.066 -2.457 -25.102 692 HZ2 LYS 4 1HZ LYS 4 -2.585 -3.868 -25.873 693 HZ3 LYS 4 2HZ LYS 4 -0.993 -3.344 -26.062 694 H LEU 5 H LEU 5 0.181 -5.603 -19.097 695 HA LEU 5 HA LEU 5 -1.940 -7.579 -18.697 696 HB2 LEU 5 2HB LEU 5 -1.049 -5.322 -16.856 697 HB3 LEU 5 1HB LEU 5 -2.220 -6.575 -16.461 698 HG LEU 5 HG LEU 5 0.779 -6.934 -16.856 699 HD11 LEU 5 1HD1 LEU 5 0.160 -5.954 -14.703 700 HD12 LEU 5 2HD1 LEU 5 0.779 -7.589 -14.494 701 HD13 LEU 5 3HD1 LEU 5 -0.958 -7.285 -14.392 702 HD21 LEU 5 3HD2 LEU 5 0.449 -9.316 -16.288 703 HD22 LEU 5 1HD2 LEU 5 -0.341 -8.889 -17.804 704 HD23 LEU 5 2HD2 LEU 5 -1.302 -9.090 -16.335 705 H LYS 6 H LYS 6 -4.011 -6.771 -17.992 706 HA LYS 6 HA LYS 6 -4.908 -4.198 -19.130 707 HB2 LYS 6 2HB LYS 6 -6.450 -6.843 -19.076 708 HB3 LYS 6 1HB LYS 6 -7.091 -5.303 -19.638 709 HG2 LYS 6 2HG LYS 6 -4.832 -6.866 -20.929 710 HG3 LYS 6 1HG LYS 6 -6.493 -6.776 -21.516 711 HD2 LYS 6 2HD LYS 6 -4.523 -4.464 -21.332 712 HD3 LYS 6 1HD LYS 6 -5.017 -5.294 -22.804 713 HE2 LYS 6 2HE LYS 6 -6.838 -3.632 -21.019 714 HE3 LYS 6 1HE LYS 6 -6.166 -3.131 -22.568 715 HZ1 LYS 6 3HZ LYS 6 -8.456 -3.892 -22.746 716 HZ2 LYS 6 1HZ LYS 6 -8.007 -5.424 -22.191 717 HZ3 LYS 6 2HZ LYS 6 -7.405 -4.846 -23.660 718 H PHE 7 H PHE 7 -6.767 -3.284 -17.833 719 HA PHE 7 HA PHE 7 -7.475 -4.645 -15.374 720 HB2 PHE 7 2HB PHE 7 -6.804 -2.800 -13.892 721 HB3 PHE 7 1HB PHE 7 -5.405 -3.450 -14.723 722 HD1 PHE 7 HD1 PHE 7 -4.462 -2.132 -16.743 723 HD2 PHE 7 HD2 PHE 7 -7.314 -0.452 -14.014 724 HE1 PHE 7 HE1 PHE 7 -3.848 0.138 -17.482 725 HE2 PHE 7 HE2 PHE 7 -6.688 1.804 -14.768 726 HZ PHE 7 HZ PHE 7 -4.962 2.102 -16.496 727 H GLU 8 H GLU 8 -9.295 -3.775 -14.352 728 HA GLU 8 HA GLU 8 -10.562 -1.362 -15.406 729 HB2 GLU 8 2HB GLU 8 -11.791 -3.188 -16.529 730 HB3 GLU 8 1HB GLU 8 -12.009 -4.024 -14.992 731 HG2 GLU 8 2HG GLU 8 -13.383 -2.104 -14.168 732 HG3 GLU 8 1HG GLU 8 -13.196 -1.321 -15.736 733 H ILE 9 H ILE 9 -11.183 -0.140 -13.743 734 HA ILE 9 HA ILE 9 -10.534 -1.050 -11.048 735 HB ILE 9 HB ILE 9 -11.254 1.741 -12.051 736 HG12 ILE 9 2HG1 ILE 9 -8.599 0.395 -11.345 737 HG13 ILE 9 1HG1 ILE 9 -9.107 0.935 -12.937 738 HG21 ILE 9 1HG2 ILE 9 -10.270 0.905 -9.292 739 HG22 ILE 9 2HG2 ILE 9 -11.894 1.483 -9.662 740 HG23 ILE 9 3HG2 ILE 9 -10.512 2.569 -9.834 741 HD11 ILE 9 3HD1 ILE 9 -7.454 2.405 -12.033 742 HD12 ILE 9 1HD1 ILE 9 -8.424 2.688 -10.587 743 HD13 ILE 9 2HD1 ILE 9 -8.995 3.252 -12.160 744 H ILE 10 H ILE 10 -11.952 -1.808 -9.762 745 HA ILE 10 HA ILE 10 -14.713 -2.193 -10.542 746 HB ILE 10 HB ILE 10 -13.140 -3.246 -8.141 747 HG12 ILE 10 2HG1 ILE 10 -12.137 -4.054 -10.222 748 HG13 ILE 10 1HG1 ILE 10 -12.986 -5.387 -9.450 749 HG21 ILE 10 1HG2 ILE 10 -14.916 -4.956 -7.892 750 HG22 ILE 10 2HG2 ILE 10 -15.836 -4.191 -9.189 751 HG23 ILE 10 3HG2 ILE 10 -15.554 -3.324 -7.679 752 HD11 ILE 10 3HD1 ILE 10 -13.335 -5.442 -11.823 753 HD12 ILE 10 1HD1 ILE 10 -13.928 -3.784 -11.822 754 HD13 ILE 10 2HD1 ILE 10 -14.864 -5.058 -11.033 755 H GLU 11 H GLU 11 -12.855 -0.562 -7.973 756 HA GLU 11 HA GLU 11 -15.099 1.163 -7.321 757 HB2 GLU 11 2HB GLU 11 -15.554 -0.903 -5.971 758 HB3 GLU 11 1HB GLU 11 -13.984 -0.734 -5.195 759 HG2 GLU 11 2HG GLU 11 -15.867 0.047 -3.768 760 HG3 GLU 11 1HG GLU 11 -14.690 1.319 -4.106 761 H GLU 12 H GLU 12 -14.451 3.029 -6.231 762 HA GLU 12 HA GLU 12 -11.573 3.415 -5.607 763 HB2 GLU 12 2HB GLU 12 -13.818 5.457 -5.961 764 HB3 GLU 12 1HB GLU 12 -12.137 5.854 -5.602 765 HG2 GLU 12 2HG GLU 12 -11.424 4.933 -7.754 766 HG3 GLU 12 1HG GLU 12 -13.073 4.427 -8.112 767 H LEU 13 H LEU 13 -11.018 3.297 -3.469 768 HA LEU 13 HA LEU 13 -13.263 2.917 -1.547 769 HB2 LEU 13 2HB LEU 13 -10.325 2.198 -1.232 770 HB3 LEU 13 1HB LEU 13 -11.604 1.801 -0.095 771 HG LEU 13 HG LEU 13 -11.332 0.698 -2.919 772 HD11 LEU 13 1HD1 LEU 13 -10.863 -1.448 -1.802 773 HD12 LEU 13 2HD1 LEU 13 -10.878 -0.637 -0.235 774 HD13 LEU 13 3HD1 LEU 13 -9.651 -0.225 -1.434 775 HD21 LEU 13 3HD2 LEU 13 -13.217 -0.782 -2.328 776 HD22 LEU 13 1HD2 LEU 13 -13.687 0.916 -2.328 777 HD23 LEU 13 2HD2 LEU 13 -13.418 0.076 -0.799 778 H ILE 14 H ILE 14 -10.037 4.392 -1.588 779 HA ILE 14 HA ILE 14 -10.812 6.515 0.289 780 HB ILE 14 HB ILE 14 -8.307 4.808 0.756 781 HG12 ILE 14 2HG1 ILE 14 -10.908 4.653 2.348 782 HG13 ILE 14 1HG1 ILE 14 -10.319 3.413 1.249 783 HG21 ILE 14 1HG2 ILE 14 -8.152 7.139 1.553 784 HG22 ILE 14 2HG2 ILE 14 -8.157 6.010 2.910 785 HG23 ILE 14 3HG2 ILE 14 -9.619 6.916 2.511 786 HD11 ILE 14 3HD1 ILE 14 -8.380 3.056 2.699 787 HD12 ILE 14 1HD1 ILE 14 -9.906 2.798 3.540 788 HD13 ILE 14 2HD1 ILE 14 -8.989 4.279 3.818 789 H VAL 15 H VAL 15 -9.932 8.414 -0.481 790 HA VAL 15 HA VAL 15 -7.433 8.337 -2.059 791 HB VAL 15 HB VAL 15 -9.264 10.718 -1.505 792 HG11 VAL 15 1HG1 VAL 15 -7.962 11.911 -3.239 793 HG12 VAL 15 2HG1 VAL 15 -6.899 10.513 -3.410 794 HG13 VAL 15 3HG1 VAL 15 -6.923 11.419 -1.897 795 HG21 VAL 15 3HG2 VAL 15 -8.992 9.037 -4.023 796 HG22 VAL 15 1HG2 VAL 15 -9.965 10.508 -3.874 797 HG23 VAL 15 2HG2 VAL 15 -10.387 9.073 -2.937 798 H LEU 16 H LEU 16 -5.586 8.702 -1.039 799 HA LEU 16 HA LEU 16 -5.528 9.627 1.760 800 HB2 LEU 16 2HB LEU 16 -3.280 8.461 0.061 801 HB3 LEU 16 1HB LEU 16 -3.262 8.705 1.803 802 HG LEU 16 HG LEU 16 -5.069 6.737 0.341 803 HD11 LEU 16 1HD1 LEU 16 -2.601 6.172 2.012 804 HD12 LEU 16 2HD1 LEU 16 -2.740 5.997 0.260 805 HD13 LEU 16 3HD1 LEU 16 -3.694 4.966 1.322 806 HD21 LEU 16 3HD2 LEU 16 -6.109 7.608 2.367 807 HD22 LEU 16 1HD2 LEU 16 -4.674 7.191 3.309 808 HD23 LEU 16 2HD2 LEU 16 -5.654 5.921 2.573 809 H SER 17 H SER 17 -4.745 10.645 -1.486 810 HA SER 17 HA SER 17 -3.838 13.239 -0.746 811 HB2 SER 17 2HB SER 17 -1.753 11.934 -0.284 812 HB3 SER 17 1HB SER 17 -1.743 11.367 -1.948 813 HG SER 17 HG SER 17 -0.470 13.102 -2.002 814 H GLU 18 H GLU 18 -3.712 14.578 -2.525 815 HA GLU 18 HA GLU 18 -4.207 13.531 -5.247 816 HB2 GLU 18 2HB GLU 18 -6.342 14.378 -4.327 817 HB3 GLU 18 1HB GLU 18 -5.595 15.932 -3.955 818 HG2 GLU 18 2HG GLU 18 -5.232 16.329 -6.380 819 HG3 GLU 18 1HG GLU 18 -5.954 14.762 -6.743 820 H ASN 19 H ASN 19 -2.871 14.460 -6.792 821 HA ASN 19 HA ASN 19 -0.617 16.021 -5.626 822 HB2 ASN 19 2HB ASN 19 -0.194 13.893 -6.903 823 HB3 ASN 19 1HB ASN 19 -0.822 14.662 -8.353 824 HD21 ASN 19 1HD2 ASN 19 1.089 14.374 -9.471 825 HD22 ASN 19 2HD2 ASN 19 2.534 15.264 -9.132 826 H ALA 20 H ALA 20 0.407 17.774 -7.012 827 HA ALA 20 HA ALA 20 -1.384 19.792 -7.901 828 HB1 ALA 20 3HB ALA 20 0.886 20.271 -7.058 829 HB2 ALA 20 1HB ALA 20 0.646 20.971 -8.661 830 HB3 ALA 20 2HB ALA 20 1.587 19.488 -8.474 831 H LYS 21 H LYS 21 0.160 17.117 -9.536 832 HA LYS 21 HA LYS 21 -0.725 17.937 -12.227 833 HB2 LYS 21 2HB LYS 21 0.438 15.236 -11.419 834 HB3 LYS 21 1HB LYS 21 0.370 15.926 -13.037 835 HG2 LYS 21 2HG LYS 21 2.116 16.814 -10.731 836 HG3 LYS 21 1HG LYS 21 2.640 16.047 -12.229 837 HD2 LYS 21 2HD LYS 21 2.025 18.055 -13.511 838 HD3 LYS 21 1HD LYS 21 1.358 18.811 -12.060 839 HE2 LYS 21 2HE LYS 21 3.624 18.811 -11.044 840 HE3 LYS 21 1HE LYS 21 4.273 18.097 -12.523 841 HZ1 LYS 21 3HZ LYS 21 4.558 20.516 -12.400 842 HZ2 LYS 21 1HZ LYS 21 2.883 20.713 -12.390 843 HZ3 LYS 21 2HZ LYS 21 3.645 20.045 -13.741 844 H GLY 22 H GLY 22 -1.966 16.416 -9.515 845 HA2 GLY 22 2HA GLY 22 -4.336 16.141 -9.330 846 HA3 GLY 22 1HA GLY 22 -4.348 15.335 -10.893 847 H TRP 23 H TRP 23 -1.769 13.970 -10.139 848 HA TRP 23 HA TRP 23 -2.695 11.435 -9.919 849 HB2 TRP 23 2HB TRP 23 0.005 12.607 -9.163 850 HB3 TRP 23 1HB TRP 23 -0.300 10.884 -8.973 851 HD1 TRP 23 HD1 TRP 23 -0.625 13.489 -11.849 852 HE1 TRP 23 HE1 TRP 23 0.096 12.368 -14.009 853 HE3 TRP 23 HE3 TRP 23 0.317 8.836 -9.993 854 HZ2 TRP 23 HZ2 TRP 23 0.973 9.771 -14.854 855 HZ3 TRP 23 HZ3 TRP 23 1.106 7.082 -11.530 856 HH2 TRP 23 HH2 TRP 23 1.425 7.545 -13.912 857 H ARG 24 H ARG 24 -3.872 10.417 -8.428 858 HA ARG 24 HA ARG 24 -3.926 11.439 -5.688 859 HB2 ARG 24 2HB ARG 24 -5.850 9.780 -7.346 860 HB3 ARG 24 1HB ARG 24 -5.990 9.820 -5.589 861 HG2 ARG 24 2HG ARG 24 -6.369 12.219 -5.616 862 HG3 ARG 24 1HG ARG 24 -6.080 12.298 -7.352 863 HD2 ARG 24 2HD ARG 24 -8.059 10.859 -7.734 864 HD3 ARG 24 1HD ARG 24 -8.341 10.782 -5.993 865 HE ARG 24 HE ARG 24 -8.326 13.463 -6.641 866 HH11 ARG 24 1HH1 ARG 24 -10.279 10.679 -7.579 867 HH12 ARG 24 2HH1 ARG 24 -11.702 11.627 -7.876 868 HH21 ARG 24 1HH2 ARG 24 -10.198 14.686 -7.040 869 HH22 ARG 24 2HH2 ARG 24 -11.653 13.897 -7.569 870 H LYS 25 H LYS 25 -2.751 10.439 -4.238 871 HA LYS 25 HA LYS 25 -1.839 7.685 -4.503 872 HB2 LYS 25 2HB LYS 25 -0.361 9.312 -3.441 873 HB3 LYS 25 1HB LYS 25 -1.608 9.764 -2.286 874 HG2 LYS 25 2HG LYS 25 -1.442 7.625 -1.161 875 HG3 LYS 25 1HG LYS 25 -0.363 6.999 -2.408 876 HD2 LYS 25 2HD LYS 25 0.279 9.278 -0.494 877 HD3 LYS 25 1HD LYS 25 0.878 7.623 -0.353 878 HE2 LYS 25 2HE LYS 25 2.053 7.888 -2.533 879 HE3 LYS 25 1HE LYS 25 1.479 9.553 -2.628 880 HZ1 LYS 25 3HZ LYS 25 3.740 9.430 -1.805 881 HZ2 LYS 25 1HZ LYS 25 3.245 8.456 -0.517 882 HZ3 LYS 25 2HZ LYS 25 2.709 10.053 -0.616 883 H GLU 26 H GLU 26 -3.524 6.291 -4.382 884 HA GLU 26 HA GLU 26 -5.597 6.630 -2.297 885 HB2 GLU 26 2HB GLU 26 -7.347 6.208 -4.022 886 HB3 GLU 26 1HB GLU 26 -6.431 7.671 -4.368 887 HG2 GLU 26 2HG GLU 26 -5.100 6.453 -6.052 888 HG3 GLU 26 1HG GLU 26 -6.004 4.981 -5.703 889 H LEU 27 H LEU 27 -6.726 4.831 -1.750 890 HA LEU 27 HA LEU 27 -5.837 2.169 -2.607 891 HB2 LEU 27 2HB LEU 27 -5.916 2.613 -0.172 892 HB3 LEU 27 1HB LEU 27 -7.595 3.107 -0.303 893 HG LEU 27 HG LEU 27 -8.152 0.732 -1.044 894 HD11 LEU 27 1HD1 LEU 27 -5.959 0.007 -1.805 895 HD12 LEU 27 2HD1 LEU 27 -6.570 -1.072 -0.554 896 HD13 LEU 27 3HD1 LEU 27 -5.324 0.116 -0.162 897 HD21 LEU 27 3HD2 LEU 27 -6.970 1.023 1.722 898 HD22 LEU 27 1HD2 LEU 27 -8.148 -0.188 1.208 899 HD23 LEU 27 2HD2 LEU 27 -8.590 1.517 1.226 900 H ASN 28 H ASN 28 -7.032 1.334 -4.214 901 HA ASN 28 HA ASN 28 -9.969 1.561 -4.226 902 HB2 ASN 28 2HB ASN 28 -10.025 2.158 -6.615 903 HB3 ASN 28 1HB ASN 28 -9.137 3.381 -5.720 904 HD21 ASN 28 1HD2 ASN 28 -6.792 3.344 -5.893 905 HD22 ASN 28 2HD2 ASN 28 -6.061 2.724 -7.325 906 H ARG 29 H ARG 29 -10.940 -0.136 -5.696 907 HA ARG 29 HA ARG 29 -9.364 -2.617 -5.534 908 HB2 ARG 29 2HB ARG 29 -12.368 -2.214 -5.890 909 HB3 ARG 29 1HB ARG 29 -11.564 -3.782 -5.889 910 HG2 ARG 29 2HG ARG 29 -10.847 -3.451 -3.576 911 HG3 ARG 29 1HG ARG 29 -11.572 -1.841 -3.560 912 HD2 ARG 29 2HD ARG 29 -13.044 -3.384 -2.424 913 HD3 ARG 29 1HD ARG 29 -13.798 -2.884 -3.936 914 HE ARG 29 HE ARG 29 -12.303 -5.383 -4.031 915 HH11 ARG 29 1HH1 ARG 29 -15.494 -3.928 -3.613 916 HH12 ARG 29 2HH1 ARG 29 -16.334 -5.402 -3.986 917 HH21 ARG 29 1HH2 ARG 29 -13.437 -7.316 -4.437 918 HH22 ARG 29 2HH2 ARG 29 -15.174 -7.309 -4.450 919 H VAL 30 H VAL 30 -8.630 -3.501 -7.345 920 HA VAL 30 HA VAL 30 -9.680 -2.656 -9.992 921 HB VAL 30 HB VAL 30 -6.737 -3.196 -9.327 922 HG11 VAL 30 1HG1 VAL 30 -6.256 -2.369 -11.608 923 HG12 VAL 30 2HG1 VAL 30 -7.987 -2.206 -11.914 924 HG13 VAL 30 3HG1 VAL 30 -7.286 -3.803 -11.645 925 HG21 VAL 30 3HG2 VAL 30 -6.335 -0.788 -9.688 926 HG22 VAL 30 1HG2 VAL 30 -7.439 -1.061 -8.336 927 HG23 VAL 30 2HG2 VAL 30 -8.069 -0.531 -9.895 928 H SER 31 H SER 31 -9.704 -4.268 -11.551 929 HA SER 31 HA SER 31 -9.139 -7.065 -10.751 930 HB2 SER 31 2HB SER 31 -11.559 -6.725 -11.187 931 HB3 SER 31 1HB SER 31 -11.197 -6.010 -12.759 932 HG SER 31 HG SER 31 -11.736 -8.430 -12.449 933 H TRP 32 H TRP 32 -7.435 -7.856 -11.838 934 HA TRP 32 HA TRP 32 -6.319 -6.317 -14.114 935 HB2 TRP 32 2HB TRP 32 -4.987 -8.212 -12.125 936 HB3 TRP 32 1HB TRP 32 -4.167 -7.538 -13.530 937 HD1 TRP 32 HD1 TRP 32 -5.390 -6.549 -10.018 938 HE1 TRP 32 HE1 TRP 32 -4.328 -4.272 -9.405 939 HE3 TRP 32 HE3 TRP 32 -3.419 -5.282 -14.586 940 HZ2 TRP 32 HZ2 TRP 32 -2.949 -2.199 -10.685 941 HZ3 TRP 32 HZ3 TRP 32 -2.249 -3.122 -14.803 942 HH2 TRP 32 HH2 TRP 32 -2.022 -1.611 -12.889 943 H ASN 33 H ASN 33 -6.608 -7.144 -16.013 944 HA ASN 33 HA ASN 33 -7.068 -8.463 -17.796 945 HB2 ASN 33 2HB ASN 33 -5.798 -10.607 -16.040 946 HB3 ASN 33 1HB ASN 33 -6.291 -10.916 -17.700 947 HD21 ASN 33 1HD2 ASN 33 -3.626 -10.968 -16.394 948 HD22 ASN 33 2HD2 ASN 33 -2.638 -9.933 -17.356 949 H ASP 34 H ASP 34 -9.143 -7.859 -15.978 950 HA ASP 34 HA ASP 34 -11.208 -8.380 -15.203 951 HB2 ASP 34 2HB ASP 34 -11.513 -8.423 -17.679 952 HB3 ASP 34 1HB ASP 34 -11.176 -10.149 -17.688 953 H ALA 35 H ALA 35 -9.168 -9.884 -13.948 954 HA ALA 35 HA ALA 35 -10.278 -12.589 -13.484 955 HB1 ALA 35 3HB ALA 35 -7.588 -11.381 -12.734 956 HB2 ALA 35 1HB ALA 35 -7.904 -12.461 -14.095 957 HB3 ALA 35 2HB ALA 35 -8.082 -13.048 -12.442 958 H GLU 36 H GLU 36 -9.191 -12.864 -10.821 959 HA GLU 36 HA GLU 36 -11.054 -12.062 -9.059 960 HB2 GLU 36 2HB GLU 36 -9.264 -12.260 -7.262 961 HB3 GLU 36 1HB GLU 36 -9.369 -13.619 -8.374 962 HG2 GLU 36 2HG GLU 36 -7.403 -12.809 -9.609 963 HG3 GLU 36 1HG GLU 36 -7.317 -11.389 -8.569 964 HA PRO 37 HA PRO 37 -10.524 -7.475 -8.736 965 HB2 PRO 37 2HB PRO 37 -12.854 -7.709 -6.873 966 HB3 PRO 37 1HB PRO 37 -12.707 -6.754 -8.361 967 HG2 PRO 37 2HG PRO 37 -14.274 -8.930 -8.271 968 HG3 PRO 37 1HG PRO 37 -13.357 -8.507 -9.735 969 HD2 PRO 37 2HD PRO 37 -12.684 -10.570 -7.630 970 HD3 PRO 37 1HD PRO 37 -12.596 -10.702 -9.403 971 H LYS 38 H LYS 38 -9.048 -6.674 -7.327 972 HA LYS 38 HA LYS 38 -8.817 -7.777 -4.592 973 HB2 LYS 38 2HB LYS 38 -6.380 -7.921 -4.882 974 HB3 LYS 38 1HB LYS 38 -7.175 -8.904 -6.106 975 HG2 LYS 38 2HG LYS 38 -6.826 -7.003 -7.749 976 HG3 LYS 38 1HG LYS 38 -5.885 -6.177 -6.501 977 HD2 LYS 38 2HD LYS 38 -4.357 -7.329 -8.007 978 HD3 LYS 38 1HD LYS 38 -4.325 -8.134 -6.435 979 HE2 LYS 38 2HE LYS 38 -5.963 -9.823 -7.368 980 HE3 LYS 38 1HE LYS 38 -5.755 -9.064 -8.946 981 HZ1 LYS 38 3HZ LYS 38 -4.341 -10.986 -8.706 982 HZ2 LYS 38 1HZ LYS 38 -3.617 -10.328 -7.329 983 HZ3 LYS 38 2HZ LYS 38 -3.395 -9.591 -8.833 984 H TYR 39 H TYR 39 -7.297 -6.324 -3.296 985 HA TYR 39 HA TYR 39 -8.078 -3.556 -3.635 986 HB2 TYR 39 2HB TYR 39 -6.339 -4.867 -1.500 987 HB3 TYR 39 1HB TYR 39 -7.012 -3.234 -1.433 988 HD1 TYR 39 HD2 TYR 39 -9.492 -2.906 -1.204 989 HD2 TYR 39 HD1 TYR 39 -7.740 -6.803 -0.995 990 HE1 TYR 39 HE2 TYR 39 -11.558 -3.784 -0.218 991 HE2 TYR 39 HE1 TYR 39 -9.810 -7.679 -0.028 992 HH TYR 39 HH TYR 39 -12.727 -5.918 0.012 993 H ASP 40 H ASP 40 -6.771 -1.967 -4.214 994 HA ASP 40 HA ASP 40 -3.940 -2.484 -4.963 995 HB2 ASP 40 2HB ASP 40 -5.666 -2.423 -6.885 996 HB3 ASP 40 1HB ASP 40 -5.907 -0.723 -6.519 997 H ILE 41 H ILE 41 -2.526 -0.933 -4.247 998 HA ILE 41 HA ILE 41 -3.561 1.621 -3.213 999 HB ILE 41 HB ILE 41 -3.385 0.326 -1.183 1000 HG12 ILE 41 2HG1 ILE 41 -0.946 2.151 -1.368 1001 HG13 ILE 41 1HG1 ILE 41 -2.595 2.693 -1.087 1002 HG21 ILE 41 1HG2 ILE 41 -1.339 -0.803 -0.403 1003 HG22 ILE 41 2HG2 ILE 41 -0.546 -0.409 -1.929 1004 HG23 ILE 41 3HG2 ILE 41 -1.933 -1.498 -1.915 1005 HD11 ILE 41 3HD1 ILE 41 -1.326 2.679 0.965 1006 HD12 ILE 41 1HD1 ILE 41 -0.949 0.969 0.762 1007 HD13 ILE 41 2HD1 ILE 41 -2.616 1.480 1.045 1008 H ARG 42 H ARG 42 -2.695 2.983 -4.436 1009 HA ARG 42 HA ARG 42 0.084 3.076 -5.289 1010 HB2 ARG 42 2HB ARG 42 -0.753 1.307 -6.789 1011 HB3 ARG 42 1HB ARG 42 -2.104 2.318 -7.285 1012 HG2 ARG 42 2HG ARG 42 -0.602 3.840 -8.456 1013 HG3 ARG 42 1HG ARG 42 0.811 2.977 -7.853 1014 HD2 ARG 42 2HD ARG 42 -1.281 1.707 -9.643 1015 HD3 ARG 42 1HD ARG 42 0.168 2.512 -10.257 1016 HE ARG 42 HE ARG 42 1.516 0.844 -9.231 1017 HH11 ARG 42 1HH1 ARG 42 -1.911 0.082 -9.150 1018 HH12 ARG 42 2HH1 ARG 42 -1.648 -1.603 -8.862 1019 HH21 ARG 42 1HH2 ARG 42 1.832 -1.333 -8.729 1020 HH22 ARG 42 2HH2 ARG 42 0.472 -2.401 -8.624 1021 H THR 43 H THR 43 0.458 4.990 -6.810 1022 HA THR 43 HA THR 43 -1.502 7.114 -6.347 1023 HB THR 43 HB THR 43 1.408 7.285 -7.284 1024 HG1 THR 43 HG1 THR 43 0.312 7.069 -4.795 1025 HG21 THR 43 3HG2 THR 43 0.046 9.185 -8.084 1026 HG22 THR 43 1HG2 THR 43 1.161 9.716 -6.818 1027 HG23 THR 43 2HG2 THR 43 -0.547 9.463 -6.443 1028 H TRP 44 H TRP 44 -2.795 7.370 -8.037 1029 HA TRP 44 HA TRP 44 -2.116 6.289 -10.723 1030 HB2 TRP 44 2HB TRP 44 -4.820 6.564 -9.308 1031 HB3 TRP 44 1HB TRP 44 -4.655 6.180 -11.015 1032 HD1 TRP 44 HD1 TRP 44 -4.294 4.579 -7.538 1033 HE1 TRP 44 HE1 TRP 44 -4.315 2.015 -7.852 1034 HE3 TRP 44 HE3 TRP 44 -3.888 4.349 -12.641 1035 HZ2 TRP 44 HZ2 TRP 44 -4.101 0.161 -9.940 1036 HZ3 TRP 44 HZ3 TRP 44 -3.796 2.133 -13.718 1037 HH2 TRP 44 HH2 TRP 44 -3.899 0.077 -12.390 1038 H SER 45 H SER 45 -3.053 7.532 -12.494 1039 HA SER 45 HA SER 45 -3.102 10.386 -12.177 1040 HB2 SER 45 2HB SER 45 -3.945 10.359 -14.559 1041 HB3 SER 45 1HB SER 45 -2.475 9.407 -14.338 1042 HG SER 45 HG SER 45 -4.051 8.325 -15.565 1043 HA PRO 46 HA PRO 46 -7.475 10.968 -10.961 1044 HB2 PRO 46 2HB PRO 46 -8.111 13.188 -12.582 1045 HB3 PRO 46 1HB PRO 46 -7.324 13.283 -10.995 1046 HG2 PRO 46 2HG PRO 46 -6.067 13.334 -13.718 1047 HG3 PRO 46 1HG PRO 46 -5.682 14.313 -12.283 1048 HD2 PRO 46 2HD PRO 46 -4.124 12.240 -12.950 1049 HD3 PRO 46 1HD PRO 46 -4.495 12.563 -11.240 1050 H ASP 47 H ASP 47 -6.477 10.762 -14.302 1051 HA ASP 47 HA ASP 47 -9.086 10.052 -15.368 1052 HB2 ASP 47 2HB ASP 47 -6.349 10.025 -16.731 1053 HB3 ASP 47 1HB ASP 47 -7.911 9.928 -17.536 1054 H HIS 48 H HIS 48 -6.565 8.393 -13.802 1055 HA HIS 48 HA HIS 48 -6.240 6.271 -13.188 1056 HB2 HIS 48 2HB HIS 48 -9.118 6.160 -14.038 1057 HB3 HIS 48 1HB HIS 48 -8.321 4.648 -13.631 1058 HD1 HIS 48 HD1 HIS 48 -10.555 5.230 -11.874 1059 HD2 HIS 48 HD2 HIS 48 -6.793 6.822 -11.133 1060 HE1 HIS 48 HE1 HIS 48 -10.459 5.653 -9.406 1061 HE2 HIS 48 HE2 HIS 48 -8.136 6.455 -8.975 1062 H GLU 49 H GLU 49 -5.632 7.037 -16.087 1063 HA GLU 49 HA GLU 49 -5.431 4.306 -17.222 1064 HB2 GLU 49 2HB GLU 49 -4.976 5.629 -19.443 1065 HB3 GLU 49 1HB GLU 49 -6.620 5.472 -18.850 1066 HG2 GLU 49 2HG GLU 49 -6.278 7.714 -19.677 1067 HG3 GLU 49 1HG GLU 49 -6.518 7.763 -17.936 1068 H LYS 50 H LYS 50 -3.680 6.532 -15.561 1069 HA LYS 50 HA LYS 50 -1.122 5.378 -16.491 1070 HB2 LYS 50 2HB LYS 50 -1.718 8.205 -15.554 1071 HB3 LYS 50 1HB LYS 50 -0.087 7.560 -15.556 1072 HG2 LYS 50 2HG LYS 50 -1.721 7.614 -18.096 1073 HG3 LYS 50 1HG LYS 50 -0.885 9.053 -17.523 1074 HD2 LYS 50 2HD LYS 50 0.609 8.071 -19.068 1075 HD3 LYS 50 1HD LYS 50 1.256 7.649 -17.490 1076 HE2 LYS 50 2HE LYS 50 0.228 5.395 -17.704 1077 HE3 LYS 50 1HE LYS 50 -0.355 5.828 -19.312 1078 HZ1 LYS 50 3HZ LYS 50 1.685 4.568 -19.429 1079 HZ2 LYS 50 1HZ LYS 50 2.490 5.707 -18.478 1080 HZ3 LYS 50 2HZ LYS 50 1.934 6.129 -20.017 1081 H MET 51 H MET 51 0.382 4.904 -14.919 1082 HA MET 51 HA MET 51 -0.512 4.671 -12.115 1083 HB2 MET 51 2HB MET 51 0.073 2.267 -12.113 1084 HB3 MET 51 1HB MET 51 -1.195 2.596 -13.281 1085 HG2 MET 51 2HG MET 51 0.497 2.533 -15.105 1086 HG3 MET 51 1HG MET 51 1.735 2.143 -13.914 1087 HE1 MET 51 3HE MET 51 -1.728 -0.677 -15.101 1088 HE2 MET 51 1HE MET 51 -1.440 0.888 -15.857 1089 HE3 MET 51 2HE MET 51 -2.027 0.803 -14.192 1090 H GLY 52 H GLY 52 1.279 3.987 -10.681 1091 HA2 GLY 52 2HA GLY 52 4.009 3.993 -11.705 1092 HA3 GLY 52 1HA GLY 52 3.579 5.340 -10.659 1093 H LYS 53 H LYS 53 4.740 4.902 -8.846 1094 HA LYS 53 HA LYS 53 5.307 2.393 -7.747 1095 HB2 LYS 53 2HB LYS 53 5.262 5.161 -6.482 1096 HB3 LYS 53 1HB LYS 53 5.806 3.735 -5.605 1097 HG2 LYS 53 2HG LYS 53 7.048 4.752 -8.185 1098 HG3 LYS 53 1HG LYS 53 7.678 5.068 -6.564 1099 HD2 LYS 53 2HD LYS 53 8.050 2.653 -6.213 1100 HD3 LYS 53 1HD LYS 53 7.354 2.297 -7.796 1101 HE2 LYS 53 2HE LYS 53 9.891 3.899 -7.309 1102 HE3 LYS 53 1HE LYS 53 9.821 2.216 -7.834 1103 HZ1 LYS 53 3HZ LYS 53 8.665 2.949 -9.843 1104 HZ2 LYS 53 1HZ LYS 53 10.185 3.672 -9.701 1105 HZ3 LYS 53 2HZ LYS 53 8.792 4.559 -9.346 1106 H GLY 54 H GLY 54 3.912 0.937 -6.979 1107 HA2 GLY 54 2HA GLY 54 2.308 1.355 -4.728 1108 HA3 GLY 54 1HA GLY 54 1.287 1.335 -6.166 1109 H ILE 55 H ILE 55 0.679 -0.581 -4.588 1110 HA ILE 55 HA ILE 55 1.893 -3.062 -5.581 1111 HB ILE 55 HB ILE 55 3.207 -2.626 -3.567 1112 HG12 ILE 55 2HG1 ILE 55 1.139 -4.806 -3.039 1113 HG13 ILE 55 1HG1 ILE 55 2.656 -4.988 -3.909 1114 HG21 ILE 55 1HG2 ILE 55 1.690 -1.046 -2.443 1115 HG22 ILE 55 2HG2 ILE 55 2.262 -2.293 -1.333 1116 HG23 ILE 55 3HG2 ILE 55 0.628 -2.383 -1.994 1117 HD11 ILE 55 3HD1 ILE 55 3.880 -4.519 -1.825 1118 HD12 ILE 55 1HD1 ILE 55 2.840 -5.938 -1.716 1119 HD13 ILE 55 2HD1 ILE 55 2.340 -4.423 -0.964 1120 H THR 56 H THR 56 0.517 -4.827 -5.454 1121 HA THR 56 HA THR 56 -2.364 -4.287 -5.050 1122 HB THR 56 HB THR 56 -2.673 -6.486 -6.308 1123 HG1 THR 56 HG1 THR 56 -0.182 -6.873 -5.810 1124 HG21 THR 56 3HG2 THR 56 -2.114 -5.596 -8.538 1125 HG22 THR 56 1HG2 THR 56 -1.068 -4.380 -7.801 1126 HG23 THR 56 2HG2 THR 56 -2.811 -4.330 -7.523 1127 H LEU 57 H LEU 57 -3.602 -5.675 -3.746 1128 HA LEU 57 HA LEU 57 -2.245 -7.472 -1.841 1129 HB2 LEU 57 2HB LEU 57 -4.295 -5.314 -1.139 1130 HB3 LEU 57 1HB LEU 57 -3.608 -6.469 -0.008 1131 HG LEU 57 HG LEU 57 -2.053 -4.257 -1.419 1132 HD11 LEU 57 1HD1 LEU 57 -2.969 -4.412 1.469 1133 HD12 LEU 57 2HD1 LEU 57 -3.599 -3.330 0.223 1134 HD13 LEU 57 3HD1 LEU 57 -1.933 -3.161 0.768 1135 HD21 LEU 57 3HD2 LEU 57 -0.202 -4.845 0.102 1136 HD22 LEU 57 1HD2 LEU 57 -0.620 -6.177 -0.975 1137 HD23 LEU 57 2HD2 LEU 57 -1.137 -6.215 0.714 1138 H SER 58 H SER 58 -3.482 -9.230 -1.273 1139 HA SER 58 HA SER 58 -5.960 -9.812 -2.714 1140 HB2 SER 58 2HB SER 58 -4.445 -11.575 -0.722 1141 HB3 SER 58 1HB SER 58 -5.672 -12.097 -1.875 1142 HG SER 58 HG SER 58 -2.997 -11.401 -2.294 1143 H GLU 59 H GLU 59 -7.795 -10.773 -1.399 1144 HA GLU 59 HA GLU 59 -8.691 -8.962 0.544 1145 HB2 GLU 59 2HB GLU 59 -9.734 -11.760 -0.056 1146 HB3 GLU 59 1HB GLU 59 -10.608 -10.500 0.817 1147 HG2 GLU 59 2HG GLU 59 -10.481 -9.060 -1.242 1148 HG3 GLU 59 1HG GLU 59 -9.754 -10.417 -2.099 1149 H GLU 60 H GLU 60 -7.173 -12.169 0.878 1150 HA GLU 60 HA GLU 60 -7.329 -12.618 3.631 1151 HB2 GLU 60 2HB GLU 60 -4.963 -13.239 1.803 1152 HB3 GLU 60 1HB GLU 60 -5.285 -14.000 3.360 1153 HG2 GLU 60 2HG GLU 60 -7.256 -15.103 2.479 1154 HG3 GLU 60 1HG GLU 60 -7.109 -14.229 0.952 1155 H GLU 61 H GLU 61 -4.774 -11.007 1.781 1156 HA GLU 61 HA GLU 61 -2.978 -10.607 3.966 1157 HB2 GLU 61 2HB GLU 61 -2.953 -9.323 1.195 1158 HB3 GLU 61 1HB GLU 61 -1.571 -9.531 2.274 1159 HG2 GLU 61 2HG GLU 61 -1.559 -11.909 1.965 1160 HG3 GLU 61 1HG GLU 61 -3.137 -11.887 1.182 1161 H PHE 62 H PHE 62 -5.035 -8.484 2.030 1162 HA PHE 62 HA PHE 62 -4.622 -6.064 3.414 1163 HB2 PHE 62 2HB PHE 62 -5.594 -6.214 1.129 1164 HB3 PHE 62 1HB PHE 62 -7.038 -6.970 1.787 1165 HD1 PHE 62 HD2 PHE 62 -5.049 -3.831 1.756 1166 HD2 PHE 62 HD1 PHE 62 -8.819 -5.620 2.683 1167 HE1 PHE 62 HE2 PHE 62 -6.035 -1.605 2.075 1168 HE2 PHE 62 HE1 PHE 62 -9.784 -3.392 2.999 1169 HZ PHE 62 HZ PHE 62 -8.404 -1.396 2.696 1170 H GLY 63 H GLY 63 -6.889 -8.780 3.911 1171 HA2 GLY 63 2HA GLY 63 -8.452 -7.731 5.984 1172 HA3 GLY 63 1HA GLY 63 -8.066 -9.427 5.753 1173 H VAL 64 H VAL 64 -5.338 -9.486 6.127 1174 HA VAL 64 HA VAL 64 -4.926 -9.458 8.912 1175 HB VAL 64 HB VAL 64 -2.839 -9.407 6.693 1176 HG11 VAL 64 1HG1 VAL 64 -1.815 -8.798 8.840 1177 HG12 VAL 64 2HG1 VAL 64 -1.265 -10.394 8.319 1178 HG13 VAL 64 3HG1 VAL 64 -2.489 -10.252 9.586 1179 HG21 VAL 64 3HG2 VAL 64 -4.056 -11.794 8.120 1180 HG22 VAL 64 1HG2 VAL 64 -2.778 -11.860 6.904 1181 HG23 VAL 64 2HG2 VAL 64 -4.389 -11.305 6.457 1182 H LEU 65 H LEU 65 -4.148 -7.084 6.359 1183 HA LEU 65 HA LEU 65 -2.723 -5.178 7.846 1184 HB2 LEU 65 2HB LEU 65 -3.029 -5.265 5.332 1185 HB3 LEU 65 1HB LEU 65 -4.658 -4.657 5.559 1186 HG LEU 65 HG LEU 65 -3.597 -2.568 6.638 1187 HD11 LEU 65 1HD1 LEU 65 -1.275 -2.059 6.105 1188 HD12 LEU 65 2HD1 LEU 65 -1.058 -3.669 5.411 1189 HD13 LEU 65 3HD1 LEU 65 -1.394 -3.486 7.133 1190 HD21 LEU 65 3HD2 LEU 65 -3.121 -1.512 4.479 1191 HD22 LEU 65 1HD2 LEU 65 -4.543 -2.548 4.374 1192 HD23 LEU 65 2HD2 LEU 65 -3.002 -3.096 3.706 1193 H LEU 66 H LEU 66 -6.264 -5.419 7.143 1194 HA LEU 66 HA LEU 66 -7.195 -3.181 8.518 1195 HB2 LEU 66 2HB LEU 66 -8.576 -5.859 8.053 1196 HB3 LEU 66 1HB LEU 66 -9.399 -4.405 8.598 1197 HG LEU 66 HG LEU 66 -8.034 -4.775 5.913 1198 HD11 LEU 66 1HD1 LEU 66 -10.986 -4.531 6.544 1199 HD12 LEU 66 2HD1 LEU 66 -10.141 -6.005 6.066 1200 HD13 LEU 66 3HD1 LEU 66 -10.258 -4.659 4.937 1201 HD21 LEU 66 3HD2 LEU 66 -7.778 -2.478 6.653 1202 HD22 LEU 66 1HD2 LEU 66 -9.509 -2.353 6.983 1203 HD23 LEU 66 2HD2 LEU 66 -8.931 -2.568 5.329 1204 H LYS 67 H LYS 67 -6.738 -6.509 9.665 1205 HA LYS 67 HA LYS 67 -7.866 -6.325 12.242 1206 HB2 LYS 67 2HB LYS 67 -5.683 -8.129 11.122 1207 HB3 LYS 67 1HB LYS 67 -6.437 -8.377 12.695 1208 HG2 LYS 67 2HG LYS 67 -8.548 -8.906 11.724 1209 HG3 LYS 67 1HG LYS 67 -8.059 -8.305 10.137 1210 HD2 LYS 67 2HD LYS 67 -8.119 -10.844 10.354 1211 HD3 LYS 67 1HD LYS 67 -6.594 -10.175 9.770 1212 HE2 LYS 67 2HE LYS 67 -5.578 -10.449 11.954 1213 HE3 LYS 67 1HE LYS 67 -7.111 -10.984 12.656 1214 HZ1 LYS 67 3HZ LYS 67 -5.698 -12.851 12.218 1215 HZ2 LYS 67 1HZ LYS 67 -5.502 -12.399 10.601 1216 HZ3 LYS 67 2HZ LYS 67 -7.010 -12.909 11.160 1217 H GLU 68 H GLU 68 -4.466 -6.191 11.207 1218 HA GLU 68 HA GLU 68 -3.401 -5.665 13.778 1219 HB2 GLU 68 2HB GLU 68 -2.219 -5.540 10.994 1220 HB3 GLU 68 1HB GLU 68 -1.271 -5.190 12.432 1221 HG2 GLU 68 2HG GLU 68 -2.704 -7.816 11.923 1222 HG3 GLU 68 1HG GLU 68 -0.997 -7.523 11.589 1223 H LEU 69 H LEU 69 -4.469 -3.573 11.158 1224 HA LEU 69 HA LEU 69 -3.462 -1.132 12.287 1225 HB2 LEU 69 2HB LEU 69 -5.661 -1.614 10.237 1226 HB3 LEU 69 1HB LEU 69 -5.137 -0.011 10.735 1227 HG LEU 69 HG LEU 69 -3.433 -2.079 9.297 1228 HD11 LEU 69 1HD1 LEU 69 -5.075 -1.043 7.835 1229 HD12 LEU 69 2HD1 LEU 69 -3.444 -0.524 7.420 1230 HD13 LEU 69 3HD1 LEU 69 -4.517 0.565 8.307 1231 HD21 LEU 69 3HD2 LEU 69 -1.688 -0.389 9.164 1232 HD22 LEU 69 1HD2 LEU 69 -2.045 -0.788 10.843 1233 HD23 LEU 69 2HD2 LEU 69 -2.650 0.721 10.148 1234 H GLY 70 H GLY 70 -6.493 -2.949 12.522 1235 HA2 GLY 70 2HA GLY 70 -8.003 -1.228 14.134 1236 HA3 GLY 70 1HA GLY 70 -8.124 -2.979 14.118 1237 H ASN 71 H ASN 71 -5.525 -3.602 15.027 1238 HA ASN 71 HA ASN 71 -5.708 -3.252 17.882 1239 HB2 ASN 71 2HB ASN 71 -3.366 -4.268 16.197 1240 HB3 ASN 71 1HB ASN 71 -3.415 -4.299 17.963 1241 HD21 ASN 71 1HD2 ASN 71 -4.408 -5.896 15.099 1242 HD22 ASN 71 2HD2 ASN 71 -5.251 -7.188 15.851 1243 H LYS 72 H LYS 72 -3.353 -2.082 15.517 1244 HA LYS 72 HA LYS 72 -2.032 -0.133 16.925 1245 HB2 LYS 72 2HB LYS 72 -2.790 -0.054 13.988 1246 HB3 LYS 72 1HB LYS 72 -1.656 1.080 14.727 1247 HG2 LYS 72 2HG LYS 72 -0.205 -0.801 15.392 1248 HG3 LYS 72 1HG LYS 72 -1.326 -1.935 14.633 1249 HD2 LYS 72 2HD LYS 72 -0.909 -0.805 12.437 1250 HD3 LYS 72 1HD LYS 72 0.259 0.239 13.242 1251 HE2 LYS 72 2HE LYS 72 0.450 -2.770 12.952 1252 HE3 LYS 72 1HE LYS 72 1.405 -1.572 12.082 1253 HZ1 LYS 72 3HZ LYS 72 1.465 -2.018 15.013 1254 HZ2 LYS 72 1HZ LYS 72 2.397 -0.890 14.170 1255 HZ3 LYS 72 2HZ LYS 72 2.633 -2.545 13.918 1256 H LEU 73 H LEU 