NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22484 | 2jov | 15203 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HT1 MET 1 -20.319 -5.431 8.201 2 2H MET 1 HT2 MET 1 -21.663 -6.245 7.570 3 3H MET 1 HT3 MET 1 -20.899 -6.832 8.965 4 HA MET 1 HA MET 1 -22.931 -5.738 9.562 5 1HB MET 1 HB2 MET 1 -20.522 -4.043 10.266 6 2HB MET 1 HB1 MET 1 -22.043 -4.085 11.145 7 1HG MET 1 HG2 MET 1 -20.061 -6.330 10.859 8 2HG MET 1 HG1 MET 1 -20.406 -5.395 12.312 9 1HE MET 1 HE1 MET 1 -20.391 -8.591 12.185 10 2HE MET 1 HE2 MET 1 -21.819 -8.964 13.151 11 3HE MET 1 HE3 MET 1 -20.721 -7.679 13.660 12 H HIS 2 HN HIS 2 -20.753 -3.086 8.557 13 HA HIS 2 HA HIS 2 -22.993 -2.012 6.963 14 1HB HIS 2 HB2 HIS 2 -20.862 -0.433 8.430 15 2HB HIS 2 HB1 HIS 2 -22.086 0.256 7.370 16 HD1 HIS 2 HD1 HIS 2 -24.672 -0.533 8.272 17 HD2 HIS 2 HD2 HIS 2 -21.558 -0.191 11.009 18 HE1 HIS 2 HE1 HIS 2 -25.770 -0.225 10.516 19 HE2 HIS 2 HE2 HIS 2 -23.866 0.134 12.133 20 H LYS 3 HN LYS 3 -19.536 -1.312 7.315 21 HA LYS 3 HA LYS 3 -19.114 -2.088 4.520 22 1HB LYS 3 HB2 LYS 3 -18.246 0.511 5.800 23 2HB LYS 3 HB1 LYS 3 -17.586 -0.091 4.285 24 1HG LYS 3 HG2 LYS 3 -19.865 -0.057 3.321 25 2HG LYS 3 HG1 LYS 3 -20.452 0.663 4.827 26 1HD LYS 3 HD2 LYS 3 -18.973 2.578 4.486 27 2HD LYS 3 HD1 LYS 3 -18.359 1.848 3.000 28 1HE LYS 3 HE2 LYS 3 -20.737 1.847 2.162 29 2HE LYS 3 HE1 LYS 3 -21.143 2.848 3.556 30 1HZ LYS 3 HZ1 LYS 3 -19.494 4.475 2.784 31 2HZ LYS 3 HZ2 LYS 3 -20.732 4.228 1.649 32 3HZ LYS 3 HZ3 LYS 3 -19.205 3.523 1.405 33 H ASP 4 HN ASP 4 -16.723 -2.331 4.054 34 HA ASP 4 HA ASP 4 -15.453 -3.503 6.453 35 1HB ASP 4 HB2 ASP 4 -16.313 -5.043 4.570 36 2HB ASP 4 HB1 ASP 4 -14.963 -4.428 3.625 37 H ILE 5 HN ILE 5 -13.234 -3.191 6.741 38 HA ILE 5 HA ILE 5 -12.105 -0.837 5.660 39 HB ILE 5 HB ILE 5 -10.936 -3.071 7.312 40 1HG1 ILE 5 HG12 ILE 5 -12.490 -1.455 8.389 41 2HG1 ILE 5 HG11 ILE 5 -10.865 -1.402 9.067 42 1HG2 ILE 5 HG21 ILE 5 -8.892 -1.723 7.550 43 2HG2 ILE 5 HG22 ILE 5 -9.502 -0.605 6.328 44 3HG2 ILE 5 HG23 ILE 5 -9.139 -2.275 5.894 45 1HD1 ILE 5 HD11 ILE 5 -10.385 0.591 7.713 46 2HD1 ILE 5 HD12 ILE 5 -11.745 0.831 8.813 47 3HD1 ILE 5 HD13 ILE 5 -12.039 0.547 7.097 48 H PHE 6 HN PHE 6 -11.271 -0.578 3.728 49 HA PHE 6 HA PHE 6 -10.797 -2.612 1.877 50 1HB PHE 6 HB2 PHE 6 -11.165 -0.367 1.106 51 2HB PHE 6 HB1 PHE 6 -9.779 0.232 2.016 52 HD1 PHE 6 HD1 PHE 6 -10.756 -1.909 -0.839 53 HD2 PHE 6 HD2 PHE 6 -7.635 0.263 1.069 54 HE1 PHE 6 HE1 PHE 6 -9.322 -2.247 -2.806 55 HE2 PHE 6 HE2 PHE 6 -6.195 -0.070 -0.897 56 HZ PHE 6 HZ PHE 6 -7.039 -1.329 -2.838 57 H THR 7 HN THR 7 -9.220 -4.029 1.722 58 HA THR 7 HA THR 7 -6.497 -3.265 2.426 59 HB THR 7 HB THR 7 -7.748 -5.842 3.425 60 HG1 THR 7 HG1 THR 7 -7.889 -3.411 4.458 61 1HG2 THR 7 HG21 THR 7 -5.015 -4.638 3.903 62 2HG2 THR 7 HG22 THR 7 -5.364 -6.055 2.911 63 3HG2 THR 7 HG23 THR 7 -5.636 -6.110 4.653 64 H SER 8 HN SER 8 -5.229 -3.794 0.737 65 HA SER 8 HA SER 8 -5.855 -6.107 -0.913 66 1HB SER 8 HB2 SER 8 -7.176 -4.030 -1.720 67 2HB SER 8 HB1 SER 8 -5.612 -3.408 -2.243 68 HG SER 8 HG SER 8 -7.090 -4.806 -3.704 69 H VAL 9 HN VAL 9 -4.179 -6.010 -2.879 70 HA VAL 9 HA VAL 9 -1.564 -5.357 -1.678 71 HB VAL 9 HB VAL 9 -2.207 -7.575 -3.632 72 1HG1 VAL 9 HG11 VAL 9 0.355 -6.902 -2.197 73 2HG1 VAL 9 HG12 VAL 9 0.041 -6.703 -3.921 74 3HG1 VAL 9 HG13 VAL 9 0.086 -8.318 -3.214 75 1HG2 VAL 9 HG21 VAL 9 -3.120 -8.058 -1.427 76 2HG2 VAL 9 HG22 VAL 9 -1.554 -7.716 -0.688 77 3HG2 VAL 9 HG23 VAL 9 -1.739 -9.099 -1.768 78 H VAL 10 HN VAL 10 -0.480 -3.807 -2.710 79 HA VAL 10 HA VAL 10 -1.118 -3.330 -5.548 80 HB VAL 10 HB VAL 10 -1.742 -1.463 -4.049 81 1HG1 VAL 10 HG11 VAL 10 -0.055 -1.734 -2.332 82 2HG1 VAL 10 HG12 VAL 10 -0.007 -0.101 -2.993 83 3HG1 VAL 10 HG13 VAL 10 1.209 -1.283 -3.476 84 1HG2 VAL 10 HG21 VAL 10 -1.189 -0.974 -6.355 85 2HG2 VAL 10 HG22 VAL 10 0.519 -0.842 -5.942 86 3HG2 VAL 10 HG23 VAL 10 -0.633 0.332 -5.309 87 H ARG 11 HN ARG 11 0.607 -2.780 -6.958 88 HA ARG 11 HA ARG 11 2.986 -4.295 -6.424 89 1HB ARG 11 HB2 ARG 11 2.185 -2.606 -8.795 90 2HB ARG 11 HB1 ARG 11 3.623 -3.615 -8.732 91 1HG ARG 11 HG2 ARG 11 2.233 -5.602 -8.489 92 2HG ARG 11 HG1 ARG 11 0.782 -4.596 -8.520 93 1HD ARG 11 HD2 ARG 11 1.292 -3.866 -10.765 94 2HD ARG 11 HD1 ARG 11 2.812 -4.756 -10.742 95 HE ARG 11 HE ARG 11 0.479 -6.396 -10.287 96 1HH1 ARG 11 HH11 ARG 11 2.548 -4.953 -12.735 97 2HH1 ARG 11 HH12 ARG 11 2.171 -6.156 -13.930 98 1HH2 ARG 11 HH21 ARG 11 0.015 -7.991 -11.864 99 2HH2 ARG 11 HH22 ARG 11 0.758 -7.889 -13.436 100 H VAL 12 HN VAL 12 4.973 -3.579 -5.908 101 HA VAL 12 HA VAL 12 5.313 -0.665 -5.619 102 HB VAL 12 HB VAL 12 6.864 -2.767 -4.114 103 1HG1 VAL 12 HG11 VAL 12 6.457 0.181 -3.633 104 2HG1 VAL 12 HG12 VAL 12 7.929 -0.588 -4.223 105 3HG1 VAL 12 HG13 VAL 12 7.361 -0.911 -2.585 106 1HG2 VAL 12 HG21 VAL 12 5.407 -2.337 -2.209 107 2HG2 VAL 12 HG22 VAL 12 4.508 -3.007 -3.571 108 3HG2 VAL 12 HG23 VAL 12 4.408 -1.283 -3.210 109 H ARG 13 HN ARG 13 6.569 0.152 -7.129 110 HA ARG 13 HA ARG 13 8.329 -1.607 -8.654 111 1HB ARG 13 HB2 ARG 13 6.647 -0.018 -9.706 112 2HB ARG 13 HB1 ARG 13 7.686 1.296 -9.180 113 1HG ARG 13 HG2 ARG 13 8.141 0.834 -11.473 114 2HG ARG 13 HG1 ARG 13 9.525 0.298 -10.519 115 1HD ARG 13 HD2 ARG 13 8.908 -1.976 -10.727 116 2HD ARG 13 HD1 ARG 13 7.309 -1.560 -11.342 117 HE ARG 13 HE ARG 13 9.313 -0.543 -13.059 118 1HH1 ARG 13 HH11 ARG 13 7.842 -3.581 -12.117 119 2HH1 ARG 13 HH12 ARG 13 8.069 -4.317 -13.680 120 1HH2 ARG 13 HH21 ARG 13 9.599 -1.496 -15.102 121 2HH2 ARG 13 HH22 ARG 13 9.070 -3.130 -15.375 122 H GLY 14 HN GLY 14 10.196 -1.864 -7.480 123 1HA GLY 14 HA2 GLY 14 12.267 -0.126 -7.850 124 2HA GLY 14 HA1 GLY 14 11.585 0.350 -6.299 125 H SER 15 HN SER 15 14.190 -0.615 -6.527 126 HA SER 15 HA SER 15 14.132 -3.409 -5.749 127 1HB SER 15 HB2 SER 15 15.974 -2.381 -7.163 128 2HB SER 15 HB1 SER 15 16.511 -1.539 -5.711 129 HG SER 15 HG SER 15 16.825 -4.160 -6.447 130 H LYS 16 HN LYS 16 13.245 -3.700 -3.813 131 HA LYS 16 HA LYS 16 14.445 -2.453 -1.494 132 1HB LYS 16 HB2 LYS 16 12.028 -1.923 -0.657 133 2HB LYS 16 HB1 LYS 16 12.852 -0.787 -1.711 134 1HG LYS 16 HG2 LYS 16 10.593 -0.970 -2.439 135 2HG LYS 16 HG1 LYS 16 11.613 -1.772 -3.636 136 1HD LYS 16 HD2 LYS 16 11.054 -3.940 -2.662 137 2HD LYS 16 HD1 LYS 16 10.036 -3.145 -1.461 138 1HE LYS 16 HE2 LYS 16 8.508 -3.833 -3.050 139 2HE LYS 16 HE1 LYS 16 8.817 -2.162 -3.516 140 1HZ LYS 16 HZ1 LYS 16 8.861 -3.528 -5.455 141 2HZ LYS 16 HZ2 LYS 16 9.974 -4.598 -4.750 142 3HZ LYS 16 HZ3 LYS 16 10.450 -3.020 -5.145 143 H LYS 17 HN LYS 17 14.555 -5.039 -2.427 144 HA LYS 17 HA LYS 17 14.485 -7.167 -1.679 145 1HB LYS 17 HB2 LYS 17 14.738 -6.117 0.574 146 2HB LYS 17 HB1 LYS 17 12.988 -6.129 0.729 147 1HG LYS 17 HG2 LYS 17 12.949 -8.534 0.653 148 2HG LYS 17 HG1 LYS 17 14.683 -8.584 0.334 149 1HD LYS 17 HD2 LYS 17 15.047 -7.463 2.531 150 2HD LYS 17 HD1 LYS 17 13.318 -7.625 2.845 151 1HE LYS 17 HE2 LYS 17 15.168 -9.929 2.249 152 2HE LYS 17 HE1 LYS 17 14.714 -9.417 3.871 153 1HZ LYS 17 HZ1 LYS 17 12.533 -10.090 3.562 154 2HZ LYS 17 HZ2 LYS 17 13.416 -11.313 2.783 155 3HZ LYS 17 HZ3 LYS 17 12.654 -10.108 1.870 156 H TYR 18 HN TYR 18 11.354 -5.822 -0.593 157 HA TYR 18 HA TYR 18 9.926 -8.151 -1.458 158 1HB TYR 18 HB2 TYR 18 9.051 -5.454 -0.432 159 2HB TYR 18 HB1 TYR 18 7.899 -6.686 -0.932 160 HD1 TYR 18 HD1 TYR 18 7.580 -8.694 0.386 161 HD2 TYR 18 HD2 TYR 18 10.354 -5.711 1.607 162 HE1 TYR 18 HE1 TYR 18 7.658 -9.695 2.628 163 HE2 TYR 18 HE2 TYR 18 10.441 -6.707 3.853 164 HH TYR 18 HH TYR 18 9.165 -9.777 4.560 165 H ASN 19 HN ASN 19 7.739 -7.566 -2.752 166 HA ASN 19 HA ASN 19 8.526 -6.016 -5.127 167 1HB ASN 19 HB2 ASN 19 7.488 -7.666 -6.585 168 2HB ASN 19 HB1 ASN 19 8.761 -8.406 -5.627 169 1HD2 ASN 19 HD21 ASN 19 8.169 -9.820 -3.913 170 2HD2 ASN 19 HD22 ASN 19 6.617 -10.586 -3.905 171 H VAL 20 HN VAL 20 5.915 -7.209 -3.116 172 HA VAL 20 HA VAL 20 4.262 -4.974 -4.098 173 HB VAL 20 HB VAL 20 2.234 -6.379 -3.657 174 1HG1 VAL 20 HG11 VAL 20 3.014 -6.036 -5.932 175 2HG1 VAL 20 HG12 VAL 20 2.376 -7.670 -5.739 176 3HG1 VAL 20 HG13 VAL 20 4.119 -7.401 -5.777 177 1HG2 VAL 20 HG21 VAL 20 2.492 -8.817 -3.591 178 2HG2 VAL 20 HG22 VAL 20 3.241 -8.044 -2.193 179 3HG2 VAL 20 HG23 VAL 20 4.244 -8.627 -3.523 180 H VAL 21 HN VAL 21 2.670 -4.204 -2.497 181 HA VAL 21 HA VAL 21 3.455 -4.880 0.258 182 HB VAL 21 HB VAL 21 4.463 -2.708 -0.480 183 1HG1 VAL 21 HG11 VAL 21 1.606 -1.762 -0.534 184 2HG1 VAL 21 HG12 VAL 21 2.689 -1.905 -1.919 185 3HG1 VAL 21 HG13 VAL 21 3.036 -0.734 -0.645 186 1HG2 VAL 21 HG21 VAL 21 2.492 -2.649 1.791 187 2HG2 VAL 21 HG22 VAL 21 3.747 -1.439 1.528 188 3HG2 VAL 21 HG23 VAL 21 4.192 -3.114 1.850 189 HA PRO 22 HA PRO 22 -0.978 -5.231 0.815 190 1HB PRO 22 HB2 PRO 22 -0.932 -5.617 3.500 191 2HB PRO 22 HB1 PRO 22 -0.535 -6.893 2.342 192 1HG PRO 22 HG2 PRO 22 1.290 -5.149 3.943 193 2HG PRO 22 HG1 PRO 22 1.420 -6.880 3.588 194 1HD PRO 22 HD2 PRO 22 2.841 -4.974 2.261 195 2HD PRO 22 HD1 PRO 22 2.356 -6.513 1.522 196 H VAL 23 HN VAL 23 -2.187 -3.473 0.741 197 HA VAL 23 HA VAL 23 -1.591 -1.252 2.578 198 HB VAL 23 HB VAL 23 -2.739 0.223 0.955 199 1HG1 VAL 23 HG11 VAL 23 -0.442 -1.343 -0.204 200 2HG1 VAL 23 HG12 VAL 23 -0.309 0.006 0.925 201 3HG1 VAL 23 HG13 VAL 23 -0.948 0.272 -0.699 202 1HG2 VAL 23 HG21 VAL 23 -4.163 -1.426 -0.132 203 2HG2 VAL 23 HG22 VAL 23 -2.741 -2.218 -0.813 204 3HG2 VAL 23 HG23 VAL 23 -3.167 -0.582 -1.319 205 H LYS 24 HN LYS 24 -3.328 -0.164 3.543 206 HA LYS 24 HA LYS 24 -5.944 -1.453 3.372 207 1HB LYS 24 HB2 LYS 24 -6.174 -1.374 5.831 208 2HB LYS 24 HB1 LYS 24 -4.897 -2.466 5.313 209 1HG LYS 24 HG2 LYS 24 -3.208 -0.878 5.919 210 2HG LYS 24 HG1 LYS 24 -4.427 0.349 6.267 211 1HD LYS 24 HD2 LYS 24 -3.560 -0.697 8.313 212 2HD LYS 24 HD1 LYS 24 -5.286 -0.987 8.101 213 1HE LYS 24 HE2 LYS 24 -4.789 -3.216 7.197 214 2HE LYS 24 HE1 LYS 24 -3.067 -2.924 7.442 215 1HZ LYS 24 HZ1 LYS 24 -3.473 -2.722 9.818 216 2HZ LYS 24 HZ2 LYS 24 -4.011 -4.225 9.245 217 3HZ LYS 24 HZ3 LYS 24 -5.133 -2.998 9.578 218 H SER 25 HN SER 25 -7.589 -0.086 4.604 219 HA SER 25 HA SER 25 -6.991 2.730 4.042 220 1HB SER 25 HB2 SER 25 -8.816 1.657 2.707 221 2HB SER 25 HB1 SER 25 -9.713 1.435 4.209 222 HG SER 25 HG SER 25 -8.806 3.936 3.208 223 H ASN 26 HN ASN 26 -7.858 4.335 5.411 224 HA ASN 26 HA ASN 26 -7.634 3.661 8.196 225 1HB ASN 26 HB2 ASN 26 -7.958 6.093 8.563 226 2HB ASN 26 HB1 ASN 26 -6.675 5.746 7.412 227 1HD2 ASN 26 HD21 ASN 26 -8.236 8.180 7.773 228 2HD2 ASN 26 HD22 ASN 26 -8.954 8.504 6.238 229 H LYS 27 HN LYS 27 -10.235 4.344 5.963 230 HA LYS 27 HA LYS 27 -12.139 4.095 8.193 231 1HB LYS 27 HB2 LYS 27 -12.230 5.936 5.806 232 2HB LYS 27 HB1 LYS 27 -13.651 5.587 6.784 233 1HG LYS 27 HG2 LYS 27 -12.627 6.524 8.730 234 2HG LYS 27 HG1 LYS 27 -11.087 6.706 7.891 235 1HD LYS 27 HD2 LYS 27 -13.610 8.088 7.002 236 2HD LYS 27 HD1 LYS 27 -12.478 8.806 8.151 237 1HE LYS 27 HE2 LYS 27 -10.683 8.563 6.454 238 2HE LYS 27 HE1 LYS 27 -11.888 7.974 5.311 239 1HZ LYS 27 HZ1 LYS 27 -11.892 10.650 6.597 240 2HZ LYS 27 HZ2 LYS 27 -13.043 10.087 5.487 241 3HZ LYS 27 HZ3 LYS 27 -11.438 10.325 4.998 242 HA PRO 28 HA PRO 28 -13.915 0.648 6.194 243 1HB PRO 28 HB2 PRO 28 -16.605 1.628 6.900 244 2HB PRO 28 HB1 PRO 28 -15.768 0.166 7.426 245 1HG PRO 28 HG2 PRO 28 -16.149 2.225 9.090 246 2HG PRO 28 HG1 PRO 28 -14.667 1.248 9.142 247 1HD PRO 28 HD2 PRO 28 -15.115 3.950 7.925 248 2HD PRO 28 HD1 PRO 28 -13.736 3.355 8.875 249 H VAL 29 HN VAL 29 -14.567 0.063 4.221 250 HA VAL 29 HA VAL 29 -15.944 2.069 2.541 251 HB VAL 29 HB VAL 29 -14.128 0.092 1.265 252 1HG1 VAL 29 HG11 VAL 29 -13.706 1.966 -0.252 253 2HG1 VAL 29 HG12 VAL 29 -14.713 3.002 0.760 254 3HG1 VAL 29 HG13 VAL 29 -15.428 1.626 -0.081 255 1HG2 VAL 29 HG21 VAL 29 -13.067 2.517 2.714 256 2HG2 VAL 29 HG22 VAL 29 -12.147 1.499 1.606 257 3HG2 VAL 29 HG23 VAL 29 -12.750 0.830 3.127 258 H GLU 30 HN GLU 30 -17.431 1.195 0.990 259 HA GLU 30 HA GLU 30 -18.580 -1.311 1.713 260 1HB GLU 30 HB2 GLU 30 -19.958 -1.004 -0.377 261 2HB GLU 30 HB1 GLU 30 -20.072 0.295 0.798 262 1HG GLU 30 HG2 GLU 30 -18.071 0.586 -1.361 263 2HG GLU 30 HG1 GLU 30 -19.773 0.724 -1.793 264 H ILE 31 HN ILE 31 -18.613 -3.256 0.549 265 HA ILE 31 HA ILE 31 -16.062 -4.061 -0.291 266 HB ILE 31 HB ILE 31 -17.462 -5.682 0.709 267 1HG1 ILE 31 HG12 ILE 31 -17.256 -6.364 -2.233 268 2HG1 ILE 31 HG11 ILE 31 -15.968 -6.550 -1.048 269 1HG2 ILE 31 HG21 ILE 31 -19.587 -6.427 -0.256 270 2HG2 ILE 31 HG22 ILE 31 -19.442 -5.189 -1.504 271 3HG2 ILE 31 HG23 ILE 31 -19.607 -4.720 0.190 272 1HD1 ILE 31 HD11 ILE 31 -17.035 -8.670 -1.521 273 2HD1 ILE 31 HD12 ILE 31 -18.599 -8.006 -1.044 274 3HD1 ILE 31 HD13 ILE 31 -17.317 -8.190 0.152 275 H SER 32 HN SER 32 -18.782 -2.863 -2.102 276 HA SER 32 HA SER 32 -17.966 -3.747 -4.658 277 1HB SER 32 HB2 SER 32 -19.403 -1.630 -5.321 278 2HB SER 32 HB1 SER 32 -20.169 -3.062 -4.632 279 HG SER 32 HG SER 32 -20.268 -0.606 -3.705 280 H LYS 33 HN LYS 33 -16.969 -1.097 -2.628 281 HA LYS 33 HA LYS 33 -15.488 0.161 -4.797 282 1HB LYS 33 HB2 LYS 33 -15.817 0.894 -1.888 283 2HB LYS 33 HB1 LYS 33 -14.796 1.789 -3.005 284 1HG LYS 33 HG2 LYS 33 -17.758 1.363 -3.344 285 2HG LYS 33 HG1 LYS 33 -17.010 2.814 -2.675 286 1HD LYS 33 HD2 LYS 33 -16.331 1.763 -5.408 287 2HD LYS 33 HD1 LYS 33 -17.665 2.887 -5.130 288 1HE LYS 33 HE2 LYS 33 -16.109 4.500 -4.162 289 2HE LYS 33 HE1 LYS 33 -14.777 3.370 -4.407 290 1HZ LYS 33 HZ1 LYS 33 -16.436 4.202 -6.695 291 2HZ LYS 33 HZ2 LYS 33 -14.822 3.665 -6.678 292 3HZ LYS 33 HZ3 LYS 33 -15.210 5.225 -6.129 293 H TRP 34 HN TRP 34 -14.980 -2.061 -2.199 294 HA TRP 34 HA TRP 34 -12.205 -1.919 -1.911 295 1HB TRP 34 HB2 TRP 34 -13.521 -3.350 -0.463 296 2HB TRP 34 HB1 TRP 34 -14.045 -4.326 -1.830 297 HD1 TRP 34 HD1 TRP 34 -10.967 -3.688 0.381 298 HE1 TRP 34 HE1 TRP 34 -9.350 -5.686 0.132 299 HE3 TRP 34 HE3 TRP 34 -13.360 -6.206 -3.366 300 HZ2 TRP 34 HZ2 TRP 34 -9.135 -8.014 -1.440 301 HZ3 TRP 34 HZ3 TRP 34 -12.384 -8.308 -4.186 302 HH2 TRP 34 HH2 TRP 34 -10.315 -9.193 -3.243 303 H ILE 35 HN ILE 35 -14.193 -3.622 -4.278 304 HA ILE 35 HA ILE 35 -12.062 -4.735 -5.778 305 HB ILE 35 HB ILE 35 -14.825 -3.995 -6.769 306 1HG1 ILE 35 HG12 ILE 35 -13.880 -6.608 -5.563 307 2HG1 ILE 35 HG11 ILE 35 -14.884 -5.425 -4.730 308 1HG2 ILE 35 HG21 ILE 35 -14.448 -5.789 -8.406 309 2HG2 ILE 35 HG22 ILE 35 -12.820 -6.014 -7.768 310 3HG2 ILE 35 HG23 ILE 35 -13.255 -4.497 -8.555 311 1HD1 ILE 35 HD11 ILE 35 -16.637 -5.753 -6.407 312 2HD1 ILE 35 HD12 ILE 35 -16.225 -7.252 -5.572 313 3HD1 ILE 35 HD13 ILE 35 -15.632 -6.959 -7.207 314 H ASP 36 HN ASP 36 -13.967 -1.775 -6.083 315 HA ASP 36 HA ASP 36 -12.947 -0.853 -8.512 316 1HB ASP 36 HB2 ASP 36 -14.970 0.052 -7.459 317 2HB ASP 36 HB1 ASP 36 -13.996 0.752 -6.172 318 H PHE 37 HN PHE 37 -11.854 -0.164 -5.189 319 HA PHE 37 HA PHE 37 -9.770 1.586 -5.980 320 1HB PHE 37 HB2 PHE 37 -10.147 -0.009 -3.442 321 2HB PHE 37 HB1 PHE 37 -8.862 1.169 -3.675 322 HD1 PHE 37 HD2 PHE 37 -10.961 2.918 -5.399 323 HD2 PHE 37 HD1 PHE 37 -10.822 1.302 -1.464 324 HE1 PHE 37 HE2 PHE 37 -12.459 4.704 -4.614 325 HE2 PHE 37 HE1 PHE 37 -12.316 3.086 -0.674 326 HZ PHE 37 HZ PHE 37 -13.135 4.791 -2.248 327 H SER 38 HN SER 38 -9.906 -1.901 -5.419 328 HA SER 38 HA SER 38 -7.138 -2.391 -5.653 329 1HB SER 38 HB2 SER 38 -9.476 -4.210 -6.280 330 2HB SER 38 HB1 SER 38 -7.800 -4.735 -6.124 331 HG SER 38 HG SER 38 -9.600 -3.869 -4.155 332 H ASN 39 HN ASN 39 -9.718 -2.063 -8.017 333 HA ASN 39 HA ASN 39 -8.286 -2.837 -10.312 334 1HB ASN 39 HB2 ASN 39 -10.549 -0.866 -9.955 335 2HB ASN 39 HB1 ASN 39 -9.903 -1.310 -11.530 336 1HD2 ASN 39 HD21 ASN 39 -12.568 -1.686 -10.410 337 2HD2 ASN 39 HD22 ASN 39 -12.886 -3.386 -10.497 338 H VAL 40 HN VAL 40 -8.546 0.248 -8.622 339 HA VAL 40 HA VAL 40 -7.025 1.785 -10.441 340 HB VAL 40 HB VAL 40 -7.324 2.198 -7.456 341 1HG1 VAL 40 HG11 VAL 40 -6.856 4.548 -7.960 342 2HG1 VAL 40 HG12 VAL 40 -6.589 4.130 -9.652 343 3HG1 VAL 40 HG13 VAL 40 -5.504 3.508 -8.408 344 1HG2 VAL 40 HG21 VAL 40 -9.154 3.721 -8.054 345 2HG2 VAL 40 HG22 VAL 40 -9.496 2.060 -8.535 346 3HG2 VAL 40 HG23 VAL 40 -8.989 3.241 -9.742 347 H LEU 41 HN LEU 41 -6.161 -0.040 -7.530 348 HA LEU 41 HA LEU 41 -3.431 0.663 -7.498 349 1HB LEU 41 HB2 LEU 41 -4.782 -1.809 -6.419 350 2HB LEU 41 HB1 LEU 41 -3.150 -1.299 -6.031 351 HG LEU 41 HG LEU 41 -5.683 0.193 -5.335 352 1HD1 LEU 41 HD11 LEU 41 -5.347 -1.823 -4.009 353 2HD1 LEU 41 HD12 LEU 41 -5.094 -0.374 -3.036 354 3HD1 LEU 41 HD13 LEU 41 -3.709 -1.300 -3.614 