73 -5.316 0.231 15.618 1257 HA LEU 73 HA LEU 73 -5.593 2.997 16.252 1258 HB2 LEU 73 2HB LEU 73 -7.708 0.836 15.927 1259 HB3 LEU 73 1HB LEU 73 -8.108 2.517 16.239 1260 HG LEU 73 HG LEU 73 -6.717 1.416 13.770 1261 HD11 LEU 73 1HD1 LEU 73 -9.118 1.004 13.790 1262 HD12 LEU 73 2HD1 LEU 73 -8.690 2.183 12.551 1263 HD13 LEU 73 3HD1 LEU 73 -9.434 2.722 14.060 1264 HD21 LEU 73 3HD2 LEU 73 -7.317 4.320 14.424 1265 HD22 LEU 73 1HD2 LEU 73 -6.738 3.705 12.872 1266 HD23 LEU 73 2HD2 LEU 73 -5.721 3.577 14.300 1267 H GLU 74 H GLU 74 -5.733 0.096 18.155 1268 HA GLU 74 HA GLU 74 -6.708 1.432 20.576 1269 HB2 GLU 74 2HB GLU 74 -5.792 -1.457 20.180 1270 HB3 GLU 74 1HB GLU 74 -6.679 -0.823 21.559 1271 HG2 GLU 74 2HG GLU 74 -7.754 -1.024 18.728 1272 HG3 GLU 74 1HG GLU 74 -8.097 -2.156 20.036 1273 H HIS 75 H HIS 75 -3.829 1.597 19.105 1274 HA HIS 75 HA HIS 75 -2.051 0.780 21.293 1275 HB2 HIS 75 2HB HIS 75 -1.375 0.230 18.980 1276 HB3 HIS 75 1HB HIS 75 -1.418 1.929 18.531 1277 HD1 HIS 75 HD1 HIS 75 0.499 -0.276 21.007 1278 HD2 HIS 75 HD2 HIS 75 1.045 3.113 18.663 1279 HE1 HIS 75 HE1 HIS 75 2.899 0.377 21.300 1280 HE2 HIS 75 HE2 HIS 75 3.153 2.509 20.003 1281 H HIS 76 H HIS 76 -3.511 2.565 22.428 1282 HA HIS 76 HA HIS 76 -3.366 4.250 23.922 1283 HB2 HIS 76 2HB HIS 76 -1.057 3.254 24.229 1284 HB3 HIS 76 1HB HIS 76 -0.427 4.453 23.110 1285 HD1 HIS 76 HD1 HIS 76 0.252 6.672 24.089 1286 HD2 HIS 76 HD2 HIS 76 -2.099 4.444 26.688 1287 HE1 HIS 76 HE1 HIS 76 0.308 7.894 26.279 1288 HE2 HIS 76 HE2 HIS 76 -1.048 6.485 27.848 1289 H HIS 77 H HIS 77 -3.475 4.842 20.778 1290 HA HIS 77 HA HIS 77 -2.435 7.403 20.266 1291 HB2 HIS 77 2HB HIS 77 -4.670 5.812 18.946 1292 HB3 HIS 77 1HB HIS 77 -4.138 7.373 18.327 1293 HD1 HIS 77 HD1 HIS 77 -3.910 5.033 16.491 1294 HD2 HIS 77 HD2 HIS 77 -0.853 6.155 19.069 1295 HE1 HIS 77 HE1 HIS 77 -1.795 4.166 15.454 1296 HE2 HIS 77 HE2 HIS 77 0.037 5.083 16.907 1297 H HIS 78 H HIS 78 -5.561 6.361 21.508 1298 HA HIS 78 HA HIS 78 -6.838 8.899 21.528 1299 HB2 HIS 78 2HB HIS 78 -8.170 6.810 21.655 1300 HB3 HIS 78 1HB HIS 78 -7.437 6.433 23.218 1301 HD1 HIS 78 HD1 HIS 78 -9.618 9.094 21.609 1302 HD2 HIS 78 HD2 HIS 78 -8.779 7.552 25.375 1303 HE1 HIS 78 HE1 HIS 78 -11.180 10.257 23.183 1304 HE2 HIS 78 HE2 HIS 78 -10.620 9.348 25.458 1305 H HIS 79 H HIS 79 -6.231 10.545 22.720 1306 HA HIS 79 HA HIS 79 -5.437 10.384 25.485 1307 HB2 HIS 79 2HB HIS 79 -3.373 9.733 23.965 1308 HB3 HIS 79 1HB HIS 79 -3.287 11.447 23.587 1309 HD1 HIS 79 HD1 HIS 79 -1.954 12.846 25.209 1310 HD2 HIS 79 HD2 HIS 79 -3.001 9.159 26.820 1311 HE1 HIS 79 HE1 HIS 79 -0.752 12.692 27.392 1312 HE2 HIS 79 HE2 HIS 79 -1.294 10.413 28.291 1313 H HIS 80 H HIS 80 -3.945 13.035 24.897 1314 HA HIS 80 HA HIS 80 -5.248 15.129 24.099 1315 HB2 HIS 80 2HB HIS 80 -6.779 16.051 25.843 1316 HB3 HIS 80 1HB HIS 80 -7.402 14.612 25.057 1317 HD1 HIS 80 HD1 HIS 80 -6.579 16.028 28.355 1318 HD2 HIS 80 HD2 HIS 80 -7.449 12.266 26.801 1319 HE1 HIS 80 HE1 HIS 80 -7.199 14.597 30.326 1320 HE2 HIS 80 HE2 HIS 80 -7.458 12.299 29.373 Start of MODEL 18 1 H1 MET 1 1H MET 1 19.437 18.180 -5.190 2 H2 MET 1 2H MET 1 19.611 17.264 -3.780 3 H3 MET 1 3H MET 1 18.366 16.907 -4.863 4 HA MET 1 HA MET 1 19.917 16.258 -6.535 5 HB2 MET 1 2HB MET 1 21.758 17.797 -5.819 6 HB3 MET 1 1HB MET 1 22.061 16.774 -4.423 7 HG2 MET 1 2HG MET 1 22.760 14.938 -5.884 8 HG3 MET 1 1HG MET 1 22.366 15.892 -7.313 9 HE1 MET 1 3HE MET 1 23.784 17.955 -8.166 10 HE2 MET 1 1HE MET 1 25.127 18.664 -7.269 11 HE3 MET 1 2HE MET 1 23.484 18.797 -6.644 12 H ALA 2 H ALA 2 18.426 14.582 -5.991 13 HA ALA 2 HA ALA 2 19.258 12.572 -4.005 14 HB1 ALA 2 3HB ALA 2 17.076 11.513 -4.426 15 HB2 ALA 2 1HB ALA 2 16.733 12.688 -5.703 16 HB3 ALA 2 2HB ALA 2 16.878 13.220 -4.028 17 H ASP 3 H ASP 3 21.119 11.861 -5.057 18 HA ASP 3 HA ASP 3 21.299 10.957 -7.758 19 HB2 ASP 3 2HB ASP 3 23.026 10.076 -5.390 20 HB3 ASP 3 1HB ASP 3 23.461 9.981 -7.095 21 H LYS 4 H LYS 4 21.025 9.283 -4.677 22 HA LYS 4 HA LYS 4 19.599 6.994 -5.884 23 HB2 LYS 4 2HB LYS 4 22.052 6.426 -5.506 24 HB3 LYS 4 1HB LYS 4 21.828 6.771 -3.794 25 HG2 LYS 4 2HG LYS 4 20.030 4.932 -3.803 26 HG3 LYS 4 1HG LYS 4 20.610 4.508 -5.415 27 HD2 LYS 4 2HD LYS 4 22.256 4.487 -2.862 28 HD3 LYS 4 1HD LYS 4 21.607 3.066 -3.677 29 HE2 LYS 4 2HE LYS 4 23.061 3.446 -5.597 30 HE3 LYS 4 1HE LYS 4 23.626 4.976 -4.915 31 HZ1 LYS 4 3HZ LYS 4 24.058 2.291 -3.715 32 HZ2 LYS 4 1HZ LYS 4 24.606 3.759 -3.080 33 HZ3 LYS 4 2HZ LYS 4 25.216 3.198 -4.552 34 H LEU 5 H LEU 5 18.145 5.978 -4.336 35 HA LEU 5 HA LEU 5 17.511 7.574 -1.944 36 HB2 LEU 5 2HB LEU 5 15.977 5.233 -3.146 37 HB3 LEU 5 1HB LEU 5 15.475 6.200 -1.768 38 HG LEU 5 HG LEU 5 15.559 7.031 -4.692 39 HD11 LEU 5 1HD1 LEU 5 13.174 7.426 -4.393 40 HD12 LEU 5 2HD1 LEU 5 13.283 6.956 -2.694 41 HD13 LEU 5 3HD1 LEU 5 13.586 5.766 -3.966 42 HD21 LEU 5 3HD2 LEU 5 14.822 9.284 -4.020 43 HD22 LEU 5 1HD2 LEU 5 16.439 8.927 -3.416 44 HD23 LEU 5 2HD2 LEU 5 15.057 8.865 -2.320 45 H LYS 6 H LYS 6 17.864 6.734 0.062 46 HA LYS 6 HA LYS 6 19.240 4.105 0.306 47 HB2 LYS 6 2HB LYS 6 19.510 6.521 2.170 48 HB3 LYS 6 1HB LYS 6 20.430 5.022 2.254 49 HG2 LYS 6 2HG LYS 6 20.608 7.101 0.048 50 HG3 LYS 6 1HG LYS 6 21.780 6.877 1.345 51 HD2 LYS 6 2HD LYS 6 21.111 4.738 -0.712 52 HD3 LYS 6 1HD LYS 6 22.424 5.897 -0.902 53 HE2 LYS 6 2HE LYS 6 22.213 3.981 1.446 54 HE3 LYS 6 1HE LYS 6 23.134 3.650 -0.022 55 HZ1 LYS 6 3HZ LYS 6 24.560 4.521 1.683 56 HZ2 LYS 6 1HZ LYS 6 23.603 5.901 1.846 57 HZ3 LYS 6 2HZ LYS 6 24.458 5.631 0.415 58 H PHE 7 H PHE 7 18.459 2.840 2.252 59 HA PHE 7 HA PHE 7 15.940 3.847 3.390 60 HB2 PHE 7 2HB PHE 7 14.930 1.569 3.082 61 HB3 PHE 7 1HB PHE 7 15.243 2.391 1.568 62 HD1 PHE 7 HD1 PHE 7 17.079 1.586 0.043 63 HD2 PHE 7 HD2 PHE 7 16.077 -0.525 3.640 64 HE1 PHE 7 HE1 PHE 7 18.302 -0.398 -0.768 65 HE2 PHE 7 HE2 PHE 7 17.302 -2.492 2.815 66 HZ PHE 7 HZ PHE 7 18.411 -2.433 0.618 67 H GLU 8 H GLU 8 15.764 3.443 5.557 68 HA GLU 8 HA GLU 8 17.340 1.242 6.718 69 HB2 GLU 8 2HB GLU 8 18.499 3.392 7.259 70 HB3 GLU 8 1HB GLU 8 17.010 4.012 7.972 71 HG2 GLU 8 2HG GLU 8 17.075 2.336 9.732 72 HG3 GLU 8 1HG GLU 8 18.434 1.516 8.965 73 H ILE 9 H ILE 9 16.015 -0.087 7.820 74 HA ILE 9 HA ILE 9 13.186 0.498 7.979 75 HB ILE 9 HB ILE 9 14.690 -1.949 9.026 76 HG12 ILE 9 2HG1 ILE 9 13.213 -1.567 6.372 77 HG13 ILE 9 1HG1 ILE 9 14.961 -1.646 6.556 78 HG21 ILE 9 1HG2 ILE 9 12.475 -3.057 9.028 79 HG22 ILE 9 2HG2 ILE 9 11.714 -1.556 8.501 80 HG23 ILE 9 3HG2 ILE 9 12.470 -1.648 10.093 81 HD11 ILE 9 3HD1 ILE 9 13.013 -3.888 7.101 82 HD12 ILE 9 1HD1 ILE 9 14.762 -3.965 7.335 83 HD13 ILE 9 2HD1 ILE 9 14.098 -3.732 5.720 84 H ILE 10 H ILE 10 12.549 1.792 9.494 85 HA ILE 10 HA ILE 10 13.982 2.321 11.955 86 HB ILE 10 HB ILE 10 11.425 3.513 10.792 87 HG12 ILE 10 2HG1 ILE 10 13.309 4.051 9.373 88 HG13 ILE 10 1HG1 ILE 10 12.927 5.501 10.291 89 HG21 ILE 10 1HG2 ILE 10 11.357 3.812 13.206 90 HG22 ILE 10 2HG2 ILE 10 11.685 5.363 12.431 91 HG23 ILE 10 3HG2 ILE 10 12.997 4.473 13.210 92 HD11 ILE 10 3HD1 ILE 10 15.306 5.222 10.117 93 HD12 ILE 10 1HD1 ILE 10 15.218 3.597 10.788 94 HD13 ILE 10 2HD1 ILE 10 14.834 4.992 11.800 95 H GLU 11 H GLU 11 10.937 0.830 10.919 96 HA GLU 11 HA GLU 11 10.864 -0.845 13.278 97 HB2 GLU 11 2HB GLU 11 9.770 1.316 14.077 98 HB3 GLU 11 1HB GLU 11 8.507 1.062 12.878 99 HG2 GLU 11 2HG GLU 11 7.866 -1.052 14.007 100 HG3 GLU 11 1HG GLU 11 9.137 -0.797 15.203 101 H GLU 12 H GLU 12 9.503 -2.651 12.951 102 HA GLU 12 HA GLU 12 8.352 -2.974 10.234 103 HB2 GLU 12 2HB GLU 12 9.281 -5.049 12.267 104 HB3 GLU 12 1HB GLU 12 8.582 -5.428 10.689 105 HG2 GLU 12 2HG GLU 12 10.435 -4.382 9.529 106 HG3 GLU 12 1HG GLU 12 11.090 -3.751 11.040 107 H LEU 13 H LEU 13 6.149 -3.184 10.004 108 HA LEU 13 HA LEU 13 4.646 -2.738 12.537 109 HB2 LEU 13 2HB LEU 13 3.782 -2.059 9.701 110 HB3 LEU 13 1HB LEU 13 3.041 -1.508 11.194 111 HG LEU 13 HG LEU 13 5.778 -0.681 10.139 112 HD11 LEU 13 1HD1 LEU 13 4.795 1.559 9.924 113 HD12 LEU 13 2HD1 LEU 13 3.219 0.912 10.396 114 HD13 LEU 13 3HD1 LEU 13 3.987 0.371 8.903 115 HD21 LEU 13 3HD2 LEU 13 5.872 -0.777 12.563 116 HD22 LEU 13 1HD2 LEU 13 4.398 0.184 12.696 117 HD23 LEU 13 2HD2 LEU 13 5.869 0.899 12.028 118 H ILE 14 H ILE 14 4.109 -4.201 9.324 119 HA ILE 14 HA ILE 14 2.483 -6.390 10.465 120 HB ILE 14 HB ILE 14 1.553 -4.728 8.056 121 HG12 ILE 14 2HG1 ILE 14 0.463 -4.600 10.906 122 HG13 ILE 14 1HG1 ILE 14 1.356 -3.325 10.090 123 HG21 ILE 14 1HG2 ILE 14 0.803 -7.076 8.023 124 HG22 ILE 14 2HG2 ILE 14 -0.562 -5.983 8.262 125 HG23 ILE 14 3HG2 ILE 14 0.096 -6.882 9.630 126 HD11 ILE 14 3HD1 ILE 14 -0.464 -3.069 8.488 127 HD12 ILE 14 1HD1 ILE 14 -1.005 -2.841 10.148 128 HD13 ILE 14 2HD1 ILE 14 -1.375 -4.344 9.304 129 H VAL 15 H VAL 15 2.845 -8.331 9.363 130 HA VAL 15 HA VAL 15 4.049 -8.234 6.636 131 HB VAL 15 HB VAL 15 3.810 -10.640 8.510 132 HG11 VAL 15 1HG1 VAL 15 5.151 -10.450 5.778 133 HG12 VAL 15 2HG1 VAL 15 3.670 -11.336 6.144 134 HG13 VAL 15 3HG1 VAL 15 5.202 -11.855 6.849 135 HG21 VAL 15 3HG2 VAL 15 6.282 -9.043 7.718 136 HG22 VAL 15 1HG2 VAL 15 6.277 -10.506 8.710 137 HG23 VAL 15 2HG2 VAL 15 5.508 -9.034 9.306 138 H LEU 16 H LEU 16 2.640 -8.430 5.003 139 HA LEU 16 HA LEU 16 -0.174 -8.979 5.588 140 HB2 LEU 16 2HB LEU 16 1.151 -8.046 3.011 141 HB3 LEU 16 1HB LEU 16 -0.580 -8.113 3.305 142 HG LEU 16 HG LEU 16 1.349 -6.337 4.853 143 HD11 LEU 16 1HD1 LEU 16 1.201 -5.596 2.526 144 HD12 LEU 16 2HD1 LEU 16 0.418 -4.453 3.613 145 HD13 LEU 16 3HD1 LEU 16 -0.561 -5.552 2.635 146 HD21 LEU 16 3HD2 LEU 16 -0.655 -5.279 5.743 147 HD22 LEU 16 1HD2 LEU 16 -0.634 -6.992 6.142 148 HD23 LEU 16 2HD2 LEU 16 -1.684 -6.401 4.849 149 H SER 17 H SER 17 2.540 -10.446 3.901 150 HA SER 17 HA SER 17 1.543 -13.027 3.824 151 HB2 SER 17 2HB SER 17 -0.058 -12.175 2.089 152 HB3 SER 17 1HB SER 17 1.306 -11.719 1.072 153 HG SER 17 HG SER 17 0.174 -14.177 1.525 154 H GLU 18 H GLU 18 2.881 -14.465 2.395 155 HA GLU 18 HA GLU 18 5.651 -13.497 1.975 156 HB2 GLU 18 2HB GLU 18 5.536 -14.563 4.199 157 HB3 GLU 18 1HB GLU 18 4.815 -16.008 3.495 158 HG2 GLU 18 2HG GLU 18 6.887 -16.461 2.247 159 HG3 GLU 18 1HG GLU 18 7.604 -14.980 2.879 160 H ASN 19 H ASN 19 6.693 -14.430 0.214 161 HA ASN 19 HA ASN 19 4.895 -15.770 -1.734 162 HB2 ASN 19 2HB ASN 19 6.422 -13.770 -2.229 163 HB3 ASN 19 1HB ASN 19 7.788 -14.861 -2.121 164 HD21 ASN 19 1HD2 ASN 19 6.926 -13.170 -4.281 165 HD22 ASN 19 2HD2 ASN 19 6.683 -14.192 -5.653 166 H ALA 20 H ALA 20 5.669 -17.703 -2.989 167 HA ALA 20 HA ALA 20 6.958 -19.757 -1.453 168 HB1 ALA 20 3HB ALA 20 6.361 -19.696 -4.433 169 HB2 ALA 20 1HB ALA 20 5.263 -20.267 -3.175 170 HB3 ALA 20 2HB ALA 20 6.772 -21.128 -3.484 171 H LYS 21 H LYS 21 8.135 -17.190 -3.374 172 HA LYS 21 HA LYS 21 10.874 -18.248 -3.573 173 HB2 LYS 21 2HB LYS 21 9.782 -15.490 -4.302 174 HB3 LYS 21 1HB LYS 21 11.403 -16.077 -4.651 175 HG2 LYS 21 2HG LYS 21 8.805 -17.091 -5.848 176 HG3 LYS 21 1HG LYS 21 10.050 -16.151 -6.667 177 HD2 LYS 21 2HD LYS 21 10.312 -19.012 -5.658 178 HD3 LYS 21 1HD LYS 21 10.183 -18.497 -7.339 179 HE2 LYS 21 2HE LYS 21 12.495 -17.868 -5.467 180 HE3 LYS 21 1HE LYS 21 12.508 -19.061 -6.762 181 HZ1 LYS 21 3HZ LYS 21 12.232 -17.301 -8.366 182 HZ2 LYS 21 1HZ LYS 21 13.585 -16.995 -7.404 183 HZ3 LYS 21 2HZ LYS 21 12.150 -16.140 -7.143 184 H GLY 22 H GLY 22 8.884 -16.783 -1.365 185 HA2 GLY 22 2HA GLY 22 9.483 -16.547 0.903 186 HA3 GLY 22 1HA GLY 22 11.044 -15.900 0.424 187 H TRP 23 H TRP 23 9.733 -14.284 -1.735 188 HA TRP 23 HA TRP 23 10.082 -11.832 -0.603 189 HB2 TRP 23 2HB TRP 23 8.493 -12.647 -3.057 190 HB3 TRP 23 1HB TRP 23 8.618 -10.957 -2.589 191 HD1 TRP 23 HD1 TRP 23 11.157 -13.854 -3.219 192 HE1 TRP 23 HE1 TRP 23 13.164 -12.869 -4.459 193 HE3 TRP 23 HE3 TRP 23 9.660 -8.956 -3.435 194 HZ2 TRP 23 HZ2 TRP 23 14.003 -10.364 -5.446 195 HZ3 TRP 23 HZ3 TRP 23 11.132 -7.325 -4.558 196 HH2 TRP 23 HH2 TRP 23 13.265 -8.019 -5.540 197 H ARG 24 H ARG 24 9.047 -10.738 0.977 198 HA ARG 24 HA ARG 24 6.345 -11.620 1.744 199 HB2 ARG 24 2HB ARG 24 8.306 -10.017 3.441 200 HB3 ARG 24 1HB ARG 24 6.820 -10.804 3.966 201 HG2 ARG 24 2HG ARG 24 7.969 -13.022 3.340 202 HG3 ARG 24 1HG ARG 24 9.459 -12.082 3.216 203 HD2 ARG 24 2HD ARG 24 7.744 -12.572 5.662 204 HD3 ARG 24 1HD ARG 24 9.439 -12.996 5.414 205 HE ARG 24 HE ARG 24 9.261 -10.219 5.238 206 HH11 ARG 24 1HH1 ARG 24 8.733 -12.658 7.725 207 HH12 ARG 24 2HH1 ARG 24 9.119 -11.571 9.020 208 HH21 ARG 24 1HH2 ARG 24 9.691 -8.825 6.924 209 HH22 ARG 24 2HH2 ARG 24 9.663 -9.390 8.569 210 H LYS 25 H LYS 25 4.795 -10.286 1.083 211 HA LYS 25 HA LYS 25 5.358 -7.457 0.536 212 HB2 LYS 25 2HB LYS 25 2.937 -7.421 -0.223 213 HB3 LYS 25 1HB LYS 25 3.997 -8.491 -1.127 214 HG2 LYS 25 2HG LYS 25 3.089 -10.405 0.289 215 HG3 LYS 25 1HG LYS 25 1.885 -9.268 0.899 216 HD2 LYS 25 2HD LYS 25 2.283 -10.078 -2.008 217 HD3 LYS 25 1HD LYS 25 0.972 -10.610 -0.954 218 HE2 LYS 25 2HE LYS 25 0.136 -8.286 -0.823 219 HE3 LYS 25 1HE LYS 25 1.457 -7.752 -1.870 220 HZ1 LYS 25 3HZ LYS 25 -0.561 -9.780 -2.665 221 HZ2 LYS 25 1HZ LYS 25 0.604 -9.042 -3.652 222 HZ3 LYS 25 2HZ LYS 25 -0.681 -8.133 -3.030 223 H GLU 26 H GLU 26 5.468 -6.222 2.222 224 HA GLU 26 HA GLU 26 3.713 -6.611 4.574 225 HB2 GLU 26 2HB GLU 26 5.760 -6.328 6.024 226 HB3 GLU 26 1HB GLU 26 5.767 -7.809 5.070 227 HG2 GLU 26 2HG GLU 26 7.315 -6.800 3.458 228 HG3 GLU 26 1HG GLU 26 7.270 -5.276 4.339 229 H LEU 27 H LEU 27 3.946 -4.856 6.140 230 HA LEU 27 HA LEU 27 4.397 -2.181 4.989 231 HB2 LEU 27 2HB LEU 27 2.041 -2.581 5.540 232 HB3 LEU 27 1HB LEU 27 2.470 -3.154 7.142 233 HG LEU 27 HG LEU 27 3.253 -0.831 7.727 234 HD11 LEU 27 1HD1 LEU 27 3.801 0.024 5.525 235 HD12 LEU 27 2HD1 LEU 27 2.625 1.075 6.309 236 HD13 LEU 27 3HD1 LEU 27 2.105 -0.038 5.041 237 HD21 LEU 27 3HD2 LEU 27 1.020 -1.584 8.362 238 HD22 LEU 27 1HD2 LEU 27 0.368 -1.006 6.827 239 HD23 LEU 27 2HD2 LEU 27 1.027 0.139 8.000 240 H ASN 28 H ASN 28 6.118 -1.205 5.839 241 HA ASN 28 HA ASN 28 6.670 -1.317 8.705 242 HB2 ASN 28 2HB ASN 28 9.102 -1.791 8.413 243 HB3 ASN 28 1HB ASN 28 8.088 -3.145 7.945 244 HD21 ASN 28 1HD2 ASN 28 7.876 -3.628 5.698 245 HD22 ASN 28 2HD2 ASN 28 9.098 -3.142 4.591 246 H ARG 29 H ARG 29 8.290 0.328 9.333 247 HA ARG 29 HA ARG 29 7.670 2.821 7.928 248 HB2 ARG 29 2HB ARG 29 7.053 2.404 10.452 249 HB3 ARG 29 1HB ARG 29 8.769 2.603 10.768 250 HG2 ARG 29 2HG ARG 29 8.732 4.883 9.961 251 HG3 ARG 29 1HG ARG 29 7.083 4.693 9.356 252 HD2 ARG 29 2HD ARG 29 7.038 5.952 11.437 253 HD3 ARG 29 1HD ARG 29 6.274 4.386 11.679 254 HE ARG 29 HE ARG 29 9.017 5.067 12.584 255 HH11 ARG 29 1HH1 ARG 29 5.999 3.316 13.086 256 HH12 ARG 29 2HH1 ARG 29 6.518 2.625 14.590 257 HH21 ARG 29 1HH2 ARG 29 9.662 4.165 14.565 258 HH22 ARG 29 2HH2 ARG 29 8.590 3.107 15.424 259 H VAL 30 H VAL 30 9.302 3.683 6.833 260 HA VAL 30 HA VAL 30 12.092 2.765 7.234 261 HB VAL 30 HB VAL 30 10.799 3.506 4.557 262 HG11 VAL 30 1HG1 VAL 30 13.450 2.131 5.128 263 HG12 VAL 30 2HG1 VAL 30 13.246 3.801 4.597 264 HG13 VAL 30 3HG1 VAL 30 12.786 2.476 3.526 265 HG21 VAL 30 3HG2 VAL 30 10.736 1.101 4.000 266 HG22 VAL 30 1HG2 VAL 30 9.719 1.461 5.400 267 HG23 VAL 30 2HG2 VAL 30 11.298 0.704 5.627 268 H SER 31 H SER 31 13.701 4.317 6.919 269 HA SER 31 HA SER 31 12.934 7.154 6.570 270 HB2 SER 31 2HB SER 31 14.196 6.714 8.663 271 HB3 SER 31 1HB SER 31 15.473 5.912 7.748 272 HG SER 31 HG SER 31 14.686 8.586 7.299 273 H TRP 32 H TRP 32 13.367 7.916 4.540 274 HA TRP 32 HA TRP 32 15.195 6.391 2.777 275 HB2 TRP 32 2HB TRP 32 12.818 8.181 2.129 276 HB3 TRP 32 1HB TRP 32 13.954 7.625 0.903 277 HD1 TRP 32 HD1 TRP 32 10.938 6.442 2.906 278 HE1 TRP 32 HE1 TRP 32 10.244 4.116 2.084 279 HE3 TRP 32 HE3 TRP 32 15.028 5.359 0.020 280 HZ2 TRP 32 HZ2 TRP 32 11.352 2.027 0.504 281 HZ3 TRP 32 HZ3 TRP 32 15.133 3.178 -1.117 282 HH2 TRP 32 HH2 TRP 32 13.325 1.544 -0.877 283 H ASN 33 H ASN 33 17.115 7.239 2.592 284 HA ASN 33 HA ASN 33 18.912 8.623 2.411 285 HB2 ASN 33 2HB ASN 33 16.736 10.419 1.291 286 HB3 ASN 33 1HB ASN 33 18.372 11.038 1.467 287 HD21 ASN 33 1HD2 ASN 33 16.675 10.428 -0.946 288 HD22 ASN 33 2HD2 ASN 33 17.707 9.456 -1.935 289 H ASP 34 H ASP 34 17.743 8.299 4.922 290 HA ASP 34 HA ASP 34 17.421 9.032 7.013 291 HB2 ASP 34 2HB ASP 34 19.918 9.358 6.669 292 HB3 ASP 34 1HB ASP 34 19.604 11.060 6.356 293 H ALA 35 H ALA 35 15.613 10.185 5.103 294 HA ALA 35 HA ALA 35 15.032 12.880 6.097 295 HB1 ALA 35 3HB ALA 35 13.073 12.764 4.587 296 HB2 ALA 35 1HB ALA 35 13.461 11.083 4.204 297 HB3 ALA 35 2HB ALA 35 14.568 12.375 3.736 298 H GLU 36 H GLU 36 12.685 13.195 6.901 299 HA GLU 36 HA GLU 36 12.327 11.979 9.364 300 HB2 GLU 36 2HB GLU 36 10.184 13.282 7.638 301 HB3 GLU 36 1HB GLU 36 10.036 12.961 9.367 302 HG2 GLU 36 2HG GLU 36 11.918 14.492 9.826 303 HG3 GLU 36 1HG GLU 36 12.092 14.799 8.096 304 HA PRO 37 HA PRO 37 11.156 7.764 8.145 305 HB2 PRO 37 2HB PRO 37 10.007 7.131 10.700 306 HB3 PRO 37 1HB PRO 37 11.683 6.846 10.201 307 HG2 PRO 37 2HG PRO 37 10.548 9.132 11.763 308 HG3 PRO 37 1HG PRO 37 12.115 8.310 11.947 309 HD2 PRO 37 2HD PRO 37 11.997 10.713 10.800 310 HD3 PRO 37 1HD PRO 37 13.084 9.468 10.133 311 H LYS 38 H LYS 38 9.361 6.872 7.298 312 HA LYS 38 HA LYS 38 6.678 7.612 8.098 313 HB2 LYS 38 2HB LYS 38 5.943 8.295 5.858 314 HB3 LYS 38 1HB LYS 38 7.200 9.386 6.430 315 HG2 LYS 38 2HG LYS 38 8.840 8.382 4.953 316 HG3 LYS 38 1HG LYS 38 7.723 7.086 4.516 317 HD2 LYS 38 2HD LYS 38 7.890 8.817 2.733 318 HD3 LYS 38 1HD LYS 38 6.251 8.670 3.371 319 HE2 LYS 38 2HE LYS 38 6.571 10.701 4.718 320 HE3 LYS 38 1HE LYS 38 8.249 10.817 4.181 321 HZ1 LYS 38 3HZ LYS 38 5.856 11.022 2.435 322 HZ2 LYS 38 1HZ LYS 38 7.465 11.136 1.924 323 HZ3 LYS 38 2HZ LYS 38 6.818 12.311 2.952 324 H TYR 39 H TYR 39 5.194 6.419 6.380 325 HA TYR 39 HA TYR 39 5.849 3.636 6.868 326 HB2 TYR 39 2HB TYR 39 3.315 4.876 5.706 327 HB3 TYR 39 1HB TYR 39 3.482 3.247 6.373 328 HD1 TYR 39 HD2 TYR 39 3.735 2.913 8.809 329 HD2 TYR 39 HD1 TYR 39 3.178 6.844 7.226 330 HE1 TYR 39 HE2 TYR 39 3.271 3.761 11.063 331 HE2 TYR 39 HE1 TYR 39 2.725 7.691 9.490 332 HH TYR 39 HH TYR 39 1.943 6.807 11.658 333 H ASP 40 H ASP 40 6.046 2.088 5.357 334 HA ASP 40 HA ASP 40 5.640 2.678 2.490 335 HB2 ASP 40 2HB ASP 40 8.147 2.808 3.204 336 HB3 ASP 40 1HB ASP 40 8.066 1.063 3.384 337 H ILE 41 H ILE 41 4.820 1.023 1.359 338 HA ILE 41 HA ILE 41 4.311 -1.563 2.671 339 HB ILE 41 HB ILE 41 2.250 -0.413 3.111 340 HG12 ILE 41 2HG1 ILE 41 1.821 -2.191 0.668 341 HG13 ILE 41 1HG1 ILE 41 2.009 -2.754 2.324 342 HG21 ILE 41 1HG2 ILE 41 2.458 1.475 1.561 343 HG22 ILE 41 2HG2 ILE 41 0.862 0.732 1.448 344 HG23 ILE 41 3HG2 ILE 41 2.071 0.413 0.202 345 HD11 ILE 41 3HD1 ILE 41 -0.081 -1.591 2.926 346 HD12 ILE 41 1HD1 ILE 41 -0.302 -2.815 1.677 347 HD13 ILE 41 2HD1 ILE 41 -0.275 -1.108 1.238 348 H ARG 42 H ARG 42 5.141 -2.976 1.426 349 HA ARG 42 HA ARG 42 5.167 -3.012 -1.450 350 HB2 ARG 42 2HB ARG 42 7.452 -2.434 -1.944 351 HB3 ARG 42 1HB ARG 42 6.803 -1.122 -0.969 352 HG2 ARG 42 2HG ARG 42 7.929 -2.194 1.037 353 HG3 ARG 42 1HG ARG 42 8.717 -3.301 -0.092 354 HD2 ARG 42 2HD ARG 42 9.013 -0.289 0.054 355 HD3 ARG 42 1HD ARG 42 10.240 -1.502 0.407 356 HE ARG 42 HE ARG 42 9.921 -2.079 -2.100 357 HH11 ARG 42 1HH1 ARG 42 9.763 1.162 -0.756 358 HH12 ARG 42 2HH1 ARG 42 10.310 1.927 -2.214 359 HH21 ARG 42 1HH2 ARG 42 10.671 -1.061 -4.013 360 HH22 ARG 42 2HH2 ARG 42 10.830 0.665 -4.065 361 H THR 43 H THR 43 6.926 -4.708 -2.250 362 HA THR 43 HA THR 43 6.796 -6.974 -0.390 363 HB THR 43 HB THR 43 7.366 -7.033 -3.389 364 HG1 THR 43 HG1 THR 43 5.121 -6.297 -2.385 365 HG21 THR 43 3HG2 THR 43 8.071 -9.061 -2.155 366 HG22 THR 43 1HG2 THR 43 6.678 -9.412 -3.186 367 HG23 THR 43 2HG2 THR 43 6.459 -9.198 -1.446 368 H TRP 44 H TRP 44 8.646 -7.634 0.479 369 HA TRP 44 HA TRP 44 11.283 -6.720 -0.531 370 HB2 TRP 44 2HB TRP 44 10.392 -7.429 2.314 371 HB3 TRP 44 1HB TRP 44 12.061 -7.131 1.853 372 HD1 TRP 44 HD1 TRP 44 8.746 -5.261 2.442 373 HE1 TRP 44 HE1 TRP 44 9.305 -2.789 2.890 374 HE3 TRP 44 HE3 TRP 44 13.733 -5.316 1.312 375 HZ2 TRP 44 HZ2 TRP 44 11.523 -1.076 2.733 376 HZ3 TRP 44 HZ3 TRP 44 15.005 -3.213 1.479 377 HH2 TRP 44 HH2 TRP 44 13.920 -1.131 2.176 378 H SER 45 H SER 45 13.024 -8.318 0.110 379 HA SER 45 HA SER 45 12.177 -11.151 0.029 380 HB2 SER 45 2HB SER 45 14.906 -9.823 -0.127 381 HB3 SER 45 1HB SER 45 14.730 -11.569 0.068 382 HG SER 45 HG SER 45 13.309 -11.390 -1.861 383 HA PRO 46 HA PRO 46 12.630 -11.962 4.483 384 HB2 PRO 46 2HB PRO 46 14.579 -14.147 4.087 385 HB3 PRO 46 1HB PRO 46 12.923 -14.223 4.704 386 HG2 PRO 46 2HG PRO 46 13.796 -15.070 2.183 387 HG3 PRO 46 1HG PRO 46 12.110 -14.884 2.698 388 HD2 PRO 46 2HD PRO 46 13.631 -13.263 0.813 389 HD3 PRO 46 1HD PRO 46 11.899 -13.190 1.186 390 H ASP 47 H ASP 47 15.484 -11.640 2.465 391 HA ASP 47 HA ASP 47 17.359 -11.188 4.617 392 HB2 ASP 47 2HB ASP 47 17.795 -10.517 1.679 393 HB3 ASP 47 1HB ASP 47 19.017 -10.892 2.888 394 H HIS 48 H HIS 48 14.993 -9.299 3.166 395 HA HIS 48 HA HIS 48 14.481 -7.131 2.828 396 HB2 HIS 48 2HB HIS 48 16.004 -7.059 5.428 397 HB3 HIS 48 1HB HIS 48 15.401 -5.552 4.750 398 HD1 HIS 48 HD1 HIS 48 14.430 -7.461 7.359 399 HD2 HIS 48 HD2 HIS 48 12.410 -6.420 3.883 400 HE1 HIS 48 HE1 HIS 48 11.985 -7.598 7.912 401 HE2 HIS 48 HE2 HIS 48 10.792 -7.018 5.787 402 H GLU 49 H GLU 49 17.161 -8.052 1.613 403 HA GLU 49 HA GLU 49 18.451 -5.471 1.114 404 HB2 GLU 49 2HB GLU 49 20.042 -6.757 -0.267 405 HB3 GLU 49 1HB GLU 49 19.910 -7.438 1.351 406 HG2 GLU 49 2HG GLU 49 18.691 -9.333 0.587 407 HG3 GLU 49 1HG GLU 49 18.307 -8.573 -0.951 408 H LYS 50 H LYS 50 15.994 -7.467 -0.201 409 HA LYS 50 HA LYS 50 16.098 -6.186 -2.869 410 HB2 LYS 50 2HB LYS 50 14.870 -8.848 -2.050 411 HB3 LYS 50 1HB LYS 50 14.765 -8.158 -3.653 412 HG2 LYS 50 2HG LYS 50 17.488 -8.765 -2.509 413 HG3 LYS 50 1HG LYS 50 16.485 -10.092 -3.082 414 HD2 LYS 50 2HD LYS 50 17.851 -9.537 -4.927 415 HD3 LYS 50 1HD LYS 50 16.293 -8.797 -5.295 416 HE2 LYS 50 2HE LYS 50 18.081 -7.261 -5.870 417 HE3 LYS 50 1HE LYS 50 17.206 -6.606 -4.486 418 HZ1 LYS 50 3HZ LYS 50 18.984 -7.549 -3.051 419 HZ2 LYS 50 1HZ LYS 50 19.547 -6.376 -4.130 420 HZ3 LYS 50 2HZ LYS 50 19.826 -8.009 -4.441 421 H MET 51 H MET 51 14.233 -5.276 -3.591 422 HA MET 51 HA MET 51 11.696 -5.443 -2.177 423 HB2 MET 51 2HB MET 51 11.518 -2.961 -1.927 424 HB3 MET 51 1HB MET 51 12.783 -3.649 -0.922 425 HG2 MET 51 2HG MET 51 14.485 -2.902 -2.557 426 HG3 MET 51 1HG MET 51 13.206 -2.188 -3.543 427 HE1 MET 51 3HE MET 51 15.865 -0.658 -2.353 428 HE2 MET 51 1HE MET 51 15.121 0.895 -1.980 429 HE3 MET 51 2HE MET 51 14.705 0.058 -3.474 430 H GLY 52 H GLY 52 10.016 -4.114 -3.424 431 HA2 GLY 52 2HA GLY 52 10.647 -3.445 -6.185 432 HA3 GLY 52 1HA GLY 52 9.696 -4.913 -5.984 433 H LYS 53 H LYS 53 7.696 -4.370 -6.656 434 HA LYS 53 HA LYS 53 6.554 -1.870 -6.815 435 HB2 LYS 53 2HB LYS 53 5.227 -4.607 -6.662 436 HB3 LYS 53 1HB LYS 53 4.315 -3.136 -6.992 437 HG2 LYS 53 2HG LYS 53 6.599 -4.202 -8.691 438 HG3 LYS 53 1HG LYS 53 4.879 -4.369 -9.061 439 HD2 LYS 53 2HD LYS 53 4.649 -1.933 -9.278 440 HD3 LYS 53 1HD LYS 53 6.325 -1.699 -8.777 441 HE2 LYS 53 2HE LYS 53 5.411 -3.096 -11.313 442 HE3 LYS 53 1HE LYS 53 6.080 -1.467 -11.211 443 HZ1 LYS 53 3HZ LYS 53 7.479 -4.020 -10.625 444 HZ2 LYS 53 1HZ LYS 53 8.137 -2.498 -10.291 445 HZ3 LYS 53 2HZ LYS 53 7.798 -2.943 -11.885 446 H GLY 54 H GLY 54 5.845 -0.459 -5.354 447 HA2 GLY 54 2HA GLY 54 4.144 -1.030 -3.202 448 HA3 GLY 54 1HA GLY 54 5.796 -0.827 -2.629 449 H ILE 55 H ILE 55 4.282 0.921 -1.589 450 HA ILE 55 HA ILE 55 4.786 3.457 -2.960 451 HB ILE 55 HB ILE 55 2.500 2.922 -3.699 452 HG12 ILE 55 2HG1 ILE 55 2.465 5.118 -1.577 453 HG13 ILE 55 1HG1 ILE 55 3.003 5.306 -3.241 454 HG21 ILE 55 1HG2 ILE 55 1.862 1.362 -1.909 455 HG22 ILE 55 2HG2 ILE 55 0.624 2.593 -2.159 456 HG23 ILE 55 3HG2 ILE 55 1.717 2.712 -0.778 457 HD11 ILE 55 3HD1 ILE 55 0.813 6.247 -2.952 458 HD12 ILE 55 1HD1 ILE 55 0.186 4.719 -2.333 459 HD13 ILE 55 2HD1 ILE 55 0.717 4.843 -4.014 460 H THR 56 H THR 56 5.025 5.146 -1.570 461 HA THR 56 HA THR 56 5.456 4.537 1.278 462 HB THR 56 HB THR 56 6.425 7.046 1.139 463 HG1 THR 56 HG1 THR 56 5.913 7.566 -0.932 464 HG21 THR 56 3HG2 THR 56 7.804 5.071 1.690 465 HG22 THR 56 1HG2 THR 56 8.659 6.177 0.608 466 HG23 THR 56 2HG2 THR 56 7.953 4.692 -0.030 467 H LEU 57 H LEU 57 4.291 5.479 2.840 468 HA LEU 57 HA LEU 57 2.066 7.268 2.162 469 HB2 LEU 57 2HB LEU 57 2.130 5.087 4.298 470 HB3 LEU 57 1HB LEU 57 0.777 6.158 3.957 471 HG LEU 57 HG LEU 57 1.849 3.984 2.108 472 HD11 LEU 57 1HD1 LEU 57 -0.280 2.838 2.517 473 HD12 LEU 57 2HD1 LEU 57 -0.744 4.087 3.676 474 HD13 LEU 57 3HD1 LEU 57 0.645 3.047 4.001 475 HD21 LEU 57 3HD2 LEU 57 1.034 5.848 0.768 476 HD22 LEU 57 1HD2 LEU 57 -0.489 5.873 1.663 477 HD23 LEU 57 2HD2 LEU 57 -0.080 4.489 0.647 478 H SER 58 H SER 58 2.249 9.139 3.203 479 HA SER 58 HA SER 58 4.256 9.622 5.260 480 HB2 SER 58 2HB SER 58 2.132 11.468 4.069 481 HB3 SER 58 1HB SER 58 3.469 11.967 5.112 482 HG SER 58 HG SER 58 3.486 11.243 2.430 483 H GLU 59 H GLU 59 3.488 10.824 7.358 484 HA GLU 59 HA GLU 59 1.758 9.268 8.901 485 HB2 GLU 59 2HB GLU 59 2.337 12.231 9.310 486 HB3 GLU 59 1HB GLU 59 1.813 11.086 10.543 487 HG2 GLU 59 2HG GLU 59 3.959 9.872 10.329 488 HG3 GLU 59 1HG GLU 59 4.479 11.021 9.090 489 H GLU 60 H GLU 60 1.174 12.175 7.027 490 HA GLU 60 HA GLU 60 -1.468 12.810 7.550 491 HB2 GLU 60 2HB GLU 60 0.018 13.013 4.892 492 HB3 GLU 60 1HB GLU 60 -1.360 13.993 5.390 493 HG2 GLU 60 2HG GLU 60 -0.064 15.164 7.034 494 HG3 GLU 60 1HG GLU 60 1.267 14.014 6.905 495 H GLU 61 H GLU 61 -0.201 10.881 4.819 496 HA GLU 61 HA GLU 61 -2.653 10.197 3.622 497 HB2 GLU 61 2HB GLU 61 0.038 8.775 3.453 498 HB3 GLU 61 1HB GLU 61 -1.294 8.572 2.314 499 HG2 GLU 61 2HG GLU 61 -1.014 10.752 1.420 500 HG3 GLU 61 1HG GLU 61 -0.028 11.277 2.786 501 H PHE 62 H PHE 62 -0.433 8.251 5.568 502 HA PHE 62 HA PHE 62 -1.953 5.911 5.751 503 HB2 PHE 62 2HB PHE 62 0.520 6.129 6.178 504 HB3 PHE 62 1HB PHE 62 0.154 6.920 7.704 505 HD1 PHE 62 HD2 PHE 62 -0.271 3.728 5.825 506 HD2 PHE 62 HD1 PHE 62 -0.260 5.599 9.673 507 HE1 PHE 62 HE2 PHE 62 -0.346 1.524 6.903 508 HE2 PHE 62 HE1 PHE 62 -0.334 3.389 10.736 509 HZ PHE 62 HZ PHE 62 -0.377 1.356 9.358 510 H GLY 63 H GLY 63 -1.796 8.813 7.892 511 HA2 GLY 63 2HA GLY 63 -3.491 7.990 9.914 512 HA3 GLY 63 1HA GLY 63 -3.306 9.641 9.352 513 H VAL 64 H VAL 64 -4.373 9.683 6.871 514 HA VAL 64 HA VAL 64 -7.153 9.734 7.125 515 HB VAL 64 HB VAL 64 -5.518 9.416 4.563 516 HG11 VAL 64 1HG1 VAL 64 -8.401 10.332 4.850 517 HG12 VAL 64 2HG1 VAL 64 -7.857 8.817 4.129 518 HG13 VAL 64 3HG1 VAL 64 -7.464 10.346 3.348 519 HG21 VAL 64 3HG2 VAL 64 -6.569 11.966 5.829 520 HG22 VAL 64 1HG2 VAL 64 -5.699 11.856 4.296 521 HG23 VAL 64 2HG2 VAL 64 -4.885 11.447 5.806 522 H LEU 65 H LEU 65 -4.976 7.220 5.835 523 HA LEU 65 HA LEU 65 -6.819 5.384 4.843 524 HB2 LEU 65 2HB LEU 65 -4.300 5.454 4.496 525 HB3 LEU 65 1HB LEU 65 -4.118 4.790 6.108 526 HG LEU 65 HG LEU 65 -5.497 2.759 5.280 527 HD11 LEU 65 1HD1 LEU 65 -4.877 3.959 2.566 528 HD12 LEU 65 2HD1 LEU 65 -6.475 3.793 3.297 529 HD13 LEU 65 3HD1 LEU 65 -5.552 2.356 2.872 530 HD21 LEU 65 3HD2 LEU 65 -2.781 3.257 4.009 531 HD22 LEU 65 1HD2 LEU 65 -3.545 1.683 4.258 532 HD23 LEU 65 2HD2 LEU 65 -3.065 2.657 5.646 533 H LEU 66 H LEU 66 -5.203 5.522 8.084 534 HA LEU 66 HA LEU 66 -6.337 3.303 9.311 535 HB2 LEU 66 2HB LEU 66 -5.417 5.957 10.483 536 HB3 LEU 66 1HB LEU 66 -5.888 4.590 11.480 537 HG LEU 66 HG LEU 66 -3.518 4.703 9.584 538 HD11 LEU 66 1HD1 LEU 66 -3.165 5.945 11.664 539 HD12 LEU 66 2HD1 LEU 66 -2.159 4.501 11.605 540 HD13 LEU 66 3HD1 LEU 66 -3.611 4.520 12.611 541 HD21 LEU 66 3HD2 LEU 66 -4.470 2.467 9.519 542 HD22 LEU 66 1HD2 LEU 66 -4.484 2.381 11.283 543 HD23 LEU 66 2HD2 LEU 66 -2.951 2.452 10.406 544 H LYS 67 H LYS 67 -7.449 6.663 9.269 545 HA LYS 67 HA LYS 67 -9.649 6.450 11.020 546 HB2 LYS 67 2HB LYS 67 -8.993 8.402 8.781 547 HB3 LYS 67 1HB LYS 67 -10.327 8.644 9.907 548 HG2 LYS 67 2HG LYS 67 -8.897 9.035 11.740 549 HG3 LYS 67 1HG LYS 67 -7.526 8.231 10.977 550 HD2 LYS 67 2HD LYS 67 -7.283 10.727 11.126 551 HD3 LYS 67 1HD LYS 67 -7.156 10.092 9.488 552 HE2 LYS 67 2HE LYS 67 -9.425 10.822 8.990 553 HE3 LYS 67 1HE LYS 67 -9.655 11.360 10.659 554 HZ1 LYS 67 3HZ LYS 67 -7.898 12.984 10.322 555 HZ2 LYS 67 1HZ LYS 67 -9.146 13.200 9.204 556 HZ3 LYS 67 2HZ LYS 67 -7.699 12.472 8.721 557 H GLU 68 H GLU 68 -9.476 6.363 7.465 558 HA GLU 68 HA GLU 68 -12.274 5.994 7.056 559 HB2 GLU 68 2HB GLU 68 -9.898 5.710 5.192 560 HB3 GLU 68 1HB GLU 68 -11.569 5.572 4.662 561 HG2 GLU 68 2HG GLU 68 -10.300 8.036 5.894 562 HG3 GLU 68 1HG GLU 68 -10.632 7.793 4.181 563 H LEU 69 H LEU 69 -9.554 3.779 7.404 564 HA LEU 69 HA LEU 69 -10.972 1.410 6.593 565 HB2 LEU 69 2HB LEU 69 -8.413 1.773 8.198 566 HB3 LEU 69 1HB LEU 69 -9.082 0.191 7.821 567 HG LEU 69 HG LEU 69 -8.086 2.226 5.785 568 HD11 LEU 69 1HD1 LEU 69 -6.263 1.169 7.021 569 HD12 LEU 69 2HD1 LEU 69 -6.288 0.642 5.341 570 HD13 LEU 69 3HD1 LEU 69 -6.891 -0.430 6.610 571 HD21 LEU 69 3HD2 LEU 69 -9.127 -0.578 5.304 572 HD22 LEU 69 1HD2 LEU 69 -8.441 0.519 4.096 573 HD23 LEU 69 2HD2 LEU 69 -9.964 0.924 4.886 574 H GLY 70 H GLY 70 -10.310 3.056 9.662 575 HA2 GLY 70 2HA GLY 70 -11.531 1.276 11.465 576 HA3 GLY 70 1HA GLY 70 -11.367 3.012 11.685 577 H ASN 71 H ASN 71 -12.876 3.846 9.472 578 HA ASN 71 HA ASN 71 -15.618 3.671 10.246 579 HB2 ASN 71 2HB ASN 71 -14.458 4.377 7.506 580 HB3 ASN 71 1HB ASN 71 -16.130 4.650 7.989 581 HD21 ASN 71 1HD2 ASN 71 -14.093 6.540 7.107 582 HD22 ASN 71 2HD2 ASN 71 -13.941 7.708 8.366 583 H LYS 72 H LYS 72 -14.042 2.302 7.368 584 HA LYS 72 HA LYS 72 -15.867 0.363 6.617 585 HB2 LYS 72 2HB LYS 72 -12.843 0.138 6.363 586 HB3 LYS 72 1HB LYS 72 -14.006 -0.841 5.468 587 HG2 LYS 72 2HG LYS 72 -14.911 1.234 4.434 588 HG3 LYS 72 1HG LYS 72 -13.678 2.167 5.284 589 HD2 LYS 72 2HD LYS 72 -11.931 0.755 4.075 590 HD3 LYS 72 1HD LYS 72 -13.254 0.082 3.114 591 HE2 LYS 72 2HE LYS 72 -12.414 2.996 3.249 592 HE3 LYS 72 1HE LYS 72 -12.178 1.899 1.891 593 HZ1 LYS 72 3HZ LYS 72 -14.045 3.387 1.540 594 HZ2 LYS 72 1HZ LYS 72 -14.808 2.817 2.937 595 HZ3 LYS 72 2HZ LYS 72 -14.580 1.784 1.616 596 H LEU 73 H LEU 73 -13.864 0.180 9.453 597 HA LEU 73 HA LEU 73 -14.230 -2.692 9.811 598 HB2 LEU 73 2HB LEU 73 -12.858 -0.588 11.517 599 HB3 LEU 73 1HB LEU 73 -13.064 -2.245 12.061 600 HG LEU 73 HG LEU 73 -11.458 -1.345 9.635 601 HD11 LEU 73 1HD1 LEU 73 -10.315 -0.883 11.747 602 HD12 LEU 73 2HD1 LEU 73 -9.497 -2.159 10.846 603 HD13 LEU 73 3HD1 LEU 73 -10.503 -2.571 12.237 604 HD21 LEU 73 3HD2 LEU 73 -12.538 -3.476 9.140 605 HD22 LEU 73 1HD2 LEU 73 -11.931 -4.168 10.647 606 HD23 LEU 73 2HD2 LEU 73 -10.808 -3.705 9.365 607 H GLU 74 H GLU 74 -16.486 -0.422 10.000 608 HA GLU 74 HA GLU 74 -17.992 -1.680 12.146 609 HB2 GLU 74 2HB GLU 74 -18.926 -0.085 9.710 610 HB3 GLU 74 1HB GLU 74 -19.937 -0.549 11.075 611 HG2 GLU 74 2HG GLU 74 -18.689 0.887 12.581 612 HG3 GLU 74 1HG GLU 74 -17.498 1.243 11.331 613 H HIS 75 H HIS 75 -16.746 -2.815 9.323 614 HA HIS 75 HA HIS 75 -18.962 -4.675 8.601 615 HB2 HIS 75 2HB HIS 75 -16.530 -3.776 6.972 616 HB3 HIS 75 1HB HIS 75 -17.675 -5.005 6.438 617 HD1 HIS 75 HD1 HIS 75 -19.340 -4.101 4.856 618 HD2 HIS 75 HD2 HIS 75 -18.090 -1.193 7.545 619 HE1 HIS 75 HE1 HIS 75 -20.589 -2.017 4.233 620 HE2 HIS 75 HE2 HIS 75 -19.804 -0.271 5.862 621 H HIS 76 H HIS 76 -16.545 -4.630 10.650 622 HA HIS 76 HA HIS 76 -14.920 -6.883 10.000 623 HB2 HIS 76 2HB HIS 76 -14.037 -6.633 12.303 624 HB3 HIS 76 1HB HIS 76 -14.078 -5.097 11.455 625 HD1 HIS 76 HD1 HIS 76 -13.783 -4.724 14.310 626 HD2 HIS 76 HD2 HIS 76 -17.566 -5.253 12.682 627 HE1 HIS 76 HE1 HIS 76 -15.382 -3.705 15.949 628 HE2 HIS 76 HE2 HIS 76 -17.590 -3.768 14.771 629 H HIS 77 H HIS 77 -14.906 -8.962 10.993 630 HA HIS 77 HA HIS 77 -17.528 -9.940 11.895 631 HB2 HIS 77 2HB HIS 77 -14.994 -11.476 11.196 632 HB3 HIS 77 1HB HIS 77 -16.558 -12.199 11.565 633 HD1 HIS 77 HD1 HIS 77 -14.880 -12.356 8.787 634 HD2 HIS 77 HD2 HIS 77 -18.289 -10.101 9.544 635 HE1 HIS 77 HE1 HIS 77 -15.921 -11.919 6.540 636 HE2 HIS 77 HE2 HIS 77 -18.062 -10.705 7.052 637 H HIS 78 H HIS 78 -17.228 -8.596 13.804 638 HA HIS 78 HA HIS 78 -16.125 -10.145 16.053 639 HB2 HIS 78 2HB HIS 78 -15.713 -7.137 15.655 640 HB3 HIS 78 1HB HIS 78 -15.432 -7.966 17.179 641 HD1 HIS 78 HD1 HIS 78 -13.302 -9.432 17.367 642 HD2 HIS 78 HD2 HIS 78 -13.683 -7.474 13.727 643 HE1 HIS 78 HE1 HIS 78 -11.061 -9.606 16.261 644 HE2 HIS 78 HE2 HIS 78 -11.312 -8.396 14.077 645 H HIS 79 H HIS 79 -17.370 -10.013 17.889 646 HA HIS 79 HA HIS 79 -20.128 -9.155 17.673 647 HB2 HIS 79 2HB HIS 79 -19.286 -11.277 18.823 648 HB3 HIS 79 1HB HIS 79 -18.597 -10.272 20.084 649 HD1 HIS 79 HD1 HIS 79 -20.205 -9.370 21.889 650 HD2 HIS 79 HD2 HIS 79 -22.118 -11.519 18.879 651 HE1 HIS 79 HE1 HIS 79 -22.529 -9.812 22.738 652 HE2 HIS 79 HE2 HIS 79 -23.696 -10.989 20.845 653 H HIS 80 H HIS 80 -21.011 -7.931 19.772 654 HA HIS 80 HA HIS 80 -19.116 -5.923 20.852 655 HB2 HIS 80 2HB HIS 80 -21.905 -5.323 19.749 656 HB3 HIS 80 1HB HIS 80 -20.990 -4.203 20.754 657 HD1 HIS 80 HD1 HIS 80 -21.320 -5.441 17.292 658 HD2 HIS 80 HD2 HIS 80 -18.664 -3.100 19.460 659 HE1 HIS 80 HE1 HIS 80 -19.881 -4.294 15.592 660 HE2 HIS 80 HE2 HIS 80 -18.466 -2.708 16.923 661 H1 MET 1 1H MET 1 1.805 -14.652 -21.184 662 H2 MET 1 2H MET 1 2.536 -15.343 -22.540 663 H3 MET 1 3H MET 1 0.920 -14.852 -22.609 664 HA MET 1 HA MET 1 3.254 -13.087 -22.232 665 HB2 MET 1 2HB MET 1 3.067 -14.078 -24.514 666 HB3 MET 1 1HB MET 1 1.438 -13.441 -24.655 667 HG2 MET 1 2HG MET 1 2.307 -11.151 -24.592 668 HG3 MET 1 1HG MET 1 3.947 -11.760 -24.366 669 HE1 MET 1 3HE MET 1 4.504 -13.616 -27.836 670 HE2 MET 1 1HE MET 1 3.823 -14.347 -26.383 671 HE3 MET 1 2HE MET 1 5.216 -13.268 -26.262 672 H ALA 2 H ALA 2 2.358 -11.961 -20.507 673 HA ALA 2 HA ALA 2 0.237 -10.029 -21.192 674 HB1 ALA 2 3HB ALA 2 0.274 -11.625 -18.594 675 HB2 ALA 2 1HB ALA 2 -0.911 -11.794 -19.890 676 HB3 ALA 2 2HB ALA 2 -0.824 -10.292 -18.967 677 H ASP 3 H ASP 3 2.638 -9.345 -21.531 678 HA ASP 3 HA ASP 3 4.189 -8.501 -19.265 679 HB2 ASP 3 2HB ASP 3 4.486 -7.574 -22.167 680 HB3 ASP 3 1HB ASP 3 5.720 -7.536 -20.908 681 H LYS 4 H LYS 4 1.978 -6.942 -21.551 682 HA LYS 4 HA LYS 4 1.978 -4.430 -20.001 683 HB2 LYS 4 2HB LYS 4 2.127 -4.237 -22.487 684 HB3 LYS 4 1HB LYS 4 0.615 -5.126 -22.647 685 HG2 LYS 4 2HG LYS 4 -0.575 -3.297 -21.440 686 HG3 LYS 4 1HG LYS 4 0.948 -2.412 -21.311 687 HD2 LYS 4 2HD LYS 4 -0.294 -1.477 -23.160 688 HD3 LYS 4 1HD LYS 4 1.074 -2.371 -23.822 689 HE2 LYS 4 2HE LYS 4 -0.533 -4.315 -24.209 690 HE3 LYS 4 1HE LYS 4 -1.842 -3.212 -23.776 691 HZ1 LYS 4 3HZ LYS 4 -1.619 -3.246 -26.134 692 HZ2 LYS 4 1HZ LYS 4 0.042 -2.930 -26.052 693 HZ3 LYS 4 2HZ LYS 4 -1.068 -1.743 -25.591 694 H LEU 5 H LEU 5 0.424 -4.251 -18.465 695 HA LEU 5 HA LEU 5 -1.377 -6.491 -18.077 696 HB2 LEU 5 2HB LEU 5 -0.929 -4.032 -16.339 697 HB3 LEU 5 1HB LEU 5 -1.877 -5.448 -15.888 698 HG LEU 5 HG LEU 5 1.138 -5.366 -16.334 699 HD11 LEU 5 1HD1 LEU 5 1.313 -5.871 -13.953 700 HD12 LEU 5 2HD1 LEU 5 -0.446 -5.835 -13.794 701 HD13 LEU 5 3HD1 LEU 5 0.435 -4.362 -14.212 702 HD21 LEU 5 3HD2 LEU 5 1.163 -7.732 -15.616 703 HD22 LEU 5 1HD2 LEU 5 0.288 -7.509 -17.129 704 HD23 LEU 5 2HD2 LEU 5 -0.604 -7.753 -15.626 705 H LYS 6 H LYS 6 -3.544 -6.306 -17.682 706 HA LYS 6 HA LYS 6 -5.036 -4.057 -18.891 707 HB2 LYS 6 2HB LYS 6 -5.910 -6.933 -18.326 708 HB3 LYS 6 1HB LYS 6 -6.945 -5.686 -19.012 709 HG2 LYS 6 2HG LYS 6 -4.427 -6.764 -20.337 710 HG3 LYS 6 1HG LYS 6 -6.065 -7.317 -20.693 711 HD2 LYS 6 2HD LYS 6 -5.027 -4.482 -21.104 712 HD3 LYS 6 1HD LYS 6 -5.253 -5.687 -22.374 713 HE2 LYS 6 2HE LYS 6 -7.681 -5.718 -21.943 714 HE3 LYS 6 1HE LYS 6 -7.476 -4.562 -20.626 715 HZ1 LYS 6 3HZ LYS 6 -6.682 -2.943 -22.218 716 HZ2 LYS 6 1HZ LYS 6 -8.226 -3.491 -22.644 717 HZ3 LYS 6 2HZ LYS 6 -6.866 -4.047 -23.483 718 H PHE 7 H PHE 7 -6.426 -2.914 -17.466 719 HA PHE 7 HA PHE 7 -6.904 -3.983 -14.792 720 HB2 PHE 7 2HB PHE 7 -6.245 -1.655 -13.858 721 HB3 PHE 7 1HB PHE 7 -4.943 -2.739 -14.301 722 HD1 PHE 7 HD1 PHE 7 -3.455 -2.230 -16.215 723 HD2 PHE 7 HD2 PHE 7 -6.643 0.437 -15.157 724 HE1 PHE 7 HE1 PHE 7 -2.453 -0.467 -17.613 725 HE2 PHE 7 HE2 PHE 7 -5.627 2.184 -16.565 726 HZ PHE 7 HZ PHE 7 -3.541 1.737 -17.788 727 H GLU 8 H GLU 8 -8.872 -3.434 -14.041 728 HA GLU 8 HA GLU 8 -10.313 -1.144 -15.215 729 HB2 GLU 8 2HB GLU 8 -11.212 -3.163 -16.345 730 HB3 GLU 8 1HB GLU 8 -11.503 -3.929 -14.783 731 HG2 GLU 8 2HG GLU 8 -13.157 -2.205 -14.210 732 HG3 GLU 8 1HG GLU 8 -12.827 -1.355 -15.716 733 H ILE 9 H ILE 9 -11.101 0.111 -13.596 734 HA ILE 9 HA ILE 9 -10.610 -0.755 -10.845 735 HB ILE 9 HB ILE 9 -11.407 1.981 -11.935 736 HG12 ILE 9 2HG1 ILE 9 -8.798 0.809 -10.872 737 HG13 ILE 9 1HG1 ILE 9 -9.103 1.442 -12.483 738 HG21 ILE 9 1HG2 ILE 9 -10.801 1.216 -9.052 739 HG22 ILE 9 2HG2 ILE 9 -12.380 1.691 -9.678 740 HG23 ILE 9 3HG2 ILE 9 -11.060 2.860 -9.643 741 HD11 ILE 9 3HD1 ILE 9 -8.886 3.035 -9.932 742 HD12 ILE 9 1HD1 ILE 9 -9.284 3.701 -11.520 743 HD13 ILE 9 2HD1 ILE 9 -7.715 2.946 -11.248 744 H ILE 10 H ILE 10 -12.089 -1.717 -9.786 745 HA ILE 10 HA ILE 10 -14.822 -2.013 -10.709 746 HB ILE 10 HB ILE 10 -13.336 -3.298 -8.362 747 HG12 ILE 10 2HG1 ILE 10 -12.306 -3.960 -10.479 748 HG13 ILE 10 1HG1 ILE 10 -13.219 -5.327 -9.852 749 HG21 ILE 10 1HG2 ILE 10 -15.166 -4.970 -8.303 750 HG22 ILE 10 2HG2 ILE 10 -16.034 -4.065 -9.545 751 HG23 ILE 10 3HG2 ILE 10 -15.758 -3.344 -7.959 752 HD11 ILE 10 3HD1 ILE 10 -15.039 -4.798 -11.449 753 HD12 ILE 10 1HD1 ILE 10 -13.498 -5.152 -12.228 754 HD13 ILE 10 2HD1 ILE 10 -14.047 -3.485 -12.095 755 H GLU 11 H GLU 11 -12.991 -0.584 -8.045 756 HA GLU 11 HA GLU 11 -15.246 1.048 -7.195 757 HB2 GLU 11 2HB GLU 11 -15.635 -1.155 -6.018 758 HB3 GLU 11 1HB GLU 11 -14.065 -0.993 -5.242 759 HG2 GLU 11 2HG GLU 11 -15.897 -0.375 -3.716 760 HG3 GLU 11 1HG GLU 11 -14.833 0.997 -4.036 761 H GLU 12 H GLU 12 -14.562 2.789 -5.862 762 HA GLU 12 HA GLU 12 -11.660 2.986 -5.229 763 HB2 GLU 12 2HB GLU 12 -13.663 5.188 -5.867 764 HB3 GLU 12 1HB GLU 12 -12.041 5.492 -5.246 765 HG2 GLU 12 2HG GLU 12 -11.036 4.514 -7.233 766 HG3 GLU 12 1HG GLU 12 -12.617 4.023 -7.840 767 H LEU 13 H LEU 13 -11.107 3.204 -3.178 768 HA LEU 13 HA LEU 13 -13.281 2.802 -1.186 769 HB2 LEU 13 2HB LEU 13 -10.321 2.151 -0.939 770 HB3 LEU 13 1HB LEU 13 -11.584 1.679 0.189 771 HG LEU 13 HG LEU 13 -11.342 0.678 -2.682 772 HD11 LEU 13 1HD1 LEU 13 -10.676 -1.467 -1.679 773 HD12 LEU 13 2HD1 LEU 13 -10.661 -0.717 -0.080 774 HD13 LEU 13 3HD1 LEU 13 -9.530 -0.179 -1.323 775 HD21 LEU 13 3HD2 LEU 13 -13.250 -0.184 -0.477 776 HD22 LEU 13 1HD2 LEU 13 -13.081 -0.954 -2.060 777 HD23 LEU 13 2HD2 LEU 13 -13.674 0.699 -1.947 778 H ILE 14 H ILE 14 -10.056 4.296 -1.352 779 HA ILE 14 HA ILE 14 -10.828 6.520 0.413 780 HB ILE 14 HB ILE 14 -8.301 4.861 0.950 781 HG12 ILE 14 2HG1 ILE 14 -10.829 4.863 2.657 782 HG13 ILE 14 1HG1 ILE 14 -10.363 3.558 1.577 783 HG21 ILE 14 1HG2 ILE 14 -9.574 7.104 2.562 784 HG22 ILE 14 2HG2 ILE 14 -8.122 7.242 1.570 785 HG23 ILE 14 3HG2 ILE 14 -8.112 6.220 3.009 786 HD11 ILE 14 3HD1 ILE 14 -9.847 3.042 3.886 787 HD12 ILE 14 1HD1 ILE 14 -8.804 4.461 4.002 788 HD13 ILE 14 2HD1 ILE 14 -8.379 3.134 2.917 789 H VAL 15 H VAL 15 -10.098 8.349 -0.658 790 HA VAL 15 HA VAL 15 -7.593 8.208 -2.197 791 HB VAL 15 HB VAL 15 -9.588 10.498 -1.915 792 HG11 VAL 15 1HG1 VAL 15 -7.320 11.417 -2.206 793 HG12 VAL 15 2HG1 VAL 15 -8.261 11.654 -3.680 794 HG13 VAL 15 3HG1 VAL 15 -7.054 10.369 -3.602 795 HG21 VAL 15 3HG2 VAL 15 -8.971 8.679 -4.277 796 HG22 VAL 15 1HG2 VAL 15 -10.087 10.051 -4.305 797 HG23 VAL 15 2HG2 VAL 15 -10.441 8.644 -3.298 798 H LEU 16 H LEU 16 -5.770 8.791 -1.316 799 HA LEU 16 HA LEU 16 -5.656 9.689 1.475 800 HB2 LEU 16 2HB LEU 16 -3.452 8.602 -0.333 801 HB3 LEU 16 1HB LEU 16 -3.309 8.912 1.394 802 HG LEU 16 HG LEU 16 -5.144 6.826 0.143 803 HD11 LEU 16 1HD1 LEU 16 -3.630 5.148 1.096 804 HD12 LEU 16 2HD1 LEU 16 -2.530 6.426 1.625 805 HD13 LEU 16 3HD1 LEU 16 -2.818 6.160 -0.098 806 HD21 LEU 16 3HD2 LEU 16 -6.078 7.708 2.213 807 HD22 LEU 16 1HD2 LEU 16 -4.561 7.403 3.062 808 HD23 LEU 16 2HD2 LEU 16 -5.519 6.056 2.444 809 H SER 17 H SER 17 -4.860 10.720 -1.812 810 HA SER 17 HA SER 17 -4.068 13.355 -1.111 811 HB2 SER 17 2HB SER 17 -1.831 11.452 -1.968 812 HB3 SER 17 1HB SER 17 -1.682 13.210 -1.942 813 HG SER 17 HG SER 17 -2.455 12.765 0.413 814 H GLU 18 H GLU 18 -3.586 14.607 -2.973 815 HA GLU 18 HA GLU 18 -3.957 13.471 -5.676 816 HB2 GLU 18 2HB GLU 18 -6.164 14.380 -5.045 817 HB3 GLU 18 1HB GLU 18 -5.441 15.930 -4.615 818 HG2 GLU 18 2HG GLU 18 -4.818 16.345 -6.944 819 HG3 GLU 18 1HG GLU 18 -5.358 14.737 -7.412 820 H ASN 19 H ASN 19 -2.740 14.536 -7.296 821 HA ASN 19 HA ASN 19 -0.554 16.257 -6.167 822 HB2 ASN 19 2HB ASN 19 -0.124 14.014 -7.396 823 HB3 ASN 19 1HB ASN 19 -0.559 14.847 -8.877 824 HD21 ASN 19 1HD2 ASN 19 1.928 13.548 -8.119 825 HD22 ASN 19 2HD2 ASN 19 3.174 14.740 -8.252 826 H ALA 20 H ALA 20 0.252 18.099 -7.502 827 HA ALA 20 HA ALA 20 -1.601 19.803 -8.792 828 HB1 ALA 20 3HB ALA 20 1.419 19.685 -9.145 829 HB2 ALA 20 1HB ALA 20 0.562 20.585 -7.891 830 HB3 ALA 20 2HB ALA 20 0.383 21.046 -9.585 831 H LYS 21 H LYS 21 0.445 17.231 -9.954 832 HA LYS 21 HA LYS 21 -0.152 17.482 -12.784 833 HB2 LYS 21 2HB LYS 21 1.024 15.181 -11.143 834 HB3 LYS 21 1HB LYS 21 0.912 15.183 -12.899 835 HG2 LYS 21 2HG LYS 21 2.525 17.153 -11.241 836 HG3 LYS 21 1HG LYS 21 3.183 15.758 -12.100 837 HD2 LYS 21 2HD LYS 21 1.767 18.116 -13.418 838 HD3 LYS 21 1HD LYS 21 3.514 17.897 -13.342 839 HE2 LYS 21 2HE LYS 21 3.402 15.926 -14.742 840 HE3 LYS 21 1HE LYS 21 1.639 15.904 -14.662 841 HZ1 LYS 21 3HZ LYS 21 3.263 18.040 -15.918 842 HZ2 LYS 21 1HZ LYS 21 1.578 17.968 -15.883 843 HZ3 LYS 21 2HZ LYS 21 2.459 16.813 -16.750 844 H GLY 22 H GLY 22 -1.695 16.229 -10.019 845 HA2 GLY 22 2HA GLY 22 -4.085 15.977 -10.061 846 HA3 GLY 22 1HA GLY 22 -3.939 15.068 -11.561 847 H TRP 23 H TRP 23 -1.439 13.805 -10.497 848 HA TRP 23 HA TRP 23 -2.488 11.302 -10.242 849 HB2 TRP 23 2HB TRP 23 0.239 12.338 -9.397 850 HB3 TRP 23 1HB TRP 23 -0.179 10.628 -9.337 851 HD1 TRP 23 HD1 TRP 23 -0.410 13.393 -12.087 852 HE1 TRP 23 HE1 TRP 23 0.407 12.395 -14.282 853 HE3 TRP 23 HE3 TRP 23 0.610 8.641 -10.470 854 HZ2 TRP 23 HZ2 TRP 23 1.376 9.912 -15.242 855 HZ3 TRP 23 HZ3 TRP 23 1.479 7.008 -12.102 856 HH2 TRP 23 HH2 TRP 23 1.852 7.634 -14.440 857 H ARG 24 H ARG 24 -3.718 10.433 -8.762 858 HA ARG 24 HA ARG 24 -3.798 11.484 -6.045 859 HB2 ARG 24 2HB ARG 24 -5.756 9.929 -7.763 860 HB3 ARG 24 1HB ARG 24 -5.909 9.874 -6.009 861 HG2 ARG 24 2HG ARG 24 -6.061 12.356 -5.971 862 HG3 ARG 24 1HG ARG 24 -6.029 12.380 -7.730 863 HD2 ARG 24 2HD ARG 24 -8.129 10.903 -6.095 864 HD3 ARG 24 1HD ARG 24 -8.330 12.561 -6.655 865 HE ARG 24 HE ARG 24 -8.173 11.672 -8.961 866 HH11 ARG 24 1HH1 ARG 24 -9.096 9.411 -6.417 867 HH12 ARG 24 2HH1 ARG 24 -9.968 8.368 -7.489 868 HH21 ARG 24 1HH2 ARG 24 -9.441 10.370 -10.319 869 HH22 ARG 24 2HH2 ARG 24 -10.163 8.921 -9.703 870 H LYS 25 H LYS 25 -2.820 10.423 -4.462 871 HA LYS 25 HA LYS 25 -2.001 7.632 -4.690 872 HB2 LYS 25 2HB LYS 25 -1.934 9.624 -2.382 873 HB3 LYS 25 1HB LYS 25 -1.429 7.943 -2.215 874 HG2 LYS 25 2HG LYS 25 0.304 8.353 -3.991 875 HG3 LYS 25 1HG LYS 25 -0.137 10.068 -3.960 876 HD2 LYS 25 2HD LYS 25 0.528 10.277 -1.653 877 HD3 LYS 25 1HD LYS 25 0.709 8.534 -1.479 878 HE2 LYS 25 2HE LYS 25 2.631 8.636 -3.080 879 HE3 LYS 25 1HE LYS 25 2.482 10.397 -3.081 880 HZ1 LYS 25 3HZ LYS 25 4.150 9.668 -1.492 881 HZ2 LYS 25 1HZ LYS 25 3.011 8.701 -0.694 882 HZ3 LYS 25 2HZ LYS 25 2.850 10.382 -0.681 883 H GLU 26 H GLU 26 -3.683 6.263 -4.716 884 HA GLU 26 HA GLU 26 -5.860 6.599 -2.745 885 HB2 GLU 26 2HB GLU 26 -7.505 6.036 -4.545 886 HB3 GLU 26 1HB GLU 26 -6.668 7.560 -4.817 887 HG2 GLU 26 2HG GLU 26 -5.128 6.353 -6.406 888 HG3 GLU 26 1HG GLU 26 -6.140 4.923 -6.213 889 H LEU 27 H LEU 27 -6.733 4.855 -1.952 890 HA LEU 27 HA LEU 27 -5.883 2.160 -2.692 891 HB2 LEU 27 2HB LEU 27 -5.811 2.717 -0.296 892 HB3 LEU 27 1HB LEU 27 -7.477 3.268 -0.339 893 HG LEU 27 HG LEU 27 -8.190 0.898 -0.863 894 HD11 LEU 27 1HD1 LEU 27 -6.643 -0.959 -0.447 895 HD12 LEU 27 2HD1 LEU 27 -5.310 0.188 -0.277 896 HD13 LEU 27 3HD1 LEU 27 -6.145 0.023 -1.823 897 HD21 LEU 27 3HD2 LEU 27 -6.695 1.231 1.744 898 HD22 LEU 27 1HD2 LEU 27 -7.990 0.075 1.415 899 HD23 LEU 27 2HD2 LEU 27 -8.332 1.803 1.406 900 H ASN 28 H ASN 28 -7.095 1.369 -4.284 901 HA ASN 28 HA ASN 28 -10.036 1.580 -4.247 902 HB2 ASN 28 2HB ASN 28 -10.150 2.187 -6.608 903 HB3 ASN 28 1HB ASN 28 -9.168 3.385 -5.780 904 HD21 ASN 28 1HD2 ASN 28 -6.880 3.380 -6.175 905 HD22 ASN 28 2HD2 ASN 28 -6.242 2.651 -7.601 906 H ARG 29 H ARG 29 -10.999 -0.125 -5.686 907 HA ARG 29 HA ARG 29 -9.386 -2.578 -5.580 908 HB2 ARG 29 2HB ARG 29 -12.398 -2.192 -5.808 909 HB3 ARG 29 1HB ARG 29 -11.591 -3.756 -5.931 910 HG2 ARG 29 2HG ARG 29 -10.638 -3.328 -3.608 911 HG3 ARG 29 1HG ARG 29 -11.736 -1.946 -3.499 912 HD2 ARG 29 2HD ARG 29 -12.709 -3.919 -2.415 913 HD3 ARG 29 1HD ARG 29 -13.656 -3.462 -3.833 914 HE ARG 29 HE ARG 29 -11.610 -5.551 -4.148 915 HH11 ARG 29 1HH1 ARG 29 -15.046 -4.794 -3.968 916 HH12 ARG 29 2HH1 ARG 29 -15.534 -6.331 -4.607 917 HH21 ARG 29 1HH2 ARG 29 -12.285 -7.558 -4.983 918 HH22 ARG 29 2HH2 ARG 29 -13.974 -7.886 -5.178 919 H VAL 30 H VAL 30 -8.706 -3.495 -7.361 920 HA VAL 30 HA VAL 30 -9.711 -2.659 -10.029 921 HB VAL 30 HB VAL 30 -6.780 -3.216 -9.318 922 HG11 VAL 30 1HG1 VAL 30 -7.990 -2.311 -11.959 923 HG12 VAL 30 2HG1 VAL 30 -7.270 -3.888 -11.627 924 HG13 VAL 30 3HG1 VAL 30 -6.259 -2.441 -11.620 925 HG21 VAL 30 3HG2 VAL 30 -6.358 -0.825 -9.751 926 HG22 VAL 30 1HG2 VAL 30 -7.483 -1.050 -8.406 927 HG23 VAL 30 2HG2 VAL 30 -8.089 -0.566 -9.990 928 H SER 31 H SER 31 -9.828 -4.257 -11.545 929 HA SER 31 HA SER 31 -9.271 -7.071 -10.828 930 HB2 SER 31 2HB SER 31 -11.595 -6.638 -11.610 931 HB3 SER 31 1HB SER 31 -10.977 -5.883 -13.078 932 HG SER 31 HG SER 31 -11.098 -8.582 -12.361 933 H TRP 32 H TRP 32 -7.356 -7.834 -11.676 934 HA TRP 32 HA TRP 32 -6.005 -6.291 -13.807 935 HB2 TRP 32 2HB TRP 32 -4.941 -8.059 -11.564 936 HB3 TRP 32 1HB TRP 32 -3.935 -7.501 -12.896 937 HD1 TRP 32 HD1 TRP 32 -5.375 -6.329 -9.579 938 HE1 TRP 32 HE1 TRP 32 -4.373 -4.019 -9.026 939 HE3 TRP 32 HE3 TRP 32 -3.274 -5.233 -14.118 940 HZ2 TRP 32 HZ2 TRP 32 -3.014 -1.957 -10.364 941 HZ3 TRP 32 HZ3 TRP 32 -2.145 -3.059 -14.399 942 HH2 TRP 32 HH2 TRP 32 -2.020 -1.455 -12.556 943 H ASN 33 H ASN 33 -6.063 -7.187 -15.703 944 HA ASN 33 HA ASN 33 -6.160 -8.593 -17.484 945 HB2 ASN 33 2HB ASN 33 -4.446 -10.199 -15.567 946 HB3 ASN 33 1HB ASN 33 -4.833 -10.846 -17.157 947 HD21 ASN 33 1HD2 ASN 33 -2.240 -10.033 -15.998 948 HD22 ASN 33 2HD2 ASN 33 -1.583 -8.898 -17.117 949 H ASP 34 H ASP 34 -8.469 -8.485 -16.154 950 HA ASP 34 HA ASP 34 -10.537 -9.371 -15.998 951 HB2 ASP 34 2HB ASP 34 -10.082 -10.043 -18.330 952 HB3 ASP 34 1HB ASP 34 -9.326 -11.532 -17.778 953 H ALA 35 H ALA 35 -8.309 -10.317 -14.045 954 HA ALA 35 HA ALA 35 -9.355 -12.937 -13.175 955 HB1 ALA 35 3HB ALA 35 -7.323 -13.045 -11.786 956 HB2 ALA 35 1HB ALA 35 -6.859 -11.428 -12.328 957 HB3 ALA 35 2HB ALA 35 -6.935 -12.760 -13.482 958 H GLU 36 H GLU 36 -8.905 -12.988 -10.573 959 HA GLU 36 HA GLU 36 -11.045 -12.045 -9.254 960 HB2 GLU 36 2HB GLU 36 -8.288 -12.386 -8.009 961 HB3 GLU 36 1HB GLU 36 -9.814 -12.398 -7.124 962 HG2 GLU 36 2HG GLU 36 -10.505 -14.446 -8.253 963 HG3 GLU 36 1HG GLU 36 -9.064 -14.406 -9.270 964 HA PRO 37 HA PRO 37 -10.379 -7.509 -8.938 965 HB2 PRO 37 2HB PRO 37 -12.713 -7.014 -7.499 966 HB3 PRO 37 1HB PRO 37 -12.660 -7.159 -9.268 967 HG2 PRO 37 2HG PRO 37 -13.435 -9.231 -7.244 968 HG3 PRO 37 1HG PRO 37 -14.202 -8.841 -8.801 969 HD2 PRO 37 2HD PRO 37 -12.569 -10.971 -8.547 970 HD3 PRO 37 1HD PRO 37 -12.597 -10.011 -10.045 971 H LYS 38 H LYS 38 -9.124 -6.631 -7.415 972 HA LYS 38 HA LYS 38 -8.981 -7.761 -4.701 973 HB2 LYS 38 2HB LYS 38 -6.526 -7.938 -4.923 974 HB3 LYS 38 1HB LYS 38 -7.319 -8.938 -6.133 975 HG2 LYS 38 2HG LYS 38 -6.914 -7.096 -7.819 976 HG3 LYS 38 1HG LYS 38 -5.977 -6.246 -6.586 977 HD2 LYS 38 2HD LYS 38 -4.451 -7.461 -8.050 978 HD3 LYS 38 1HD LYS 38 -4.434 -8.215 -6.453 979 HE2 LYS 38 2HE LYS 38 -5.970 -9.979 -7.284 980 HE3 LYS 38 1HE LYS 38 -5.969 -9.220 -8.879 981 HZ1 LYS 38 3HZ LYS 38 -3.574 -10.321 -7.512 982 HZ2 LYS 38 1HZ LYS 38 -3.622 -9.660 -9.068 983 HZ3 LYS 38 2HZ LYS 38 -4.446 -11.097 -8.734 984 H TYR 39 H TYR 39 -7.356 -6.346 -3.435 985 HA TYR 39 HA TYR 39 -8.154 -3.573 -3.720 986 HB2 TYR 39 2HB TYR 39 -6.377 -4.955 -1.658 987 HB3 TYR 39 1HB TYR 39 -6.976 -3.296 -1.548 988 HD1 TYR 39 HD2 TYR 39 -9.392 -2.856 -1.151 989 HD2 TYR 39 HD1 TYR 39 -7.893 -6.858 -1.195 990 HE1 TYR 39 HE2 TYR 39 -11.462 -3.647 -0.098 991 HE2 TYR 39 HE1 TYR 39 -9.971 -7.635 -0.150 992 HH TYR 39 HH TYR 39 -11.786 -6.639 1.311 993 H ASP 40 H ASP 40 -6.830 -1.950 -4.260 994 HA ASP 40 HA ASP 40 -4.006 -2.456 -5.013 995 HB2 ASP 40 2HB ASP 40 -5.766 -2.358 -6.953 996 HB3 ASP 40 1HB ASP 40 -5.875 -0.637 -6.610 997 H ILE 41 H ILE 41 -2.612 -0.918 -4.332 998 HA ILE 41 HA ILE 41 -3.626 1.638 -3.284 999 HB ILE 41 HB ILE 41 -3.473 0.263 -1.300 1000 HG12 ILE 41 2HG1 ILE 41 -1.049 2.110 -1.393 1001 HG13 ILE 41 1HG1 ILE 41 -2.705 2.623 -1.100 1002 HG21 ILE 41 1HG2 ILE 41 -0.625 -0.433 -2.046 1003 HG22 ILE 41 2HG2 ILE 41 -2.009 -1.525 -2.081 1004 HG23 ILE 41 3HG2 ILE 41 -1.431 -0.884 -0.541 1005 HD11 ILE 41 3HD1 ILE 41 -2.729 1.318 0.979 1006 HD12 ILE 41 1HD1 ILE 41 -1.453 2.533 0.958 1007 HD13 ILE 41 2HD1 ILE 41 -1.054 0.837 0.687 1008 H ARG 42 H ARG 42 -2.732 3.013 -4.518 1009 HA ARG 42 HA ARG 42 0.021 2.987 -5.466 1010 HB2 ARG 42 2HB ARG 42 -0.895 1.135 -6.799 1011 HB3 ARG 42 1HB ARG 42 -2.232 2.137 -7.346 1012 HG2 ARG 42 2HG ARG 42 -0.799 3.441 -8.759 1013 HG3 ARG 42 1HG ARG 42 0.658 2.766 -8.031 1014 HD2 ARG 42 2HD ARG 42 -1.343 1.105 -9.592 1015 HD3 ARG 42 1HD ARG 42 0.054 1.890 -10.333 1016 HE ARG 42 HE ARG 42 1.488 0.514 -8.908 1017 HH11 ARG 42 1HH1 ARG 42 -1.819 -0.555 -9.267 1018 HH12 ARG 42 2HH1 ARG 42 -1.467 -2.204 -8.882 1019 HH21 ARG 42 1HH2 ARG 42 1.958 -1.656 -8.359 1020 HH22 ARG 42 2HH2 ARG 42 0.689 -2.839 -8.363 1021 H THR 43 H THR 43 0.383 4.764 -7.200 1022 HA THR 43 HA THR 43 -1.424 7.011 -6.716 1023 HB THR 43 HB THR 43 1.416 7.055 -7.855 1024 HG1 THR 43 HG1 THR 43 0.587 6.773 -5.251 1025 HG21 THR 43 3HG2 THR 43 1.343 9.449 -7.224 1026 HG22 THR 43 1HG2 THR 43 -0.317 9.251 -6.650 1027 HG23 THR 43 2HG2 THR 43 0.057 9.056 -8.367 1028 H TRP 44 H TRP 44 -2.770 7.305 -8.367 1029 HA TRP 44 HA TRP 44 -2.208 6.244 -11.087 1030 HB2 TRP 44 2HB TRP 44 -4.860 6.595 -9.598 1031 HB3 TRP 44 1HB TRP 44 -4.744 6.194 -11.306 1032 HD1 TRP 44 HD1 TRP 44 -4.206 4.597 -7.816 1033 HE1 TRP 44 HE1 TRP 44 -4.372 2.027 -8.112 1034 HE3 TRP 44 HE3 TRP 44 -4.300 4.337 -12.929 1035 HZ2 TRP 44 HZ2 TRP 44 -4.433 0.165 -10.194 1036 HZ3 TRP 44 HZ3 TRP 44 -4.410 2.119 -13.995 1037 HH2 TRP 44 HH2 TRP 44 -4.475 0.071 -12.655 1038 H SER 45 H SER 45 -3.187 7.575 -12.815 1039 HA SER 45 HA SER 45 -3.169 10.455 -12.333 1040 HB2 SER 45 2HB SER 45 -3.765 8.783 -14.800 1041 HB3 SER 45 1HB SER 45 -3.937 10.543 -14.790 1042 HG SER 45 HG SER 45 -1.562 9.547 -13.782 1043 HA PRO 46 HA PRO 46 -7.579 11.182 -11.527 1044 HB2 PRO 46 2HB PRO 46 -8.133 13.119 -13.552 1045 HB3 PRO 46 1HB PRO 46 -7.553 13.455 -11.911 1046 HG2 PRO 46 2HG PRO 46 -5.979 13.243 -14.449 1047 HG3 PRO 46 1HG PRO 46 -5.769 14.364 -13.083 1048 HD2 PRO 46 2HD PRO 46 -4.121 12.286 -13.378 1049 HD3 PRO 46 1HD PRO 46 -4.685 12.749 -11.755 1050 H ASP 47 H ASP 47 -6.623 10.797 -14.925 1051 HA ASP 47 HA ASP 47 -9.170 9.813 -15.852 1052 HB2 ASP 47 2HB ASP 47 -6.423 9.715 -17.194 1053 HB3 ASP 47 1HB ASP 47 -7.962 9.417 -17.998 1054 H HIS 48 H HIS 48 -6.616 8.335 -14.102 1055 HA HIS 48 HA HIS 48 -6.047 6.289 -13.481 1056 HB2 HIS 48 2HB HIS 48 -8.904 5.672 -14.260 1057 HB3 HIS 48 1HB HIS 48 -7.872 4.526 -13.414 1058 HD1 HIS 48 HD1 HIS 48 -10.565 5.816 -12.310 1059 HD2 HIS 48 HD2 HIS 48 -6.704 6.878 -11.235 1060 HE1 HIS 48 HE1 HIS 48 -10.732 6.779 -10.010 1061 HE2 HIS 48 HE2 HIS 48 -8.370 7.174 -9.306 1062 H GLU 49 H GLU 49 -5.855 6.981 -16.479 1063 HA GLU 49 HA GLU 49 -5.670 4.328 -17.720 1064 HB2 GLU 49 2HB GLU 49 -5.068 5.587 -19.772 1065 HB3 GLU 49 1HB GLU 49 -6.571 6.185 -19.076 1066 HG2 GLU 49 2HG GLU 49 -5.399 8.115 -18.112 1067 HG3 GLU 49 1HG GLU 49 -3.858 7.510 -18.716 1068 H LYS 50 H LYS 50 -3.798 6.453 -15.883 1069 HA LYS 50 HA LYS 50 -1.223 5.250 -16.701 1070 HB2 LYS 50 2HB LYS 50 -1.721 7.978 -15.448 1071 HB3 LYS 50 1HB LYS 50 -0.148 7.320 -15.836 1072 HG2 LYS 50 2HG LYS 50 -2.123 7.690 -18.075 1073 HG3 LYS 50 1HG LYS 50 -1.361 9.122 -17.385 1074 HD2 LYS 50 2HD LYS 50 -0.036 8.477 -19.270 1075 HD3 LYS 50 1HD LYS 50 0.887 8.048 -17.835 1076 HE2 LYS 50 2HE LYS 50 0.281 5.696 -18.107 1077 HE3 LYS 50 1HE LYS 50 -0.767 6.095 -19.468 1078 HZ1 LYS 50 3HZ LYS 50 1.174 6.868 -20.680 1079 HZ2 LYS 50 1HZ LYS 50 1.347 5.248 -20.225 1080 HZ3 LYS 50 2HZ LYS 50 2.176 6.458 -19.385 1081 H MET 51 H MET 51 -0.096 4.333 -15.123 1082 HA MET 51 HA MET 51 -0.875 4.598 -12.283 1083 HB2 MET 51 2HB MET 51 -0.366 2.160 -12.007 1084 HB3 MET 51 1HB MET 51 -1.752 2.459 -13.039 1085 HG2 MET 51 2HG MET 51 -0.385 2.008 -15.031 1086 HG3 MET 51 1HG MET 51 1.025 1.726 -14.004 1087 HE1 MET 51 3HE MET 51 -0.179 -0.353 -16.228 1088 HE2 MET 51 1HE MET 51 -0.032 -1.880 -15.359 1089 HE3 MET 51 2HE MET 51 1.282 -0.704 -15.301 1090 H GLY 52 H GLY 52 0.938 3.883 -10.840 1091 HA2 GLY 52 2HA GLY 52 3.637 3.899 -11.943 1092 HA3 GLY 52 1HA GLY 52 3.188 5.312 -10.991 1093 H LYS 53 H LYS 53 4.288 5.082 -9.107 1094 HA LYS 53 HA LYS 53 5.109 2.643 -7.987 1095 HB2 LYS 53 2HB LYS 53 4.870 5.389 -6.693 1096 HB3 LYS 53 1HB LYS 53 5.682 4.017 -5.947 1097 HG2 LYS 53 2HG LYS 53 6.505 5.348 -8.553 1098 HG3 LYS 53 1HG LYS 53 7.277 5.587 -6.983 1099 HD2 LYS 53 2HD LYS 53 7.885 3.155 -6.944 1100 HD3 LYS 53 1HD LYS 53 7.166 2.969 -8.547 1101 HE2 LYS 53 2HE LYS 53 8.822 4.568 -9.460 1102 HE3 LYS 53 1HE LYS 53 9.541 4.737 -7.856 1103 HZ1 LYS 53 3HZ LYS 53 9.447 2.271 -9.504 1104 HZ2 LYS 53 1HZ LYS 53 10.029 2.337 -7.919 1105 HZ3 LYS 53 2HZ LYS 53 10.812 3.199 -9.147 1106 H GLY 54 H GLY 54 3.843 1.092 -7.081 1107 HA2 GLY 54 2HA GLY 54 2.278 1.468 -4.819 1108 HA3 GLY 54 1HA GLY 54 1.214 1.418 -6.220 1109 H ILE 55 H ILE 55 0.608 -0.504 -4.745 1110 HA ILE 55 HA ILE 55 1.845 -2.965 -5.740 1111 HB ILE 55 HB ILE 55 3.139 -2.552 -3.695 1112 HG12 ILE 55 2HG1 ILE 55 1.117 -4.796 -3.270 1113 HG13 ILE 55 1HG1 ILE 55 2.628 -4.909 -4.159 1114 HG21 ILE 55 1HG2 ILE 55 1.596 -1.058 -2.511 1115 HG22 ILE 55 2HG2 ILE 55 2.156 -2.359 -1.458 1116 HG23 ILE 55 3HG2 ILE 55 0.534 -2.423 -2.154 1117 HD11 ILE 55 3HD1 ILE 55 2.802 -5.965 -1.997 1118 HD12 ILE 55 1HD1 ILE 55 2.358 -4.461 -1.188 1119 HD13 ILE 55 2HD1 ILE 55 3.874 -4.569 -2.087 1120 H THR 56 H THR 56 0.498 -4.751 -5.597 1121 HA THR 56 HA THR 56 -2.398 -4.283 -5.299 1122 HB THR 56 HB THR 56 -2.513 -6.648 -6.334 1123 HG1 THR 56 HG1 THR 56 -0.588 -7.590 -6.182 1124 HG21 THR 56 3HG2 THR 56 -2.855 -4.639 -7.722 1125 HG22 THR 56 1HG2 THR 56 -2.004 -5.900 -8.618 1126 HG23 THR 56 2HG2 THR 56 -1.111 -4.519 -7.980 1127 H LEU 57 H LEU 57 -3.626 -5.474 -3.845 1128 HA LEU 57 HA LEU 57 -2.365 -7.349 -1.941 1129 HB2 LEU 57 2HB LEU 57 -4.435 -5.194 -1.271 1130 HB3 LEU 57 1HB LEU 57 -3.789 -6.374 -0.143 1131 HG LEU 57 HG LEU 57 -2.222 -4.092 -1.421 1132 HD11 LEU 57 1HD1 LEU 57 -2.169 -3.118 0.830 1133 HD12 LEU 57 2HD1 LEU 57 -3.194 -4.422 1.437 1134 HD13 LEU 57 3HD1 LEU 57 -3.820 -3.286 0.238 1135 HD21 LEU 57 3HD2 LEU 57 -0.766 -6.018 -1.049 1136 HD22 LEU 57 1HD2 LEU 57 -1.306 -6.141 0.629 1137 HD23 LEU 57 2HD2 LEU 57 -0.384 -4.732 0.092 1138 H SER 58 H SER 58 -3.686 -9.094 -1.471 1139 HA SER 58 HA SER 58 -6.245 -9.409 -2.909 1140 HB2 SER 58 2HB SER 58 -4.796 -11.424 -1.127 1141 HB3 SER 58 1HB SER 58 -6.132 -11.757 -2.235 1142 HG SER 58 HG SER 58 -3.443 -11.439 -2.735 1143 H GLU 59 H GLU 59 -8.018 -10.564 -1.469 1144 HA GLU 59 HA GLU 59 -8.835 -8.889 0.645 1145 HB2 GLU 59 2HB GLU 59 -9.727 -11.720 -0.015 1146 HB3 GLU 59 1HB GLU 59 -10.582 -10.617 1.066 1147 HG2 GLU 59 2HG GLU 59 -11.013 -9.076 -0.785 1148 HG3 GLU 59 1HG GLU 59 -10.072 -10.087 -1.884 1149 H GLU 60 H GLU 60 -7.006 -11.938 0.643 1150 HA GLU 60 HA GLU 60 -6.824 -12.444 3.378 1151 HB2 GLU 60 2HB GLU 60 -4.802 -12.893 1.156 1152 HB3 GLU 60 1HB GLU 60 -4.629 -13.556 2.778 1153 HG2 GLU 60 2HG GLU 60 -6.689 -14.869 2.475 1154 HG3 GLU 60 1HG GLU 60 -6.904 -14.178 0.865 1155 H GLU 61 H GLU 61 -4.430 -10.631 1.357 1156 HA GLU 61 HA GLU 61 -2.740 -9.836 3.444 1157 HB2 GLU 61 2HB GLU 61 -3.201 -8.536 0.727 1158 HB3 GLU 61 1HB GLU 61 -1.955 -8.003 1.848 1159 HG2 GLU 61 2HG GLU 61 -0.708 -9.377 0.519 1160 HG3 GLU 61 1HG GLU 61 -1.199 -10.531 1.752 1161 H PHE 62 H PHE 62 -5.378 -8.068 1.878 1162 HA PHE 62 HA PHE 62 -5.216 -5.684 3.344 1163 HB2 PHE 62 2HB PHE 62 -6.434 -6.047 1.158 1164 HB3 PHE 62 1HB PHE 62 -7.715 -6.850 2.058 1165 HD1 PHE 62 HD2 PHE 62 -5.869 -3.616 1.761 1166 HD2 PHE 62 HD1 PHE 62 -9.482 -5.540 3.029 1167 HE1 PHE 62 HE2 PHE 62 -6.919 -1.427 2.134 1168 HE2 PHE 62 HE1 PHE 62 -10.513 -3.343 3.396 1169 HZ PHE 62 HZ PHE 62 -9.238 -1.291 2.948 1170 H GLY 63 H GLY 63 -7.104 -8.697 3.952 1171 HA2 GLY 63 2HA GLY 63 -8.525 -7.867 6.209 1172 HA3 GLY 63 1HA GLY 63 -8.039 -9.513 5.849 1173 H VAL 64 H VAL 64 -5.296 -9.367 5.965 1174 HA VAL 64 HA VAL 64 -4.652 -9.469 8.704 1175 HB VAL 64 HB VAL 64 -2.795 -9.195 6.294 1176 HG11 VAL 64 1HG1 VAL 64 -2.094 -10.051 9.127 1177 HG12 VAL 64 2HG1 VAL 64 -1.594 -8.552 8.340 1178 HG13 VAL 64 3HG1 VAL 64 -1.000 -10.097 7.735 1179 HG21 VAL 64 3HG2 VAL 64 -2.509 -11.637 6.443 1180 HG22 VAL 64 1HG2 VAL 64 -4.209 -11.221 6.197 1181 HG23 VAL 64 2HG2 VAL 64 -3.640 -11.700 7.797 1182 H LEU 65 H LEU 65 -4.139 -6.933 6.232 1183 HA LEU 65 HA LEU 65 -2.753 -5.015 7.675 1184 HB2 LEU 65 2HB LEU 65 -3.287 -5.005 5.197 1185 HB3 LEU 65 1HB LEU 65 -4.919 -4.512 5.599 1186 HG LEU 65 HG LEU 65 -3.869 -2.416 6.705 1187 HD11 LEU 65 1HD1 LEU 65 -1.420 -3.296 5.156 1188 HD12 LEU 65 2HD1 LEU 65 -1.581 -3.229 6.912 1189 HD13 LEU 65 3HD1 LEU 65 -1.647 -1.744 5.970 1190 HD21 LEU 65 3HD2 LEU 65 -3.560 -2.747 3.698 1191 HD22 LEU 65 1HD2 LEU 65 -3.685 -1.217 4.574 1192 HD23 LEU 65 2HD2 LEU 65 -5.052 -2.329 4.548 1193 H LEU 66 H LEU 66 -6.320 -5.396 7.264 1194 HA LEU 66 HA LEU 66 -7.196 -3.257 8.843 1195 HB2 LEU 66 2HB LEU 66 -8.535 -5.925 8.246 1196 HB3 LEU 66 1HB LEU 66 -9.358 -4.573 9.008 1197 HG LEU 66 HG LEU 66 -8.224 -4.595 6.186 1198 HD11 LEU 66 1HD1 LEU 66 -10.552 -4.524 5.439 1199 HD12 LEU 66 2HD1 LEU 66 -11.111 -4.623 7.111 1200 HD13 LEU 66 3HD1 LEU 66 -10.232 -5.973 6.390 1201 HD21 LEU 66 3HD2 LEU 66 -8.037 -2.358 7.133 1202 HD22 LEU 66 1HD2 LEU 66 -9.734 -2.387 7.623 1203 HD23 LEU 66 2HD2 LEU 66 -9.302 -2.400 5.910 1204 H LYS 67 H LYS 67 -6.465 -6.620 9.731 1205 HA LYS 67 HA LYS 67 -7.418 -6.653 12.387 1206 HB2 LYS 67 2HB LYS 67 -5.245 -8.237 10.983 1207 HB3 LYS 67 1HB LYS 67 -5.742 -8.586 12.636 1208 HG2 LYS 67 2HG LYS 67 -7.872 -9.355 11.973 1209 HG3 LYS 67 1HG LYS 67 -7.761 -8.585 10.383 1210 HD2 LYS 67 2HD LYS 67 -7.463 -11.102 10.335 1211 HD3 LYS 67 1HD LYS 67 -6.123 -10.201 9.630 1212 HE2 LYS 67 2HE LYS 67 -4.802 -10.538 11.683 1213 HE3 LYS 67 1HE LYS 67 -6.151 -11.403 12.427 1214 HZ1 LYS 67 3HZ LYS 67 -4.549 -12.946 11.550 1215 HZ2 LYS 67 1HZ LYS 67 -4.637 -12.247 10.013 1216 HZ3 LYS 67 2HZ LYS 67 -5.976 -13.059 10.649 1217 H GLU 68 H GLU 68 -4.064 -6.233 11.179 1218 HA GLU 68 HA GLU 68 -3.016 -5.839 13.817 1219 HB2 GLU 68 2HB GLU 68 -1.631 -5.333 11.168 1220 HB3 GLU 68 1HB GLU 68 -0.853 -5.574 12.726 1221 HG2 GLU 68 2HG GLU 68 -2.352 -7.619 11.069 1222 HG3 GLU 68 1HG GLU 68 -0.628 -7.596 11.432 1223 H LEU 69 H LEU 69 -4.032 -3.683 11.221 1224 HA LEU 69 HA LEU 69 -3.188 -1.254 12.455 1225 HB2 LEU 69 2HB LEU 69 -5.460 -1.736 10.494 1226 HB3 LEU 69 1HB LEU 69 -4.946 -0.144 11.032 1227 HG LEU 69 HG LEU 69 -3.334 -2.096 9.349 1228 HD11 LEU 69 1HD1 LEU 69 -4.485 0.616 8.665 1229 HD12 LEU 69 2HD1 LEU 69 -5.078 -0.949 8.102 1230 HD13 LEU 69 3HD1 LEU 69 -3.483 -0.387 7.609 1231 HD21 LEU 69 3HD2 LEU 69 -2.474 0.628 10.353 1232 HD22 LEU 69 1HD2 LEU 69 -1.596 -0.401 9.213 1233 HD23 LEU 69 2HD2 LEU 69 -1.823 -0.929 10.878 1234 H GLY 70 H GLY 70 -6.111 -3.267 12.651 1235 HA2 GLY 70 2HA GLY 70 -7.717 -1.660 14.310 1236 HA3 GLY 70 1HA GLY 70 -7.767 -3.414 14.223 1237 H ASN 71 H ASN 71 -5.150 -3.936 15.098 1238 HA ASN 71 HA ASN 71 -5.150 -3.740 17.925 1239 HB2 ASN 71 2HB ASN 71 -2.820 -4.219 15.997 1240 HB3 ASN 71 1HB ASN 71 -2.689 -4.383 17.747 1241 HD21 ASN 71 1HD2 ASN 71 -2.373 -6.372 15.546 1242 HD22 ASN 71 2HD2 ASN 71 -3.440 -7.668 15.954 1243 H LYS 72 H LYS 72 -2.997 -2.111 15.627 1244 HA LYS 72 HA LYS 72 -1.959 -0.031 17.122 1245 HB2 LYS 72 2HB LYS 72 -2.744 0.094 14.186 1246 HB3 LYS 72 1HB LYS 72 -1.692 1.265 14.983 1247 HG2 LYS 72 2HG LYS 72 -0.102 -0.565 15.521 1248 HG3 LYS 72 1HG LYS 72 -1.132 -1.697 14.641 1249 HD2 LYS 72 2HD LYS 72 -0.756 -0.457 12.551 1250 HD3 LYS 72 1HD LYS 72 0.177 0.764 13.422 1251 HE2 LYS 72 2HE LYS 72 0.931 -2.143 12.994 1252 HE3 LYS 72 1HE LYS 72 1.716 -0.726 12.296 1253 HZ1 LYS 72 3HZ LYS 72 3.029 -1.466 14.109 1254 HZ2 LYS 72 1HZ LYS 72 1.698 -1.553 15.148 1255 HZ3 LYS 72 2HZ LYS 72 2.263 -0.048 14.625 1256 H LEU 73 H LEU 73 -5.233 -0.133 15.880 1257 HA LEU 73 HA LEU 73 -5.761 2.704 16.263 1258 HB2 LEU 73 2HB LEU 73 -7.483 0.418 15.236 1259 HB3 LEU 73 1HB LEU 73 -8.130 2.031 15.493 1260 HG LEU 73 HG LEU 73 -5.875 1.344 13.568 1261 HD11 LEU 73 1HD1 LEU 73 -8.015 0.465 12.776 1262 HD12 LEU 73 2HD1 LEU 73 -7.460 1.798 11.767 1263 HD13 LEU 73 3HD1 LEU 73 -8.753 2.061 12.941 1264 HD21 LEU 73 3HD2 LEU 73 -7.286 3.995 14.028 1265 HD22 LEU 73 1HD2 LEU 73 -6.080 3.657 12.782 1266 HD23 LEU 73 2HD2 LEU 73 -5.623 3.603 14.478 1267 H GLU 74 H GLU 74 -5.548 0.251 18.448 1268 HA GLU 74 HA GLU 74 -7.717 0.854 20.194 1269 HB2 GLU 74 2HB GLU 74 -4.916 -0.231 20.694 1270 HB3 GLU 74 1HB GLU 74 -6.101 -0.030 21.985 1271 HG2 GLU 74 2HG GLU 74 -7.605 -1.623 20.943 1272 HG3 GLU 74 1HG GLU 74 -6.574 -1.730 19.516 1273 H HIS 75 H HIS 75 -4.318 2.079 20.100 1274 HA HIS 75 HA HIS 75 -4.808 4.385 21.669 1275 HB2 HIS 75 2HB HIS 75 -2.698 3.968 19.501 1276 HB3 HIS 75 1HB HIS 75 -2.737 5.346 20.596 1277 HD1 HIS 75 HD1 HIS 75 -2.632 4.595 23.268 1278 HD2 HIS 75 HD2 HIS 75 -1.161 1.922 20.444 1279 HE1 HIS 75 HE1 HIS 75 -1.178 2.990 24.542 1280 HE2 HIS 75 HE2 HIS 75 -0.222 1.448 22.795 1281 H HIS 76 H HIS 76 -6.854 5.057 20.986 1282 HA HIS 76 HA HIS 76 -6.905 6.812 18.613 1283 HB2 HIS 76 2HB HIS 76 -9.254 6.167 18.170 1284 HB3 HIS 76 1HB HIS 76 -8.205 4.762 18.072 1285 HD1 HIS 76 HD1 HIS 76 -8.661 2.830 19.697 1286 HD2 HIS 76 HD2 HIS 76 -11.082 6.118 20.407 1287 HE1 HIS 76 HE1 HIS 76 -10.435 2.037 21.275 1288 HE2 HIS 76 HE2 HIS 76 -11.900 4.039 21.671 1289 H HIS 77 H HIS 77 -7.918 8.788 18.963 1290 HA HIS 77 HA HIS 77 -8.200 9.546 21.780 1291 HB2 HIS 77 2HB HIS 77 -7.972 11.231 19.252 1292 HB3 HIS 77 1HB HIS 77 -8.095 11.894 20.882 1293 HD1 HIS 77 HD1 HIS 77 -5.662 10.545 18.467 1294 HD2 HIS 77 HD2 HIS 77 -5.790 11.269 22.557 1295 HE1 HIS 77 HE1 HIS 77 -3.282 10.438 19.248 1296 HE2 HIS 77 HE2 HIS 77 -3.389 10.839 21.726 1297 H HIS 78 H HIS 78 -10.245 8.031 21.315 1298 HA HIS 78 HA HIS 78 -12.539 9.810 21.615 1299 HB2 HIS 78 2HB HIS 78 -12.524 7.482 19.624 1300 HB3 HIS 78 1HB HIS 78 -13.993 8.262 20.194 1301 HD1 HIS 78 HD1 HIS 78 -11.359 8.511 17.660 1302 HD2 HIS 78 HD2 HIS 78 -14.248 11.021 19.281 1303 HE1 HIS 78 HE1 HIS 78 -11.526 10.453 16.084 1304 HE2 HIS 78 HE2 HIS 78 -13.219 11.992 17.123 1305 H HIS 79 H HIS 79 -12.037 9.214 23.805 1306 HA HIS 79 HA HIS 79 -11.972 6.536 24.758 1307 HB2 HIS 79 2HB HIS 79 -10.922 8.375 26.016 1308 HB3 HIS 79 1HB HIS 79 -12.486 9.143 26.262 1309 HD1 HIS 79 HD1 HIS 79 -14.092 8.048 28.014 1310 HD2 HIS 79 HD2 HIS 79 -10.348 6.256 27.779 1311 HE1 HIS 79 HE1 HIS 79 -13.921 6.566 30.031 1312 HE2 HIS 79 HE2 HIS 79 -11.723 5.376 29.775 1313 H HIS 80 H HIS 80 -13.689 5.260 24.429 1314 HA HIS 80 HA HIS 80 -16.451 6.265 24.531 1315 HB2 HIS 80 2HB HIS 80 -15.318 3.598 23.569 1316 HB3 HIS 80 1HB HIS 80 -17.027 4.026 23.522 1317 HD1 HIS 80 HD1 HIS 80 -14.726 3.559 21.135 1318 HD2 HIS 80 HD2 HIS 80 -16.810 6.998 22.184 1319 HE1 HIS 80 HE1 HIS 80 -14.652 5.037 19.112 1320 HE2 HIS 80 HE2 HIS 80 -15.885 7.121 19.782 Start of MODEL 19 1 H1 MET 1 1H MET 1 25.862 15.470 -1.121 2 H2 MET 1 2H MET 1 24.623 15.244 -0.003 3 H3 MET 1 3H MET 1 24.730 16.698 -0.855 4 HA MET 1 HA MET 1 22.975 15.305 -1.724 5 HB2 MET 1 2HB MET 1 25.387 15.598 -3.563 6 HB3 MET 1 1HB MET 1 23.767 15.194 -4.123 7 HG2 MET 1 2HG MET 1 22.959 17.355 -3.185 8 HG3 MET 1 1HG MET 1 24.629 17.758 -2.784 9 HE1 MET 1 3HE MET 1 22.065 17.021 -5.705 10 HE2 MET 1 1HE MET 1 23.321 15.816 -5.998 11 HE3 MET 1 2HE MET 1 23.109 17.159 -7.120 12 H ALA 2 H ALA 2 22.458 13.368 -3.046 13 HA ALA 2 HA ALA 2 24.104 11.019 -2.285 14 HB1 ALA 2 3HB ALA 2 22.246 11.274 -0.698 15 HB2 ALA 2 1HB ALA 2 22.049 9.823 -1.682 16 HB3 ALA 2 2HB ALA 2 21.090 11.264 -2.029 17 H ASP 3 H ASP 3 24.910 10.807 -4.344 18 HA ASP 3 HA ASP 3 23.389 10.433 -6.737 19 HB2 ASP 3 2HB ASP 3 26.153 9.302 -6.062 20 HB3 ASP 3 1HB ASP 3 25.466 9.490 -7.675 21 H LYS 4 H LYS 4 24.269 8.456 -4.070 22 HA LYS 4 HA LYS 4 22.990 6.024 -5.162 23 HB2 LYS 4 2HB LYS 4 25.274 5.658 -4.235 24 HB3 LYS 4 1HB LYS 4 24.799 6.406 -2.715 25 HG2 LYS 4 2HG LYS 4 23.142 4.551 -2.372 26 HG3 LYS 4 1HG LYS 4 23.756 3.776 -3.838 27 HD2 LYS 4 2HD LYS 4 26.030 3.661 -2.777 28 HD3 LYS 4 1HD LYS 4 25.350 4.363 -1.304 29 HE2 LYS 4 2HE LYS 4 25.534 1.945 -1.071 30 HE3 LYS 4 1HE LYS 4 23.830 2.407 -1.099 31 HZ1 LYS 4 3HZ LYS 4 24.328 0.446 -2.466 32 HZ2 LYS 4 1HZ LYS 4 25.342 1.380 -3.444 33 HZ3 LYS 4 2HZ LYS 4 23.685 1.712 -3.381 34 H LEU 5 H LEU 5 20.993 5.510 -4.316 35 HA LEU 5 HA LEU 5 19.832 7.307 -2.305 36 HB2 LEU 5 2HB LEU 5 18.453 5.035 -3.805 37 HB3 LEU 5 1HB LEU 5 17.682 6.253 -2.799 38 HG LEU 5 HG LEU 5 18.918 6.637 -5.549 39 HD11 LEU 5 1HD1 LEU 5 16.093 7.079 -4.527 40 HD12 LEU 5 2HD1 LEU 5 16.641 5.722 -5.519 41 HD13 LEU 5 3HD1 LEU 5 16.651 7.354 -6.182 42 HD21 LEU 5 3HD2 LEU 5 18.355 9.044 -5.388 43 HD22 LEU 5 1HD2 LEU 5 19.596 8.582 -4.223 44 HD23 LEU 5 2HD2 LEU 5 17.933 8.833 -3.689 45 H LYS 6 H LYS 6 18.977 6.514 -0.361 46 HA LYS 6 HA LYS 6 19.964 3.855 0.504 47 HB2 LYS 6 2HB LYS 6 19.718 6.363 2.236 48 HB3 LYS 6 1HB LYS 6 20.282 4.785 2.763 49 HG2 LYS 6 2HG LYS 6 21.687 6.631 0.813 50 HG3 LYS 6 1HG LYS 6 22.161 6.318 2.478 51 HD2 LYS 6 2HD LYS 6 22.122 4.213 0.276 52 HD3 LYS 6 1HD LYS 6 23.559 5.105 0.762 53 HE2 LYS 6 2HE LYS 6 21.961 3.285 2.597 54 HE3 LYS 6 1HE LYS 6 23.434 2.816 1.751 55 HZ1 LYS 6 3HZ LYS 6 23.816 3.473 4.059 56 HZ2 LYS 6 1HZ LYS 6 23.255 5.029 3.717 57 HZ3 LYS 6 2HZ LYS 6 24.656 4.452 2.974 58 H PHE 7 H PHE 7 18.504 2.624 1.615 59 HA PHE 7 HA PHE 7 15.883 3.731 2.357 60 HB2 PHE 7 2HB PHE 7 14.851 1.551 1.521 61 HB3 PHE 7 1HB PHE 7 15.406 2.629 0.253 62 HD1 PHE 7 HD1 PHE 7 17.549 2.082 -1.004 63 HD2 PHE 7 HD2 PHE 7 15.762 -0.666 1.738 64 HE1 PHE 7 HE1 PHE 7 18.862 0.243 -1.989 65 HE2 PHE 7 HE2 PHE 7 17.076 -2.504 0.749 66 HZ PHE 7 HZ PHE 7 18.625 -2.049 -1.111 67 H GLU 8 H GLU 8 15.472 3.215 4.471 68 HA GLU 8 HA GLU 8 16.916 0.966 5.724 69 HB2 GLU 8 2HB GLU 8 18.126 3.180 6.147 70 HB3 GLU 8 1HB GLU 8 16.674 3.765 6.946 71 HG2 GLU 8 2HG GLU 8 16.895 1.854 8.580 72 HG3 GLU 8 1HG GLU 8 18.448 1.466 7.839 73 H ILE 9 H ILE 9 15.454 -0.236 6.763 74 HA ILE 9 HA ILE 9 12.716 0.718 7.082 75 HB ILE 9 HB ILE 9 13.869 -2.028 7.803 76 HG12 ILE 9 2HG1 ILE 9 12.268 -1.075 5.374 77 HG13 ILE 9 1HG1 ILE 9 13.918 -1.681 5.364 78 HG21 ILE 9 1HG2 ILE 9 11.871 -1.463 9.164 79 HG22 ILE 9 2HG2 ILE 9 11.503 -2.745 8.013 80 HG23 ILE 9 3HG2 ILE 9 10.964 -1.095 7.692 81 HD11 ILE 9 3HD1 ILE 9 13.050 -3.903 6.056 82 HD12 ILE 9 1HD1 ILE 9 12.441 -3.346 4.498 83 HD13 ILE 9 2HD1 ILE 9 11.412 -3.258 5.924 84 H ILE 10 H ILE 10 12.433 1.994 8.657 85 HA ILE 10 HA ILE 10 14.146 2.276 10.973 86 HB ILE 10 HB ILE 10 11.531 3.706 10.259 87 HG12 ILE 10 2HG1 ILE 10 13.251 4.075 8.523 88 HG13 ILE 10 1HG1 ILE 10 12.955 5.556 9.420 89 HG21 ILE 10 1HG2 ILE 10 12.255 5.476 11.843 90 HG22 ILE 10 2HG2 ILE 10 13.642 4.492 12.317 91 HG23 ILE 10 3HG2 ILE 10 12.004 3.930 12.655 92 HD11 ILE 10 3HD1 ILE 10 15.307 5.292 8.969 93 HD12 ILE 10 1HD1 ILE 10 15.317 3.713 9.752 94 HD13 ILE 10 2HD1 ILE 10 15.021 5.169 10.704 95 H GLU 11 H GLU 11 10.954 1.044 10.146 96 HA GLU 11 HA GLU 11 10.727 -0.466 12.616 97 HB2 GLU 11 2HB GLU 11 9.885 1.760 13.331 98 HB3 GLU 11 1HB GLU 11 8.732 1.780 12.000 99 HG2 GLU 11 2HG GLU 11 7.494 -0.069 12.982 100 HG3 GLU 11 1HG GLU 11 8.704 -0.262 14.252 101 H GLU 12 H GLU 12 9.263 -2.187 12.380 102 HA GLU 12 HA GLU 12 7.886 -2.472 9.766 103 HB2 GLU 12 2HB GLU 12 8.383 -4.700 11.800 104 HB3 GLU 12 1HB GLU 12 7.784 -4.868 10.153 105 HG2 GLU 12 2HG GLU 12 10.018 -5.601 10.068 106 HG3 GLU 12 1HG GLU 12 10.054 -3.981 9.373 107 H LEU 13 H LEU 13 5.681 -2.706 9.687 108 HA LEU 13 HA LEU 13 4.243 -2.220 12.252 109 HB2 LEU 13 2HB LEU 13 3.245 -1.752 9.415 110 HB3 LEU 13 1HB LEU 13 2.409 -1.317 10.899 111 HG LEU 13 HG LEU 13 5.017 -0.096 9.922 112 HD11 LEU 13 1HD1 LEU 13 3.129 0.605 8.568 113 HD12 LEU 13 2HD1 LEU 13 3.688 1.938 9.570 114 HD13 LEU 13 3HD1 LEU 13 2.219 1.064 10.010 115 HD21 LEU 13 3HD2 LEU 13 4.772 1.504 11.787 116 HD22 LEU 13 1HD2 LEU 13 4.977 -0.148 12.368 117 HD23 LEU 13 2HD2 LEU 13 3.379 0.602 12.387 118 H ILE 14 H ILE 14 3.821 -3.957 9.173 119 HA ILE 14 HA ILE 14 2.412 -6.201 10.456 120 HB ILE 14 HB ILE 14 1.164 -4.661 8.101 121 HG12 ILE 14 2HG1 ILE 14 0.219 -4.650 11.009 122 HG13 ILE 14 1HG1 ILE 14 0.962 -3.291 10.172 123 HG21 ILE 14 1HG2 ILE 14 -0.792 -6.114 8.457 124 HG22 ILE 14 2HG2 ILE 14 0.024 -6.926 9.792 125 HG23 ILE 14 3HG2 ILE 14 0.651 -7.084 8.149 126 HD11 ILE 14 3HD1 ILE 14 -0.925 -3.164 8.656 127 HD12 ILE 14 1HD1 ILE 14 -1.448 -3.067 10.336 128 HD13 ILE 14 2HD1 ILE 14 -1.668 -4.565 9.435 129 H VAL 15 H VAL 15 3.059 -8.106 9.438 130 HA VAL 15 HA VAL 15 4.080 -8.000 6.657 131 HB VAL 15 HB VAL 15 4.112 -10.404 8.554 132 HG11 VAL 15 1HG1 VAL 15 5.570 -9.945 5.917 133 HG12 VAL 15 2HG1 VAL 15 4.215 -11.044 6.183 134 HG13 VAL 15 3HG1 VAL 15 5.762 -11.351 6.969 135 HG21 VAL 15 3HG2 VAL 15 5.496 -8.602 9.496 136 HG22 VAL 15 1HG2 VAL 15 6.371 -8.443 7.969 137 HG23 VAL 15 2HG2 VAL 15 6.514 -9.924 8.923 138 H LEU 16 H LEU 16 2.724 -8.532 5.037 139 HA LEU 16 HA LEU 16 -0.032 -9.305 5.710 140 HB2 LEU 16 2HB LEU 16 1.133 -8.193 3.125 141 HB3 LEU 16 1HB LEU 16 -0.574 -8.467 3.438 142 HG LEU 16 HG LEU 16 1.173 -6.492 4.954 143 HD11 LEU 16 1HD1 LEU 16 -0.089 -4.725 3.819 144 HD12 LEU 16 2HD1 LEU 16 -0.955 -5.933 2.865 145 HD13 LEU 16 3HD1 LEU 16 0.786 -5.728 2.662 146 HD21 LEU 16 3HD2 LEU 16 -0.604 -7.419 6.354 147 HD22 LEU 16 1HD2 LEU 16 -1.812 -6.984 5.141 148 HD23 LEU 16 2HD2 LEU 16 -0.908 -5.725 5.986 149 H SER 17 H SER 17 2.775 -10.588 4.137 150 HA SER 17 HA SER 17 1.852 -13.181 3.821 151 HB2 SER 17 2HB SER 17 0.427 -12.309 1.976 152 HB3 SER 17 1HB SER 17 1.853 -11.668 1.159 153 HG SER 17 HG SER 17 1.046 -14.335 1.549 154 H GLU 18 H GLU 18 3.412 -14.512 2.693 155 HA GLU 18 HA GLU 18 6.167 -13.421 2.527 156 HB2 GLU 18 2HB GLU 18 5.892 -14.167 4.849 157 HB3 GLU 18 1HB GLU 18 5.285 -15.735 4.323 158 HG2 GLU 18 2HG GLU 18 7.480 -16.254 3.324 159 HG3 GLU 18 1HG GLU 18 8.089 -14.680 3.831 160 H ASN 19 H ASN 19 7.505 -14.510 1.076 161 HA ASN 19 HA ASN 19 5.912 -16.015 -0.931 162 HB2 ASN 19 2HB ASN 19 7.389 -13.950 -1.428 163 HB3 ASN 19 1HB ASN 19 8.775 -15.005 -1.243 164 HD21 ASN 19 1HD2 ASN 19 7.986 -13.446 -3.494 165 HD22 ASN 19 2HD2 ASN 19 7.795 -14.527 -4.824 166 H ALA 20 H ALA 20 6.836 -17.935 -2.021 167 HA ALA 20 HA ALA 20 8.085 -19.927 -0.447 168 HB1 ALA 20 3HB ALA 20 8.002 -19.665 -3.475 169 HB2 ALA 20 1HB ALA 20 6.773 -20.432 -2.475 170 HB3 ALA 20 2HB ALA 20 8.384 -21.145 -2.588 171 H LYS 21 H LYS 21 9.353 -17.361 -2.445 172 HA LYS 21 HA LYS 21 12.167 -18.145 -2.220 173 HB2 LYS 21 2HB LYS 21 11.076 -15.461 -3.179 174 HB3 LYS 21 1HB LYS 21 12.653 -16.161 -3.517 175 HG2 LYS 21 2HG LYS 21 9.984 -17.104 -4.584 176 HG3 LYS 21 1HG LYS 21 11.259 -16.296 -5.495 177 HD2 LYS 21 2HD LYS 21 12.729 -18.246 -5.215 178 HD3 LYS 21 1HD LYS 21 11.518 -19.044 -4.208 179 HE2 LYS 21 2HE LYS 21 9.954 -19.035 -6.163 180 HE3 LYS 21 1HE LYS 21 11.246 -18.350 -7.154 181 HZ1 LYS 21 3HZ LYS 21 11.373 -20.971 -5.754 182 HZ2 LYS 21 1HZ LYS 21 12.557 -20.328 -6.779 183 HZ3 LYS 21 2HZ LYS 21 11.043 -20.760 -7.396 184 H GLY 22 H GLY 22 9.885 -16.624 -0.301 185 HA2 GLY 22 2HA GLY 22 10.320 -16.295 2.037 186 HA3 GLY 22 1HA GLY 22 11.856 -15.541 1.619 187 H TRP 23 H TRP 23 10.551 -14.162 -0.690 188 HA TRP 23 HA TRP 23 10.602 -11.635 0.306 189 HB2 TRP 23 2HB TRP 23 9.256 -12.722 -2.179 190 HB3 TRP 23 1HB TRP 23 9.237 -11.002 -1.821 191 HD1 TRP 23 HD1 TRP 23 12.008 -13.741 -2.046 192 HE1 TRP 23 HE1 TRP 23 13.974 -12.742 -3.326 193 HE3 TRP 23 HE3 TRP 23 10.169 -9.007 -2.803 194 HZ2 TRP 23 HZ2 TRP 23 14.693 -10.254 -4.501 195 HZ3 TRP 23 HZ3 TRP 23 11.562 -7.379 -4.026 196 HH2 TRP 23 HH2 TRP 23 13.782 -7.996 -4.855 197 H ARG 24 H ARG 24 9.363 -10.516 1.680 198 HA ARG 24 HA ARG 24 6.644 -11.461 2.307 199 HB2 ARG 24 2HB ARG 24 8.368 -9.484 3.861 200 HB3 ARG 24 1HB ARG 24 6.941 -10.344 4.431 201 HG2 ARG 24 2HG ARG 24 8.155 -12.438 4.502 202 HG3 ARG 24 1HG ARG 24 9.547 -11.704 3.701 203 HD2 ARG 24 2HD ARG 24 9.780 -10.157 5.684 204 HD3 ARG 24 1HD ARG 24 8.513 -11.093 6.487 205 HE ARG 24 HE ARG 24 10.548 -12.837 5.619 206 HH11 ARG 24 1HH1 ARG 24 10.021 -10.363 8.073 207 HH12 ARG 24 2HH1 ARG 24 11.186 -11.037 9.169 208 HH21 ARG 24 1HH2 ARG 24 12.068 -13.716 7.065 209 HH22 ARG 24 2HH2 ARG 24 12.344 -12.941 8.594 210 H LYS 25 H LYS 25 4.998 -10.262 1.311 211 HA LYS 25 HA LYS 25 5.490 -7.429 0.740 212 HB2 LYS 25 2HB LYS 25 3.172 -7.293 -0.095 213 HB3 LYS 25 1HB LYS 25 4.125 -8.511 -0.925 214 HG2 LYS 25 2HG LYS 25 2.946 -10.288 0.275 215 HG3 LYS 25 1HG LYS 25 2.046 -9.080 1.201 216 HD2 LYS 25 2HD LYS 25 0.730 -10.034 -0.715 217 HD3 LYS 25 1HD LYS 25 0.914 -8.281 -0.795 218 HE2 LYS 25 2HE LYS 25 1.213 -9.335 -3.002 219 HE3 LYS 25 1HE LYS 25 2.688 -8.526 -2.473 220 HZ1 LYS 25 3HZ LYS 25 3.203 -10.665 -3.410 221 HZ2 LYS 25 1HZ LYS 25 2.136 -11.440 -2.355 222 HZ3 LYS 25 2HZ LYS 25 3.527 -10.702 -1.755 223 H GLU 26 H GLU 26 5.523 -6.136 2.342 224 HA GLU 26 HA GLU 26 3.664 -6.428 4.611 225 HB2 GLU 26 2HB GLU 26 5.606 -5.977 6.140 226 HB3 GLU 26 1HB GLU 26 5.723 -7.503 5.277 227 HG2 GLU 26 2HG GLU 26 7.331 -6.480 3.685 228 HG3 GLU 26 1HG GLU 26 7.220 -4.963 4.574 229 H LEU 27 H LEU 27 3.407 -4.625 5.871 230 HA LEU 27 HA LEU 27 3.849 -1.976 4.682 231 HB2 LEU 27 2HB LEU 27 1.525 -2.566 5.264 232 HB3 LEU 27 1HB LEU 27 2.017 -3.007 6.889 233 HG LEU 27 HG LEU 27 2.634 -0.582 7.284 234 HD11 LEU 27 1HD1 LEU 27 1.190 -0.080 4.663 235 HD12 LEU 27 2HD1 LEU 27 2.900 0.203 4.991 236 HD13 LEU 27 3HD1 LEU 27 1.679 1.155 5.827 237 HD21 LEU 27 3HD2 LEU 27 0.359 0.109 7.744 238 HD22 LEU 27 1HD2 LEU 27 0.546 -1.604 8.109 239 HD23 LEU 27 2HD2 LEU 27 -0.277 -1.100 6.629 240 H ASN 28 H ASN 28 5.612 -0.962 5.451 241 HA ASN 28 HA ASN 28 6.276 -0.956 8.292 242 HB2 ASN 28 2HB ASN 28 8.672 -1.552 7.853 243 HB3 ASN 28 1HB ASN 28 7.565 -2.880 7.527 244 HD21 ASN 28 1HD2 ASN 28 7.081 -3.362 5.314 245 HD22 ASN 28 2HD2 ASN 28 8.215 -2.994 4.078 246 H ARG 29 H ARG 29 8.034 0.604 8.740 247 HA ARG 29 HA ARG 29 7.585 3.076 7.219 248 HB2 ARG 29 2HB ARG 29 8.557 2.607 10.082 249 HB3 ARG 29 1HB ARG 29 8.451 4.192 9.316 250 HG2 ARG 29 2HG ARG 29 6.039 4.007 9.121 251 HG3 ARG 29 1HG ARG 29 6.081 2.346 9.724 252 HD2 ARG 29 2HD ARG 29 5.351 3.937 11.453 253 HD3 ARG 29 1HD ARG 29 6.852 3.125 11.907 254 HE ARG 29 HE ARG 29 6.970 5.801 10.675 255 HH11 ARG 29 1HH1 ARG 29 7.414 3.816 13.537 256 HH12 ARG 29 2HH1 ARG 29 8.301 5.035 14.395 257 HH21 ARG 29 1HH2 ARG 29 8.114 7.412 11.824 258 HH22 ARG 29 2HH2 ARG 29 8.695 7.076 13.421 259 H VAL 30 H VAL 30 9.175 3.754 5.990 260 HA VAL 30 HA VAL 30 11.954 2.759 6.315 261 HB VAL 30 HB VAL 30 10.516 3.365 3.670 262 HG11 VAL 30 1HG1 VAL 30 13.245 2.090 4.130 263 HG12 VAL 30 2HG1 VAL 30 12.948 3.715 3.509 264 HG13 VAL 30 3HG1 VAL 30 12.456 2.312 2.562 265 HG21 VAL 30 3HG2 VAL 30 11.150 0.642 4.867 266 HG22 VAL 30 1HG2 VAL 30 10.472 0.934 3.261 267 HG23 VAL 30 2HG2 VAL 30 9.547 1.358 4.700 268 H SER 31 H SER 31 13.605 4.281 5.790 269 HA SER 31 HA SER 31 12.815 7.097 5.345 270 HB2 SER 31 2HB SER 31 13.894 6.850 7.538 271 HB3 SER 31 1HB SER 31 15.249 5.985 6.810 272 HG SER 31 HG SER 31 15.200 8.491 7.237 273 H TRP 32 H TRP 32 13.625 8.015 3.584 274 HA TRP 32 HA TRP 32 15.480 6.526 1.841 275 HB2 TRP 32 2HB TRP 32 13.448 8.719 1.212 276 HB3 TRP 32 1HB TRP 32 14.565 8.037 0.031 277 HD1 TRP 32 HD1 TRP 32 11.248 7.288 1.763 278 HE1 TRP 32 HE1 TRP 32 10.260 5.130 0.751 279 HE3 TRP 32 HE3 TRP 32 15.302 5.694 -0.949 280 HZ2 TRP 32 HZ2 TRP 32 11.092 3.029 -0.906 281 HZ3 TRP 32 HZ3 TRP 32 15.119 3.590 -2.217 282 HH2 TRP 32 HH2 TRP 32 13.050 2.282 -2.193 283 H ASN 33 H ASN 33 17.496 7.132 2.045 284 HA ASN 33 HA ASN 33 19.415 8.282 2.361 285 HB2 ASN 33 2HB ASN 33 17.723 10.259 0.793 286 HB3 ASN 33 1HB ASN 33 19.320 10.762 1.351 287 HD21 ASN 33 1HD2 ASN 33 18.201 10.261 -1.368 288 HD22 ASN 33 2HD2 ASN 33 19.338 9.191 -2.105 289 H ASP 34 H ASP 34 18.022 8.056 4.644 290 HA ASP 34 HA ASP 34 17.710 8.778 6.761 291 HB2 ASP 34 2HB ASP 34 20.038 10.574 5.997 292 HB3 ASP 34 1HB ASP 34 19.433 10.429 7.646 293 H ALA 35 H ALA 35 15.965 10.009 4.844 294 HA ALA 35 HA ALA 35 15.490 12.744 5.725 295 HB1 ALA 35 3HB ALA 35 13.489 12.610 4.276 296 HB2 ALA 35 1HB ALA 35 13.773 10.883 4.029 297 HB3 ALA 35 2HB ALA 35 14.932 12.065 3.422 298 H GLU 36 H GLU 36 13.175 13.233 6.486 299 HA GLU 36 HA GLU 36 12.463 11.978 8.899 300 HB2 GLU 36 2HB GLU 36 10.761 13.636 6.989 301 HB3 GLU 36 1HB GLU 36 10.244 13.181 8.611 302 HG2 GLU 36 2HG GLU 36 12.066 14.467 9.600 303 HG3 GLU 36 1HG GLU 36 12.711 14.838 8.002 304 HA PRO 37 HA PRO 37 11.201 8.128 6.890 305 HB2 PRO 37 2HB PRO 37 10.371 6.765 9.176 306 HB3 PRO 37 1HB PRO 37 12.064 6.942 8.681 307 HG2 PRO 37 2HG PRO 37 10.523 8.524 10.701 308 HG3 PRO 37 1HG PRO 37 12.184 7.892 10.789 309 HD2 PRO 37 2HD PRO 37 11.707 10.481 10.213 310 HD3 PRO 37 1HD PRO 37 13.058 9.601 9.466 311 H LYS 38 H LYS 38 9.334 6.990 6.326 312 HA LYS 38 HA LYS 38 6.739 7.895 7.306 313 HB2 LYS 38 2HB LYS 38 5.854 8.318 5.035 314 HB3 LYS 38 1HB LYS 38 7.101 9.475 5.481 315 HG2 LYS 38 2HG LYS 38 8.700 8.445 3.998 316 HG3 LYS 38 1HG LYS 38 7.625 7.067 3.712 317 HD2 LYS 38 2HD LYS 38 7.596 8.683 1.815 318 HD3 LYS 38 1HD LYS 38 6.008 8.501 2.564 319 HE2 LYS 38 2HE LYS 38 6.497 10.608 3.884 320 HE3 LYS 38 1HE LYS 38 7.946 10.815 2.900 321 HZ1 LYS 38 3HZ LYS 38 5.144 10.741 1.925 322 HZ2 LYS 38 1HZ LYS 38 6.504 10.847 0.929 323 HZ3 LYS 38 2HZ LYS 38 6.143 12.097 2.003 324 H TYR 39 H TYR 39 5.032 6.653 5.907 325 HA TYR 39 HA TYR 39 5.569 3.881 6.469 326 HB2 TYR 39 2HB TYR 39 3.069 5.211 5.324 327 HB3 TYR 39 1HB TYR 39 3.165 3.597 6.035 328 HD1 TYR 39 HD2 TYR 39 3.524 3.353 8.497 329 HD2 TYR 39 HD1 TYR 39 2.962 7.199 6.750 330 HE1 TYR 39 HE2 TYR 39 3.092 4.296 10.723 331 HE2 TYR 39 HE1 TYR 39 2.547 8.139 8.976 332 HH TYR 39 HH TYR 39 1.761 7.355 11.195 333 H ASP 40 H ASP 40 5.545 2.268 5.013 334 HA ASP 40 HA ASP 40 5.212 2.736 2.125 335 HB2 ASP 40 2HB ASP 40 7.612 2.998 2.445 336 HB3 ASP 40 1HB ASP 40 7.709 1.552 3.434 337 H ILE 41 H ILE 41 4.662 0.906 0.979 338 HA ILE 41 HA ILE 41 4.292 -1.642 2.377 339 HB ILE 41 HB ILE 41 2.116 -0.624 2.740 340 HG12 ILE 41 2HG1 ILE 41 1.945 -2.694 0.505 341 HG13 ILE 41 1HG1 ILE 41 2.125 -3.046 2.219 342 HG21 ILE 41 1HG2 ILE 41 0.622 0.168 0.954 343 HG22 ILE 41 2HG2 ILE 41 1.881 -0.132 -0.243 344 HG23 ILE 41 3HG2 ILE 41 2.122 1.102 0.992 345 HD11 ILE 41 3HD1 ILE 41 -0.140 -3.430 1.514 346 HD12 ILE 41 1HD1 ILE 41 -0.273 -1.787 0.884 347 HD13 ILE 41 2HD1 ILE 41 -0.103 -2.059 2.622 348 H ARG 42 H ARG 42 5.043 -3.148 1.179 349 HA ARG 42 HA ARG 42 4.983 -3.383 -1.668 350 HB2 ARG 42 2HB ARG 42 7.168 -2.800 -2.393 351 HB3 ARG 42 