355 1HD2 LEU 41 HD21 LEU 41 -3.845 1.732 -5.790 356 2HD2 LEU 41 HD22 LEU 41 -2.802 0.829 -4.692 357 3HD2 LEU 41 HD23 LEU 41 -4.212 1.685 -4.064 358 H SER 42 HN SER 42 -5.193 -1.558 -9.448 359 HA SER 42 HA SER 42 -3.008 -3.273 -10.099 360 1HB SER 42 HB2 SER 42 -5.638 -2.813 -11.527 361 2HB SER 42 HB1 SER 42 -4.505 -4.119 -11.879 362 HG SER 42 HG SER 42 -5.829 -3.663 -9.399 363 H ARG 43 HN ARG 43 -3.843 -0.112 -11.059 364 HA ARG 43 HA ARG 43 -2.025 -0.314 -13.377 365 1HB ARG 43 HB2 ARG 43 -3.088 1.524 -14.376 366 2HB ARG 43 HB1 ARG 43 -4.428 0.633 -13.669 367 1HG ARG 43 HG2 ARG 43 -4.571 2.159 -11.837 368 2HG ARG 43 HG1 ARG 43 -3.082 2.964 -12.327 369 1HD ARG 43 HD2 ARG 43 -4.346 3.446 -14.531 370 2HD ARG 43 HD1 ARG 43 -5.795 3.075 -13.593 371 HE ARG 43 HE ARG 43 -3.932 5.047 -12.502 372 1HH1 ARG 43 HH11 ARG 43 -7.001 4.436 -14.108 373 2HH1 ARG 43 HH12 ARG 43 -7.627 6.021 -13.744 374 1HH2 ARG 43 HH21 ARG 43 -4.746 7.094 -12.059 375 2HH2 ARG 43 HH22 ARG 43 -6.348 7.538 -12.589 376 H LEU 44 HN LEU 44 -1.912 0.260 -10.241 377 HA LEU 44 HA LEU 44 -0.420 2.788 -10.379 378 1HB LEU 44 HB2 LEU 44 -2.572 2.632 -9.034 379 2HB LEU 44 HB1 LEU 44 -1.709 1.573 -7.939 380 HG LEU 44 HG LEU 44 -0.622 4.308 -8.509 381 1HD1 LEU 44 HD11 LEU 44 -2.965 4.665 -7.964 382 2HD1 LEU 44 HD12 LEU 44 -1.934 5.171 -6.626 383 3HD1 LEU 44 HD13 LEU 44 -2.806 3.640 -6.539 384 1HD2 LEU 44 HD21 LEU 44 0.746 2.742 -7.230 385 2HD2 LEU 44 HD22 LEU 44 -0.580 2.503 -6.092 386 3HD2 LEU 44 HD23 LEU 44 0.202 4.078 -6.214 387 H TYR 45 HN TYR 45 1.638 2.853 -9.762 388 HA TYR 45 HA TYR 45 2.770 0.461 -8.473 389 1HB TYR 45 HB2 TYR 45 3.831 2.167 -10.702 390 2HB TYR 45 HB1 TYR 45 4.947 1.312 -9.642 391 HD1 TYR 45 HD2 TYR 45 2.335 0.923 -12.203 392 HD2 TYR 45 HD1 TYR 45 5.169 -1.070 -9.736 393 HE1 TYR 45 HE2 TYR 45 2.066 -1.119 -13.551 394 HE2 TYR 45 HE1 TYR 45 4.912 -3.112 -11.074 395 HH TYR 45 HH TYR 45 3.357 -3.159 -14.082 396 H VAL 46 HN VAL 46 3.125 0.959 -6.423 397 HA VAL 46 HA VAL 46 3.884 3.605 -5.560 398 HB VAL 46 HB VAL 46 3.996 1.011 -4.003 399 1HG1 VAL 46 HG11 VAL 46 5.293 2.812 -3.001 400 2HG1 VAL 46 HG12 VAL 46 3.866 2.450 -2.030 401 3HG1 VAL 46 HG13 VAL 46 3.888 3.876 -3.069 402 1HG2 VAL 46 HG21 VAL 46 1.743 1.356 -4.823 403 2HG2 VAL 46 HG22 VAL 46 1.751 3.011 -4.213 404 3HG2 VAL 46 HG23 VAL 46 1.809 1.654 -3.086 405 H GLY 47 HN GLY 47 5.955 4.361 -5.455 406 1HA GLY 47 HA2 GLY 47 8.087 2.347 -5.811 407 2HA GLY 47 HA1 GLY 47 8.137 3.946 -6.537 408 H VAL 48 HN VAL 48 7.076 3.287 -3.266 409 HA VAL 48 HA VAL 48 9.504 4.623 -2.265 410 HB VAL 48 HB VAL 48 6.708 5.112 -1.220 411 1HG1 VAL 48 HG11 VAL 48 7.764 6.889 0.093 412 2HG1 VAL 48 HG12 VAL 48 9.344 6.409 -0.529 413 3HG1 VAL 48 HG13 VAL 48 8.423 5.303 0.492 414 1HG2 VAL 48 HG21 VAL 48 6.928 7.368 -2.164 415 2HG2 VAL 48 HG22 VAL 48 6.973 6.129 -3.417 416 3HG2 VAL 48 HG23 VAL 48 8.466 6.906 -2.894 417 HA PRO 49 HA PRO 49 9.289 1.058 0.530 418 1HB PRO 49 HB2 PRO 49 12.046 1.770 1.137 419 2HB PRO 49 HB1 PRO 49 11.422 0.291 0.403 420 1HG PRO 49 HG2 PRO 49 12.909 2.107 -0.964 421 2HG PRO 49 HG1 PRO 49 11.679 1.085 -1.731 422 1HD PRO 49 HD2 PRO 49 11.500 3.949 -0.880 423 2HD PRO 49 HD1 PRO 49 10.893 3.174 -2.357 424 H THR 50 HN THR 50 8.062 1.840 2.185 425 HA THR 50 HA THR 50 9.258 3.898 3.918 426 HB THR 50 HB THR 50 6.429 4.026 4.080 427 HG1 THR 50 HG1 THR 50 5.814 3.748 2.077 428 1HG2 THR 50 HG21 THR 50 8.418 5.924 2.823 429 2HG2 THR 50 HG22 THR 50 7.998 5.863 4.535 430 3HG2 THR 50 HG23 THR 50 6.784 6.335 3.346 431 H LYS 51 HN LYS 51 7.750 4.081 5.972 432 HA LYS 51 HA LYS 51 7.777 1.481 7.256 433 1HB LYS 51 HB2 LYS 51 7.434 2.712 9.321 434 2HB LYS 51 HB1 LYS 51 8.724 3.466 8.396 435 1HG LYS 51 HG2 LYS 51 7.142 5.174 7.610 436 2HG LYS 51 HG1 LYS 51 5.877 4.430 8.590 437 1HD LYS 51 HD2 LYS 51 7.275 4.819 10.599 438 2HD LYS 51 HD1 LYS 51 8.443 5.664 9.584 439 1HE LYS 51 HE2 LYS 51 7.026 7.274 10.685 440 2HE LYS 51 HE1 LYS 51 6.682 7.276 8.958 441 1HZ LYS 51 HZ1 LYS 51 5.069 5.654 10.834 442 2HZ LYS 51 HZ2 LYS 51 4.656 6.211 9.284 443 3HZ LYS 51 HZ3 LYS 51 4.731 7.292 10.580 444 H SER 52 HN