1HB ARG 42 6.691 -1.448 -1.374 352 HG2 ARG 42 2HG ARG 42 8.071 -2.294 0.454 353 HG3 ARG 42 1HG ARG 42 8.483 -3.732 -0.487 354 HD2 ARG 42 2HD ARG 42 10.315 -2.138 -0.559 355 HD3 ARG 42 1HD ARG 42 9.601 -2.291 -2.170 356 HE ARG 42 HE ARG 42 8.468 -0.160 -0.631 357 HH11 ARG 42 1HH1 ARG 42 11.206 -0.915 -2.739 358 HH12 ARG 42 2HH1 ARG 42 11.466 0.744 -3.160 359 HH21 ARG 42 1HH2 ARG 42 8.860 1.955 -1.135 360 HH22 ARG 42 2HH2 ARG 42 10.131 2.376 -2.250 361 H THR 43 H THR 43 6.997 -5.039 -2.325 362 HA THR 43 HA THR 43 6.994 -7.121 -0.250 363 HB THR 43 HB THR 43 7.622 -7.427 -3.229 364 HG1 THR 43 HG1 THR 43 5.221 -7.299 -1.850 365 HG21 THR 43 3HG2 THR 43 7.214 -9.830 -2.779 366 HG22 THR 43 1HG2 THR 43 6.961 -9.468 -1.068 367 HG23 THR 43 2HG2 THR 43 8.549 -9.221 -1.799 368 H TRP 44 H TRP 44 8.842 -7.467 0.760 369 HA TRP 44 HA TRP 44 11.440 -6.423 -0.229 370 HB2 TRP 44 2HB TRP 44 10.431 -6.913 2.621 371 HB3 TRP 44 1HB TRP 44 12.103 -6.529 2.234 372 HD1 TRP 44 HD1 TRP 44 8.639 -4.869 2.529 373 HE1 TRP 44 HE1 TRP 44 9.006 -2.308 2.672 374 HE3 TRP 44 HE3 TRP 44 13.628 -4.662 1.426 375 HZ2 TRP 44 HZ2 TRP 44 11.068 -0.472 2.279 376 HZ3 TRP 44 HZ3 TRP 44 14.722 -2.463 1.337 377 HH2 TRP 44 HH2 TRP 44 13.470 -0.403 1.756 378 H SER 45 H SER 45 13.297 -7.833 0.365 379 HA SER 45 HA SER 45 12.856 -10.653 0.119 380 HB2 SER 45 2HB SER 45 15.324 -10.818 0.597 381 HB3 SER 45 1HB SER 45 14.949 -9.660 -0.670 382 HG SER 45 HG SER 45 16.494 -9.044 1.065 383 HA PRO 46 HA PRO 46 12.494 -12.032 4.495 384 HB2 PRO 46 2HB PRO 46 14.675 -13.862 4.617 385 HB3 PRO 46 1HB PRO 46 13.014 -14.251 4.151 386 HG2 PRO 46 2HG PRO 46 15.368 -13.695 2.402 387 HG3 PRO 46 1HG PRO 46 14.036 -14.853 2.177 388 HD2 PRO 46 2HD PRO 46 14.098 -12.565 0.788 389 HD3 PRO 46 1HD PRO 46 12.558 -13.213 1.395 390 H ASP 47 H ASP 47 15.667 -11.152 3.209 391 HA ASP 47 HA ASP 47 16.809 -10.445 5.803 392 HB2 ASP 47 2HB ASP 47 17.934 -10.220 2.966 393 HB3 ASP 47 1HB ASP 47 18.840 -9.874 4.439 394 H HIS 48 H HIS 48 14.800 -8.834 3.576 395 HA HIS 48 HA HIS 48 14.072 -6.729 3.304 396 HB2 HIS 48 2HB HIS 48 15.513 -6.236 5.940 397 HB3 HIS 48 1HB HIS 48 14.496 -5.035 5.154 398 HD1 HIS 48 HD1 HIS 48 14.000 -6.391 8.002 399 HD2 HIS 48 HD2 HIS 48 12.024 -7.271 4.456 400 HE1 HIS 48 HE1 HIS 48 11.768 -7.309 8.689 401 HE2 HIS 48 HE2 HIS 48 10.518 -7.536 6.527 402 H GLU 49 H GLU 49 16.803 -7.551 2.309 403 HA GLU 49 HA GLU 49 18.277 -5.009 2.064 404 HB2 GLU 49 2HB GLU 49 20.043 -6.397 1.018 405 HB3 GLU 49 1HB GLU 49 19.583 -7.033 2.593 406 HG2 GLU 49 2HG GLU 49 18.232 -8.787 1.522 407 HG3 GLU 49 1HG GLU 49 18.601 -8.124 -0.066 408 H LYS 50 H LYS 50 16.016 -6.898 0.389 409 HA LYS 50 HA LYS 50 16.505 -5.562 -2.209 410 HB2 LYS 50 2HB LYS 50 15.374 -8.345 -1.687 411 HB3 LYS 50 1HB LYS 50 15.435 -7.586 -3.259 412 HG2 LYS 50 2HG LYS 50 18.060 -7.828 -1.859 413 HG3 LYS 50 1HG LYS 50 17.299 -9.345 -2.328 414 HD2 LYS 50 2HD LYS 50 18.852 -8.579 -4.063 415 HD3 LYS 50 1HD LYS 50 17.199 -8.609 -4.667 416 HE2 LYS 50 2HE LYS 50 18.409 -6.624 -5.456 417 HE3 LYS 50 1HE LYS 50 17.050 -6.170 -4.432 418 HZ1 LYS 50 3HZ LYS 50 19.898 -6.283 -3.577 419 HZ2 LYS 50 1HZ LYS 50 18.597 -5.832 -2.597 420 HZ3 LYS 50 2HZ LYS 50 19.029 -4.878 -3.921 421 H MET 51 H MET 51 14.617 -4.892 -3.308 422 HA MET 51 HA MET 51 12.087 -4.835 -1.796 423 HB2 MET 51 2HB MET 51 11.916 -2.370 -2.107 424 HB3 MET 51 1HB MET 51 13.254 -2.821 -1.066 425 HG2 MET 51 2HG MET 51 14.832 -2.435 -2.915 426 HG3 MET 51 1HG MET 51 13.486 -2.000 -3.973 427 HE1 MET 51 3HE MET 51 15.255 1.453 -3.355 428 HE2 MET 51 1HE MET 51 14.689 0.306 -4.571 429 HE3 MET 51 2HE MET 51 16.039 -0.119 -3.517 430 H GLY 52 H GLY 52 10.298 -3.909 -3.117 431 HA2 GLY 52 2HA GLY 52 10.629 -3.870 -6.024 432 HA3 GLY 52 1HA GLY 52 9.695 -5.206 -5.357 433 H LYS 53 H LYS 53 7.886 -4.489 -6.508 434 HA LYS 53 HA LYS 53 6.937 -1.903 -6.802 435 HB2 LYS 53 2HB LYS 53 5.336 -4.503 -6.887 436 HB3 LYS 53 1HB LYS 53 4.776 -2.962 -7.521 437 HG2 LYS 53 2HG LYS 53 7.232 -4.429 -8.520 438 HG3 LYS 53 1HG LYS 53 5.637 -4.523 -9.270 439 HD2 LYS 53 2HD LYS 53 5.700 -2.123 -9.786 440 HD3 LYS 53 1HD LYS 53 7.241 -1.953 -8.937 441 HE2 LYS 53 2HE LYS 53 7.539 -2.040 -11.388 442 HE3 LYS 53 1HE LYS 53 8.337 -3.395 -10.590 443 HZ1 LYS 53 3HZ LYS 53 7.135 -4.057 -12.585 444 HZ2 LYS 53 1HZ LYS 53 5.685 -3.512 -11.914 445 HZ3 LYS 53 2HZ LYS 53 6.508 -4.809 -11.213 446 H GLY 54 H GLY 54 5.993 -0.496 -5.439 447 HA2 GLY 54 2HA GLY 54 3.844 -1.047 -3.760 448 HA3 GLY 54 1HA GLY 54 5.305 -1.068 -2.777 449 H ILE 55 H ILE 55 3.861 0.791 -1.872 450 HA ILE 55 HA ILE 55 4.548 3.339 -3.212 451 HB ILE 55 HB ILE 55 2.250 2.938 -3.939 452 HG12 ILE 55 2HG1 ILE 55 2.410 5.044 -1.732 453 HG13 ILE 55 1HG1 ILE 55 2.776 5.277 -3.433 454 HG21 ILE 55 1HG2 ILE 55 0.356 2.593 -2.405 455 HG22 ILE 55 2HG2 ILE 55 1.458 2.592 -1.028 456 HG23 ILE 55 3HG2 ILE 55 1.553 1.305 -2.229 457 HD11 ILE 55 3HD1 ILE 55 0.058 4.748 -2.248 458 HD12 ILE 55 1HD1 ILE 55 0.408 4.948 -3.965 459 HD13 ILE 55 2HD1 ILE 55 0.671 6.288 -2.851 460 H THR 56 H THR 56 4.860 5.027 -1.853 461 HA THR 56 HA THR 56 5.141 4.507 1.034 462 HB THR 56 HB THR 56 6.424 6.712 1.023 463 HG1 THR 56 HG1 THR 56 5.726 6.573 -1.680 464 HG21 THR 56 3HG2 THR 56 8.485 5.785 0.047 465 HG22 THR 56 1HG2 THR 56 7.552 4.514 -0.746 466 HG23 THR 56 2HG2 THR 56 7.639 4.580 1.019 467 H LEU 57 H LEU 57 4.054 5.738 2.519 468 HA LEU 57 HA LEU 57 2.029 7.700 1.643 469 HB2 LEU 57 2HB LEU 57 1.743 5.583 3.835 470 HB3 LEU 57 1HB LEU 57 0.536 6.787 3.415 471 HG LEU 57 HG LEU 57 1.432 4.488 1.633 472 HD11 LEU 57 1HD1 LEU 57 0.115 3.687 3.537 473 HD12 LEU 57 2HD1 LEU 57 -0.807 3.541 2.042 474 HD13 LEU 57 3HD1 LEU 57 -1.168 4.850 3.171 475 HD21 LEU 57 3HD2 LEU 57 -0.410 5.161 0.130 476 HD22 LEU 57 1HD2 LEU 57 0.809 6.426 0.280 477 HD23 LEU 57 2HD2 LEU 57 -0.723 6.574 1.144 478 H SER 58 H SER 58 1.992 9.538 2.949 479 HA SER 58 HA SER 58 4.015 9.827 5.063 480 HB2 SER 58 2HB SER 58 1.961 11.875 4.098 481 HB3 SER 58 1HB SER 58 3.416 12.191 5.043 482 HG SER 58 HG SER 58 3.099 11.918 2.350 483 H GLU 59 H GLU 59 3.091 11.022 7.154 484 HA GLU 59 HA GLU 59 1.351 9.313 8.486 485 HB2 GLU 59 2HB GLU 59 2.057 12.191 9.176 486 HB3 GLU 59 1HB GLU 59 1.226 11.078 10.258 487 HG2 GLU 59 2HG GLU 59 3.211 9.554 10.139 488 HG3 GLU 59 1HG GLU 59 4.042 10.785 9.189 489 H GLU 60 H GLU 60 0.605 12.303 6.766 490 HA GLU 60 HA GLU 60 -2.102 12.628 7.446 491 HB2 GLU 60 2HB GLU 60 -0.661 13.344 4.846 492 HB3 GLU 60 1HB GLU 60 -2.244 13.963 5.318 493 HG2 GLU 60 2HG GLU 60 -1.291 15.128 7.215 494 HG3 GLU 60 1HG GLU 60 0.292 14.408 6.918 495 H GLU 61 H GLU 61 -0.704 11.048 4.538 496 HA GLU 61 HA GLU 61 -3.005 10.033 3.370 497 HB2 GLU 61 2HB GLU 61 -0.163 8.917 3.355 498 HB3 GLU 61 1HB GLU 61 -1.463 8.170 2.434 499 HG2 GLU 61 2HG GLU 61 -0.496 9.470 0.811 500 HG3 GLU 61 1HG GLU 61 -1.748 10.558 1.391 501 H PHE 62 H PHE 62 -0.776 8.298 5.525 502 HA PHE 62 HA PHE 62 -2.178 5.877 5.605 503 HB2 PHE 62 2HB PHE 62 0.254 6.173 6.095 504 HB3 PHE 62 1HB PHE 62 -0.153 6.995 7.597 505 HD1 PHE 62 HD2 PHE 62 -0.698 3.750 5.792 506 HD2 PHE 62 HD1 PHE 62 -0.300 5.713 9.569 507 HE1 PHE 62 HE2 PHE 62 -0.685 1.577 6.930 508 HE2 PHE 62 HE1 PHE 62 -0.291 3.532 10.700 509 HZ PHE 62 HZ PHE 62 -0.472 1.463 9.382 510 H GLY 63 H GLY 63 -2.252 8.730 7.735 511 HA2 GLY 63 2HA GLY 63 -3.855 7.759 9.806 512 HA3 GLY 63 1HA GLY 63 -3.742 9.437 9.297 513 H VAL 64 H VAL 64 -4.868 9.538 6.844 514 HA VAL 64 HA VAL 64 -7.654 9.368 7.241 515 HB VAL 64 HB VAL 64 -6.096 9.539 4.624 516 HG11 VAL 64 1HG1 VAL 64 -8.370 8.732 4.157 517 HG12 VAL 64 2HG1 VAL 64 -8.167 10.381 3.571 518 HG13 VAL 64 3HG1 VAL 64 -9.056 10.085 5.067 519 HG21 VAL 64 3HG2 VAL 64 -5.665 11.426 6.160 520 HG22 VAL 64 1HG2 VAL 64 -7.398 11.749 6.267 521 HG23 VAL 64 2HG2 VAL 64 -6.549 11.964 4.733 522 H LEU 65 H LEU 65 -5.335 7.077 5.787 523 HA LEU 65 HA LEU 65 -7.106 5.197 4.679 524 HB2 LEU 65 2HB LEU 65 -4.580 5.370 4.342 525 HB3 LEU 65 1HB LEU 65 -4.382 4.672 5.936 526 HG LEU 65 HG LEU 65 -5.659 2.608 5.037 527 HD11 LEU 65 1HD1 LEU 65 -6.663 3.645 3.057 528 HD12 LEU 65 2HD1 LEU 65 -5.664 2.265 2.618 529 HD13 LEU 65 3HD1 LEU 65 -5.061 3.904 2.358 530 HD21 LEU 65 3HD2 LEU 65 -3.634 1.663 4.012 531 HD22 LEU 65 1HD2 LEU 65 -3.228 2.622 5.436 532 HD23 LEU 65 2HD2 LEU 65 -2.952 3.280 3.821 533 H LEU 66 H LEU 66 -5.468 5.270 7.897 534 HA LEU 66 HA LEU 66 -6.488 3.000 9.094 535 HB2 LEU 66 2HB LEU 66 -5.735 5.680 10.331 536 HB3 LEU 66 1HB LEU 66 -6.071 4.250 11.274 537 HG LEU 66 HG LEU 66 -3.756 4.605 9.349 538 HD11 LEU 66 1HD1 LEU 66 -2.338 4.476 11.350 539 HD12 LEU 66 2HD1 LEU 66 -3.770 4.370 12.378 540 HD13 LEU 66 3HD1 LEU 66 -3.457 5.835 11.444 541 HD21 LEU 66 3HD2 LEU 66 -4.516 2.303 9.246 542 HD22 LEU 66 1HD2 LEU 66 -4.506 2.178 11.008 543 HD23 LEU 66 2HD2 LEU 66 -2.993 2.386 10.121 544 H LYS 67 H LYS 67 -7.805 6.291 9.109 545 HA LYS 67 HA LYS 67 -9.982 5.931 10.860 546 HB2 LYS 67 2HB LYS 67 -9.541 7.873 8.555 547 HB3 LYS 67 1HB LYS 67 -10.894 7.999 9.678 548 HG2 LYS 67 2HG LYS 67 -9.483 8.512 11.516 549 HG3 LYS 67 1HG LYS 67 -8.035 7.976 10.660 550 HD2 LYS 67 2HD LYS 67 -8.277 10.491 10.882 551 HD3 LYS 67 1HD LYS 67 -8.050 9.908 9.233 552 HE2 LYS 67 2HE LYS 67 -10.431 10.167 8.774 553 HE3 LYS 67 1HE LYS 67 -10.736 10.636 10.451 554 HZ1 LYS 67 3HZ LYS 67 -10.626 12.540 8.962 555 HZ2 LYS 67 1HZ LYS 67 -9.047 12.145 8.525 556 HZ3 LYS 67 2HZ LYS 67 -9.395 12.606 10.112 557 H GLU 68 H GLU 68 -9.908 5.924 7.313 558 HA GLU 68 HA GLU 68 -12.663 5.318 6.990 559 HB2 GLU 68 2HB GLU 68 -10.362 5.101 5.017 560 HB3 GLU 68 1HB GLU 68 -12.069 5.032 4.595 561 HG2 GLU 68 2HG GLU 68 -10.634 7.400 5.822 562 HG3 GLU 68 1HG GLU 68 -11.142 7.247 4.142 563 H LEU 69 H LEU 69 -9.779 3.277 7.203 564 HA LEU 69 HA LEU 69 -11.089 0.820 6.474 565 HB2 LEU 69 2HB LEU 69 -8.486 1.300 7.993 566 HB3 LEU 69 1HB LEU 69 -9.065 -0.291 7.521 567 HG LEU 69 HG LEU 69 -8.258 1.938 5.610 568 HD11 LEU 69 1HD1 LEU 69 -6.880 -0.697 6.216 569 HD12 LEU 69 2HD1 LEU 69 -6.330 0.905 6.711 570 HD13 LEU 69 3HD1 LEU 69 -6.380 0.485 5.002 571 HD21 LEU 69 3HD2 LEU 69 -9.169 -0.876 4.956 572 HD22 LEU 69 1HD2 LEU 69 -8.565 0.326 3.809 573 HD23 LEU 69 2HD2 LEU 69 -10.083 0.609 4.659 574 H GLY 70 H GLY 70 -10.339 2.445 9.545 575 HA2 GLY 70 2HA GLY 70 -11.396 0.695 11.423 576 HA3 GLY 70 1HA GLY 70 -11.430 2.443 11.572 577 H ASN 71 H ASN 71 -13.058 2.930 9.291 578 HA ASN 71 HA ASN 71 -15.756 2.397 10.231 579 HB2 ASN 71 2HB ASN 71 -14.786 3.501 7.546 580 HB3 ASN 71 1HB ASN 71 -16.464 3.498 8.091 581 HD21 ASN 71 1HD2 ASN 71 -14.494 5.693 7.455 582 HD22 ASN 71 2HD2 ASN 71 -14.567 6.738 8.827 583 H LYS 72 H LYS 72 -13.885 1.345 7.416 584 HA LYS 72 HA LYS 72 -15.575 -0.662 6.435 585 HB2 LYS 72 2HB LYS 72 -12.554 -0.454 6.132 586 HB3 LYS 72 1HB LYS 72 -13.577 -1.541 5.192 587 HG2 LYS 72 2HG LYS 72 -14.824 0.456 4.340 588 HG3 LYS 72 1HG LYS 72 -13.665 1.485 5.172 589 HD2 LYS 72 2HD LYS 72 -11.835 0.514 3.793 590 HD3 LYS 72 1HD LYS 72 -13.024 -0.484 2.948 591 HE2 LYS 72 2HE LYS 72 -12.821 2.543 2.919 592 HE3 LYS 72 1HE LYS 72 -12.537 1.444 1.573 593 HZ1 LYS 72 3HZ LYS 72 -14.919 0.801 1.743 594 HZ2 LYS 72 1HZ LYS 72 -14.676 2.417 1.316 595 HZ3 LYS 72 2HZ LYS 72 -15.132 2.019 2.888 596 H LEU 73 H LEU 73 -14.046 -0.893 9.463 597 HA LEU 73 HA LEU 73 -13.798 -3.798 9.397 598 HB2 LEU 73 2HB LEU 73 -13.693 -1.965 11.826 599 HB3 LEU 73 1HB LEU 73 -13.287 -3.675 11.800 600 HG LEU 73 HG LEU 73 -11.739 -1.369 10.595 601 HD11 LEU 73 1HD1 LEU 73 -11.244 -1.861 12.938 602 HD12 LEU 73 2HD1 LEU 73 -9.866 -2.227 11.899 603 HD13 LEU 73 3HD1 LEU 73 -10.872 -3.539 12.518 604 HD21 LEU 73 3HD2 LEU 73 -11.788 -3.050 8.855 605 HD22 LEU 73 1HD2 LEU 73 -11.284 -4.299 9.998 606 HD23 LEU 73 2HD2 LEU 73 -10.186 -2.981 9.580 607 H GLU 74 H GLU 74 -16.352 -1.883 9.238 608 HA GLU 74 HA GLU 74 -18.185 -3.694 10.688 609 HB2 GLU 74 2HB GLU 74 -18.763 -1.024 9.304 610 HB3 GLU 74 1HB GLU 74 -19.924 -1.994 10.205 611 HG2 GLU 74 2HG GLU 74 -18.650 -1.623 12.276 612 HG3 GLU 74 1HG GLU 74 -17.466 -0.677 11.373 613 H HIS 75 H HIS 75 -16.600 -3.671 7.867 614 HA HIS 75 HA HIS 75 -17.701 -3.903 5.581 615 HB2 HIS 75 2HB HIS 75 -15.514 -4.893 6.098 616 HB3 HIS 75 1HB HIS 75 -16.291 -6.276 6.856 617 HD1 HIS 75 HD1 HIS 75 -15.481 -4.796 3.504 618 HD2 HIS 75 HD2 HIS 75 -17.145 -8.278 5.062 619 HE1 HIS 75 HE1 HIS 75 -15.549 -6.429 1.589 620 HE2 HIS 75 HE2 HIS 75 -16.370 -8.571 2.616 621 H HIS 76 H HIS 76 -18.372 -6.595 7.813 622 HA HIS 76 HA HIS 76 -21.150 -6.609 7.533 623 HB2 HIS 76 2HB HIS 76 -19.827 -8.098 5.367 624 HB3 HIS 76 1HB HIS 76 -20.734 -9.226 6.365 625 HD1 HIS 76 HD1 HIS 76 -22.400 -9.634 4.431 626 HD2 HIS 76 HD2 HIS 76 -22.292 -5.687 5.725 627 HE1 HIS 76 HE1 HIS 76 -24.397 -8.529 3.382 628 HE2 HIS 76 HE2 HIS 76 -24.375 -6.182 4.292 629 H HIS 77 H HIS 77 -22.067 -8.757 8.461 630 HA HIS 77 HA HIS 77 -20.969 -9.260 11.004 631 HB2 HIS 77 2HB HIS 77 -23.355 -9.600 10.516 632 HB3 HIS 77 1HB HIS 77 -22.975 -10.869 9.362 633 HD1 HIS 77 HD1 HIS 77 -23.288 -13.150 10.270 634 HD2 HIS 77 HD2 HIS 77 -22.391 -10.432 13.284 635 HE1 HIS 77 HE1 HIS 77 -23.444 -14.444 12.421 636 HE2 HIS 77 HE2 HIS 77 -23.076 -12.735 14.224 637 H HIS 78 H HIS 78 -19.213 -10.418 11.515 638 HA HIS 78 HA HIS 78 -17.675 -11.973 9.701 639 HB2 HIS 78 2HB HIS 78 -17.464 -11.721 12.738 640 HB3 HIS 78 1HB HIS 78 -16.290 -12.574 11.743 641 HD1 HIS 78 HD1 HIS 78 -14.261 -11.175 11.685 642 HD2 HIS 78 HD2 HIS 78 -17.687 -8.846 11.341 643 HE1 HIS 78 HE1 HIS 78 -13.440 -8.816 11.453 644 HE2 HIS 78 HE2 HIS 78 -15.525 -7.455 11.081 645 H HIS 79 H HIS 79 -19.047 -13.561 8.896 646 HA HIS 79 HA HIS 79 -19.025 -16.086 10.243 647 HB2 HIS 79 2HB HIS 79 -21.068 -15.128 11.293 648 HB3 HIS 79 1HB HIS 79 -21.750 -14.804 9.708 649 HD1 HIS 79 HD1 HIS 79 -22.853 -16.744 8.471 650 HD2 HIS 79 HD2 HIS 79 -21.070 -17.884 12.053 651 HE1 HIS 79 HE1 HIS 79 -23.644 -19.087 8.902 652 HE2 HIS 79 HE2 HIS 79 -22.363 -19.823 10.939 653 H HIS 80 H HIS 80 -19.615 -17.813 8.794 654 HA HIS 80 HA HIS 80 -19.974 -17.169 5.964 655 HB2 HIS 80 2HB HIS 80 -17.488 -18.618 7.022 656 HB3 HIS 80 1HB HIS 80 -17.979 -18.624 5.325 657 HD1 HIS 80 HD1 HIS 80 -15.967 -16.742 7.685 658 HD2 HIS 80 HD2 HIS 80 -18.069 -15.881 4.207 659 HE1 HIS 80 HE1 HIS 80 -15.086 -14.523 6.896 660 HE2 HIS 80 HE2 HIS 80 -16.508 -13.944 4.908 661 H1 MET 1 1H MET 1 -4.443 -15.033 -24.098 662 H2 MET 1 2H MET 1 -4.881 -13.450 -24.492 663 H3 MET 1 3H MET 1 -4.840 -13.932 -22.877 664 HA MET 1 HA MET 1 -2.487 -14.231 -22.952 665 HB2 MET 1 2HB MET 1 -1.196 -13.604 -24.968 666 HB3 MET 1 1HB MET 1 -2.308 -14.914 -25.322 667 HG2 MET 1 2HG MET 1 -3.863 -13.250 -26.374 668 HG3 MET 1 1HG MET 1 -2.656 -11.999 -26.092 669 HE1 MET 1 3HE MET 1 -2.108 -15.547 -29.008 670 HE2 MET 1 1HE MET 1 -3.588 -15.242 -28.094 671 HE3 MET 1 2HE MET 1 -2.125 -15.771 -27.261 672 H ALA 2 H ALA 2 -1.251 -12.507 -22.183 673 HA ALA 2 HA ALA 2 -1.790 -9.742 -22.886 674 HB1 ALA 2 3HB ALA 2 -3.517 -10.124 -21.166 675 HB2 ALA 2 1HB ALA 2 -2.281 -9.012 -20.572 676 HB3 ALA 2 2HB ALA 2 -2.290 -10.696 -20.035 677 H ASP 3 H ASP 3 0.272 -9.267 -23.348 678 HA ASP 3 HA ASP 3 2.570 -9.984 -21.710 679 HB2 ASP 3 2HB ASP 3 2.297 -8.075 -24.083 680 HB3 ASP 3 1HB ASP 3 3.827 -8.504 -23.322 681 H LYS 4 H LYS 4 0.169 -7.966 -21.192 682 HA LYS 4 HA LYS 4 1.486 -6.178 -19.386 683 HB2 LYS 4 2HB LYS 4 1.649 -4.897 -21.560 684 HB3 LYS 4 1HB LYS 4 -0.093 -5.028 -21.760 685 HG2 LYS 4 2HG LYS 4 -0.410 -3.706 -19.673 686 HG3 LYS 4 1HG LYS 4 1.337 -3.526 -19.535 687 HD2 LYS 4 2HD LYS 4 -0.332 -2.497 -21.870 688 HD3 LYS 4 1HD LYS 4 0.169 -1.518 -20.494 689 HE2 LYS 4 2HE LYS 4 1.691 -1.009 -22.249 690 HE3 LYS 4 1HE LYS 4 2.577 -2.057 -21.143 691 HZ1 LYS 4 3HZ LYS 4 2.844 -2.554 -23.565 692 HZ2 LYS 4 1HZ LYS 4 1.232 -3.051 -23.600 693 HZ3 LYS 4 2HZ LYS 4 2.350 -3.871 -22.636 694 H LEU 5 H LEU 5 -0.195 -5.461 -17.808 695 HA LEU 5 HA LEU 5 -2.333 -7.496 -17.904 696 HB2 LEU 5 2HB LEU 5 -1.327 -5.963 -15.485 697 HB3 LEU 5 1HB LEU 5 -2.581 -7.198 -15.511 698 HG LEU 5 HG LEU 5 0.386 -7.642 -16.070 699 HD11 LEU 5 1HD1 LEU 5 -0.079 -7.267 -13.689 700 HD12 LEU 5 2HD1 LEU 5 0.385 -8.941 -13.975 701 HD13 LEU 5 3HD1 LEU 5 -1.311 -8.533 -13.708 702 HD21 LEU 5 3HD2 LEU 5 -0.151 -10.057 -16.184 703 HD22 LEU 5 1HD2 LEU 5 -0.937 -9.148 -17.475 704 HD23 LEU 5 2HD2 LEU 5 -1.871 -9.682 -16.076 705 H LYS 6 H LYS 6 -4.164 -6.748 -18.590 706 HA LYS 6 HA LYS 6 -5.047 -4.073 -18.567 707 HB2 LYS 6 2HB LYS 6 -6.788 -6.574 -18.742 708 HB3 LYS 6 1HB LYS 6 -7.200 -4.964 -19.313 709 HG2 LYS 6 2HG LYS 6 -5.060 -6.778 -20.464 710 HG3 LYS 6 1HG LYS 6 -6.630 -6.431 -21.185 711 HD2 LYS 6 2HD LYS 6 -4.429 -4.377 -20.715 712 HD3 LYS 6 1HD LYS 6 -4.763 -5.157 -22.257 713 HE2 LYS 6 2HE LYS 6 -6.738 -3.384 -20.767 714 HE3 LYS 6 1HE LYS 6 -5.709 -2.849 -22.096 715 HZ1 LYS 6 3HZ LYS 6 -6.793 -4.421 -23.543 716 HZ2 LYS 6 1HZ LYS 6 -7.946 -3.414 -22.828 717 HZ3 LYS 6 2HZ LYS 6 -7.742 -4.994 -22.275 718 H PHE 7 H PHE 7 -6.753 -3.128 -17.282 719 HA PHE 7 HA PHE 7 -7.355 -4.357 -14.699 720 HB2 PHE 7 2HB PHE 7 -6.553 -2.257 -13.512 721 HB3 PHE 7 1HB PHE 7 -5.263 -3.243 -14.178 722 HD1 PHE 7 HD1 PHE 7 -3.977 -2.461 -16.167 723 HD2 PHE 7 HD2 PHE 7 -6.969 -0.002 -14.359 724 HE1 PHE 7 HE1 PHE 7 -3.110 -0.503 -17.380 725 HE2 PHE 7 HE2 PHE 7 -6.100 1.947 -15.576 726 HZ PHE 7 HZ PHE 7 -4.173 1.699 -17.088 727 H GLU 8 H GLU 8 -9.248 -3.546 -13.785 728 HA GLU 8 HA GLU 8 -10.556 -1.220 -15.015 729 HB2 GLU 8 2HB GLU 8 -11.510 -3.293 -16.066 730 HB3 GLU 8 1HB GLU 8 -11.931 -3.902 -14.468 731 HG2 GLU 8 2HG GLU 8 -13.472 -2.028 -14.130 732 HG3 GLU 8 1HG GLU 8 -13.029 -1.349 -15.694 733 H ILE 9 H ILE 9 -11.184 0.125 -13.429 734 HA ILE 9 HA ILE 9 -10.786 -0.637 -10.649 735 HB ILE 9 HB ILE 9 -11.650 2.042 -11.859 736 HG12 ILE 9 2HG1 ILE 9 -8.976 1.136 -10.681 737 HG13 ILE 9 1HG1 ILE 9 -9.300 1.397 -12.386 738 HG21 ILE 9 1HG2 ILE 9 -11.280 3.032 -9.621 739 HG22 ILE 9 2HG2 ILE 9 -10.945 1.431 -8.958 740 HG23 ILE 9 3HG2 ILE 9 -12.557 1.813 -9.567 741 HD11 ILE 9 3HD1 ILE 9 -8.024 3.217 -11.470 742 HD12 ILE 9 1HD1 ILE 9 -9.248 3.509 -10.234 743 HD13 ILE 9 2HD1 ILE 9 -9.623 3.797 -11.935 744 H ILE 10 H ILE 10 -12.291 -1.750 -9.738 745 HA ILE 10 HA ILE 10 -15.014 -1.973 -10.710 746 HB ILE 10 HB ILE 10 -13.694 -3.288 -8.282 747 HG12 ILE 10 2HG1 ILE 10 -12.544 -3.946 -10.363 748 HG13 ILE 10 1HG1 ILE 10 -13.456 -5.307 -9.727 749 HG21 ILE 10 1HG2 ILE 10 -15.557 -4.932 -8.387 750 HG22 ILE 10 2HG2 ILE 10 -16.319 -3.990 -9.671 751 HG23 ILE 10 3HG2 ILE 10 -16.137 -3.299 -8.056 752 HD11 ILE 10 3HD1 ILE 10 -14.238 -3.556 -12.061 753 HD12 ILE 10 1HD1 ILE 10 -15.221 -4.869 -11.406 754 HD13 ILE 10 2HD1 ILE 10 -13.651 -5.216 -12.126 755 H GLU 11 H GLU 11 -13.264 -0.586 -7.983 756 HA GLU 11 HA GLU 11 -15.358 1.314 -7.449 757 HB2 GLU 11 2HB GLU 11 -16.135 -0.701 -6.120 758 HB3 GLU 11 1HB GLU 11 -14.637 -0.638 -5.196 759 HG2 GLU 11 2HG GLU 11 -15.238 1.562 -4.310 760 HG3 GLU 11 1HG GLU 11 -16.694 1.599 -5.305 761 H GLU 12 H GLU 12 -14.569 3.064 -6.241 762 HA GLU 12 HA GLU 12 -11.671 3.096 -5.582 763 HB2 GLU 12 2HB GLU 12 -13.653 5.395 -5.924 764 HB3 GLU 12 1HB GLU 12 -11.966 5.592 -5.455 765 HG2 GLU 12 2HG GLU 12 -11.243 4.677 -7.629 766 HG3 GLU 12 1HG GLU 12 -12.928 4.430 -8.083 767 H LEU 13 H LEU 13 -11.052 3.228 -3.443 768 HA LEU 13 HA LEU 13 -13.257 2.854 -1.495 769 HB2 LEU 13 2HB LEU 13 -10.308 2.141 -1.219 770 HB3 LEU 13 1HB LEU 13 -11.549 1.818 -0.018 771 HG LEU 13 HG LEU 13 -11.368 0.562 -2.784 772 HD11 LEU 13 1HD1 LEU 13 -10.969 -1.540 -1.541 773 HD12 LEU 13 2HD1 LEU 13 -10.933 -0.631 -0.026 774 HD13 LEU 13 3HD1 LEU 13 -9.708 -0.340 -1.263 775 HD21 LEU 13 3HD2 LEU 13 -13.293 -0.830 -2.106 776 HD22 LEU 13 1HD2 LEU 13 -13.714 0.879 -2.204 777 HD23 LEU 13 2HD2 LEU 13 -13.464 0.122 -0.630 778 H ILE 14 H ILE 14 -10.018 4.386 -1.536 779 HA ILE 14 HA ILE 14 -10.932 6.554 0.266 780 HB ILE 14 HB ILE 14 -8.390 4.919 0.866 781 HG12 ILE 14 2HG1 ILE 14 -11.018 4.690 2.415 782 HG13 ILE 14 1HG1 ILE 14 -10.467 3.502 1.243 783 HG21 ILE 14 1HG2 ILE 14 -8.409 6.112 3.021 784 HG22 ILE 14 2HG2 ILE 14 -9.895 6.948 2.574 785 HG23 ILE 14 3HG2 ILE 14 -8.404 7.266 1.684 786 HD11 ILE 14 3HD1 ILE 14 -10.031 2.789 3.518 787 HD12 ILE 14 1HD1 ILE 14 -9.046 4.224 3.806 788 HD13 ILE 14 2HD1 ILE 14 -8.524 3.011 2.632 789 H VAL 15 H VAL 15 -10.101 8.491 -0.553 790 HA VAL 15 HA VAL 15 -7.603 8.452 -2.147 791 HB VAL 15 HB VAL 15 -9.604 10.735 -1.714 792 HG11 VAL 15 1HG1 VAL 15 -7.107 10.696 -3.463 793 HG12 VAL 15 2HG1 VAL 15 -7.349 11.663 -2.006 794 HG13 VAL 15 3HG1 VAL 15 -8.324 11.975 -3.441 795 HG21 VAL 15 3HG2 VAL 15 -10.499 8.952 -3.149 796 HG22 VAL 15 1HG2 VAL 15 -9.064 9.025 -4.178 797 HG23 VAL 15 2HG2 VAL 15 -10.172 10.397 -4.104 798 H LEU 16 H LEU 16 -5.764 9.004 -1.250 799 HA LEU 16 HA LEU 16 -5.680 9.707 1.607 800 HB2 LEU 16 2HB LEU 16 -3.539 8.506 -0.202 801 HB3 LEU 16 1HB LEU 16 -3.429 8.694 1.540 802 HG LEU 16 HG LEU 16 -5.401 6.881 0.098 803 HD11 LEU 16 1HD1 LEU 16 -3.123 6.005 -0.072 804 HD12 LEU 16 2HD1 LEU 16 -4.100 5.002 0.996 805 HD13 LEU 16 3HD1 LEU 16 -2.920 6.126 1.678 806 HD21 LEU 16 3HD2 LEU 16 -4.911 7.227 3.069 807 HD22 LEU 16 1HD2 LEU 16 -5.968 6.022 2.330 808 HD23 LEU 16 2HD2 LEU 16 -6.347 7.734 2.176 809 H SER 17 H SER 17 -4.609 10.875 -1.546 810 HA SER 17 HA SER 17 -3.744 13.421 -0.614 811 HB2 SER 17 2HB SER 17 -1.752 12.171 0.165 812 HB3 SER 17 1HB SER 17 -1.532 11.475 -1.437 813 HG SER 17 HG SER 17 -1.197 14.172 -0.624 814 H GLU 18 H GLU 18 -2.999 14.764 -2.358 815 HA GLU 18 HA GLU 18 -3.460 13.850 -5.142 816 HB2 GLU 18 2HB GLU 18 -5.504 15.027 -4.392 817 HB3 GLU 18 1HB GLU 18 -4.557 16.405 -3.841 818 HG2 GLU 18 2HG GLU 18 -3.839 16.797 -6.209 819 HG3 GLU 18 1HG GLU 18 -4.900 15.485 -6.718 820 H ASN 19 H ASN 19 -1.931 14.646 -6.593 821 HA ASN 19 HA ASN 19 0.432 15.924 -5.332 822 HB2 ASN 19 2HB ASN 19 0.475 13.847 -6.904 823 HB3 ASN 19 1HB ASN 19 0.219 14.966 -8.229 824 HD21 ASN 19 1HD2 ASN 19 2.433 13.146 -7.725 825 HD22 ASN 19 2HD2 ASN 19 3.866 14.112 -7.698 826 H ALA 20 H ALA 20 1.579 17.763 -6.460 827 HA ALA 20 HA ALA 20 -0.089 19.845 -7.536 828 HB1 ALA 20 3HB ALA 20 2.939 19.573 -7.582 829 HB2 ALA 20 1HB ALA 20 1.992 20.332 -6.306 830 HB3 ALA 20 2HB ALA 20 2.033 21.054 -7.915 831 H LYS 21 H LYS 21 1.409 17.079 -8.897 832 HA LYS 21 HA LYS 21 1.047 17.864 -11.695 833 HB2 LYS 21 2HB LYS 21 1.575 15.091 -10.533 834 HB3 LYS 21 1HB LYS 21 1.791 15.592 -12.204 835 HG2 LYS 21 2HG LYS 21 3.444 16.515 -9.836 836 HG3 LYS 21 1HG LYS 21 3.939 15.342 -11.048 837 HD2 LYS 21 2HD LYS 21 3.242 18.204 -11.798 838 HD3 LYS 21 1HD LYS 21 4.855 17.763 -11.250 839 HE2 LYS 21 2HE LYS 21 4.854 17.805 -13.669 840 HE3 LYS 21 1HE LYS 21 4.995 16.125 -13.159 841 HZ1 LYS 21 3HZ LYS 21 3.444 16.472 -15.015 842 HZ2 LYS 21 1HZ LYS 21 2.461 17.420 -14.021 843 HZ3 LYS 21 2HZ LYS 21 2.689 15.779 -13.674 844 H GLY 22 H GLY 22 -0.790 16.760 -9.124 845 HA2 GLY 22 2HA GLY 22 -3.153 16.729 -9.110 846 HA3 GLY 22 1HA GLY 22 -3.156 16.035 -10.732 847 H TRP 23 H TRP 23 -0.896 14.234 -9.983 848 HA TRP 23 HA TRP 23 -2.240 11.874 -9.890 849 HB2 TRP 23 2HB TRP 23 0.587 12.550 -9.021 850 HB3 TRP 23 1HB TRP 23 0.001 10.894 -8.995 851 HD1 TRP 23 HD1 TRP 23 -0.158 13.664 -11.770 852 HE1 TRP 23 HE1 TRP 23 0.730 12.627 -13.937 853 HE3 TRP 23 HE3 TRP 23 0.928 8.955 -10.028 854 HZ2 TRP 23 HZ2 TRP 23 1.751 10.120 -14.811 855 HZ3 TRP 23 HZ3 TRP 23 1.872 7.302 -11.596 856 HH2 TRP 23 HH2 TRP 23 2.271 7.881 -13.948 857 H ARG 24 H ARG 24 -3.385 10.757 -8.385 858 HA ARG 24 HA ARG 24 -3.297 11.711 -5.595 859 HB2 ARG 24 2HB ARG 24 -5.479 10.407 -7.250 860 HB3 ARG 24 1HB ARG 24 -5.559 10.426 -5.488 861 HG2 ARG 24 2HG ARG 24 -5.502 12.871 -5.479 862 HG3 ARG 24 1HG ARG 24 -5.367 12.895 -7.236 863 HD2 ARG 24 2HD ARG 24 -7.718 11.732 -5.698 864 HD3 ARG 24 1HD ARG 24 -7.673 13.339 -6.426 865 HE ARG 24 HE ARG 24 -7.604 12.350 -8.588 866 HH11 ARG 24 1HH1 ARG 24 -8.284 10.011 -6.059 867 HH12 ARG 24 2HH1 ARG 24 -8.962 8.845 -7.151 868 HH21 ARG 24 1HH2 ARG 24 -8.458 10.847 -10.002 869 HH22 ARG 24 2HH2 ARG 24 -9.061 9.332 -9.407 870 H LYS 25 H LYS 25 -2.530 10.460 -4.046 871 HA LYS 25 HA LYS 25 -1.895 7.632 -4.456 872 HB2 LYS 25 2HB LYS 25 -1.840 9.250 -1.843 873 HB3 LYS 25 1HB LYS 25 -1.111 7.668 -2.114 874 HG2 LYS 25 2HG LYS 25 0.489 8.675 -3.711 875 HG3 LYS 25 1HG LYS 25 -0.250 10.253 -3.437 876 HD2 LYS 25 2HD LYS 25 0.339 9.947 -0.952 877 HD3 LYS 25 1HD LYS 25 1.320 8.569 -1.456 878 HE2 LYS 25 2HE LYS 25 2.724 10.533 -1.212 879 HE3 LYS 25 1HE LYS 25 2.644 10.104 -2.924 880 HZ1 LYS 25 3HZ LYS 25 2.405 12.500 -2.464 881 HZ2 LYS 25 1HZ LYS 25 0.964 12.193 -1.640 882 HZ3 LYS 25 2HZ LYS 25 1.086 11.856 -3.294 883 H GLU 26 H GLU 26 -3.622 6.294 -4.482 884 HA GLU 26 HA GLU 26 -5.709 6.587 -2.408 885 HB2 GLU 26 2HB GLU 26 -7.498 6.357 -4.067 886 HB3 GLU 26 1HB GLU 26 -6.496 7.748 -4.451 887 HG2 GLU 26 2HG GLU 26 -5.278 6.184 -6.116 888 HG3 GLU 26 1HG GLU 26 -6.635 5.088 -5.884 889 H LEU 27 H LEU 27 -6.891 4.808 -1.963 890 HA LEU 27 HA LEU 27 -5.939 2.140 -2.782 891 HB2 LEU 27 2HB LEU 27 -5.951 2.577 -0.335 892 HB3 LEU 27 1HB LEU 27 -7.635 3.067 -0.415 893 HG LEU 27 HG LEU 27 -8.250 0.720 -1.068 894 HD11 LEU 27 1HD1 LEU 27 -6.666 -1.126 -0.715 895 HD12 LEU 27 2HD1 LEU 27 -5.360 0.034 -0.461 896 HD13 LEU 27 3HD1 LEU 27 -6.159 -0.068 -2.031 897 HD21 LEU 27 3HD2 LEU 27 -8.031 -0.230 1.182 898 HD22 LEU 27 1HD2 LEU 27 -8.474 1.475 1.245 899 HD23 LEU 27 2HD2 LEU 27 -6.815 0.982 1.589 900 H ASN 28 H ASN 28 -7.183 1.167 -4.231 901 HA ASN 28 HA ASN 28 -10.109 1.563 -4.317 902 HB2 ASN 28 2HB ASN 28 -9.904 1.463 -6.892 903 HB3 ASN 28 1HB ASN 28 -9.448 2.964 -6.112 904 HD21 ASN 28 1HD2 ASN 28 -7.197 0.216 -6.102 905 HD22 ASN 28 2HD2 ASN 28 -6.104 0.899 -7.244 906 H ARG 29 H ARG 29 -11.206 -0.211 -5.547 907 HA ARG 29 HA ARG 29 -9.838 -2.813 -5.367 908 HB2 ARG 29 2HB ARG 29 -12.798 -2.063 -5.589 909 HB3 ARG 29 1HB ARG 29 -12.209 -3.717 -5.757 910 HG2 ARG 29 2HG ARG 29 -11.343 -3.677 -3.469 911 HG3 ARG 29 1HG ARG 29 -11.846 -1.993 -3.293 912 HD2 ARG 29 2HD ARG 29 -13.413 -3.567 -2.199 913 HD3 ARG 29 1HD ARG 29 -14.188 -2.631 -3.477 914 HE ARG 29 HE ARG 29 -14.125 -4.595 -4.887 915 HH11 ARG 29 1HH1 ARG 29 -13.540 -5.226 -1.474 916 HH12 ARG 29 2HH1 ARG 29 -13.964 -6.901 -1.593 917 HH21 ARG 29 1HH2 ARG 29 -14.622 -6.806 -5.031 918 HH22 ARG 29 2HH2 ARG 29 -14.575 -7.792 -3.606 919 H VAL 30 H VAL 30 -9.074 -3.597 -7.200 920 HA VAL 30 HA VAL 30 -10.122 -2.723 -9.836 921 HB VAL 30 HB VAL 30 -7.179 -3.027 -9.025 922 HG11 VAL 30 1HG1 VAL 30 -6.609 -2.301 -11.324 923 HG12 VAL 30 2HG1 VAL 30 -8.317 -2.371 -11.767 924 HG13 VAL 30 3HG1 VAL 30 -7.464 -3.845 -11.310 925 HG21 VAL 30 3HG2 VAL 30 -8.719 -0.539 -9.871 926 HG22 VAL 30 1HG2 VAL 30 -6.983 -0.610 -9.543 927 HG23 VAL 30 2HG2 VAL 30 -8.139 -0.903 -8.245 928 H SER 31 H SER 31 -10.046 -4.302 -11.473 929 HA SER 31 HA SER 31 -9.530 -7.105 -10.659 930 HB2 SER 31 2HB SER 31 -11.932 -6.691 -11.139 931 HB3 SER 31 1HB SER 31 -11.512 -6.049 -12.731 932 HG SER 31 HG SER 31 -11.502 -8.685 -11.794 933 H TRP 32 H TRP 32 -7.948 -8.067 -11.790 934 HA TRP 32 HA TRP 32 -6.676 -6.589 -14.010 935 HB2 TRP 32 2HB TRP 32 -5.543 -8.696 -12.111 936 HB3 TRP 32 1HB TRP 32 -4.649 -7.994 -13.457 937 HD1 TRP 32 HD1 TRP 32 -5.881 -7.133 -9.912 938 HE1 TRP 32 HE1 TRP 32 -4.643 -4.999 -9.127 939 HE3 TRP 32 HE3 TRP 32 -3.672 -5.759 -14.329 940 HZ2 TRP 32 HZ2 TRP 32 -3.055 -2.973 -10.237 941 HZ3 TRP 32 HZ3 TRP 32 -2.317 -3.706 -14.385 942 HH2 TRP 32 HH2 TRP 32 -2.013 -2.337 -12.378 943 H ASN 33 H ASN 33 -7.093 -7.282 -15.956 944 HA ASN 33 HA ASN 33 -7.672 -8.466 -17.779 945 HB2 ASN 33 2HB ASN 33 -6.285 -10.721 -16.255 946 HB3 ASN 33 1HB ASN 33 -6.865 -10.906 -17.906 947 HD21 ASN 33 1HD2 ASN 33 -4.142 -11.079 -16.853 948 HD22 ASN 33 2HD2 ASN 33 -3.218 -9.934 -17.755 949 H ASP 34 H ASP 34 -9.696 -8.032 -15.912 950 HA ASP 34 HA ASP 34 -11.652 -8.683 -14.995 951 HB2 ASP 34 2HB ASP 34 -11.810 -10.209 -17.631 952 HB3 ASP 34 1HB ASP 34 -13.181 -9.948 -16.557 953 H ALA 35 H ALA 35 -9.560 -10.136 -13.948 954 HA ALA 35 HA ALA 35 -10.565 -12.857 -13.432 955 HB1 ALA 35 3HB ALA 35 -8.486 -13.094 -12.091 956 HB2 ALA 35 1HB ALA 35 -8.102 -11.396 -12.386 957 HB3 ALA 35 2HB ALA 35 -8.132 -12.537 -13.729 958 H GLU 36 H GLU 36 -9.921 -13.015 -10.693 959 HA GLU 36 HA GLU 36 -11.886 -11.973 -9.145 960 HB2 GLU 36 2HB GLU 36 -10.391 -12.200 -7.169 961 HB3 GLU 36 1HB GLU 36 -10.307 -13.588 -8.242 962 HG2 GLU 36 2HG GLU 36 -8.160 -12.848 -9.127 963 HG3 GLU 36 1HG GLU 36 -8.251 -11.357 -8.191 964 HA PRO 37 HA PRO 37 -10.959 -7.455 -8.908 965 HB2 PRO 37 2HB PRO 37 -13.154 -6.826 -7.358 966 HB3 PRO 37 1HB PRO 37 -13.246 -7.019 -9.118 967 HG2 PRO 37 2HG PRO 37 -13.976 -8.982 -6.976 968 HG3 PRO 37 1HG PRO 37 -14.841 -8.575 -8.475 969 HD2 PRO 37 2HD PRO 37 -13.295 -10.796 -8.275 970 HD3 PRO 37 1HD PRO 37 -13.470 -9.901 -9.799 971 H LYS 38 H LYS 38 -9.468 -6.810 -7.443 972 HA LYS 38 HA LYS 38 -9.429 -7.970 -4.724 973 HB2 LYS 38 2HB LYS 38 -7.000 -8.283 -4.906 974 HB3 LYS 38 1HB LYS 38 -7.801 -9.174 -6.196 975 HG2 LYS 38 2HG LYS 38 -7.246 -7.288 -7.775 976 HG3 LYS 38 1HG LYS 38 -6.349 -6.514 -6.466 977 HD2 LYS 38 2HD LYS 38 -4.790 -7.694 -7.912 978 HD3 LYS 38 1HD LYS 38 -4.847 -8.513 -6.351 979 HE2 LYS 38 2HE LYS 38 -6.388 -10.201 -7.320 980 HE3 LYS 38 1HE LYS 38 -6.281 -9.388 -8.883 981 HZ1 LYS 38 3HZ LYS 38 -4.043 -10.675 -7.414 982 HZ2 LYS 38 1HZ LYS 38 -3.883 -9.827 -8.867 983 HZ3 LYS 38 2HZ LYS 38 -4.791 -11.248 -8.815 984 H TYR 39 H TYR 39 -7.755 -6.635 -3.378 985 HA TYR 39 HA TYR 39 -8.369 -3.830 -3.686 986 HB2 TYR 39 2HB TYR 39 -6.710 -5.313 -1.596 987 HB3 TYR 39 1HB TYR 39 -7.240 -3.633 -1.484 988 HD1 TYR 39 HD2 TYR 39 -9.684 -3.114 -1.201 989 HD2 TYR 39 HD1 TYR 39 -8.272 -7.149 -1.100 990 HE1 TYR 39 HE2 TYR 39 -11.807 -3.836 -0.214 991 HE2 TYR 39 HE1 TYR 39 -10.412 -7.869 -0.121 992 HH TYR 39 HH TYR 39 -12.274 -6.836 1.208 993 H ASP 40 H ASP 40 -7.041 -2.345 -4.395 994 HA ASP 40 HA ASP 40 -4.203 -2.899 -5.040 995 HB2 ASP 40 2HB ASP 40 -5.685 -3.046 -7.080 996 HB3 ASP 40 1HB ASP 40 -6.217 -1.394 -6.782 997 H ILE 41 H ILE 41 -2.801 -1.203 -4.592 998 HA ILE 41 HA ILE 41 -3.910 1.422 -3.834 999 HB ILE 41 HB ILE 41 -3.762 0.282 -1.677 1000 HG12 ILE 41 2HG1 ILE 41 -1.501 2.312 -1.975 1001 HG13 ILE 41 1HG1 ILE 41 -3.198 2.706 -1.741 1002 HG21 ILE 41 1HG2 ILE 41 -2.109 -1.458 -2.201 1003 HG22 ILE 41 2HG2 ILE 41 -1.674 -0.602 -0.720 1004 HG23 ILE 41 3HG2 ILE 41 -0.826 -0.247 -2.227 1005 HD11 ILE 41 3HD1 ILE 41 -1.959 2.995 0.303 1006 HD12 ILE 41 1HD1 ILE 41 -1.389 1.328 0.242 1007 HD13 ILE 41 2HD1 ILE 41 -3.103 1.666 0.492 1008 H ARG 42 H ARG 42 -2.798 3.002 -4.658 1009 HA ARG 42 HA ARG 42 -0.002 3.193 -5.027 1010 HB2 ARG 42 2HB ARG 42 0.227 3.102 -7.479 1011 HB3 ARG 42 1HB ARG 42 -0.231 1.541 -6.817 1012 HG2 ARG 42 2HG ARG 42 -2.445 1.707 -7.672 1013 HG3 ARG 42 1HG ARG 42 -2.248 3.427 -8.030 1014 HD2 ARG 42 2HD ARG 42 -2.087 1.741 -10.005 1015 HD3 ARG 42 1HD ARG 42 -0.893 3.032 -9.898 1016 HE ARG 42 HE ARG 42 0.746 1.478 -9.583 1017 HH11 ARG 42 1HH1 ARG 42 -2.332 -0.140 -9.111 1018 HH12 ARG 42 2HH1 ARG 42 -1.618 -1.718 -9.019 1019 HH21 ARG 42 1HH2 ARG 42 1.665 -0.563 -9.358 1020 HH22 ARG 42 2HH2 ARG 42 0.654 -1.957 -9.159 1021 H THR 43 H THR 43 0.422 4.952 -6.959 1022 HA THR 43 HA THR 43 -1.466 7.143 -6.500 1023 HB THR 43 HB THR 43 1.358 7.309 -7.666 1024 HG1 THR 43 HG1 THR 43 0.509 7.085 -5.014 1025 HG21 THR 43 3HG2 THR 43 1.196 9.675 -6.973 1026 HG22 THR 43 1HG2 THR 43 -0.434 9.392 -6.361 1027 HG23 THR 43 2HG2 THR 43 -0.105 9.262 -8.091 1028 H TRP 44 H TRP 44 -2.748 7.620 -8.177 1029 HA TRP 44 HA TRP 44 -2.171 6.606 -10.915 1030 HB2 TRP 44 2HB TRP 44 -4.854 7.272 -9.600 1031 HB3 TRP 44 1HB TRP 44 -4.652 6.794 -11.277 1032 HD1 TRP 44 HD1 TRP 44 -4.588 5.301 -7.709 1033 HE1 TRP 44 HE1 TRP 44 -5.029 2.754 -7.921 1034 HE3 TRP 44 HE3 TRP 44 -4.345 4.798 -12.793 1035 HZ2 TRP 44 HZ2 TRP 44 -5.202 0.822 -9.902 1036 HZ3 TRP 44 HZ3 TRP 44 -4.652 2.557 -13.760 1037 HH2 TRP 44 HH2 TRP 44 -5.072 0.605 -12.349 1038 H SER 45 H SER 45 -2.901 8.080 -12.626 1039 HA SER 45 HA SER 45 -2.384 10.867 -12.145 1040 HB2 SER 45 2HB SER 45 -2.893 11.149 -14.528 1041 HB3 SER 45 1HB SER 45 -1.900 9.717 -14.308 1042 HG SER 45 HG SER 45 -4.202 9.880 -15.529 1043 HA PRO 46 HA PRO 46 -6.523 12.551 -11.224 1044 HB2 PRO 46 2HB PRO 46 -6.814 14.490 -13.281 1045 HB3 PRO 46 1HB PRO 46 -6.027 14.744 -11.714 1046 HG2 PRO 46 2HG PRO 46 -4.773 14.074 -14.353 1047 HG3 PRO 46 1HG PRO 46 -4.231 15.213 -13.096 1048 HD2 PRO 46 2HD PRO 46 -3.048 12.844 -13.315 1049 HD3 PRO 46 1HD PRO 46 -3.421 13.495 -11.701 1050 H ASP 47 H ASP 47 -5.885 11.541 -14.554 1051 HA ASP 47 HA ASP 47 -8.752 11.055 -15.082 1052 HB2 ASP 47 2HB ASP 47 -6.349 10.947 -16.964 1053 HB3 ASP 47 1HB ASP 47 -8.011 10.615 -17.442 1054 H HIS 48 H HIS 48 -6.271 9.355 -13.683 1055 HA HIS 48 HA HIS 48 -5.664 7.207 -13.329 1056 HB2 HIS 48 2HB HIS 48 -8.513 6.617 -14.222 1057 HB3 HIS 48 1HB HIS 48 -7.447 5.417 -13.505 1058 HD1 HIS 48 HD1 HIS 48 -10.134 6.079 -12.222 1059 HD2 HIS 48 HD2 HIS 48 -6.560 7.887 -11.126 1060 HE1 HIS 48 HE1 HIS 48 -10.431 6.755 -9.827 1061 HE2 HIS 48 HE2 HIS 48 -8.156 7.535 -9.127 1062 H GLU 49 H GLU 49 -5.420 8.392 -16.101 1063 HA GLU 49 HA GLU 49 -5.390 6.152 -17.960 1064 HB2 GLU 49 2HB GLU 49 -4.514 7.807 -19.576 1065 HB3 GLU 49 1HB GLU 49 -5.941 8.433 -18.759 1066 HG2 GLU 49 2HG GLU 49 -4.512 9.798 -17.280 1067 HG3 GLU 49 1HG GLU 49 -3.077 9.146 -18.065 1068 H LYS 50 H LYS 50 -3.279 7.626 -15.696 1069 HA LYS 50 HA LYS 50 -0.969 6.003 -16.559 1070 HB2 LYS 50 2HB LYS 50 -0.914 8.767 -15.281 1071 HB3 LYS 50 1HB LYS 50 0.498 7.789 -15.583 1072 HG2 LYS 50 2HG LYS 50 -1.255 8.646 -17.886 1073 HG3 LYS 50 1HG LYS 50 -0.109 9.777 -17.172 1074 HD2 LYS 50 2HD LYS 50 1.009 8.788 -19.030 1075 HD3 LYS 50 1HD LYS 50 1.714 8.066 -17.590 1076 HE2 LYS 50 2HE LYS 50 0.280 6.077 -17.917 1077 HE3 LYS 50 1HE LYS 50 -0.356 6.786 -19.400 1078 HZ1 LYS 50 3HZ LYS 50 2.473 6.051 -18.891 1079 HZ2 LYS 50 1HZ LYS 50 1.894 6.761 -20.308 1080 HZ3 LYS 50 2HZ LYS 50 1.390 5.208 -19.875 1081 H MET 51 H MET 51 0.429 5.422 -14.791 1082 HA MET 51 HA MET 51 -0.512 5.437 -12.058 1083 HB2 MET 51 2HB MET 51 -0.644 2.960 -11.882 1084 HB3 MET 51 1HB MET 51 -1.871 3.600 -12.958 1085 HG2 MET 51 2HG MET 51 -0.522 2.884 -14.908 1086 HG3 MET 51 1HG MET 51 0.697 2.228 -13.809 1087 HE1 MET 51 3HE MET 51 -0.974 -1.011 -15.287 1088 HE2 MET 51 1HE MET 51 0.540 -0.142 -15.032 1089 HE3 MET 51 2HE MET 51 -0.674 0.503 -16.140 1090 H GLY 52 H GLY 52 1.104 4.110 -10.675 1091 HA2 GLY 52 2HA GLY 52 3.726 3.626 -11.869 1092 HA3 GLY 52 1HA GLY 52 3.633 5.018 -10.796 1093 H LYS 53 H LYS 53 4.714 4.402 -9.033 1094 HA LYS 53 HA LYS 53 5.118 1.849 -8.040 1095 HB2 LYS 53 2HB LYS 53 5.266 4.561 -6.678 1096 HB3 LYS 53 1HB LYS 53 5.733 3.081 -5.853 1097 HG2 LYS 53 2HG LYS 53 6.999 4.140 -8.397 1098 HG3 LYS 53 1HG LYS 53 7.674 4.286 -6.771 1099 HD2 LYS 53 2HD LYS 53 7.745 1.775 -6.628 1100 HD3 LYS 53 1HD LYS 53 7.190 1.699 -8.303 1101 HE2 LYS 53 2HE LYS 53 9.640 1.420 -8.111 1102 HE3 LYS 53 1HE LYS 53 9.221 2.851 -9.055 1103 HZ1 LYS 53 3HZ LYS 53 9.586 4.183 -7.035 1104 HZ2 LYS 53 1HZ LYS 53 10.979 3.364 -7.533 1105 HZ3 LYS 53 2HZ LYS 53 10.088 2.792 -6.219 1106 H GLY 54 H GLY 54 3.752 0.424 -7.153 1107 HA2 GLY 54 2HA GLY 54 2.105 0.959 -4.948 1108 HA3 GLY 54 1HA GLY 54 1.130 0.864 -6.410 1109 H ILE 55 H ILE 55 0.438 -0.961 -4.794 1110 HA ILE 55 HA ILE 55 1.589 -3.496 -5.696 1111 HB ILE 55 HB ILE 55 2.908 -2.958 -3.672 1112 HG12 ILE 55 2HG1 ILE 55 0.916 -5.218 -3.164 1113 HG13 ILE 55 1HG1 ILE 55 2.414 -5.348 -4.075 1114 HG21 ILE 55 1HG2 ILE 55 1.898 -2.715 -1.438 1115 HG22 ILE 55 2HG2 ILE 55 0.285 -2.831 -2.143 1116 HG23 ILE 55 3HG2 ILE 55 1.319 -1.458 -2.537 1117 HD11 ILE 55 3HD1 ILE 55 2.168 -4.805 -1.119 1118 HD12 ILE 55 1HD1 ILE 55 3.683 -4.899 -2.020 1119 HD13 ILE 55 2HD1 ILE 55 2.650 -6.319 -1.881 1120 H THR 56 H THR 56 0.191 -5.244 -5.420 1121 HA THR 56 HA THR 56 -2.670 -4.630 -5.021 1122 HB THR 56 HB THR 56 -3.051 -6.886 -6.090 1123 HG1 THR 56 HG1 THR 56 -0.276 -6.832 -6.750 1124 HG21 THR 56 3HG2 THR 56 -2.515 -6.205 -8.387 1125 HG22 THR 56 1HG2 THR 56 -1.390 -4.983 -7.785 1126 HG23 THR 56 2HG2 THR 56 -3.121 -4.829 -7.467 1127 H LEU 57 H LEU 57 -3.888 -5.856 -3.604 1128 HA LEU 57 HA LEU 57 -2.626 -7.738 -1.726 1129 HB2 LEU 57 2HB LEU 57 -4.682 -5.588 -1.009 1130 HB3 LEU 57 1HB LEU 57 -3.959 -6.736 0.106 1131 HG LEU 57 HG LEU 57 -2.483 -4.469 -1.294 1132 HD11 LEU 57 1HD1 LEU 57 -4.039 -3.605 0.385 1133 HD12 LEU 57 2HD1 LEU 57 -2.375 -3.405 0.924 1134 HD13 LEU 57 3HD1 LEU 57 -3.368 -4.695 1.607 1135 HD21 LEU 57 3HD2 LEU 57 -0.584 -5.019 0.183 1136 HD22 LEU 57 1HD2 LEU 57 -0.980 -6.357 -0.896 1137 HD23 LEU 57 2HD2 LEU 57 -1.462 -6.420 0.799 1138 H SER 58 H SER 58 -3.979 -9.493 -1.218 1139 HA SER 58 HA SER 58 -6.531 -9.774 -2.691 1140 HB2 SER 58 2HB SER 58 -5.044 -11.902 -1.065 1141 HB3 SER 58 1HB SER 58 -6.319 -12.167 -2.261 1142 HG SER 58 HG SER 58 -3.641 -11.377 -2.639 1143 H GLU 59 H GLU 59 -8.195 -11.155 -1.218 1144 HA GLU 59 HA GLU 59 -9.088 -9.638 0.950 1145 HB2 GLU 59 2HB GLU 59 -9.576 -12.617 0.499 1146 HB3 GLU 59 1HB GLU 59 -10.536 -11.556 1.527 1147 HG2 GLU 59 2HG GLU 59 -11.158 -10.226 -0.472 1148 HG3 GLU 59 1HG GLU 59 -10.280 -11.373 -1.484 1149 H GLU 60 H GLU 60 -6.902 -12.385 0.882 1150 HA GLU 60 HA GLU 60 -6.624 -12.885 3.616 1151 HB2 GLU 60 2HB GLU 60 -4.678 -13.338 1.309 1152 HB3 GLU 60 1HB GLU 60 -4.533 -14.080 2.903 1153 HG2 GLU 60 2HG GLU 60 -6.606 -15.297 2.601 1154 HG3 GLU 60 1HG GLU 60 -6.938 -14.455 1.088 1155 H GLU 61 H GLU 61 -4.358 -11.019 1.480 1156 HA GLU 61 HA GLU 61 -2.700 -10.127 3.586 1157 HB2 GLU 61 2HB GLU 61 -3.106 -8.804 0.862 1158 HB3 GLU 61 1HB GLU 61 -1.828 -8.405 2.004 1159 HG2 GLU 61 2HG GLU 61 -0.661 -9.802 0.619 1160 HG3 GLU 61 1HG GLU 61 -1.239 -10.979 1.787 1161 H PHE 62 H PHE 62 -5.333 -8.412 1.877 1162 HA PHE 62 HA PHE 62 -5.212 -6.013 3.327 1163 HB2 PHE 62 2HB PHE 62 -6.351 -6.325 1.111 1164 HB3 PHE 62 1HB PHE 62 -7.630 -7.230 1.911 1165 HD1 PHE 62 HD2 PHE 62 -5.993 -3.867 1.752 1166 HD2 PHE 62 HD1 PHE 62 -9.486 -6.063 2.878 1167 HE1 PHE 62 HE2 PHE 62 -7.218 -1.763 2.088 1168 HE2 PHE 62 HE1 PHE 62 -10.700 -3.951 3.216 1169 HZ PHE 62 HZ PHE 62 -9.571 -1.801 2.813 1170 H GLY 63 H GLY 63 -7.092 -9.021 3.903 1171 HA2 GLY 63 2HA GLY 63 -8.602 -8.203 6.107 1172 HA3 GLY 63 1HA GLY 63 -8.078 -9.848 5.778 1173 H VAL 64 H VAL 64 -5.350 -9.714 6.027 1174 HA VAL 64 HA VAL 64 -4.824 -9.722 8.791 1175 HB VAL 64 HB VAL 64 -2.855 -9.476 6.469 1176 HG11 VAL 64 1HG1 VAL 64 -1.777 -8.722 8.545 1177 HG12 VAL 64 2HG1 VAL 64 -1.103 -10.262 8.021 1178 HG13 VAL 64 3HG1 VAL 64 -2.256 -10.218 9.357 1179 HG21 VAL 64 3HG2 VAL 64 -3.681 -11.947 8.035 1180 HG22 VAL 64 1HG2 VAL 64 -2.527 -11.897 6.702 1181 HG23 VAL 64 2HG2 VAL 64 -4.230 -11.539 6.411 1182 H LEU 65 H LEU 65 -4.340 -7.218 6.289 1183 HA LEU 65 HA LEU 65 -2.951 -5.291 7.754 1184 HB2 LEU 65 2HB LEU 65 -3.365 -5.372 5.235 1185 HB3 LEU 65 1HB LEU 65 -4.996 -4.810 5.545 1186 HG LEU 65 HG LEU 65 -3.921 -2.708 6.606 1187 HD11 LEU 65 1HD1 LEU 65 -1.675 -3.605 6.959 1188 HD12 LEU 65 2HD1 LEU 65 -1.636 -2.167 5.944 1189 HD13 LEU 65 3HD1 LEU 65 -1.440 -3.763 5.215 1190 HD21 LEU 65 3HD2 LEU 65 -3.583 -1.633 4.418 1191 HD22 LEU 65 1HD2 LEU 65 -4.994 -2.690 4.385 1192 HD23 LEU 65 2HD2 LEU 65 -3.483 -3.211 3.635 1193 H LEU 66 H LEU 66 -6.498 -5.639 7.163 1194 HA LEU 66 HA LEU 66 -7.454 -3.496 8.644 1195 HB2 LEU 66 2HB LEU 66 -8.745 -6.208 8.135 1196 HB3 LEU 66 1HB LEU 66 -9.590 -4.838 8.800 1197 HG LEU 66 HG LEU 66 -8.437 -5.035 6.000 1198 HD11 LEU 66 1HD1 LEU 66 -10.780 -4.866 5.260 1199 HD12 LEU 66 2HD1 LEU 66 -11.322 -4.859 6.940 1200 HD13 LEU 66 3HD1 LEU 66 -10.521 -6.285 6.275 1201 HD21 LEU 66 3HD2 LEU 66 -9.793 -2.655 7.323 1202 HD22 LEU 66 1HD2 LEU 66 -9.421 -2.788 5.600 1203 HD23 LEU 66 2HD2 LEU 66 -8.116 -2.752 6.780 1204 H LYS 67 H LYS 67 -6.837 -6.842 9.681 1205 HA LYS 67 HA LYS 67 -7.801 -6.758 12.322 1206 HB2 LYS 67 2HB LYS 67 -5.590 -8.398 11.031 1207 HB3 LYS 67 1HB LYS 67 -6.115 -8.665 12.689 1208 HG2 LYS 67 2HG LYS 67 -8.250 -9.458 12.011 1209 HG3 LYS 67 1HG LYS 67 -8.043 -8.849 10.363 1210 HD2 LYS 67 2HD LYS 67 -7.738 -11.391 10.680 1211 HD3 LYS 67 1HD LYS 67 -6.452 -10.550 9.812 1212 HE2 LYS 67 2HE LYS 67 -5.095 -10.500 11.872 1213 HE3 LYS 67 1HE LYS 67 -6.372 -11.349 12.744 1214 HZ1 LYS 67 3HZ LYS 67 -6.053 -13.233 11.266 1215 HZ2 LYS 67 1HZ LYS 67 -4.610 -12.844 12.048 1216 HZ3 LYS 67 2HZ LYS 67 -4.843 -12.415 10.429 1217 H GLU 68 H GLU 68 -4.438 -6.450 11.179 1218 HA GLU 68 HA GLU 68 -3.397 -6.058 13.793 1219 HB2 GLU 68 2HB GLU 68 -2.002 -5.539 11.150 1220 HB3 GLU 68 1HB GLU 68 -1.237 -5.787 12.709 1221 HG2 GLU 68 2HG GLU 68 -2.709 -7.823 11.036 1222 HG3 GLU 68 1HG GLU 68 -0.992 -7.791 11.410 1223 H LEU 69 H LEU 69 -4.005 -3.823 11.031 1224 HA LEU 69 HA LEU 69 -3.238 -1.404 12.255 1225 HB2 LEU 69 2HB LEU 69 -5.487 -1.892 10.248 1226 HB3 LEU 69 1HB LEU 69 -4.999 -0.288 10.772 1227 HG LEU 69 HG LEU 69 -3.319 -2.245 9.164 1228 HD11 LEU 69 1HD1 LEU 69 -4.543 0.421 8.399 1229 HD12 LEU 69 2HD1 LEU 69 -5.078 -1.173 7.860 1230 HD13 LEU 69 3HD1 LEU 69 -3.495 -0.569 7.378 1231 HD21 LEU 69 3HD2 LEU 69 -2.556 0.523 10.142 1232 HD22 LEU 69 1HD2 LEU 69 -1.635 -0.480 9.020 1233 HD23 LEU 69 2HD2 LEU 69 -1.860 -1.008 10.684 1234 H GLY 70 H GLY 70 -6.337 -3.160 12.297 1235 HA2 GLY 70 2HA GLY 70 -7.942 -1.445 13.783 1236 HA3 GLY 70 1HA GLY 70 -8.087 -3.192 13.767 1237 H ASN 71 H ASN 71 -5.576 -3.794 14.927 1238 HA ASN 71 HA ASN 71 -5.995 -3.394 17.752 1239 HB2 ASN 71 2HB ASN 71 -3.523 -4.431 16.273 1240 HB3 ASN 71 1HB ASN 71 -3.769 -4.526 18.018 1241 HD21 ASN 71 1HD2 ASN 71 -3.461 -6.626 15.899 1242 HD22 ASN 71 2HD2 ASN 71 -4.803 -7.681 16.152 1243 H LYS 72 H LYS 72 -3.458 -2.305 15.565 1244 HA LYS 72 HA LYS 72 -2.214 -0.334 17.087 1245 HB2 LYS 72 2HB LYS 72 -2.509 -0.364 14.050 1246 HB3 LYS 72 1HB LYS 72 -1.293 0.541 14.953 1247 HG2 LYS 72 2HG LYS 72 -0.282 -1.545 15.753 1248 HG3 LYS 72 1HG LYS 72 -1.546 -2.482 14.959 1249 HD2 LYS 72 2HD LYS 72 0.388 -2.618 13.553 1250 HD3 LYS 72 1HD LYS 72 -0.743 -1.531 12.743 1251 HE2 LYS 72 2HE LYS 72 1.578 -0.696 12.649 1252 HE3 LYS 72 1HE LYS 72 0.534 0.410 13.548 1253 HZ1 LYS 72 3HZ LYS 72 2.408 -1.582 14.717 1254 HZ2 LYS 72 1HZ LYS 72 1.370 -0.591 15.608 1255 HZ3 LYS 72 2HZ LYS 72 2.614 0.094 14.699 1256 H LEU 73 H LEU 73 -5.412 -0.119 15.827 1257 HA LEU 73 HA LEU 73 -5.573 2.762 15.806 1258 HB2 LEU 73 2HB LEU 73 -7.689 0.583 15.637 1259 HB3 LEU 73 1HB LEU 73 -8.097 2.294 15.655 1260 HG LEU 73 HG LEU 73 -6.465 0.858 13.528 1261 HD11 LEU 73 1HD1 LEU 73 -8.288 1.428 11.994 1262 HD12 LEU 73 2HD1 LEU 73 -9.204 2.127 13.330 1263 HD13 LEU 73 3HD1 LEU 73 -8.845 0.399 13.316 1264 HD21 LEU 73 3HD2 LEU 73 -5.537 3.078 13.868 1265 HD22 LEU 73 1HD2 LEU 73 -7.139 3.807 13.710 1266 HD23 LEU 73 2HD2 LEU 73 -6.386 3.003 12.330 1267 H GLU 74 H GLU 74 -5.027 0.850 18.350 1268 HA GLU 74 HA GLU 74 -6.614 2.098 20.378 1269 HB2 GLU 74 2HB GLU 74 -3.810 0.889 20.447 1270 HB3 GLU 74 1HB GLU 74 -4.598 1.544 21.885 1271 HG2 GLU 74 2HG GLU 74 -6.417 -0.079 21.669 1272 HG3 GLU 74 1HG GLU 74 -5.715 -0.704 20.182 1273 H HIS 75 H HIS 75 -3.498 2.820 18.822 1274 HA HIS 75 HA HIS 75 -2.309 4.686 18.458 1275 HB2 HIS 75 2HB HIS 75 -4.313 4.634 16.880 1276 HB3 HIS 75 1HB HIS 75 -5.058 5.863 17.890 1277 HD1 HIS 75 HD1 HIS 75 -2.044 5.351 15.641 1278 HD2 HIS 75 HD2 HIS 75 -4.278 8.440 17.297 1279 HE1 HIS 75 HE1 HIS 75 -1.182 7.454 14.575 1280 HE2 HIS 75 HE2 HIS 75 -2.543 9.305 15.601 1281 H HIS 76 H HIS 76 -2.898 4.457 21.243 1282 HA HIS 76 HA HIS 76 -2.424 5.542 23.155 1283 HB2 HIS 76 2HB HIS 76 -1.181 7.518 21.186 1284 HB3 HIS 76 1HB HIS 76 -0.927 7.588 22.928 1285 HD1 HIS 76 HD1 HIS 76 1.649 7.288 22.123 1286 HD2 HIS 76 HD2 HIS 76 -0.793 3.956 21.690 1287 HE1 HIS 76 HE1 HIS 76 3.210 5.341 21.858 1288 HE2 HIS 76 HE2 HIS 76 1.708 3.370 21.435 1289 H HIS 77 H HIS 77 -2.417 8.596 23.481 1290 HA HIS 77 HA HIS 77 -5.164 8.840 24.251 1291 HB2 HIS 77 2HB HIS 77 -3.225 9.882 25.490 1292 HB3 HIS 77 1HB HIS 77 -3.031 11.020 24.165 1293 HD1 HIS 77 HD1 HIS 77 -3.548 13.078 25.554 1294 HD2 HIS 77 HD2 HIS 77 -6.594 10.269 25.705 1295 HE1 HIS 77 HE1 HIS 77 -5.469 14.240 26.656 1296 HE2 HIS 77 HE2 HIS 77 -7.357 12.586 26.548 1297 H HIS 78 H HIS 78 -3.611 9.396 21.278 1298 HA HIS 78 HA HIS 78 -4.355 9.930 19.218 1299 HB2 HIS 78 2HB HIS 78 -7.065 10.639 20.434 1300 HB3 HIS 78 1HB HIS 78 -6.719 10.449 18.719 1301 HD1 HIS 78 HD1 HIS 78 -7.533 8.556 21.778 1302 HD2 HIS 78 HD2 HIS 78 -6.333 7.734 17.891 1303 HE1 HIS 78 HE1 HIS 78 -7.959 6.103 21.456 1304 HE2 HIS 78 HE2 HIS 78 -7.219 5.627 19.099 1305 H HIS 79 H HIS 79 -5.984 12.324 21.317 1306 HA HIS 79 HA HIS 79 -4.271 14.508 20.311 1307 HB2 HIS 79 2HB HIS 79 -6.424 14.393 18.946 1308 HB3 HIS 79 1HB HIS 79 -7.328 14.676 20.427 1309 HD1 HIS 79 HD1 HIS 79 -7.670 17.090 21.093 1310 HD2 HIS 79 HD2 HIS 79 -4.770 16.649 18.149 1311 HE1 HIS 79 HE1 HIS 79 -7.098 19.422 20.354 1312 HE2 HIS 79 HE2 HIS 79 -5.516 19.103 18.428 1313 H HIS 80 H HIS 80 -4.906 16.594 21.740 1314 HA HIS 80 HA HIS 80 -5.972 16.132 24.344 1315 HB2 HIS 80 2HB HIS 80 -3.993 16.629 25.720 1316 HB3 HIS 80 1HB HIS 80 -3.728 15.164 24.782 1317 HD1 HIS 80 HD1 HIS 80 -2.193 18.333 25.640 1318 HD2 HIS 80 HD2 HIS 80 -1.949 15.662 22.465 1319 HE1 HIS 80 HE1 HIS 80 -0.040 18.871 24.465 1320 HE2 HIS 80 HE2 HIS 80 0.054 17.291 22.509 Start of MODEL 20 1 H1 MET 1 1H MET 1 19.585 15.909 -5.298 2 H2 MET 1 2H MET 1 18.250 15.233 -6.073 3 H3 MET 1 3H MET 1 18.884 16.697 -6.614 4 HA MET 1 HA MET 1 19.493 14.888 -8.063 5 HB2 MET 1 2HB MET 1 21.790 16.132 -6.488 6 HB3 MET 1 1HB MET 1 21.996 15.294 -8.024 7 HG2 MET 1 2HG MET 1 21.983 17.693 -8.387 8 HG3 MET 1 1HG MET 1 20.544 16.977 -9.120 9 HE1 MET 1 3HE MET 1 19.286 20.529 -7.884 10 HE2 MET 1 1HE MET 1 19.485 19.476 -9.283 11 HE3 MET 1 2HE MET 1 20.902 20.165 -8.488 12 H ALA 2 H ALA 2 18.775 13.621 -5.377 13 HA ALA 2 HA ALA 2 20.852 11.779 -4.676 14 HB1 ALA 2 3HB ALA 2 17.880 11.663 -4.031 15 HB2 ALA 2 1HB ALA 2 19.119 12.454 -3.054 16 HB3 ALA 2 2HB ALA 2 19.143 10.702 -3.256 17 H ASP 3 H ASP 3 21.518 10.627 -6.449 18 HA ASP 3 HA ASP 3 19.833 9.290 -8.338 19 HB2 ASP 3 2HB ASP 3 22.767 8.706 -7.710 20 HB3 ASP 3 1HB ASP 3 21.904 8.265 -9.183 21 H LYS 4 H LYS 4 21.994 8.072 -5.780 22 HA LYS 4 HA LYS 4 20.402 5.621 -5.470 23 HB2 LYS 4 2HB LYS 4 22.880 5.405 -5.608 24 HB3 LYS 4 1HB LYS 4 23.057 6.456 -4.209 25 HG2 LYS 4 2HG LYS 4 21.843 4.758 -2.819 26 HG3 LYS 4 1HG LYS 4 21.764 3.702 -4.235 27 HD2 LYS 4 2HD LYS 4 23.625 3.011 -2.801 28 HD3 LYS 4 1HD LYS 4 24.259 3.653 -4.318 29 HE2 LYS 4 2HE LYS 4 24.695 5.831 -3.167 30 HE3 LYS 4 1HE LYS 4 24.138 5.113 -1.655 31 HZ1 LYS 4 3HZ LYS 4 26.541 5.079 -1.817 32 HZ2 LYS 4 1HZ LYS 4 26.472 4.184 -3.246 33 HZ3 LYS 4 2HZ LYS 4 25.937 3.504 -1.795 34 H LEU 5 H LEU 5 18.940 5.539 -3.900 35 HA LEU 5 HA LEU 5 18.723 7.605 -1.850 36 HB2 LEU 5 2HB LEU 5 16.893 5.234 -2.418 37 HB3 LEU 5 1HB LEU 5 16.549 6.570 -1.330 38 HG LEU 5 HG LEU 5 16.704 6.684 -4.367 39 HD11 LEU 5 1HD1 LEU 5 14.642 5.699 -3.486 40 HD12 LEU 5 2HD1 LEU 5 14.328 7.262 -4.232 41 HD13 LEU 5 3HD1 LEU 5 14.379 7.122 -2.471 42 HD21 LEU 5 3HD2 LEU 5 16.249 8.994 -2.447 43 HD22 LEU 5 1HD2 LEU 5 16.085 9.063 -4.203 44 HD23 LEU 5 2HD2 LEU 5 17.661 8.758 -3.479 45 H LYS 6 H LYS 6 18.444 6.971 0.374 46 HA LYS 6 HA LYS 6 19.729 4.410 1.150 47 HB2 LYS 6 2HB LYS 6 19.581 7.007 2.752 48 HB3 LYS 6 1HB LYS 6 20.286 5.504 3.323 49 HG2 LYS 6 2HG LYS 6 21.322 7.249 1.073 50 HG3 LYS 6 1HG LYS 6 22.036 7.065 2.672 51 HD2 LYS 6 2HD LYS 6 21.806 4.877 0.570 52 HD3 LYS 6 1HD LYS 6 23.267 5.782 0.949 53 HE2 LYS 6 2HE LYS 6 23.372 4.803 3.170 54 HE3 LYS 6 1HE LYS 6 21.802 4.023 2.948 55 HZ1 LYS 6 3HZ LYS 6 22.741 2.640 1.222 56 HZ2 LYS 6 1HZ LYS 6 23.677 2.490 2.620 57 HZ3 LYS 6 2HZ LYS 6 24.231 3.428 1.332 58 H PHE 7 H PHE 7 18.608 3.227 2.819 59 HA PHE 7 HA PHE 7 16.088 4.302 3.845 60 HB2 PHE 7 2HB PHE 7 14.950 2.106 3.393 61 HB3 PHE 7 1HB PHE 7 15.364 2.967 1.925 62 HD1 PHE 7 HD1 PHE 7 17.150 2.098 0.407 63 HD2 PHE 7 HD2 PHE 7 15.977 -0.067 3.914 64 HE1 PHE 7 HE1 PHE 7 18.271 0.077 -0.454 65 HE2 PHE 7 HE2 PHE 7 17.102 -2.072 3.045 66 HZ PHE 7 HZ PHE 7 18.250 -2.006 0.867 67 H GLU 8 H GLU 8 15.754 3.711 5.960 68 HA GLU 8 HA GLU 8 17.326 1.493 7.111 69 HB2 GLU 8 2HB GLU 8 18.387 3.557 7.893 70 HB3 GLU 8 1HB GLU 8 16.828 4.266 8.304 71 HG2 GLU 8 2HG GLU 8 16.519 2.679 10.120 72 HG3 GLU 8 1HG GLU 8 17.965 1.792 9.653 73 H ILE 9 H ILE 9 15.921 0.023 7.959 74 HA ILE 9 HA ILE 9 13.086 0.602 8.001 75 HB ILE 9 HB ILE 9 14.574 -1.935 8.861 76 HG12 ILE 9 2HG1 ILE 9 13.086 -1.309 6.259 77 HG13 ILE 9 1HG1 ILE 9 14.835 -1.363 6.430 78 HG21 ILE 9 1HG2 ILE 9 12.366 -3.065 8.751 79 HG22 ILE 9 2HG2 ILE 9 11.592 -1.525 8.377 80 HG23 ILE 9 3HG2 ILE 9 12.349 -1.768 9.952 81 HD11 ILE 9 3HD1 ILE 9 14.019 -3.361 5.375 82 HD12 ILE 9 1HD1 ILE 9 12.942 -3.691 6.732 83 HD13 ILE 9 2HD1 ILE 9 14.692 -3.757 6.955 84 H ILE 10 H ILE 10 12.275 1.677 9.612 85 HA ILE 10 HA ILE 10 13.624 2.089 12.141 86 HB ILE 10 HB ILE 10 10.954 3.151 11.110 87 HG12 ILE 10 2HG1 ILE 10 12.741 3.920 9.659 88 HG13 ILE 10 1HG1 ILE 10 12.267 5.271 10.678 89 HG21 ILE 10 1HG2 ILE 10 11.031 3.274 13.558 90 HG22 ILE 10 2HG2 ILE 10 11.146 4.889 12.860 91 HG23 ILE 10 3HG2 ILE 10 12.593 4.098 13.493 92 HD11 ILE 10 3HD1 ILE 10 14.648 5.245 10.454 93 HD12 ILE 10 1HD1 ILE 10 14.738 3.562 10.971 94 HD13 ILE 10 2HD1 ILE 10 14.251 4.814 12.115 95 H GLU 11 H GLU 11 10.725 0.460 10.903 96 HA GLU 11 HA GLU 11 10.695 -1.435 13.079 97 HB2 GLU 11 2HB GLU 11 9.543 0.521 14.162 98 HB3 GLU 11 1HB GLU 11 8.341 0.516 12.879 99 HG2 GLU 11 2HG GLU 11 7.483 -0.506 14.942 100 HG3 GLU 11 1HG GLU 11 7.516 -1.664 13.616 101 H GLU 12 H GLU 12 9.322 -3.212 12.599 102 HA GLU 12 HA GLU 12 8.018 -3.261 9.932 103 HB2 GLU 12 2HB GLU 12 8.734 -5.579 11.785 104 HB3 GLU 12 1HB GLU 12 7.895 -5.739 10.246 105 HG2 GLU 12 2HG GLU 12 9.930 -4.788 9.107 106 HG3 GLU 12 1HG GLU 12 10.749 -4.822 10.675 107 H LEU 13 H LEU 13 5.825 -3.432 9.829 108 HA LEU 13 HA LEU 13 4.401 -3.069 12.409 109 HB2 LEU 13 2HB LEU 13 3.485 -2.278 9.617 110 HB3 LEU 13 1HB LEU 13 2.675 -1.893 11.127 111 HG LEU 13 HG LEU 13 5.331 -0.781 10.146 112 HD11 LEU 13 1HD1 LEU 13 4.162 1.386 10.178 113 HD12 LEU 13 2HD1 LEU 13 2.667 0.579 10.654 114 HD13 LEU 13 3HD1 LEU 13 3.398 0.238 9.085 115 HD21 LEU 13 3HD2 LEU 13 5.411 0.591 12.192 116 HD22 LEU 13 1HD2 LEU 13 5.527 -1.129 12.556 117 HD23 LEU 13 2HD2 LEU 13 4.010 -0.270 12.835 118 H ILE 14 H ILE 14 3.755 -4.493 9.176 119 HA ILE 14 HA ILE 14 2.152 -6.673 10.374 120 HB ILE 14 HB ILE 14 1.027 -4.911 8.127 121 HG12 ILE 14 2HG1 ILE 14 0.111 -4.881 11.040 122 HG13 ILE 14 1HG1 ILE 14 1.096 -3.630 10.297 123 HG21 ILE 14 1HG2 ILE 14 -0.288 -7.100 9.778 124 HG22 ILE 14 2HG2 ILE 14 0.236 -7.241 8.099 125 HG23 ILE 14 3HG2 ILE 14 -1.078 -6.143 8.523 126 HD11 ILE 14 3HD1 ILE 14 -1.726 -4.347 9.500 127 HD12 ILE 14 1HD1 ILE 14 -0.728 -3.083 8.775 128 HD13 ILE 14 2HD1 ILE 14 -1.220 -2.958 10.462 129 H VAL 15 H VAL 15 3.013 -8.518 9.404 130 HA VAL 15 HA VAL 15 3.998 -8.416 6.645 131 HB VAL 15 HB VAL 15 3.752 -10.858 8.469 132 HG11 VAL 15 1HG1 VAL 15 5.326 -10.498 5.883 133 HG12 VAL 15 2HG1 VAL 15 3.867 -11.471 6.086 134 HG13 VAL 15 3HG1 VAL 15 5.354 -11.932 6.915 135 HG21 VAL 15 3HG2 VAL 15 6.191 -9.104 7.974 136 HG22 VAL 15 1HG2 VAL 15 6.181 -10.615 8.890 137 HG23 VAL 15 2HG2 VAL 15 5.277 -9.218 9.480 138 H LEU 16 H LEU 16 2.666 -8.709 4.962 139 HA LEU 16 HA LEU 16 -0.153 -9.393 5.444 140 HB2 LEU 16 2HB LEU 16 1.190 -8.274 2.948 141 HB3 LEU 16 1HB LEU 16 -0.542 -8.449 3.193 142 HG LEU 16 HG LEU 16 1.282 -6.601 4.778 143 HD11 LEU 16 1HD1 LEU 16 -0.802 -5.939 2.678 144 HD12 LEU 16 2HD1 LEU 16 0.948 -5.778 2.509 145 HD13 LEU 16 3HD1 LEU 16 0.082 -4.766 3.663 146 HD21 LEU 16 3HD2 LEU 16 -0.756 -5.744 5.804 147 HD22 LEU 16 1HD2 LEU 16 -0.542 -7.454 6.157 148 HD23 LEU 16 2HD2 LEU 16 -1.722 -6.945 4.944 149 H SER 17 H SER 17 2.708 -10.610 3.798 150 HA SER 17 HA SER 17 1.756 -13.189 3.312 151 HB2 SER 17 2HB SER 17 0.277 -12.077 1.622 152 HB3 SER 17 1HB SER 17 1.699 -11.457 0.793 153 HG SER 17 HG SER 17 0.795 -13.409 -0.107 154 H GLU 18 H GLU 18 3.160 -14.431 1.964 155 HA GLU 18 HA GLU 18 5.932 -13.436 1.621 156 HB2 GLU 18 2HB GLU 18 5.892 -14.671 3.731 157 HB3 GLU 18 1HB GLU 18 5.032 -16.018 2.992 158 HG2 GLU 18 2HG GLU 18 6.998 -16.548 1.620 159 HG3 GLU 18 1HG GLU 18 7.859 -15.161 2.280 160 H ASN 19 H ASN 19 6.921 -14.181 -0.246 161 HA ASN 19 HA ASN 19 5.107 -15.450 -2.223 162 HB2 ASN 19 2HB ASN 19 6.347 -13.303 -2.685 163 HB3 ASN 19 1HB ASN 19 7.856 -14.200 -2.634 164 HD21 ASN 19 1HD2 ASN 19 8.347 -13.531 -4.698 165 HD22 ASN 19 2HD2 ASN 19 7.581 -14.184 -6.098 166 H ALA 20 H ALA 20 6.217 -16.988 -3.896 167 HA ALA 20 HA ALA 20 7.189 -19.336 -2.720 168 HB1 ALA 20 3HB ALA 20 7.450 -18.450 -5.615 169 HB2 ALA 20 1HB ALA 20 6.068 -19.285 -4.905 170 HB3 ALA 20 2HB ALA 20 7.625 -20.104 -5.021 171 H LYS 21 H LYS 21 9.042 -16.901 -4.660 172 HA LYS 21 HA LYS 21 11.600 -17.777 -3.746 173 HB2 LYS 21 2HB LYS 21 10.717 -15.143 -4.983 174 HB3 LYS 21 1HB LYS 21 12.396 -15.539 -4.650 175 HG2 LYS 21 2HG LYS 21 10.561 -16.996 -6.577 176 HG3 LYS 21 1HG LYS 21 11.877 -15.907 -7.008 177 HD2 LYS 21 2HD LYS 21 12.187 -18.581 -5.582 178 HD3 LYS 