SER 52 5.813 1.422 9.022 445 HA SER 52 HA SER 52 3.528 0.891 7.391 446 1HB SER 52 HB2 SER 52 2.553 0.386 9.782 447 2HB SER 52 HB1 SER 52 3.755 -0.688 9.063 448 HG SER 52 HG SER 52 3.957 0.365 11.366 449 H GLY 53 HN GLY 53 1.605 1.927 7.294 450 1HA GLY 53 HA2 GLY 53 -0.028 3.510 7.833 451 2HA GLY 53 HA1 GLY 53 1.059 4.188 9.039 452 H ASN 54 HN ASN 54 1.988 3.561 5.718 453 HA ASN 54 HA ASN 54 2.419 6.452 5.405 454 1HB ASN 54 HB2 ASN 54 3.912 5.947 3.574 455 2HB ASN 54 HB1 ASN 54 4.346 4.945 4.950 456 1HD2 ASN 54 HD21 ASN 54 4.146 2.742 4.814 457 2HD2 ASN 54 HD22 ASN 54 3.785 1.923 3.331 458 H VAL 55 HN VAL 55 1.233 7.676 4.084 459 HA VAL 55 HA VAL 55 -1.070 6.455 2.834 460 HB VAL 55 HB VAL 55 -0.266 9.375 2.884 461 1HG1 VAL 55 HG11 VAL 55 -2.622 9.808 2.375 462 2HG1 VAL 55 HG12 VAL 55 -2.915 8.071 2.266 463 3HG1 VAL 55 HG13 VAL 55 -1.847 8.859 1.106 464 1HG2 VAL 55 HG21 VAL 55 -2.121 7.856 4.708 465 2HG2 VAL 55 HG22 VAL 55 -1.901 9.605 4.699 466 3HG2 VAL 55 HG23 VAL 55 -0.560 8.550 5.144 467 H VAL 56 HN VAL 56 -1.071 5.764 0.807 468 HA VAL 56 HA VAL 56 0.964 6.597 -1.082 469 HB VAL 56 HB VAL 56 -1.453 4.844 -1.577 470 1HG1 VAL 56 HG11 VAL 56 -0.462 5.718 -3.613 471 2HG1 VAL 56 HG12 VAL 56 -0.138 3.990 -3.467 472 3HG1 VAL 56 HG13 VAL 56 1.130 5.160 -3.101 473 1HG2 VAL 56 HG21 VAL 56 1.340 4.062 -0.763 474 2HG2 VAL 56 HG22 VAL 56 0.076 2.944 -1.272 475 3HG2 VAL 56 HG23 VAL 56 -0.124 3.888 0.204 476 H CYS 57 HN CYS 57 -2.582 6.523 -1.133 477 HA CYS 57 HA CYS 57 -2.560 9.073 -2.578 478 1HB CYS 57 HB2 CYS 57 -4.310 6.681 -3.196 479 2HB CYS 57 HB1 CYS 57 -4.441 8.262 -3.961 480 HG CYS 57 HG CYS 57 -1.382 7.539 -4.420 481 H LYS 58 HN LYS 58 -3.633 10.548 -1.452 482 HA LYS 58 HA LYS 58 -5.672 9.705 0.460 483 1HB LYS 58 HB2 LYS 58 -3.945 11.434 1.066 484 2HB LYS 58 HB1 LYS 58 -4.679 12.502 -0.125 485 1HG LYS 58 HG2 LYS 58 -6.730 12.566 1.097 486 2HG LYS 58 HG1 LYS 58 -6.155 11.330 2.216 487 1HD LYS 58 HD2 LYS 58 -4.298 12.941 2.825 488 2HD LYS 58 HD1 LYS 58 -5.194 14.167 1.922 489 1HE LYS 58 HE2 LYS 58 -7.117 13.866 3.364 490 2HE LYS 58 HE1 LYS 58 -6.299 12.563 4.224 491 1HZ LYS 58 HZ1 LYS 58 -6.059 14.450 5.553 492 2HZ LYS 58 HZ2 LYS 58 -5.662 15.451 4.242 493 3HZ LYS 58 HZ3 LYS 58 -4.557 14.283 4.781 494 H ASN 59 HN ASN 59 -7.819 10.085 0.198 495 HA ASN 59 HA ASN 59 -9.793 10.444 -0.859 496 1HB ASN 59 HB2 ASN 59 -8.196 12.650 -2.166 497 2HB ASN 59 HB1 ASN 59 -9.886 12.359 -2.559 498 1HD2 ASN 59 HD21 ASN 59 -10.542 14.333 -1.799 499 2HD2 ASN 59 HD22 ASN 59 -10.598 14.713 -0.115 500 H ILE 60 HN ILE 60 -8.749 8.243 -1.705 501 HA ILE 60 HA ILE 60 -7.975 8.207 -4.451 502 HB ILE 60 HB ILE 60 -7.226 6.432 -2.982 503 1HG1 ILE 60 HG12 ILE 60 -9.118 5.337 -5.075 504 2HG1 ILE 60 HG11 ILE 60 -7.500 5.947 -5.397 505 1HG2 ILE 60 HG21 ILE 60 -8.760 4.719 -2.131 506 2HG2 ILE 60 HG22 ILE 60 -10.125 5.649 -2.747 507 3HG2 ILE 60 HG23 ILE 60 -9.109 6.316 -1.470 508 1HD1 ILE 60 HD11 ILE 60 -8.182 3.564 -3.689 509 2HD1 ILE 60 HD12 ILE 60 -6.558 4.173 -4.007 510 3HD1 ILE 60 HD13 ILE 60 -7.529 3.522 -5.327 511 H MET 61 HN MET 61 -9.163 8.201 -6.224 512 HA MET 61 HA MET 61 -10.954 8.344 -7.614 513 1HB MET 61 HB2 MET 61 -12.271 6.555 -5.555 514 2HB MET 61 HB1 MET 61 -12.978 6.965 -7.111 515 1HG MET 61 HG2 MET 61 -10.392 5.485 -6.694 516 2HG MET 61 HG1 MET 61 -11.939 4.757 -7.118 517 1HE MET 61 HE1 MET 61 -12.560 6.132 -10.717 518 2HE MET 61 HE2 MET 61 -13.161 6.791 -9.196 519 3HE MET 61 HE3 MET 61 -13.130 5.046 -9.451 520 H ASN 62 HN ASN 62 -10.461 10.149 -5.354 521 HA ASN 62 HA ASN 62 -11.340 11.848 -4.149 522 1HB ASN 62 HB2 ASN 62 -11.794 12.641 -6.476 523 2HB ASN 62 HB1 ASN 62 -13.419 11.970 -6.344 524 1HD2 ASN 62 HD21 ASN 62 -14.358 14.021 -6.601 525 2HD2 ASN 62 HD22 ASN 62 -14.324 15.198 -5.331 526 H THR 63 HN THR 63 -11.891 10.082 -2.640 527 HA THR 63 HA THR 63 -14.788 9.957 -2.164 528 HB THR 63 HB THR 63 -14.092 7.993 -0.645 529 HG1 THR 63 HG1 THR 63 -11.924 7.551 -2.316 530 1HG2 THR 63 HG21 THR 63 -14.105 6.419 -2.526 531 2HG2 THR 63 HG22 THR 63 -13.776 7.745 -3.640 532 3HG2 THR 63 HG23 THR 63 -15.302 7.694 -2.755 533 H GLY 