21 1HD LYS 21 12.510 -18.288 -7.290 179 HE2 LYS 21 2HE LYS 21 13.994 -16.975 -4.986 180 HE3 LYS 21 1HE LYS 21 14.583 -18.342 -5.928 181 HZ1 LYS 21 3HZ LYS 21 14.526 -16.927 -7.908 182 HZ2 LYS 21 1HZ LYS 21 15.556 -16.315 -6.718 183 HZ3 LYS 21 2HZ LYS 21 14.040 -15.610 -6.963 184 H GLY 22 H GLY 22 9.213 -16.345 -1.961 185 HA2 GLY 22 2HA GLY 22 9.521 -16.196 0.384 186 HA3 GLY 22 1HA GLY 22 11.121 -15.519 0.131 187 H TRP 23 H TRP 23 9.940 -13.813 -2.083 188 HA TRP 23 HA TRP 23 10.160 -11.404 -0.903 189 HB2 TRP 23 2HB TRP 23 8.538 -12.185 -3.345 190 HB3 TRP 23 1HB TRP 23 8.698 -10.504 -2.852 191 HD1 TRP 23 HD1 TRP 23 11.190 -13.432 -3.550 192 HE1 TRP 23 HE1 TRP 23 13.186 -12.470 -4.827 193 HE3 TRP 23 HE3 TRP 23 9.741 -8.513 -3.759 194 HZ2 TRP 23 HZ2 TRP 23 14.027 -9.976 -5.844 195 HZ3 TRP 23 HZ3 TRP 23 11.204 -6.901 -4.921 196 HH2 TRP 23 HH2 TRP 23 13.310 -7.624 -5.940 197 H ARG 24 H ARG 24 9.115 -10.466 0.763 198 HA ARG 24 HA ARG 24 6.434 -11.411 1.491 199 HB2 ARG 24 2HB ARG 24 8.658 -10.103 3.113 200 HB3 ARG 24 1HB ARG 24 7.034 -10.381 3.746 201 HG2 ARG 24 2HG ARG 24 7.330 -12.815 3.380 202 HG3 ARG 24 1HG ARG 24 8.977 -12.519 2.815 203 HD2 ARG 24 2HD ARG 24 9.664 -11.731 4.979 204 HD3 ARG 24 1HD ARG 24 7.994 -11.688 5.564 205 HE ARG 24 HE ARG 24 9.005 -14.292 4.725 206 HH11 ARG 24 1HH1 ARG 24 8.430 -12.118 7.422 207 HH12 ARG 24 2HH1 ARG 24 8.469 -13.380 8.609 208 HH21 ARG 24 1HH2 ARG 24 8.992 -15.953 6.287 209 HH22 ARG 24 2HH2 ARG 24 8.791 -15.557 7.967 210 H LYS 25 H LYS 25 4.833 -10.086 0.901 211 HA LYS 25 HA LYS 25 5.351 -7.210 0.609 212 HB2 LYS 25 2HB LYS 25 3.098 -6.969 -0.208 213 HB3 LYS 25 1HB LYS 25 3.850 -8.312 -1.050 214 HG2 LYS 25 2HG LYS 25 2.531 -9.915 0.166 215 HG3 LYS 25 1HG LYS 25 1.938 -8.668 1.269 216 HD2 LYS 25 2HD LYS 25 0.200 -9.193 -0.342 217 HD3 LYS 25 1HD LYS 25 0.781 -7.556 -0.637 218 HE2 LYS 25 2HE LYS 25 0.456 -8.689 -2.752 219 HE3 LYS 25 1HE LYS 25 2.187 -8.449 -2.506 220 HZ1 LYS 25 3HZ LYS 25 0.699 -10.966 -1.992 221 HZ2 LYS 25 1HZ LYS 25 2.360 -10.743 -1.789 222 HZ3 LYS 25 2HZ LYS 25 1.681 -10.660 -3.333 223 H GLU 26 H GLU 26 5.331 -6.031 2.330 224 HA GLU 26 HA GLU 26 3.356 -6.447 4.458 225 HB2 GLU 26 2HB GLU 26 5.157 -6.424 6.186 226 HB3 GLU 26 1HB GLU 26 5.193 -7.832 5.143 227 HG2 GLU 26 2HG GLU 26 7.442 -7.370 5.295 228 HG3 GLU 26 1HG GLU 26 7.044 -6.481 3.833 229 H LEU 27 H LEU 27 3.479 -4.762 6.109 230 HA LEU 27 HA LEU 27 4.068 -2.087 5.033 231 HB2 LEU 27 2HB LEU 27 1.691 -2.579 5.612 232 HB3 LEU 27 1HB LEU 27 2.173 -3.027 7.238 233 HG LEU 27 HG LEU 27 2.931 -0.628 7.590 234 HD11 LEU 27 1HD1 LEU 27 1.508 -0.103 4.968 235 HD12 LEU 27 2HD1 LEU 27 3.236 0.079 5.279 236 HD13 LEU 27 3HD1 LEU 27 2.081 1.127 6.099 237 HD21 LEU 27 3HD2 LEU 27 0.679 0.233 7.990 238 HD22 LEU 27 1HD2 LEU 27 0.799 -1.460 8.466 239 HD23 LEU 27 2HD2 LEU 27 -0.005 -1.024 6.956 240 H ASN 28 H ASN 28 5.831 -1.204 5.910 241 HA ASN 28 HA ASN 28 6.519 -1.574 8.760 242 HB2 ASN 28 2HB ASN 28 8.880 -1.856 8.267 243 HB3 ASN 28 1HB ASN 28 7.992 -3.077 7.382 244 HD21 ASN 28 1HD2 ASN 28 7.227 -1.225 5.170 245 HD22 ASN 28 2HD2 ASN 28 8.670 -0.955 4.280 246 H ARG 29 H ARG 29 7.981 0.217 9.537 247 HA ARG 29 HA ARG 29 7.496 2.746 8.095 248 HB2 ARG 29 2HB ARG 29 8.455 2.303 10.965 249 HB3 ARG 29 1HB ARG 29 8.216 3.872 10.197 250 HG2 ARG 29 2HG ARG 29 5.782 3.284 9.900 251 HG3 ARG 29 1HG ARG 29 6.078 1.827 10.851 252 HD2 ARG 29 2HD ARG 29 5.127 3.546 12.273 253 HD3 ARG 29 1HD ARG 29 6.796 3.252 12.762 254 HE ARG 29 HE ARG 29 5.875 5.589 11.179 255 HH11 ARG 29 1HH1 ARG 29 8.100 4.215 13.524 256 HH12 ARG 29 2HH1 ARG 29 8.924 5.718 13.794 257 HH21 ARG 29 1HH2 ARG 29 7.005 7.534 11.498 258 HH22 ARG 29 2HH2 ARG 29 8.305 7.590 12.647 259 H VAL 30 H VAL 30 9.118 3.610 7.024 260 HA VAL 30 HA VAL 30 11.926 2.762 7.489 261 HB VAL 30 HB VAL 30 10.666 3.396 4.761 262 HG11 VAL 30 1HG1 VAL 30 13.439 2.328 5.410 263 HG12 VAL 30 2HG1 VAL 30 13.058 3.954 4.838 264 HG13 VAL 30 3HG1 VAL 30 12.776 2.565 3.789 265 HG21 VAL 30 3HG2 VAL 30 10.894 1.001 4.218 266 HG22 VAL 30 1HG2 VAL 30 9.802 1.250 5.585 267 HG23 VAL 30 2HG2 VAL 30 11.446 0.674 5.864 268 H SER 31 H SER 31 13.492 4.371 7.162 269 HA SER 31 HA SER 31 12.591 7.176 6.885 270 HB2 SER 31 2HB SER 31 13.715 6.696 9.067 271 HB3 SER 31 1HB SER 31 15.134 6.095 8.202 272 HG SER 31 HG SER 31 14.058 8.724 8.087 273 H TRP 32 H TRP 32 13.121 8.000 4.916 274 HA TRP 32 HA TRP 32 14.992 6.492 3.191 275 HB2 TRP 32 2HB TRP 32 12.741 8.439 2.522 276 HB3 TRP 32 1HB TRP 32 13.870 7.822 1.319 277 HD1 TRP 32 HD1 TRP 32 10.737 6.842 3.228 278 HE1 TRP 32 HE1 TRP 32 9.915 4.563 2.374 279 HE3 TRP 32 HE3 TRP 32 14.821 5.487 0.433 280 HZ2 TRP 32 HZ2 TRP 32 10.898 2.424 0.811 281 HZ3 TRP 32 HZ3 TRP 32 14.796 3.304 -0.709 282 HH2 TRP 32 HH2 TRP 32 12.872 1.802 -0.525 283 H ASN 33 H ASN 33 16.937 7.275 3.057 284 HA ASN 33 HA ASN 33 18.794 8.562 3.084 285 HB2 ASN 33 2HB ASN 33 16.891 10.706 2.040 286 HB3 ASN 33 1HB ASN 33 18.649 10.831 2.012 287 HD21 ASN 33 1HD2 ASN 33 15.865 9.235 0.658 288 HD22 ASN 33 2HD2 ASN 33 16.655 8.604 -0.740 289 H ASP 34 H ASP 34 17.488 8.232 5.492 290 HA ASP 34 HA ASP 34 17.182 8.899 7.606 291 HB2 ASP 34 2HB ASP 34 19.699 9.132 7.282 292 HB3 ASP 34 1HB ASP 34 19.456 10.855 7.038 293 H ALA 35 H ALA 35 15.390 10.146 5.800 294 HA ALA 35 HA ALA 35 14.934 12.875 6.820 295 HB1 ALA 35 3HB ALA 35 13.126 12.924 5.140 296 HB2 ALA 35 1HB ALA 35 13.431 11.228 4.751 297 HB3 ALA 35 2HB ALA 35 14.663 12.447 4.419 298 H GLU 36 H GLU 36 12.211 13.014 6.930 299 HA GLU 36 HA GLU 36 11.180 12.052 9.242 300 HB2 GLU 36 2HB GLU 36 9.676 12.419 6.614 301 HB3 GLU 36 1HB GLU 36 8.871 12.162 8.157 302 HG2 GLU 36 2HG GLU 36 9.889 14.250 9.025 303 HG3 GLU 36 1HG GLU 36 10.643 14.525 7.455 304 HA PRO 37 HA PRO 37 10.891 7.476 8.575 305 HB2 PRO 37 2HB PRO 37 9.859 7.651 11.403 306 HB3 PRO 37 1HB PRO 37 11.145 6.623 10.732 307 HG2 PRO 37 2HG PRO 37 11.767 8.689 12.289 308 HG3 PRO 37 1HG PRO 37 12.764 8.296 10.868 309 HD2 PRO 37 2HD PRO 37 10.663 10.450 11.153 310 HD3 PRO 37 1HD PRO 37 12.279 10.539 10.411 311 H LYS 38 H LYS 38 9.098 6.644 7.617 312 HA LYS 38 HA LYS 38 6.421 7.460 8.392 313 HB2 LYS 38 2HB LYS 38 5.857 8.145 6.006 314 HB3 LYS 38 1HB LYS 38 6.861 9.281 6.905 315 HG2 LYS 38 2HG LYS 38 8.854 8.483 5.681 316 HG3 LYS 38 1HG LYS 38 7.850 7.314 4.812 317 HD2 LYS 38 2HD LYS 38 8.248 9.310 3.414 318 HD3 LYS 38 1HD LYS 38 6.538 9.160 3.814 319 HE2 LYS 38 2HE LYS 38 6.880 10.835 5.663 320 HE3 LYS 38 1HE LYS 38 8.536 11.055 5.097 321 HZ1 LYS 38 3HZ LYS 38 7.710 11.857 3.008 322 HZ2 LYS 38 1HZ LYS 38 7.005 12.748 4.251 323 HZ3 LYS 38 2HZ LYS 38 6.108 11.556 3.454 324 H TYR 39 H TYR 39 4.828 6.395 6.732 325 HA TYR 39 HA TYR 39 5.339 3.601 7.261 326 HB2 TYR 39 2HB TYR 39 2.817 4.966 6.240 327 HB3 TYR 39 1HB TYR 39 2.934 3.357 6.954 328 HD1 TYR 39 HD2 TYR 39 3.223 3.095 9.412 329 HD2 TYR 39 HD1 TYR 39 2.914 6.991 7.672 330 HE1 TYR 39 HE2 TYR 39 2.817 4.075 11.634 331 HE2 TYR 39 HE1 TYR 39 2.514 7.957 9.887 332 HH TYR 39 HH TYR 39 1.622 7.171 12.114 333 H ASP 40 H ASP 40 5.701 2.169 5.791 334 HA ASP 40 HA ASP 40 5.659 2.812 2.896 335 HB2 ASP 40 2HB ASP 40 7.981 2.898 4.158 336 HB3 ASP 40 1HB ASP 40 7.871 1.141 4.186 337 H ILE 41 H ILE 41 4.896 1.160 1.604 338 HA ILE 41 HA ILE 41 4.273 -1.430 2.859 339 HB ILE 41 HB ILE 41 2.162 -0.252 2.947 340 HG12 ILE 41 2HG1 ILE 41 2.090 -2.276 0.667 341 HG13 ILE 41 1HG1 ILE 41 2.140 -2.682 2.377 342 HG21 ILE 41 1HG2 ILE 41 0.971 0.634 0.993 343 HG22 ILE 41 2HG2 ILE 41 2.365 0.266 -0.024 344 HG23 ILE 41 3HG2 ILE 41 2.505 1.473 1.255 345 HD11 ILE 41 3HD1 ILE 41 -0.104 -1.252 0.952 346 HD12 ILE 41 1HD1 ILE 41 -0.052 -1.620 2.680 347 HD13 ILE 41 2HD1 ILE 41 -0.091 -2.928 1.499 348 H ARG 42 H ARG 42 5.496 -2.716 1.860 349 HA ARG 42 HA ARG 42 6.337 -2.351 -0.950 350 HB2 ARG 42 2HB ARG 42 7.861 -0.999 0.327 351 HB3 ARG 42 1HB ARG 42 8.020 -2.215 1.584 352 HG2 ARG 42 2HG ARG 42 9.700 -3.295 0.514 353 HG3 ARG 42 1HG ARG 42 8.945 -3.145 -1.070 354 HD2 ARG 42 2HD ARG 42 10.529 -0.992 0.367 355 HD3 ARG 42 1HD ARG 42 11.104 -1.982 -0.961 356 HE ARG 42 HE ARG 42 10.020 0.448 -1.309 357 HH11 ARG 42 1HH1 ARG 42 8.768 -2.670 -2.384 358 HH12 ARG 42 2HH1 ARG 42 7.986 -1.982 -3.741 359 HH21 ARG 42 1HH2 ARG 42 9.002 1.307 -3.073 360 HH22 ARG 42 2HH2 ARG 42 8.106 0.276 -4.151 361 H THR 43 H THR 43 7.351 -4.324 -1.887 362 HA THR 43 HA THR 43 7.047 -6.744 -0.266 363 HB THR 43 HB THR 43 7.574 -6.468 -3.274 364 HG1 THR 43 HG1 THR 43 5.281 -6.089 -1.884 365 HG21 THR 43 3HG2 THR 43 8.219 -8.662 -2.315 366 HG22 THR 43 1HG2 THR 43 6.809 -8.822 -3.369 367 HG23 THR 43 2HG2 THR 43 6.607 -8.832 -1.615 368 H TRP 44 H TRP 44 8.895 -7.423 0.629 369 HA TRP 44 HA TRP 44 11.532 -6.433 -0.313 370 HB2 TRP 44 2HB TRP 44 10.611 -7.384 2.445 371 HB3 TRP 44 1HB TRP 44 12.283 -7.023 2.047 372 HD1 TRP 44 HD1 TRP 44 9.020 -5.329 3.040 373 HE1 TRP 44 HE1 TRP 44 9.499 -2.821 3.480 374 HE3 TRP 44 HE3 TRP 44 13.808 -5.043 1.248 375 HZ2 TRP 44 HZ2 TRP 44 11.588 -1.004 3.155 376 HZ3 TRP 44 HZ3 TRP 44 14.977 -2.879 1.354 377 HH2 TRP 44 HH2 TRP 44 13.889 -0.898 2.289 378 H SER 45 H SER 45 13.301 -7.993 -0.105 379 HA SER 45 HA SER 45 12.715 -10.806 -0.423 380 HB2 SER 45 2HB SER 45 15.187 -11.091 -0.025 381 HB3 SER 45 1HB SER 45 14.819 -9.911 -1.273 382 HG SER 45 HG SER 45 14.886 -8.610 1.022 383 HA PRO 46 HA PRO 46 12.479 -12.153 3.975 384 HB2 PRO 46 2HB PRO 46 14.366 -14.276 3.885 385 HB3 PRO 46 1HB PRO 46 12.632 -14.405 3.549 386 HG2 PRO 46 2HG PRO 46 14.899 -14.123 1.618 387 HG3 PRO 46 1HG PRO 46 13.423 -15.107 1.492 388 HD2 PRO 46 2HD PRO 46 13.644 -12.823 0.122 389 HD3 PRO 46 1HD PRO 46 12.092 -13.272 0.869 390 H ASP 47 H ASP 47 15.580 -11.498 2.436 391 HA ASP 47 HA ASP 47 16.965 -10.975 4.967 392 HB2 ASP 47 2HB ASP 47 17.891 -11.028 2.063 393 HB3 ASP 47 1HB ASP 47 18.947 -10.548 3.383 394 H HIS 48 H HIS 48 14.916 -9.190 3.067 395 HA HIS 48 HA HIS 48 14.402 -7.008 2.753 396 HB2 HIS 48 2HB HIS 48 16.181 -6.620 5.186 397 HB3 HIS 48 1HB HIS 48 15.217 -5.323 4.483 398 HD1 HIS 48 HD1 HIS 48 15.056 -7.470 7.230 399 HD2 HIS 48 HD2 HIS 48 12.304 -6.387 4.319 400 HE1 HIS 48 HE1 HIS 48 12.800 -7.907 8.233 401 HE2 HIS 48 HE2 HIS 48 11.183 -6.963 6.571 402 H GLU 49 H GLU 49 16.993 -8.132 1.555 403 HA GLU 49 HA GLU 49 18.607 -5.756 1.026 404 HB2 GLU 49 2HB GLU 49 20.031 -7.272 -0.293 405 HB3 GLU 49 1HB GLU 49 19.738 -7.919 1.318 406 HG2 GLU 49 2HG GLU 49 18.447 -9.697 0.542 407 HG3 GLU 49 1HG GLU 49 17.911 -8.834 -0.891 408 H LYS 50 H LYS 50 15.948 -7.411 -0.407 409 HA LYS 50 HA LYS 50 16.306 -6.045 -3.009 410 HB2 LYS 50 2HB LYS 50 14.731 -8.580 -2.382 411 HB3 LYS 50 1HB LYS 50 14.782 -7.796 -3.942 412 HG2 LYS 50 2HG LYS 50 17.370 -8.749 -2.733 413 HG3 LYS 50 1HG LYS 50 16.261 -9.932 -3.418 414 HD2 LYS 50 2HD LYS 50 17.836 -9.379 -5.129 415 HD3 LYS 50 1HD LYS 50 16.307 -8.624 -5.573 416 HE2 LYS 50 2HE LYS 50 18.165 -7.110 -6.018 417 HE3 LYS 50 1HE LYS 50 17.155 -6.454 -4.731 418 HZ1 LYS 50 3HZ LYS 50 19.478 -6.212 -4.187 419 HZ2 LYS 50 1HZ LYS 50 19.748 -7.867 -4.381 420 HZ3 LYS 50 2HZ LYS 50 18.779 -7.315 -3.116 421 H MET 51 H MET 51 14.632 -4.894 -3.794 422 HA MET 51 HA MET 51 12.047 -4.701 -2.454 423 HB2 MET 51 2HB MET 51 12.192 -2.237 -2.272 424 HB3 MET 51 1HB MET 51 13.395 -3.022 -1.265 425 HG2 MET 51 2HG MET 51 15.140 -2.470 -2.921 426 HG3 MET 51 1HG MET 51 13.922 -1.699 -3.942 427 HE1 MET 51 3HE MET 51 16.631 -0.236 -2.935 428 HE2 MET 51 1HE MET 51 15.985 1.354 -2.528 429 HE3 MET 51 2HE MET 51 15.440 0.531 -3.989 430 H GLY 52 H GLY 52 10.506 -3.407 -3.790 431 HA2 GLY 52 2HA GLY 52 11.104 -3.060 -6.626 432 HA3 GLY 52 1HA GLY 52 10.159 -4.498 -6.234 433 H LYS 53 H LYS 53 8.122 -4.029 -6.910 434 HA LYS 53 HA LYS 53 6.851 -1.543 -6.940 435 HB2 LYS 53 2HB LYS 53 5.769 -4.379 -6.987 436 HB3 LYS 53 1HB LYS 53 4.689 -2.993 -7.038 437 HG2 LYS 53 2HG LYS 53 6.873 -3.557 -9.072 438 HG3 LYS 53 1HG LYS 53 5.172 -3.956 -9.285 439 HD2 LYS 53 2HD LYS 53 6.363 -1.161 -9.043 440 HD3 LYS 53 1HD LYS 53 5.707 -1.900 -10.503 441 HE2 LYS 53 2HE LYS 53 4.141 -1.144 -8.012 442 HE3 LYS 53 1HE LYS 53 4.099 -0.307 -9.557 443 HZ1 LYS 53 3HZ LYS 53 3.072 -2.208 -10.565 444 HZ2 LYS 53 1HZ LYS 53 2.181 -1.776 -9.193 445 HZ3 LYS 53 2HZ LYS 53 3.213 -3.116 -9.147 446 H GLY 54 H GLY 54 6.344 -0.312 -5.295 447 HA2 GLY 54 2HA GLY 54 4.461 -0.972 -3.305 448 HA3 GLY 54 1HA GLY 54 6.072 -0.915 -2.583 449 H ILE 55 H ILE 55 4.590 0.917 -1.512 450 HA ILE 55 HA ILE 55 5.269 3.474 -2.781 451 HB ILE 55 HB ILE 55 3.034 2.999 -3.706 452 HG12 ILE 55 2HG1 ILE 55 2.861 5.209 -1.609 453 HG13 ILE 55 1HG1 ILE 55 3.576 5.372 -3.208 454 HG21 ILE 55 1HG2 ILE 55 1.016 2.763 -2.334 455 HG22 ILE 55 2HG2 ILE 55 1.993 2.837 -0.866 456 HG23 ILE 55 3HG2 ILE 55 2.178 1.480 -1.979 457 HD11 ILE 55 3HD1 ILE 55 1.371 6.359 -3.142 458 HD12 ILE 55 1HD1 ILE 55 0.664 4.829 -2.619 459 HD13 ILE 55 2HD1 ILE 55 1.382 4.970 -4.227 460 H THR 56 H THR 56 5.353 5.190 -1.348 461 HA THR 56 HA THR 56 5.446 4.492 1.534 462 HB THR 56 HB THR 56 6.749 7.008 0.446 463 HG1 THR 56 HG1 THR 56 7.814 4.364 0.333 464 HG21 THR 56 3HG2 THR 56 7.490 5.128 2.715 465 HG22 THR 56 1HG2 THR 56 6.662 6.683 2.894 466 HG23 THR 56 2HG2 THR 56 8.322 6.628 2.297 467 H LEU 57 H LEU 57 4.549 5.961 3.008 468 HA LEU 57 HA LEU 57 2.500 7.858 2.086 469 HB2 LEU 57 2HB LEU 57 2.110 5.667 4.194 470 HB3 LEU 57 1HB LEU 57 0.912 6.861 3.723 471 HG LEU 57 HG LEU 57 1.955 4.635 1.919 472 HD11 LEU 57 1HD1 LEU 57 -0.262 3.591 2.225 473 HD12 LEU 57 2HD1 LEU 57 -0.685 4.827 3.413 474 HD13 LEU 57 3HD1 LEU 57 0.629 3.694 3.744 475 HD21 LEU 57 3HD2 LEU 57 1.265 6.584 0.633 476 HD22 LEU 57 1HD2 LEU 57 -0.284 6.632 1.480 477 HD23 LEU 57 2HD2 LEU 57 0.106 5.274 0.420 478 H SER 58 H SER 58 2.403 9.595 3.430 479 HA SER 58 HA SER 58 4.365 9.912 5.566 480 HB2 SER 58 2HB SER 58 2.316 11.878 4.437 481 HB3 SER 58 1HB SER 58 3.665 12.279 5.508 482 HG SER 58 HG SER 58 3.637 11.748 2.789 483 H GLU 59 H GLU 59 3.484 11.040 7.634 484 HA GLU 59 HA GLU 59 1.710 9.363 8.996 485 HB2 GLU 59 2HB GLU 59 2.341 12.266 9.685 486 HB3 GLU 59 1HB GLU 59 1.755 11.024 10.792 487 HG2 GLU 59 2HG GLU 59 3.845 9.744 10.477 488 HG3 GLU 59 1HG GLU 59 4.442 10.990 9.379 489 H GLU 60 H GLU 60 1.159 12.426 7.342 490 HA GLU 60 HA GLU 60 -1.495 12.994 7.954 491 HB2 GLU 60 2HB GLU 60 -0.053 13.471 5.307 492 HB3 GLU 60 1HB GLU 60 -1.449 14.366 5.902 493 HG2 GLU 60 2HG GLU 60 -0.135 15.388 7.662 494 HG3 GLU 60 1HG GLU 60 1.241 14.342 7.306 495 H GLU 61 H GLU 61 -0.176 11.240 5.158 496 HA GLU 61 HA GLU 61 -2.655 10.779 3.836 497 HB2 GLU 61 2HB GLU 61 0.007 9.341 3.372 498 HB3 GLU 61 1HB GLU 61 -1.302 9.555 2.209 499 HG2 GLU 61 2HG GLU 61 -0.909 11.979 2.179 500 HG3 GLU 61 1HG GLU 61 0.363 11.800 3.384 501 H PHE 62 H PHE 62 -0.433 8.633 5.586 502 HA PHE 62 HA PHE 62 -2.006 6.289 5.531 503 HB2 PHE 62 2HB PHE 62 0.449 6.342 5.968 504 HB3 PHE 62 1HB PHE 62 0.152 7.099 7.528 505 HD1 PHE 62 HD2 PHE 62 -0.385 3.983 5.554 506 HD2 PHE 62 HD1 PHE 62 -0.391 5.753 9.445 507 HE1 PHE 62 HE2 PHE 62 -0.547 1.754 6.575 508 HE2 PHE 62 HE1 PHE 62 -0.558 3.520 10.454 509 HZ PHE 62 HZ PHE 62 -0.631 1.524 9.024 510 H GLY 63 H GLY 63 -1.845 9.032 7.834 511 HA2 GLY 63 2HA GLY 63 -3.553 8.075 9.821 512 HA3 GLY 63 1HA GLY 63 -3.350 9.764 9.377 513 H VAL 64 H VAL 64 -4.335 9.863 6.813 514 HA VAL 64 HA VAL 64 -7.130 9.918 7.000 515 HB VAL 64 HB VAL 64 -5.441 9.642 4.466 516 HG11 VAL 64 1HG1 VAL 64 -7.354 10.602 3.237 517 HG12 VAL 64 2HG1 VAL 64 -8.318 10.589 4.716 518 HG13 VAL 64 3HG1 VAL 64 -7.783 9.068 3.998 519 HG21 VAL 64 3HG2 VAL 64 -6.495 12.174 5.770 520 HG22 VAL 64 1HG2 VAL 64 -5.613 12.086 4.243 521 HG23 VAL 64 2HG2 VAL 64 -4.815 11.642 5.750 522 H LEU 65 H LEU 65 -4.891 7.415 5.718 523 HA LEU 65 HA LEU 65 -6.753 5.606 4.677 524 HB2 LEU 65 2HB LEU 65 -4.241 5.568 4.351 525 HB3 LEU 65 1HB LEU 65 -4.086 4.923 5.974 526 HG LEU 65 HG LEU 65 -5.500 2.920 5.189 527 HD11 LEU 65 1HD1 LEU 65 -6.519 3.934 3.216 528 HD12 LEU 65 2HD1 LEU 65 -5.623 2.480 2.792 529 HD13 LEU 65 3HD1 LEU 65 -4.936 4.069 2.442 530 HD21 LEU 65 3HD2 LEU 65 -2.817 3.356 3.829 531 HD22 LEU 65 1HD2 LEU 65 -3.601 1.798 4.114 532 HD23 LEU 65 2HD2 LEU 65 -3.062 2.772 5.479 533 H LEU 66 H LEU 66 -5.249 5.702 7.970 534 HA LEU 66 HA LEU 66 -6.491 3.469 9.103 535 HB2 LEU 66 2HB LEU 66 -5.526 6.043 10.425 536 HB3 LEU 66 1HB LEU 66 -5.972 4.593 11.312 537 HG LEU 66 HG LEU 66 -3.667 4.811 9.341 538 HD11 LEU 66 1HD1 LEU 66 -2.207 4.594 11.298 539 HD12 LEU 66 2HD1 LEU 66 -3.609 4.595 12.369 540 HD13 LEU 66 3HD1 LEU 66 -3.220 6.031 11.419 541 HD21 LEU 66 3HD2 LEU 66 -3.056 2.547 10.087 542 HD22 LEU 66 1HD2 LEU 66 -4.631 2.568 9.299 543 HD23 LEU 66 2HD2 LEU 66 -4.527 2.460 11.059 544 H LYS 67 H LYS 67 -7.523 6.867 9.040 545 HA LYS 67 HA LYS 67 -9.774 6.707 10.750 546 HB2 LYS 67 2HB LYS 67 -9.035 8.599 8.489 547 HB3 LYS 67 1HB LYS 67 -10.472 8.837 9.480 548 HG2 LYS 67 2HG LYS 67 -9.225 9.331 11.416 549 HG3 LYS 67 1HG LYS 67 -7.750 8.598 10.774 550 HD2 LYS 67 2HD LYS 67 -7.734 11.137 10.833 551 HD3 LYS 67 1HD LYS 67 -7.389 10.427 9.257 552 HE2 LYS 67 2HE LYS 67 -9.674 10.906 8.510 553 HE3 LYS 67 1HE LYS 67 -10.087 11.545 10.105 554 HZ1 LYS 67 3HZ LYS 67 -8.049 12.680 8.256 555 HZ2 LYS 67 1HZ LYS 67 -8.449 13.289 9.779 556 HZ3 LYS 67 2HZ LYS 67 -9.590 13.312 8.538 557 H GLU 68 H GLU 68 -9.576 6.666 7.192 558 HA GLU 68 HA GLU 68 -12.382 6.363 6.826 559 HB2 GLU 68 2HB GLU 68 -10.165 5.903 4.802 560 HB3 GLU 68 1HB GLU 68 -11.863 6.163 4.437 561 HG2 GLU 68 2HG GLU 68 -9.942 8.185 5.623 562 HG3 GLU 68 1HG GLU 68 -10.534 8.160 3.970 563 H LEU 69 H LEU 69 -9.638 4.086 6.869 564 HA LEU 69 HA LEU 69 -11.059 1.723 6.192 565 HB2 LEU 69 2HB LEU 69 -8.564 2.101 7.898 566 HB3 LEU 69 1HB LEU 69 -9.233 0.514 7.553 567 HG LEU 69 HG LEU 69 -8.128 2.453 5.479 568 HD11 LEU 69 1HD1 LEU 69 -6.359 1.487 6.864 569 HD12 LEU 69 2HD1 LEU 69 -6.295 0.851 5.223 570 HD13 LEU 69 3HD1 LEU 69 -6.960 -0.140 6.526 571 HD21 LEU 69 3HD2 LEU 69 -9.152 -0.374 5.112 572 HD22 LEU 69 1HD2 LEU 69 -8.358 0.616 3.885 573 HD23 LEU 69 2HD2 LEU 69 -9.925 1.104 4.527 574 H GLY 70 H GLY 70 -10.378 3.320 9.302 575 HA2 GLY 70 2HA GLY 70 -11.577 1.510 11.071 576 HA3 GLY 70 1HA GLY 70 -11.405 3.233 11.344 577 H ASN 71 H ASN 71 -12.978 4.131 9.200 578 HA ASN 71 HA ASN 71 -15.679 3.984 10.098 579 HB2 ASN 71 2HB ASN 71 -14.667 4.754 7.310 580 HB3 ASN 71 1HB ASN 71 -16.283 5.077 7.931 581 HD21 ASN 71 1HD2 ASN 71 -14.307 6.955 6.931 582 HD22 ASN 71 2HD2 ASN 71 -13.992 8.066 8.212 583 H LYS 72 H LYS 72 -14.286 2.755 7.096 584 HA LYS 72 HA LYS 72 -16.082 0.857 6.270 585 HB2 LYS 72 2HB LYS 72 -13.050 0.717 5.998 586 HB3 LYS 72 1HB LYS 72 -14.185 -0.244 5.052 587 HG2 LYS 72 2HG LYS 72 -15.116 1.803 4.047 588 HG3 LYS 72 1HG LYS 72 -14.040 2.786 5.038 589 HD2 LYS 72 2HD LYS 72 -13.114 2.645 2.805 590 HD3 LYS 72 1HD LYS 72 -12.074 1.727 3.899 591 HE2 LYS 72 2HE LYS 72 -12.403 0.533 1.784 592 HE3 LYS 72 1HE LYS 72 -13.136 -0.373 3.111 593 HZ1 LYS 72 3HZ LYS 72 -14.590 -0.297 1.188 594 HZ2 LYS 72 1HZ LYS 72 -14.583 1.391 1.201 595 HZ3 LYS 72 2HZ LYS 72 -15.291 0.542 2.477 596 H LEU 73 H LEU 73 -14.014 0.443 9.096 597 HA LEU 73 HA LEU 73 -14.229 -2.441 9.178 598 HB2 LEU 73 2HB LEU 73 -13.303 -0.491 11.323 599 HB3 LEU 73 1HB LEU 73 -13.239 -2.239 11.485 600 HG LEU 73 HG LEU 73 -11.617 -0.510 9.585 601 HD11 LEU 73 1HD1 LEU 73 -10.740 -0.592 11.856 602 HD12 LEU 73 2HD1 LEU 73 -9.662 -1.415 10.731 603 HD13 LEU 73 3HD1 LEU 73 -10.707 -2.357 11.798 604 HD21 LEU 73 3HD2 LEU 73 -10.581 -2.542 8.688 605 HD22 LEU 73 1HD2 LEU 73 -12.306 -2.489 8.332 606 HD23 LEU 73 2HD2 LEU 73 -11.704 -3.536 9.618 607 H GLU 74 H GLU 74 -16.541 -0.171 9.636 608 HA GLU 74 HA GLU 74 -18.077 -1.617 11.669 609 HB2 GLU 74 2HB GLU 74 -19.833 -0.022 11.377 610 HB3 GLU 74 1HB GLU 74 -18.336 0.902 11.325 611 HG2 GLU 74 2HG GLU 74 -18.494 1.081 8.886 612 HG3 GLU 74 1HG GLU 74 -19.909 0.038 8.872 613 H HIS 75 H HIS 75 -17.162 -2.467 8.728 614 HA HIS 75 HA HIS 75 -19.742 -3.531 7.711 615 HB2 HIS 75 2HB HIS 75 -17.045 -3.096 6.346 616 HB3 HIS 75 1HB HIS 75 -18.319 -4.070 5.613 617 HD1 HIS 75 HD1 HIS 75 -19.773 -2.796 4.063 618 HD2 HIS 75 HD2 HIS 75 -18.148 -0.320 6.976 619 HE1 HIS 75 HE1 HIS 75 -20.637 -0.499 3.558 620 HE2 HIS 75 HE2 HIS 75 -19.524 0.991 5.236 621 H HIS 76 H HIS 76 -18.457 -4.544 10.046 622 HA HIS 76 HA HIS 76 -17.793 -7.318 9.262 623 HB2 HIS 76 2HB HIS 76 -17.154 -5.751 11.812 624 HB3 HIS 76 1HB HIS 76 -16.831 -7.469 11.608 625 HD1 HIS 76 HD1 HIS 76 -14.782 -4.904 11.969 626 HD2 HIS 76 HD2 HIS 76 -15.376 -7.283 8.611 627 HE1 HIS 76 HE1 HIS 76 -12.648 -4.768 10.654 628 HE2 HIS 76 HE2 HIS 76 -12.967 -6.378 8.761 629 H HIS 77 H HIS 77 -20.469 -6.238 9.219 630 HA HIS 77 HA HIS 77 -21.722 -7.926 11.300 631 HB2 HIS 77 2HB HIS 77 -23.775 -6.509 11.124 632 HB3 HIS 77 1HB HIS 77 -22.385 -5.626 11.723 633 HD1 HIS 77 HD1 HIS 77 -21.719 -3.515 10.482 634 HD2 HIS 77 HD2 HIS 77 -24.621 -5.693 8.454 635 HE1 HIS 77 HE1 HIS 77 -22.487 -2.044 8.597 636 HE2 HIS 77 HE2 HIS 77 -24.297 -3.345 7.450 637 H HIS 78 H HIS 78 -21.224 -9.692 9.812 638 HA HIS 78 HA HIS 78 -22.588 -9.954 7.319 639 HB2 HIS 78 2HB HIS 78 -21.305 -11.963 9.193 640 HB3 HIS 78 1HB HIS 78 -22.213 -12.511 7.787 641 HD1 HIS 78 HD1 HIS 78 -18.895 -12.263 8.591 642 HD2 HIS 78 HD2 HIS 78 -21.101 -10.654 5.453 643 HE1 HIS 78 HE1 HIS 78 -17.234 -11.780 6.768 644 HE2 HIS 78 HE2 HIS 78 -18.595 -10.831 4.883 645 H HIS 79 H HIS 79 -24.667 -10.208 6.962 646 HA HIS 79 HA HIS 79 -26.701 -10.343 8.880 647 HB2 HIS 79 2HB HIS 79 -27.016 -9.467 6.560 648 HB3 HIS 79 1HB HIS 79 -26.829 -11.094 5.911 649 HD1 HIS 79 HD1 HIS 79 -28.791 -12.799 6.481 650 HD2 HIS 79 HD2 HIS 79 -29.573 -8.826 7.424 651 HE1 HIS 79 HE1 HIS 79 -31.263 -12.671 6.848 652 HE2 HIS 79 HE2 HIS 79 -31.727 -10.243 7.282 653 H HIS 80 H HIS 80 -28.039 -12.117 9.572 654 HA HIS 80 HA HIS 80 -26.620 -14.718 9.496 655 HB2 HIS 80 2HB HIS 80 -28.335 -13.536 11.734 656 HB3 HIS 80 1HB HIS 80 -27.505 -15.087 11.790 657 HD1 HIS 80 HD1 HIS 80 -24.998 -15.066 12.342 658 HD2 HIS 80 HD2 HIS 80 -26.629 -11.254 12.025 659 HE1 HIS 80 HE1 HIS 80 -23.236 -13.499 13.200 660 HE2 HIS 80 HE2 HIS 80 -24.230 -11.205 12.970 661 H1 MET 1 1H MET 1 3.119 -15.763 -18.423 662 H2 MET 1 2H MET 1 4.255 -15.243 -19.557 663 H3 MET 1 3H MET 1 3.993 -16.893 -19.318 664 HA MET 1 HA MET 1 2.967 -16.091 -21.349 665 HB2 MET 1 2HB MET 1 1.089 -17.037 -19.147 666 HB3 MET 1 1HB MET 1 0.647 -17.016 -20.852 667 HG2 MET 1 2HG MET 1 2.505 -18.568 -21.340 668 HG3 MET 1 1HG MET 1 2.910 -18.612 -19.624 669 HE1 MET 1 3HE MET 1 1.356 -22.174 -20.393 670 HE2 MET 1 1HE MET 1 2.797 -21.321 -19.844 671 HE3 MET 1 2HE MET 1 2.291 -21.200 -21.530 672 H ALA 2 H ALA 2 3.287 -13.744 -19.398 673 HA ALA 2 HA ALA 2 0.853 -12.192 -19.811 674 HB1 ALA 2 3HB ALA 2 2.004 -12.034 -17.635 675 HB2 ALA 2 1HB ALA 2 2.000 -10.471 -18.452 676 HB3 ALA 2 2HB ALA 2 3.467 -11.454 -18.431 677 H ASP 3 H ASP 3 0.931 -12.170 -22.099 678 HA ASP 3 HA ASP 3 2.934 -10.719 -23.600 679 HB2 ASP 3 2HB ASP 3 1.558 -12.376 -24.745 680 HB3 ASP 3 1HB ASP 3 0.076 -11.596 -24.213 681 H LYS 4 H LYS 4 0.276 -9.857 -21.609 682 HA LYS 4 HA LYS 4 0.223 -7.132 -21.925 683 HB2 LYS 4 2HB LYS 4 -0.503 -7.510 -24.271 684 HB3 LYS 4 1HB LYS 4 -1.852 -8.491 -23.718 685 HG2 LYS 4 2HG LYS 4 -2.837 -6.486 -22.611 686 HG3 LYS 4 1HG LYS 4 -1.484 -5.518 -23.192 687 HD2 LYS 4 2HD LYS 4 -3.336 -5.080 -24.654 688 HD3 LYS 4 1HD LYS 4 -2.207 -6.081 -25.565 689 HE2 LYS 4 2HE LYS 4 -4.682 -7.152 -24.161 690 HE3 LYS 4 1HE LYS 4 -4.637 -6.680 -25.856 691 HZ1 LYS 4 3HZ LYS 4 -2.952 -8.393 -26.231 692 HZ2 LYS 4 1HZ LYS 4 -4.383 -9.050 -25.619 693 HZ3 LYS 4 2HZ LYS 4 -3.046 -8.859 -24.613 694 H LEU 5 H LEU 5 -0.600 -6.659 -19.944 695 HA LEU 5 HA LEU 5 -2.703 -8.370 -18.771 696 HB2 LEU 5 2HB LEU 5 -1.093 -6.163 -17.421 697 HB3 LEU 5 1HB LEU 5 -2.231 -7.246 -16.635 698 HG LEU 5 HG LEU 5 0.513 -7.940 -17.752 699 HD11 LEU 5 1HD1 LEU 5 0.519 -6.892 -15.542 700 HD12 LEU 5 2HD1 LEU 5 1.018 -8.578 -15.439 701 HD13 LEU 5 3HD1 LEU 5 -0.611 -8.109 -14.939 702 HD21 LEU 5 3HD2 LEU 5 -1.555 -9.886 -16.677 703 HD22 LEU 5 1HD2 LEU 5 0.129 -10.269 -17.050 704 HD23 LEU 5 2HD2 LEU 5 -0.971 -9.790 -18.340 705 H LYS 6 H LYS 6 -4.534 -7.360 -17.819 706 HA LYS 6 HA LYS 6 -5.280 -4.688 -18.863 707 HB2 LYS 6 2HB LYS 6 -7.071 -7.138 -18.442 708 HB3 LYS 6 1HB LYS 6 -7.674 -5.530 -18.817 709 HG2 LYS 6 2HG LYS 6 -5.920 -7.232 -20.617 710 HG3 LYS 6 1HG LYS 6 -7.655 -6.993 -20.800 711 HD2 LYS 6 2HD LYS 6 -5.544 -4.810 -21.025 712 HD3 LYS 6 1HD LYS 6 -6.339 -5.606 -22.382 713 HE2 LYS 6 2HE LYS 6 -8.482 -4.663 -21.781 714 HE3 LYS 6 1HE LYS 6 -7.843 -4.040 -20.258 715 HZ1 LYS 6 3HZ LYS 6 -7.074 -3.132 -22.984 716 HZ2 LYS 6 1HZ LYS 6 -6.384 -2.573 -21.544 717 HZ3 LYS 6 2HZ LYS 6 -8.015 -2.279 -21.868 718 H PHE 7 H PHE 7 -6.386 -3.368 -17.333 719 HA PHE 7 HA PHE 7 -6.718 -4.360 -14.595 720 HB2 PHE 7 2HB PHE 7 -5.623 -2.228 -13.736 721 HB3 PHE 7 1HB PHE 7 -4.506 -3.359 -14.477 722 HD1 PHE 7 HD1 PHE 7 -3.458 -2.833 -16.684 723 HD2 PHE 7 HD2 PHE 7 -6.013 -0.011 -14.730 724 HE1 PHE 7 HE1 PHE 7 -2.616 -1.042 -18.152 725 HE2 PHE 7 HE2 PHE 7 -5.168 1.769 -16.204 726 HZ PHE 7 HZ PHE 7 -3.471 1.259 -17.912 727 H GLU 8 H GLU 8 -8.625 -3.597 -13.752 728 HA GLU 8 HA GLU 8 -9.921 -1.250 -14.977 729 HB2 GLU 8 2HB GLU 8 -10.748 -3.263 -16.208 730 HB3 GLU 8 1HB GLU 8 -11.259 -3.985 -14.684 731 HG2 GLU 8 2HG GLU 8 -12.905 -2.180 -14.356 732 HG3 GLU 8 1HG GLU 8 -12.361 -1.395 -15.839 733 H ILE 9 H ILE 9 -10.784 -0.019 -13.423 734 HA ILE 9 HA ILE 9 -10.403 -0.845 -10.655 735 HB ILE 9 HB ILE 9 -11.342 1.857 -11.749 736 HG12 ILE 9 2HG1 ILE 9 -8.582 0.934 -10.803 737 HG13 ILE 9 1HG1 ILE 9 -9.025 1.341 -12.454 738 HG21 ILE 9 1HG2 ILE 9 -10.864 2.725 -9.479 739 HG22 ILE 9 2HG2 ILE 9 -10.438 1.100 -8.939 740 HG23 ILE 9 3HG2 ILE 9 -12.097 1.462 -9.419 741 HD11 ILE 9 3HD1 ILE 9 -7.727 3.101 -11.453 742 HD12 ILE 9 1HD1 ILE 9 -8.879 3.257 -10.127 743 HD13 ILE 9 2HD1 ILE 9 -9.362 3.675 -11.774 744 H ILE 10 H ILE 10 -11.941 -1.912 -9.738 745 HA ILE 10 HA ILE 10 -14.639 -2.105 -10.791 746 HB ILE 10 HB ILE 10 -13.296 -3.553 -8.454 747 HG12 ILE 10 2HG1 ILE 10 -12.171 -4.118 -10.551 748 HG13 ILE 10 1HG1 ILE 10 -13.137 -5.496 -10.043 749 HG21 ILE 10 1HG2 ILE 10 -15.733 -3.581 -8.177 750 HG22 ILE 10 2HG2 ILE 10 -15.150 -5.190 -8.596 751 HG23 ILE 10 3HG2 ILE 10 -15.941 -4.194 -9.820 752 HD11 ILE 10 3HD1 ILE 10 -13.281 -5.186 -12.432 753 HD12 ILE 10 1HD1 ILE 10 -13.840 -3.527 -12.226 754 HD13 ILE 10 2HD1 ILE 10 -14.856 -4.875 -11.706 755 H GLU 11 H GLU 11 -12.918 -0.745 -7.997 756 HA GLU 11 HA GLU 11 -15.201 0.914 -7.289 757 HB2 GLU 11 2HB GLU 11 -15.706 -1.260 -6.128 758 HB3 GLU 11 1HB GLU 11 -14.170 -1.148 -5.279 