64 HN GLY 64 -11.648 10.654 -0.787 534 1HA GLY 64 HA2 GLY 64 -11.381 12.271 0.969 535 2HA GLY 64 HA1 GLY 64 -12.969 11.811 1.573 536 H VAL 65 HN VAL 65 -11.187 9.144 0.587 537 HA VAL 65 HA VAL 65 -10.647 8.452 3.393 538 HB VAL 65 HB VAL 65 -12.170 7.083 1.768 539 1HG1 VAL 65 HG11 VAL 65 -10.988 5.274 0.600 540 2HG1 VAL 65 HG12 VAL 65 -9.460 6.084 0.948 541 3HG1 VAL 65 HG13 VAL 65 -10.662 6.868 -0.078 542 1HG2 VAL 65 HG21 VAL 65 -10.093 5.759 3.496 543 2HG2 VAL 65 HG22 VAL 65 -11.585 5.005 2.932 544 3HG2 VAL 65 HG23 VAL 65 -11.654 6.388 4.023 545 H ASP 66 HN ASP 66 -8.680 7.234 3.864 546 HA ASP 66 HA ASP 66 -6.469 8.018 2.084 547 1HB ASP 66 HB2 ASP 66 -6.437 7.435 5.059 548 2HB ASP 66 HB1 ASP 66 -5.012 7.796 4.091 549 H ILE 67 HN ILE 67 -5.119 6.486 1.299 550 HA ILE 67 HA ILE 67 -5.552 3.709 2.194 551 HB ILE 67 HB ILE 67 -4.386 4.658 -0.435 552 1HG1 ILE 67 HG12 ILE 67 -6.783 5.118 -0.324 553 2HG1 ILE 67 HG11 ILE 67 -6.467 3.797 -1.442 554 1HG2 ILE 67 HG21 ILE 67 -4.534 2.303 -1.106 555 2HG2 ILE 67 HG22 ILE 67 -5.085 1.881 0.516 556 3HG2 ILE 67 HG23 ILE 67 -3.460 2.524 0.276 557 1HD1 ILE 67 HD11 ILE 67 -7.148 2.193 0.264 558 2HD1 ILE 67 HD12 ILE 67 -8.427 3.356 -0.090 559 3HD1 ILE 67 HD13 ILE 67 -7.467 3.521 1.380 560 H ILE 68 HN ILE 68 -3.972 2.902 3.411 561 HA ILE 68 HA ILE 68 -1.289 4.100 3.165 562 HB ILE 68 HB ILE 68 -1.008 3.831 5.604 563 1HG1 ILE 68 HG12 ILE 68 -3.972 3.211 5.599 564 2HG1 ILE 68 HG11 ILE 68 -2.690 2.054 5.946 565 1HG2 ILE 68 HG21 ILE 68 -1.648 5.988 4.703 566 2HG2 ILE 68 HG22 ILE 68 -2.415 5.727 6.269 567 3HG2 ILE 68 HG23 ILE 68 -3.351 5.540 4.787 568 1HD1 ILE 68 HD11 ILE 68 -3.726 2.841 7.988 569 2HD1 ILE 68 HD12 ILE 68 -3.348 4.508 7.557 570 3HD1 ILE 68 HD13 ILE 68 -2.046 3.371 7.904 571 H CYS 69 HN CYS 69 0.403 2.738 3.066 572 HA CYS 69 HA CYS 69 -0.074 -0.122 3.131 573 1HB CYS 69 HB2 CYS 69 2.676 1.066 3.045 574 2HB CYS 69 HB1 CYS 69 2.063 -0.381 2.253 575 HG CYS 69 HG CYS 69 2.224 2.750 1.139 576 H THR 70 HN THR 70 0.445 -1.482 4.806 577 HA THR 70 HA THR 70 1.409 -0.115 7.233 578 HB THR 70 HB THR 70 -0.900 -0.998 7.379 579 HG1 THR 70 HG1 THR 70 1.009 -2.366 9.009 580 1HG2 THR 70 HG21 THR 70 -1.299 -3.416 7.424 581 2HG2 THR 70 HG22 THR 70 0.386 -3.701 6.987 582 3HG2 THR 70 HG23 THR 70 -0.695 -2.891 5.851 583 H LYS 71 HN LYS 71 2.583 -2.009 4.889 584 HA LYS 71 HA LYS 71 4.206 -3.682 6.653 585 1HB LYS 71 HB2 LYS 71 3.280 -4.787 4.691 586 2HB LYS 71 HB1 LYS 71 3.994 -3.576 3.641 587 1HG LYS 71 HG2 LYS 71 5.270 -5.627 3.567 588 2HG LYS 71 HG1 LYS 71 6.229 -4.333 4.292 589 1HD LYS 71 HD2 LYS 71 5.622 -5.204 6.533 590 2HD LYS 71 HD1 LYS 71 4.781 -6.544 5.749 591 1HE LYS 71 HE2 LYS 71 6.866 -7.267 4.717 592 2HE LYS 71 HE1 LYS 71 7.714 -5.904 5.449 593 1HZ LYS 71 HZ1 LYS 71 7.135 -6.811 7.639 594 2HZ LYS 71 HZ2 LYS 71 8.083 -7.886 6.734 595 3HZ LYS 71 HZ3 LYS 71 6.415 -8.153 6.893 596 H ASN 72 HN ASN 72 6.421 -3.428 6.827 597 HA ASN 72 HA ASN 72 7.415 -0.789 6.096 598 1HB ASN 72 HB2 ASN 72 8.824 -2.930 7.709 599 2HB ASN 72 HB1 ASN 72 9.244 -1.225 7.614 600 1HD2 ASN 72 HD21 ASN 72 6.344 -0.521 7.716 601 2HD2 ASN 72 HD22 ASN 72 5.898 -0.690 9.379 602 H LEU 73 HN LEU 73 8.595 -0.487 4.297 603 HA LEU 73 HA LEU 73 9.663 -2.883 2.973 604 1HB LEU 73 HB2 LEU 73 9.213 -0.090 1.927 605 2HB LEU 73 HB1 LEU 73 9.961 -1.372 1.001 606 HG LEU 73 HG LEU 73 7.765 -1.303 0.231 607 1HD1 LEU 73 HD11 LEU 73 8.474 -3.569 0.709 608 2HD1 LEU 73 HD12 LEU 73 6.737 -3.394 0.964 609 3HD1 LEU 73 HD13 LEU 73 7.832 -3.445 2.346 610 1HD2 LEU 73 HD21 LEU 73 6.821 0.157 1.911 611 2HD2 LEU 73 HD22 LEU 73 6.837 -1.153 3.092 612 3HD2 LEU 73 HD23 LEU 73 5.789 -1.253 1.676 613 HA PRO 74 HA PRO 74 13.698 -1.340 4.207 614 1HB PRO 74 HB2 PRO 74 14.815 -3.899 3.920 615 2HB PRO 74 HB1 PRO 74 14.218 -3.184 5.416 616 1HG PRO 74 HG2 PRO 74 13.124 -5.393 4.043 617 2HG PRO 74 HG1 PRO 74 12.399 -4.526 5.406 618 1HD PRO 74 HD2 PRO 74 11.833 -4.301 2.497 619 2HD PRO 74 HD1 PRO 74 10.758 -4.033 3.884 620 H LYS 75 HN LYS 75 14.145 -0.152 2.355 621 HA LYS 75 HA LYS 75 14.621 -1.320 -0.187 622 1HB LYS 75 HB2 LYS 75 13.920 1.010 0.033 