759 HG2 GLU 11 2HG GLU 11 -15.998 -0.501 -3.813 760 HG3 GLU 11 1HG GLU 11 -14.955 0.883 -4.125 761 H GLU 12 H GLU 12 -14.594 2.673 -5.939 762 HA GLU 12 HA GLU 12 -11.720 2.932 -5.224 763 HB2 GLU 12 2HB GLU 12 -13.856 5.121 -5.301 764 HB3 GLU 12 1HB GLU 12 -12.155 5.349 -4.906 765 HG2 GLU 12 2HG GLU 12 -12.353 6.100 -7.128 766 HG3 GLU 12 1HG GLU 12 -11.631 4.498 -7.268 767 H LEU 13 H LEU 13 -11.117 3.130 -3.083 768 HA LEU 13 HA LEU 13 -13.289 2.749 -1.066 769 HB2 LEU 13 2HB LEU 13 -10.334 2.062 -0.791 770 HB3 LEU 13 1HB LEU 13 -11.607 1.688 0.361 771 HG LEU 13 HG LEU 13 -11.288 0.477 -2.415 772 HD11 LEU 13 1HD1 LEU 13 -10.856 -1.618 -1.202 773 HD12 LEU 13 2HD1 LEU 13 -10.948 -0.755 0.335 774 HD13 LEU 13 3HD1 LEU 13 -9.665 -0.377 -0.816 775 HD21 LEU 13 3HD2 LEU 13 -13.190 -0.985 -1.847 776 HD22 LEU 13 1HD2 LEU 13 -13.672 0.710 -1.900 777 HD23 LEU 13 2HD2 LEU 13 -13.439 -0.091 -0.345 778 H ILE 14 H ILE 14 -10.065 4.255 -1.396 779 HA ILE 14 HA ILE 14 -10.821 6.545 0.296 780 HB ILE 14 HB ILE 14 -8.325 4.863 0.917 781 HG12 ILE 14 2HG1 ILE 14 -10.878 4.989 2.591 782 HG13 ILE 14 1HG1 ILE 14 -10.405 3.624 1.590 783 HG21 ILE 14 1HG2 ILE 14 -9.556 7.209 2.418 784 HG22 ILE 14 2HG2 ILE 14 -8.085 7.259 1.443 785 HG23 ILE 14 3HG2 ILE 14 -8.128 6.301 2.924 786 HD11 ILE 14 3HD1 ILE 14 -9.932 3.232 3.927 787 HD12 ILE 14 1HD1 ILE 14 -8.884 4.648 3.984 788 HD13 ILE 14 2HD1 ILE 14 -8.446 3.261 2.981 789 H VAL 15 H VAL 15 -10.025 8.350 -0.758 790 HA VAL 15 HA VAL 15 -7.561 8.155 -2.381 791 HB VAL 15 HB VAL 15 -9.372 10.593 -1.995 792 HG11 VAL 15 1HG1 VAL 15 -7.210 10.077 -4.078 793 HG12 VAL 15 2HG1 VAL 15 -7.097 11.197 -2.719 794 HG13 VAL 15 3HG1 VAL 15 -8.262 11.495 -4.010 795 HG21 VAL 15 3HG2 VAL 15 -10.339 10.082 -4.209 796 HG22 VAL 15 1HG2 VAL 15 -10.644 8.775 -3.063 797 HG23 VAL 15 2HG2 VAL 15 -9.390 8.594 -4.292 798 H LEU 16 H LEU 16 -5.633 8.762 -1.534 799 HA LEU 16 HA LEU 16 -5.538 9.660 1.277 800 HB2 LEU 16 2HB LEU 16 -3.360 8.442 -0.471 801 HB3 LEU 16 1HB LEU 16 -3.197 8.827 1.238 802 HG LEU 16 HG LEU 16 -5.081 6.734 0.076 803 HD11 LEU 16 1HD1 LEU 16 -2.754 5.998 -0.051 804 HD12 LEU 16 2HD1 LEU 16 -3.626 5.079 1.172 805 HD13 LEU 16 3HD1 LEU 16 -2.515 6.365 1.661 806 HD21 LEU 16 3HD2 LEU 16 -5.550 6.122 2.395 807 HD22 LEU 16 1HD2 LEU 16 -6.028 7.784 2.066 808 HD23 LEU 16 2HD2 LEU 16 -4.547 7.457 2.969 809 H SER 17 H SER 17 -4.771 10.723 -1.935 810 HA SER 17 HA SER 17 -4.092 13.349 -1.326 811 HB2 SER 17 2HB SER 17 -1.685 11.548 -1.820 812 HB3 SER 17 1HB SER 17 -1.650 13.270 -2.197 813 HG SER 17 HG SER 17 -1.633 11.997 0.262 814 H GLU 18 H GLU 18 -3.411 14.500 -3.210 815 HA GLU 18 HA GLU 18 -3.779 13.327 -5.868 816 HB2 GLU 18 2HB GLU 18 -6.057 13.995 -5.185 817 HB3 GLU 18 1HB GLU 18 -5.500 15.627 -4.815 818 HG2 GLU 18 2HG GLU 18 -5.005 16.039 -7.165 819 HG3 GLU 18 1HG GLU 18 -5.398 14.372 -7.580 820 H ASN 19 H ASN 19 -2.713 14.520 -7.509 821 HA ASN 19 HA ASN 19 -0.606 16.318 -6.377 822 HB2 ASN 19 2HB ASN 19 0.130 14.200 -7.443 823 HB3 ASN 19 1HB ASN 19 -0.627 14.684 -8.956 824 HD21 ASN 19 1HD2 ASN 19 1.321 14.488 -10.036 825 HD22 ASN 19 2HD2 ASN 19 2.608 15.626 -9.869 826 H ALA 20 H ALA 20 0.220 18.113 -7.793 827 HA ALA 20 HA ALA 20 -1.614 19.881 -8.931 828 HB1 ALA 20 3HB ALA 20 1.341 19.573 -9.589 829 HB2 ALA 20 1HB ALA 20 0.659 20.533 -8.276 830 HB3 ALA 20 2HB ALA 20 0.347 20.990 -9.950 831 H LYS 21 H LYS 21 0.518 17.518 -10.552 832 HA LYS 21 HA LYS 21 -0.660 17.674 -13.146 833 HB2 LYS 21 2HB LYS 21 0.857 15.350 -11.873 834 HB3 LYS 21 1HB LYS 21 0.584 15.570 -13.597 835 HG2 LYS 21 2HG LYS 21 2.228 17.401 -11.826 836 HG3 LYS 21 1HG LYS 21 2.879 16.178 -12.913 837 HD2 LYS 21 2HD LYS 21 1.229 18.576 -13.801 838 HD3 LYS 21 1HD LYS 21 2.989 18.501 -13.835 839 HE2 LYS 21 2HE LYS 21 2.875 16.607 -15.425 840 HE3 LYS 21 1HE LYS 21 1.110 16.700 -15.397 841 HZ1 LYS 21 3HZ LYS 21 1.261 18.953 -16.280 842 HZ2 LYS 21 1HZ LYS 21 2.003 17.847 -17.314 843 HZ3 LYS 21 2HZ LYS 21 2.949 18.842 -16.334 844 H GLY 22 H GLY 22 -1.752 16.228 -10.241 845 HA2 GLY 22 2HA GLY 22 -4.123 15.841 -10.077 846 HA3 GLY 22 1HA GLY 22 -4.060 14.976 -11.610 847 H TRP 23 H TRP 23 -1.423 13.783 -10.789 848 HA TRP 23 HA TRP 23 -2.250 11.242 -10.390 849 HB2 TRP 23 2HB TRP 23 0.403 12.509 -9.649 850 HB3 TRP 23 1HB TRP 23 0.126 10.783 -9.454 851 HD1 TRP 23 HD1 TRP 23 -0.061 13.402 -12.324 852 HE1 TRP 23 HE1 TRP 23 0.721 12.303 -14.476 853 HE3 TRP 23 HE3 TRP 23 0.673 8.645 -10.568 854 HZ2 TRP 23 HZ2 TRP 23 1.585 9.715 -15.359 855 HZ3 TRP 23 HZ3 TRP 23 1.494 6.916 -12.123 856 HH2 TRP 23 HH2 TRP 23 1.936 7.441 -14.477 857 H ARG 24 H ARG 24 -3.476 10.426 -8.878 858 HA ARG 24 HA ARG 24 -3.525 11.414 -6.114 859 HB2 ARG 24 2HB ARG 24 -5.287 9.476 -7.680 860 HB3 ARG 24 1HB ARG 24 -5.521 9.830 -5.970 861 HG2 ARG 24 2HG ARG 24 -6.297 12.011 -6.400 862 HG3 ARG 24 1HG ARG 24 -5.669 12.024 -8.049 863 HD2 ARG 24 2HD ARG 24 -7.292 10.329 -8.726 864 HD3 ARG 24 1HD ARG 24 -7.845 10.137 -7.061 865 HE ARG 24 HE ARG 24 -8.224 12.806 -7.984 866 HH11 ARG 24 1HH1 ARG 24 -9.536 9.546 -8.250 867 HH12 ARG 24 2HH1 ARG 24 -11.145 10.091 -8.599 868 HH21 ARG 24 1HH2 ARG 24 -10.397 13.484 -8.356 869 HH22 ARG 24 2HH2 ARG 24 -11.622 12.294 -8.657 870 H LYS 25 H LYS 25 -2.671 10.129 -4.442 871 HA LYS 25 HA LYS 25 -2.089 7.293 -5.156 872 HB2 LYS 25 2HB LYS 25 -0.803 7.089 -3.108 873 HB3 LYS 25 1HB LYS 25 -0.191 8.428 -4.070 874 HG2 LYS 25 2HG LYS 25 -1.168 10.042 -2.564 875 HG3 LYS 25 1HG LYS 25 -2.028 8.770 -1.687 876 HD2 LYS 25 2HD LYS 25 -0.054 9.506 -0.434 877 HD3 LYS 25 1HD LYS 25 0.117 7.822 -0.926 878 HE2 LYS 25 2HE LYS 25 1.623 8.484 -2.738 879 HE3 LYS 25 1HE LYS 25 1.393 10.192 -2.344 880 HZ1 LYS 25 3HZ LYS 25 2.437 9.843 -0.222 881 HZ2 LYS 25 1HZ LYS 25 3.456 9.251 -1.434 882 HZ3 LYS 25 2HZ LYS 25 2.557 8.179 -0.495 883 H GLU 26 H GLU 26 -3.739 6.042 -4.865 884 HA GLU 26 HA GLU 26 -5.560 6.446 -2.575 885 HB2 GLU 26 2HB GLU 26 -7.508 6.037 -4.101 886 HB3 GLU 26 1HB GLU 26 -6.647 7.530 -4.443 887 HG2 GLU 26 2HG GLU 26 -5.490 6.397 -6.340 888 HG3 GLU 26 1HG GLU 26 -6.441 4.949 -6.019 889 H LEU 27 H LEU 27 -6.768 4.716 -1.964 890 HA LEU 27 HA LEU 27 -5.877 2.020 -2.671 891 HB2 LEU 27 2HB LEU 27 -5.808 2.606 -0.284 892 HB3 LEU 27 1HB LEU 27 -7.477 3.151 -0.336 893 HG LEU 27 HG LEU 27 -8.187 0.776 -0.809 894 HD11 LEU 27 1HD1 LEU 27 -5.290 0.087 -0.234 895 HD12 LEU 27 2HD1 LEU 27 -6.128 -0.107 -1.776 896 HD13 LEU 27 3HD1 LEU 27 -6.619 -1.068 -0.383 897 HD21 LEU 27 3HD2 LEU 27 -6.647 1.184 1.771 898 HD22 LEU 27 1HD2 LEU 27 -7.942 0.016 1.498 899 HD23 LEU 27 2HD2 LEU 27 -8.292 1.740 1.449 900 H ASN 28 H ASN 28 -7.103 1.116 -4.171 901 HA ASN 28 HA ASN 28 -10.028 1.288 -4.143 902 HB2 ASN 28 2HB ASN 28 -10.118 1.824 -6.585 903 HB3 ASN 28 1HB ASN 28 -9.422 3.135 -5.643 904 HD21 ASN 28 1HD2 ASN 28 -7.123 3.423 -5.737 905 HD22 ASN 28 2HD2 ASN 28 -6.249 2.928 -7.129 906 H ARG 29 H ARG 29 -10.976 -0.349 -5.620 907 HA ARG 29 HA ARG 29 -9.394 -2.813 -5.476 908 HB2 ARG 29 2HB ARG 29 -12.403 -2.449 -5.836 909 HB3 ARG 29 1HB ARG 29 -11.564 -3.997 -5.775 910 HG2 ARG 29 2HG ARG 29 -10.790 -3.389 -3.440 911 HG3 ARG 29 1HG ARG 29 -11.862 -1.988 -3.523 912 HD2 ARG 29 2HD ARG 29 -12.989 -3.776 -2.341 913 HD3 ARG 29 1HD ARG 29 -13.783 -3.545 -3.902 914 HE ARG 29 HE ARG 29 -11.722 -5.617 -3.754 915 HH11 ARG 29 1HH1 ARG 29 -15.184 -4.948 -3.759 916 HH12 ARG 29 2HH1 ARG 29 -15.606 -6.590 -4.135 917 HH21 ARG 29 1HH2 ARG 29 -12.323 -7.761 -4.215 918 HH22 ARG 29 2HH2 ARG 29 -13.999 -8.168 -4.388 919 H VAL 30 H VAL 30 -8.631 -3.640 -7.276 920 HA VAL 30 HA VAL 30 -9.621 -2.820 -9.941 921 HB VAL 30 HB VAL 30 -6.715 -3.407 -9.142 922 HG11 VAL 30 1HG1 VAL 30 -7.138 -4.083 -11.466 923 HG12 VAL 30 2HG1 VAL 30 -6.088 -2.667 -11.412 924 HG13 VAL 30 3HG1 VAL 30 -7.793 -2.484 -11.833 925 HG21 VAL 30 3HG2 VAL 30 -6.255 -1.017 -9.551 926 HG22 VAL 30 1HG2 VAL 30 -7.431 -1.235 -8.251 927 HG23 VAL 30 2HG2 VAL 30 -7.971 -0.732 -9.854 928 H SER 31 H SER 31 -9.673 -4.455 -11.484 929 HA SER 31 HA SER 31 -9.172 -7.251 -10.640 930 HB2 SER 31 2HB SER 31 -11.560 -6.858 -11.154 931 HB3 SER 31 1HB SER 31 -11.134 -6.174 -12.726 932 HG SER 31 HG SER 31 -11.345 -8.799 -11.941 933 H TRP 32 H TRP 32 -7.636 -8.306 -11.812 934 HA TRP 32 HA TRP 32 -6.360 -6.897 -14.081 935 HB2 TRP 32 2HB TRP 32 -5.256 -8.992 -12.157 936 HB3 TRP 32 1HB TRP 32 -4.379 -8.373 -13.554 937 HD1 TRP 32 HD1 TRP 32 -5.483 -7.337 -10.008 938 HE1 TRP 32 HE1 TRP 32 -4.149 -5.233 -9.335 939 HE3 TRP 32 HE3 TRP 32 -3.276 -6.259 -14.515 940 HZ2 TRP 32 HZ2 TRP 32 -2.461 -3.340 -10.547 941 HZ3 TRP 32 HZ3 TRP 32 -1.816 -4.281 -14.666 942 HH2 TRP 32 HH2 TRP 32 -1.418 -2.851 -12.724 943 H ASN 33 H ASN 33 -7.005 -7.633 -15.970 944 HA ASN 33 HA ASN 33 -7.626 -8.946 -17.729 945 HB2 ASN 33 2HB ASN 33 -6.049 -10.997 -16.110 946 HB3 ASN 33 1HB ASN 33 -6.736 -11.387 -17.686 947 HD21 ASN 33 1HD2 ASN 33 -3.912 -10.954 -16.521 948 HD22 ASN 33 2HD2 ASN 33 -3.155 -10.024 -17.759 949 H ASP 34 H ASP 34 -9.551 -8.476 -15.790 950 HA ASP 34 HA ASP 34 -11.585 -9.028 -15.037 951 HB2 ASP 34 2HB ASP 34 -11.827 -9.439 -17.547 952 HB3 ASP 34 1HB ASP 34 -11.552 -11.150 -17.243 953 H ALA 35 H ALA 35 -9.355 -10.306 -13.677 954 HA ALA 35 HA ALA 35 -10.333 -12.995 -12.908 955 HB1 ALA 35 3HB ALA 35 -8.171 -13.195 -11.725 956 HB2 ALA 35 1HB ALA 35 -7.765 -11.533 -12.161 957 HB3 ALA 35 2HB ALA 35 -7.934 -12.759 -13.418 958 H GLU 36 H GLU 36 -9.449 -13.036 -10.258 959 HA GLU 36 HA GLU 36 -11.344 -12.066 -8.586 960 HB2 GLU 36 2HB GLU 36 -8.369 -12.330 -7.984 961 HB3 GLU 36 1HB GLU 36 -9.602 -12.129 -6.742 962 HG2 GLU 36 2HG GLU 36 -10.645 -14.259 -7.447 963 HG3 GLU 36 1HG GLU 36 -9.385 -14.466 -8.664 964 HA PRO 37 HA PRO 37 -10.645 -7.493 -8.660 965 HB2 PRO 37 2HB PRO 37 -13.121 -7.484 -6.969 966 HB3 PRO 37 1HB PRO 37 -12.811 -6.648 -8.506 967 HG2 PRO 37 2HG PRO 37 -14.488 -8.733 -8.387 968 HG3 PRO 37 1HG PRO 37 -13.442 -8.467 -9.800 969 HD2 PRO 37 2HD PRO 37 -13.045 -10.389 -7.503 970 HD3 PRO 37 1HD PRO 37 -12.836 -10.658 -9.250 971 H LYS 38 H LYS 38 -9.273 -6.632 -7.160 972 HA LYS 38 HA LYS 38 -9.335 -7.523 -4.372 973 HB2 LYS 38 2HB LYS 38 -6.905 -8.061 -4.404 974 HB3 LYS 38 1HB LYS 38 -7.844 -9.175 -5.383 975 HG2 LYS 38 2HG LYS 38 -7.066 -8.104 -7.435 976 HG3 LYS 38 1HG LYS 38 -6.237 -6.854 -6.497 977 HD2 LYS 38 2HD LYS 38 -4.669 -8.616 -7.326 978 HD3 LYS 38 1HD LYS 38 -4.690 -8.502 -5.566 979 HE2 LYS 38 2HE LYS 38 -6.264 -10.466 -5.523 980 HE3 LYS 38 1HE LYS 38 -6.063 -10.612 -7.270 981 HZ1 LYS 38 3HZ LYS 38 -3.679 -10.941 -6.907 982 HZ2 LYS 38 1HZ LYS 38 -4.599 -12.120 -6.119 983 HZ3 LYS 38 2HZ LYS 38 -3.912 -10.858 -5.234 984 H TYR 39 H TYR 39 -7.458 -6.318 -3.224 985 HA TYR 39 HA TYR 39 -8.067 -3.527 -3.671 986 HB2 TYR 39 2HB TYR 39 -6.390 -4.845 -1.487 987 HB3 TYR 39 1HB TYR 39 -7.093 -3.225 -1.447 988 HD1 TYR 39 HD2 TYR 39 -9.565 -2.943 -1.153 989 HD2 TYR 39 HD1 TYR 39 -7.814 -6.838 -1.070 990 HE1 TYR 39 HE2 TYR 39 -11.633 -3.857 -0.184 991 HE2 TYR 39 HE1 TYR 39 -9.891 -7.743 -0.116 992 HH TYR 39 HH TYR 39 -11.823 -6.941 1.198 993 H ASP 40 H ASP 40 -6.649 -2.001 -4.228 994 HA ASP 40 HA ASP 40 -3.772 -2.596 -4.630 995 HB2 ASP 40 2HB ASP 40 -5.183 -2.706 -6.832 996 HB3 ASP 40 1HB ASP 40 -5.320 -0.961 -6.696 997 H ILE 41 H ILE 41 -2.436 -0.928 -4.165 998 HA ILE 41 HA ILE 41 -3.567 1.643 -3.269 999 HB ILE 41 HB ILE 41 -3.429 0.451 -1.177 1000 HG12 ILE 41 2HG1 ILE 41 -0.979 2.256 -1.425 1001 HG13 ILE 41 1HG1 ILE 41 -2.624 2.800 -1.129 1002 HG21 ILE 41 1HG2 ILE 41 -1.421 -0.680 -0.323 1003 HG22 ILE 41 2HG2 ILE 41 -0.577 -0.329 -1.831 1004 HG23 ILE 41 3HG2 ILE 41 -1.972 -1.410 -1.836 1005 HD11 ILE 41 3HD1 ILE 41 -1.326 2.850 0.898 1006 HD12 ILE 41 1HD1 ILE 41 -0.931 1.139 0.738 1007 HD13 ILE 41 2HD1 ILE 41 -2.599 1.640 1.039 1008 H ARG 42 H ARG 42 -2.616 3.027 -4.472 1009 HA ARG 42 HA ARG 42 0.177 3.116 -5.156 1010 HB2 ARG 42 2HB ARG 42 0.230 2.351 -7.415 1011 HB3 ARG 42 1HB ARG 42 -0.613 1.096 -6.517 1012 HG2 ARG 42 2HG ARG 42 -2.786 2.059 -7.357 1013 HG3 ARG 42 1HG ARG 42 -1.842 3.168 -8.358 1014 HD2 ARG 42 2HD ARG 42 -1.990 0.152 -8.545 1015 HD3 ARG 42 1HD ARG 42 -2.451 1.342 -9.764 1016 HE ARG 42 HE ARG 42 0.223 1.776 -9.368 1017 HH11 ARG 42 1HH1 ARG 42 -1.684 -1.034 -10.278 1018 HH12 ARG 42 2HH1 ARG 42 -0.409 -1.742 -11.222 1019 HH21 ARG 42 1HH2 ARG 42 1.883 0.860 -10.615 1020 HH22 ARG 42 2HH2 ARG 42 1.626 -0.662 -11.415 1021 H THR 43 H THR 43 0.482 4.586 -7.312 1022 HA THR 43 HA THR 43 -1.287 6.870 -6.935 1023 HB THR 43 HB THR 43 1.458 6.758 -8.280 1024 HG1 THR 43 HG1 THR 43 1.328 6.175 -5.909 1025 HG21 THR 43 3HG2 THR 43 0.092 8.755 -8.846 1026 HG22 THR 43 1HG2 THR 43 1.478 9.198 -7.845 1027 HG23 THR 43 2HG2 THR 43 -0.131 9.092 -7.127 1028 H TRP 44 H TRP 44 -2.737 7.161 -8.497 1029 HA TRP 44 HA TRP 44 -2.419 6.083 -11.236 1030 HB2 TRP 44 2HB TRP 44 -4.916 6.790 -9.615 1031 HB3 TRP 44 1HB TRP 44 -4.959 6.416 -11.331 1032 HD1 TRP 44 HD1 TRP 44 -4.842 4.728 -7.913 1033 HE1 TRP 44 HE1 TRP 44 -5.154 2.179 -8.260 1034 HE3 TRP 44 HE3 TRP 44 -4.369 4.480 -13.002 1035 HZ2 TRP 44 HZ2 TRP 44 -5.162 0.339 -10.344 1036 HZ3 TRP 44 HZ3 TRP 44 -4.545 2.283 -14.091 1037 HH2 TRP 44 HH2 TRP 44 -4.934 0.249 -12.789 1038 H SER 45 H SER 45 -3.163 7.528 -12.955 1039 HA SER 45 HA SER 45 -2.795 10.360 -12.580 1040 HB2 SER 45 2HB SER 45 -3.609 10.515 -14.957 1041 HB3 SER 45 1HB SER 45 -2.317 9.342 -14.755 1042 HG SER 45 HG SER 45 -4.127 8.648 -16.063 1043 HA PRO 46 HA PRO 46 -7.058 11.671 -11.557 1044 HB2 PRO 46 2HB PRO 46 -7.584 13.683 -13.423 1045 HB3 PRO 46 1HB PRO 46 -6.622 13.913 -11.951 1046 HG2 PRO 46 2HG PRO 46 -5.664 13.392 -14.747 1047 HG3 PRO 46 1HG PRO 46 -5.058 14.561 -13.548 1048 HD2 PRO 46 2HD PRO 46 -3.764 12.252 -13.956 1049 HD3 PRO 46 1HD PRO 46 -3.925 12.914 -12.313 1050 H ASP 47 H ASP 47 -6.272 10.886 -14.893 1051 HA ASP 47 HA ASP 47 -8.979 10.271 -15.746 1052 HB2 ASP 47 2HB ASP 47 -6.325 9.585 -17.108 1053 HB3 ASP 47 1HB ASP 47 -7.913 9.600 -17.862 1054 H HIS 48 H HIS 48 -6.599 8.620 -13.914 1055 HA HIS 48 HA HIS 48 -6.301 6.553 -13.138 1056 HB2 HIS 48 2HB HIS 48 -9.169 6.187 -14.070 1057 HB3 HIS 48 1HB HIS 48 -8.290 4.931 -13.207 1058 HD1 HIS 48 HD1 HIS 48 -10.895 6.649 -12.250 1059 HD2 HIS 48 HD2 HIS 48 -7.003 6.928 -10.840 1060 HE1 HIS 48 HE1 HIS 48 -11.088 7.534 -9.914 1061 HE2 HIS 48 HE2 HIS 48 -8.759 7.372 -9.010 1062 H GLU 49 H GLU 49 -5.733 7.196 -16.050 1063 HA GLU 49 HA GLU 49 -5.798 4.538 -17.329 1064 HB2 GLU 49 2HB GLU 49 -5.128 5.669 -19.385 1065 HB3 GLU 49 1HB GLU 49 -6.527 6.474 -18.687 1066 HG2 GLU 49 2HG GLU 49 -5.420 8.444 -18.369 1067 HG3 GLU 49 1HG GLU 49 -3.935 7.659 -17.848 1068 H LYS 50 H LYS 50 -3.722 6.494 -15.512 1069 HA LYS 50 HA LYS 50 -1.273 5.105 -16.447 1070 HB2 LYS 50 2HB LYS 50 -1.501 7.889 -15.224 1071 HB3 LYS 50 1HB LYS 50 0.003 7.091 -15.609 1072 HG2 LYS 50 2HG LYS 50 -1.922 7.522 -17.866 1073 HG3 LYS 50 1HG LYS 50 -1.132 8.945 -17.195 1074 HD2 LYS 50 2HD LYS 50 0.153 8.180 -19.084 1075 HD3 LYS 50 1HD LYS 50 1.086 7.873 -17.620 1076 HE2 LYS 50 2HE LYS 50 1.274 6.000 -19.155 1077 HE3 LYS 50 1HE LYS 50 0.404 5.493 -17.713 1078 HZ1 LYS 50 3HZ LYS 50 -1.677 5.728 -18.926 1079 HZ2 LYS 50 1HZ LYS 50 -0.640 4.657 -19.723 1080 HZ3 LYS 50 2HZ LYS 50 -0.845 6.228 -20.308 1081 H MET 51 H MET 51 0.097 4.381 -14.794 1082 HA MET 51 HA MET 51 -0.739 4.608 -11.996 1083 HB2 MET 51 2HB MET 51 -0.666 2.142 -11.687 1084 HB3 MET 51 1HB MET 51 -1.964 2.636 -12.759 1085 HG2 MET 51 2HG MET 51 -0.588 1.959 -14.708 1086 HG3 MET 51 1HG MET 51 0.680 1.418 -13.602 1087 HE1 MET 51 3HE MET 51 -0.624 -0.476 -15.877 1088 HE2 MET 51 1HE MET 51 -0.782 -1.972 -14.955 1089 HE3 MET 51 2HE MET 51 0.666 -0.980 -14.781 1090 H GLY 52 H GLY 52 0.943 3.727 -10.516 1091 HA2 GLY 52 2HA GLY 52 3.629 3.330 -11.584 1092 HA3 GLY 52 1HA GLY 52 3.357 4.886 -10.806 1093 H LYS 53 H LYS 53 4.391 4.793 -8.909 1094 HA LYS 53 HA LYS 53 5.249 2.584 -7.512 1095 HB2 LYS 53 2HB LYS 53 4.641 5.353 -6.390 1096 HB3 LYS 53 1HB LYS 53 5.592 4.128 -5.559 1097 HG2 LYS 53 2HG LYS 53 6.336 5.437 -8.198 1098 HG3 LYS 53 1HG LYS 53 7.002 5.865 -6.624 1099 HD2 LYS 53 2HD LYS 53 7.335 3.182 -8.035 1100 HD3 LYS 53 1HD LYS 53 8.559 4.443 -7.912 1101 HE2 LYS 53 2HE LYS 53 7.393 2.895 -5.568 1102 HE3 LYS 53 1HE LYS 53 8.967 2.611 -6.306 1103 HZ1 LYS 53 3HZ LYS 53 9.651 4.812 -5.638 1104 HZ2 LYS 53 1HZ LYS 53 9.141 3.920 -4.298 1105 HZ3 LYS 53 2HZ LYS 53 8.138 5.111 -4.946 1106 H GLY 54 H GLY 54 3.968 0.938 -6.688 1107 HA2 GLY 54 2HA GLY 54 2.434 1.275 -4.420 1108 HA3 GLY 54 1HA GLY 54 1.333 1.278 -5.785 1109 H ILE 55 H ILE 55 0.564 -0.676 -4.588 1110 HA ILE 55 HA ILE 55 1.853 -3.124 -5.522 1111 HB ILE 55 HB ILE 55 3.155 -2.615 -3.509 1112 HG12 ILE 55 2HG1 ILE 55 1.221 -4.917 -3.000 1113 HG13 ILE 55 1HG1 ILE 55 2.726 -4.997 -3.910 1114 HG21 ILE 55 1HG2 ILE 55 2.180 -2.393 -1.267 1115 HG22 ILE 55 2HG2 ILE 55 0.558 -2.551 -1.944 1116 HG23 ILE 55 3HG2 ILE 55 1.549 -1.151 -2.355 1117 HD11 ILE 55 3HD1 ILE 55 3.965 -4.457 -1.848 1118 HD12 ILE 55 1HD1 ILE 55 3.033 -5.948 -1.743 1119 HD13 ILE 55 2HD1 ILE 55 2.440 -4.490 -0.953 1120 H THR 56 H THR 56 0.531 -4.951 -5.366 1121 HA THR 56 HA THR 56 -2.361 -4.466 -5.076 1122 HB THR 56 HB THR 56 -2.397 -6.901 -6.139 1123 HG1 THR 56 HG1 THR 56 -0.393 -7.590 -6.314 1124 HG21 THR 56 3HG2 THR 56 -1.574 -4.482 -7.776 1125 HG22 THR 56 1HG2 THR 56 -3.224 -4.929 -7.320 1126 HG23 THR 56 2HG2 THR 56 -2.299 -5.961 -8.414 1127 H LEU 57 H LEU 57 -3.598 -5.660 -3.721 1128 HA LEU 57 HA LEU 57 -2.407 -7.490 -1.754 1129 HB2 LEU 57 2HB LEU 57 -4.393 -5.237 -1.165 1130 HB3 LEU 57 1HB LEU 57 -3.748 -6.370 0.011 1131 HG LEU 57 HG LEU 57 -2.157 -4.214 -1.436 1132 HD11 LEU 57 1HD1 LEU 57 -3.032 -4.364 1.468 1133 HD12 LEU 57 2HD1 LEU 57 -3.662 -3.264 0.239 1134 HD13 LEU 57 3HD1 LEU 57 -1.986 -3.128 0.760 1135 HD21 LEU 57 3HD2 LEU 57 -0.296 -4.830 0.058 1136 HD22 LEU 57 1HD2 LEU 57 -0.749 -6.151 -1.016 1137 HD23 LEU 57 2HD2 LEU 57 -1.245 -6.185 0.677 1138 H SER 58 H SER 58 -3.734 -9.212 -1.337 1139 HA SER 58 HA SER 58 -6.217 -9.579 -2.863 1140 HB2 SER 58 2HB SER 58 -4.640 -11.594 -1.187 1141 HB3 SER 58 1HB SER 58 -5.941 -11.957 -2.329 1142 HG SER 58 HG SER 58 -3.350 -10.951 -2.878 1143 H GLU 59 H GLU 59 -8.008 -10.825 -1.536 1144 HA GLU 59 HA GLU 59 -8.907 -9.090 0.475 1145 HB2 GLU 59 2HB GLU 59 -9.899 -11.899 -0.163 1146 HB3 GLU 59 1HB GLU 59 -10.779 -10.675 0.754 1147 HG2 GLU 59 2HG GLU 59 -10.777 -9.196 -1.246 1148 HG3 GLU 59 1HG GLU 59 -9.958 -10.465 -2.158 1149 H GLU 60 H GLU 60 -7.315 -12.239 0.726 1150 HA GLU 60 HA GLU 60 -7.358 -12.652 3.498 1151 HB2 GLU 60 2HB GLU 60 -5.177 -13.372 1.491 1152 HB3 GLU 60 1HB GLU 60 -5.362 -14.090 3.090 1153 HG2 GLU 60 2HG GLU 60 -7.472 -15.122 2.430 1154 HG3 GLU 60 1HG GLU 60 -7.414 -14.307 0.866 1155 H GLU 61 H GLU 61 -4.874 -11.090 1.486 1156 HA GLU 61 HA GLU 61 -2.991 -10.597 3.547 1157 HB2 GLU 61 2HB GLU 61 -3.245 -9.226 0.826 1158 HB3 GLU 61 1HB GLU 61 -1.787 -9.319 1.815 1159 HG2 GLU 61 2HG GLU 61 -1.625 -11.702 1.484 1160 HG3 GLU 61 1HG GLU 61 -3.197 -11.758 0.691 1161 H PHE 62 H PHE 62 -5.193 -8.446 1.806 1162 HA PHE 62 HA PHE 62 -4.757 -6.092 3.310 1163 HB2 PHE 62 2HB PHE 62 -5.696 -6.116 1.003 1164 HB3 PHE 62 1HB PHE 62 -7.165 -6.873 1.607 1165 HD1 PHE 62 HD2 PHE 62 -5.110 -3.769 1.770 1166 HD2 PHE 62 HD1 PHE 62 -8.930 -5.523 2.529 1167 HE1 PHE 62 HE2 PHE 62 -6.056 -1.542 2.185 1168 HE2 PHE 62 HE1 PHE 62 -9.864 -3.290 2.947 1169 HZ PHE 62 HZ PHE 62 -8.434 -1.303 2.774 1170 H GLY 63 H GLY 63 -7.116 -8.800 3.668 1171 HA2 GLY 63 2HA GLY 63 -8.655 -7.774 5.752 1172 HA3 GLY 63 1HA GLY 63 -8.291 -9.474 5.503 1173 H VAL 64 H VAL 64 -5.585 -9.610 5.932 1174 HA VAL 64 HA VAL 64 -5.219 -9.559 8.717 1175 HB VAL 64 HB VAL 64 -3.113 -9.626 6.508 1176 HG11 VAL 64 1HG1 VAL 64 -1.552 -10.566 8.180 1177 HG12 VAL 64 2HG1 VAL 64 -2.755 -10.302 9.447 1178 HG13 VAL 64 3HG1 VAL 64 -2.049 -8.923 8.600 1179 HG21 VAL 64 3HG2 VAL 64 -4.335 -11.917 8.082 1180 HG22 VAL 64 1HG2 VAL 64 -3.049 -12.063 6.880 1181 HG23 VAL 64 2HG2 VAL 64 -4.659 -11.532 6.393 1182 H LEU 65 H LEU 65 -4.341 -7.204 6.148 1183 HA LEU 65 HA LEU 65 -2.842 -5.379 7.645 1184 HB2 LEU 65 2HB LEU 65 -3.151 -5.350 5.140 1185 HB3 LEU 65 1HB LEU 65 -4.774 -4.731 5.380 1186 HG LEU 65 HG LEU 65 -3.699 -2.694 6.535 1187 HD11 LEU 65 1HD1 LEU 65 -1.364 -2.199 6.055 1188 HD12 LEU 65 2HD1 LEU 65 -1.156 -3.785 5.307 1189 HD13 LEU 65 3HD1 LEU 65 -1.511 -3.658 7.030 1190 HD21 LEU 65 3HD2 LEU 65 -3.059 -3.136 3.601 1191 HD22 LEU 65 1HD2 LEU 65 -3.153 -1.574 4.423 1192 HD23 LEU 65 2HD2 LEU 65 -4.597 -2.569 4.258 1193 H LEU 66 H LEU 66 -6.402 -5.433 7.024 1194 HA LEU 66 HA LEU 66 -7.142 -3.137 8.437 1195 HB2 LEU 66 2HB LEU 66 -8.737 -5.683 7.910 1196 HB3 LEU 66 1HB LEU 66 -9.438 -4.183 8.498 1197 HG LEU 66 HG LEU 66 -8.143 -4.622 5.787 1198 HD11 LEU 66 1HD1 LEU 66 -11.031 -4.039 6.517 1199 HD12 LEU 66 2HD1 LEU 66 -10.386 -5.586 5.962 1200 HD13 LEU 66 3HD1 LEU 66 -10.381 -4.195 4.881 1201 HD21 LEU 66 3HD2 LEU 66 -8.778 -2.296 5.273 1202 HD22 LEU 66 1HD2 LEU 66 -7.584 -2.388 6.565 1203 HD23 LEU 66 2HD2 LEU 66 -9.276 -2.059 6.950 1204 H LYS 67 H LYS 67 -7.106 -6.526 9.494 1205 HA LYS 67 HA LYS 67 -8.113 -6.276 12.097 1206 HB2 LYS 67 2HB LYS 67 -6.116 -8.243 10.905 1207 HB3 LYS 67 1HB LYS 67 -6.832 -8.446 12.500 1208 HG2 LYS 67 2HG LYS 67 -8.989 -8.863 11.627 1209 HG3 LYS 67 1HG LYS 67 -8.585 -8.173 10.051 1210 HD2 LYS 67 2HD LYS 67 -8.761 -10.707 10.080 1211 HD3 LYS 67 1HD LYS 67 -7.236 -10.076 9.456 1212 HE2 LYS 67 2HE LYS 67 -6.109 -10.592 11.543 1213 HE3 LYS 67 1HE LYS 67 -7.630 -11.087 12.292 1214 HZ1 LYS 67 3HZ LYS 67 -6.265 -12.433 10.025 1215 HZ2 LYS 67 1HZ LYS 67 -7.764 -12.881 10.651 1216 HZ3 LYS 67 2HZ LYS 67 -6.383 -13.003 11.615 1217 H GLU 68 H GLU 68 -4.729 -6.384 11.017 1218 HA GLU 68 HA GLU 68 -3.619 -6.053 13.595 1219 HB2 GLU 68 2HB GLU 68 -2.338 -5.728 10.858 1220 HB3 GLU 68 1HB GLU 68 -1.456 -5.795 12.376 1221 HG2 GLU 68 2HG GLU 68 -3.144 -8.030 11.216 1222 HG3 GLU 68 1HG GLU 68 -1.387 -7.935 11.159 1223 H LEU 69 H LEU 69 -4.359 -3.725 10.997 1224 HA LEU 69 HA LEU 69 -3.196 -1.422 12.165 1225 HB2 LEU 69 2HB LEU 69 -5.586 -1.716 10.308 1226 HB3 LEU 69 1HB LEU 69 -4.983 -0.147 10.819 1227 HG LEU 69 HG LEU 69 -3.390 -2.184 9.207 1228 HD11 LEU 69 1HD1 LEU 69 -5.218 -1.235 7.887 1229 HD12 LEU 69 2HD1 LEU 69 -3.658 -0.651 7.317 1230 HD13 LEU 69 3HD1 LEU 69 -4.688 0.400 8.295 1231 HD21 LEU 69 3HD2 LEU 69 -2.696 0.668 9.946 1232 HD22 LEU 69 1HD2 LEU 69 -1.757 -0.405 8.905 1233 HD23 LEU 69 2HD2 LEU 69 -1.951 -0.790 10.614 1234 H GLY 70 H GLY 70 -6.405 -2.906 12.459 1235 HA2 GLY 70 2HA GLY 70 -7.689 -1.027 14.092 1236 HA3 GLY 70 1HA GLY 70 -8.081 -2.731 13.994 1237 H ASN 71 H ASN 71 -5.620 -3.767 14.931 1238 HA ASN 71 HA ASN 71 -5.800 -3.403 17.806 1239 HB2 ASN 71 2HB ASN 71 -3.712 -4.898 16.147 1240 HB3 ASN 71 1HB ASN 71 -3.724 -4.874 17.908 1241 HD21 ASN 71 1HD2 ASN 71 -5.117 -6.256 15.084 1242 HD22 ASN 71 2HD2 ASN 71 -6.184 -7.350 15.883 1243 H LYS 72 H LYS 72 -3.037 -2.843 15.602 1244 HA LYS 72 HA LYS 72 -1.410 -1.246 17.052 1245 HB2 LYS 72 2HB LYS 72 -1.922 -1.056 14.074 1246 HB3 LYS 72 1HB LYS 72 -0.578 -0.254 14.884 1247 HG2 LYS 72 2HG LYS 72 0.266 -2.475 15.644 1248 HG3 LYS 72 1HG LYS 72 -1.060 -3.249 14.769 1249 HD2 LYS 72 2HD LYS 72 0.981 -3.330 13.425 1250 HD3 LYS 72 1HD LYS 72 -0.213 -2.284 12.645 1251 HE2 LYS 72 2HE LYS 72 1.971 -1.232 12.529 1252 HE3 LYS 72 1HE LYS 72 0.957 -0.297 13.626 1253 HZ1 LYS 72 3HZ LYS 72 3.105 -0.557 14.595 1254 HZ2 LYS 72 1HZ LYS 72 3.090 -2.228 14.355 1255 HZ3 LYS 72 2HZ LYS 72 2.042 -1.530 15.475 1256 H LEU 73 H LEU 73 -4.529 -0.101 16.059 1257 HA LEU 73 HA LEU 73 -3.988 2.697 16.366 1258 HB2 LEU 73 2HB LEU 73 -6.588 1.131 16.565 1259 HB3 LEU 73 1HB LEU 73 -6.510 2.880 16.703 1260 HG LEU 73 HG LEU 73 -5.833 1.232 14.236 1261 HD11 LEU 73 1HD1 LEU 73 -8.237 1.477 14.611 1262 HD12 LEU 73 2HD1 LEU 73 -7.722 2.383 13.188 1263 HD13 LEU 73 3HD1 LEU 73 -8.059 3.233 14.699 1264 HD21 LEU 73 3HD2 LEU 73 -5.436 3.366 13.068 1265 HD22 LEU 73 1HD2 LEU 73 -4.269 3.099 14.362 1266 HD23 LEU 73 2HD2 LEU 73 -5.600 4.233 14.597 1267 H GLU 74 H GLU 74 -3.533 0.408 18.636 1268 HA GLU 74 HA GLU 74 -4.355 1.788 21.025 1269 HB2 GLU 74 2HB GLU 74 -2.094 -0.212 20.522 1270 HB3 GLU 74 1HB GLU 74 -2.562 0.366 22.120 1271 HG2 GLU 74 2HG GLU 74 -4.710 -0.699 21.984 1272 HG3 GLU 74 1HG GLU 74 -4.493 -1.069 20.276 1273 H HIS 75 H HIS 75 -1.893 2.245 18.664 1274 HA HIS 75 HA HIS 75 -0.264 4.026 20.382 1275 HB2 HIS 75 2HB HIS 75 0.388 2.604 17.759 1276 HB3 HIS 75 1HB HIS 75 1.468 3.762 18.534 1277 HD1 HIS 75 HD1 HIS 75 3.236 2.641 19.858 1278 HD2 HIS 75 HD2 HIS 75 -0.246 0.370 19.792 1279 HE1 HIS 75 HE1 HIS 75 3.737 0.596 21.215 1280 HE2 HIS 75 HE2 HIS 75 1.558 -0.642 21.348 1281 H HIS 76 H HIS 76 -2.897 4.514 18.586 1282 HA HIS 76 HA HIS 76 -1.927 6.641 16.831 1283 HB2 HIS 76 2HB HIS 76 -3.908 6.467 15.671 1284 HB3 HIS 76 1HB HIS 76 -3.998 4.913 16.479 1285 HD1 HIS 76 HD1 HIS 76 -5.575 8.301 16.361 1286 HD2 HIS 76 HD2 HIS 76 -6.142 4.706 18.343 1287 HE1 HIS 76 HE1 HIS 76 -7.829 8.469 17.458 1288 HE2 HIS 76 HE2 HIS 76 -8.105 6.315 18.714 1289 H HIS 77 H HIS 77 -2.499 6.485 20.036 1290 HA HIS 77 HA HIS 77 -3.997 8.642 20.822 1291 HB2 HIS 77 2HB HIS 77 -2.469 8.705 22.891 1292 HB3 HIS 77 1HB HIS 77 -3.255 7.175 22.529 1293 HD1 HIS 77 HD1 HIS 77 0.145 8.749 21.703 1294 HD2 HIS 77 HD2 HIS 77 -1.511 5.120 22.859 1295 HE1 HIS 77 HE1 HIS 77 2.076 7.164 21.903 1296 HE2 HIS 77 HE2 HIS 77 1.021 4.938 22.387 1297 H HIS 78 H HIS 78 -3.857 10.770 20.676 1298 HA HIS 78 HA HIS 78 -1.724 11.895 19.040 1299 HB2 HIS 78 2HB HIS 78 -4.102 12.262 18.446 1300 HB3 HIS 78 1HB HIS 78 -4.370 13.090 19.973 1301 HD1 HIS 78 HD1 HIS 78 -4.247 15.558 19.800 1302 HD2 HIS 78 HD2 HIS 78 -2.019 13.706 16.824 1303 HE1 HIS 78 HE1 HIS 78 -3.393 17.411 18.344 1304 HE2 HIS 78 HE2 HIS 78 -2.160 16.261 16.482 1305 H HIS 79 H HIS 79 -3.302 12.637 22.189 1306 HA HIS 79 HA HIS 79 -0.956 13.704 23.410 1307 HB2 HIS 79 2HB HIS 79 -1.402 15.547 21.746 1308 HB3 HIS 79 1HB HIS 79 -2.991 15.783 22.453 1309 HD1 HIS 79 HD1 HIS 79 -3.002 16.697 24.982 1310 HD2 HIS 79 HD2 HIS 79 0.626 16.957 22.971 1311 HE1 HIS 79 HE1 HIS 79 -1.644 18.376 26.255 1312 HE2 HIS 79 HE2 HIS 79 0.455 18.647 24.912 1313 H HIS 80 H HIS 80 -1.610 12.574 25.266 1314 HA HIS 80 HA HIS 80 -4.056 12.762 26.581 1315 HB2 HIS 80 2HB HIS 80 -2.921 12.130 28.687 1316 HB3 HIS 80 1HB HIS 80 -2.446 11.122 27.332 1317 HD1 HIS 80 HD1 HIS 80 0.047 11.204 26.607 1318 HD2 HIS 80 HD2 HIS 80 -0.828 13.628 29.868 1319 HE1 HIS 80 HE1 HIS 80 2.262 11.857 27.591 1320 HE2 HIS 80 HE2 HIS 80 1.695 13.170 29.649
Contact the webmaster for help, if required. Monday, May 27, 2024 3:08:44 AM GMT (wattos1)