623 2HB LYS 75 HB1 LYS 75 15.410 1.387 0.888 624 1HG LYS 75 HG2 LYS 75 16.647 0.657 -1.172 625 2HG LYS 75 HG1 LYS 75 15.086 0.602 -1.989 626 1HD LYS 75 HD2 LYS 75 14.742 2.940 -1.641 627 2HD LYS 75 HD1 LYS 75 16.155 3.042 -0.585 628 1HE LYS 75 HE2 LYS 75 16.129 2.455 -3.540 629 2HE LYS 75 HE1 LYS 75 16.724 3.917 -2.752 630 1HZ LYS 75 HZ1 LYS 75 17.899 1.193 -2.636 631 2HZ LYS 75 HZ2 LYS 75 18.357 2.427 -1.572 632 3HZ LYS 75 HZ3 LYS 75 18.610 2.610 -3.244 633 H ASP 76 HN ASP 76 16.796 0.230 2.097 634 HA ASP 76 HA ASP 76 19.028 -1.303 0.948 635 1HB ASP 76 HB2 ASP 76 19.003 1.293 2.503 636 2HB ASP 76 HB1 ASP 76 20.475 0.401 2.139 637 H SER 77 HN SER 77 19.532 -3.042 2.063 638 HA SER 77 HA SER 77 18.731 -3.265 4.843 639 1HB SER 77 HB2 SER 77 20.082 -5.271 3.020 640 2HB SER 77 HB1 SER 77 19.468 -5.609 4.639 641 HG SER 77 HG SER 77 17.756 -4.488 2.712 642 H LEU 78 HN LEU 78 20.171 -1.626 5.636 643 HA LEU 78 HA LEU 78 22.993 -2.415 5.727 644 1HB LEU 78 HB2 LEU 78 21.675 0.183 6.524 645 2HB LEU 78 HB1 LEU 78 23.396 -0.142 6.604 646 HG LEU 78 HG LEU 78 21.744 -0.055 4.078 647 1HD1 LEU 78 HD11 LEU 78 22.985 2.000 3.609 648 2HD1 LEU 78 HD12 LEU 78 23.767 1.889 5.187 649 3HD1 LEU 78 HD13 LEU 78 22.025 2.145 5.081 650 1HD2 LEU 78 HD21 LEU 78 24.717 -0.386 4.479 651 2HD2 LEU 78 HD22 LEU 78 23.902 -0.186 2.928 652 3HD2 LEU 78 HD23 LEU 78 23.601 -1.624 3.903 653 H GLU 79 HN GLU 79 22.789 -4.079 7.225 654 HA GLU 79 HA GLU 79 21.983 -3.284 9.935 655 1HB GLU 79 HB2 GLU 79 20.940 -5.333 9.021 656 2HB GLU 79 HB1 GLU 79 22.533 -6.042 8.812 657 1HG GLU 79 HG2 GLU 79 22.123 -5.131 11.523 658 2HG GLU 79 HG1 GLU 79 20.880 -6.275 11.022 659 H HIS 80 HN HIS 80 23.537 -2.694 11.278 660 HA HIS 80 HA HIS 80 26.291 -3.540 10.653 661 1HB HIS 80 HB2 HIS 80 25.655 -1.076 10.463 662 2HB HIS 80 HB1 HIS 80 25.507 -1.079 12.216 663 HD1 HIS 80 HD1 HIS 80 27.491 0.167 13.028 664 HD2 HIS 80 HD2 HIS 80 28.470 -2.559 10.039 665 HE1 HIS 80 HE1 HIS 80 30.001 0.247 12.824 666 HE2 HIS 80 HE2 HIS 80 30.551 -1.286 10.900 667 H HIS 81 HN HIS 81 24.779 -5.289 12.110 668 HA HIS 81 HA HIS 81 25.740 -4.956 14.866 669 1HB HIS 81 HB2 HIS 81 23.398 -5.618 14.678 670 2HB HIS 81 HB1 HIS 81 23.838 -6.982 13.657 671 HD1 HIS 81 HD1 HIS 81 24.010 -9.137 14.841 672 HD2 HIS 81 HD2 HIS 81 24.657 -5.908 17.385 673 HE1 HIS 81 HE1 HIS 81 24.295 -10.127 17.144 674 HE2 HIS 81 HE2 HIS 81 24.821 -8.164 18.643 675 H HIS 82 HN HIS 82 25.858 -7.125 12.079 676 HA HIS 82 HA HIS 82 28.221 -8.428 13.248 677 1HB HIS 82 HB2 HIS 82 27.994 -10.123 11.500 678 2HB HIS 82 HB1 HIS 82 26.482 -9.952 12.379 679 HD1 HIS 82 HD1 HIS 82 28.017 -8.716 9.112 680 HD2 HIS 82 HD2 HIS 82 24.331 -9.663 10.772 681 HE1 HIS 82 HE1 HIS 82 26.366 -8.529 7.233 682 HE2 HIS 82 HE2 HIS 82 24.123 -8.893 8.311 683 H HIS 83 HN HIS 83 30.209 -8.466 12.123 684 HA HIS 83 HA HIS 83 30.639 -6.269 10.316 685 1HB HIS 83 HB2 HIS 83 32.344 -7.029 12.000 686 2HB HIS 83 HB1 HIS 83 32.572 -8.485 11.041 687 HD1 HIS 83 HD1 HIS 83 33.597 -4.953 11.289 688 HD2 HIS 83 HD2 HIS 83 33.844 -8.022 8.494 689 HE1 HIS 83 HE1 HIS 83 35.314 -4.208 9.615 690 HE2 HIS 83 HE2 HIS 83 35.599 -6.168 8.058 691 H HIS 84 HN HIS 84 32.065 -9.414 9.684 692 HA HIS 84 HA HIS 84 30.464 -10.335 7.609 693 1HB HIS 84 HB2 HIS 84 30.977 -8.219 6.468 694 2HB HIS 84 HB1 HIS 84 32.699 -8.516 6.661 695 HD1 HIS 84 HD1 HIS 84 33.755 -9.338 4.607 696 HD2 HIS 84 HD2 HIS 84 29.776 -10.518 4.861 697 HE1 HIS 84 HE1 HIS 84 33.296 -10.630 2.498 698 HE2 HIS 84 HE2 HIS 84 30.915 -11.433 2.726 699 H HIS 85 HN HIS 85 31.261 -12.302 6.879 700 HA HIS 85 HA HIS 85 33.762 -13.206 8.039 701 1HB HIS 85 HB2 HIS 85 31.676 -14.627 6.376 702 2HB HIS 85 HB1 HIS 85 33.163 -15.393 6.922 703 HD1 HIS 85 HD1 HIS 85 30.141 -16.143 7.723 704 HD2 HIS 85 HD2 HIS 85 32.937 -14.125 10.055 705 HE1 HIS 85 HE1 HIS 85 29.423 -16.496 10.108 706 HE2 HIS 85 HE2 HIS 85 31.195 -15.381 11.509 Start of MODEL 2 1 1H MET 1 HT1 MET 1 -24.856 -0.959 4.146 2 2H MET 1 HT2 MET 1 -26.139 -1.813 3.440 3 3H MET 1 HT3 MET 1 -24.567 -2.455 3.399 4 HA MET 1 HA MET 1 -26.227 -2.023 5.811 5 1HB MET 1 HB2 MET 1 -25.480 -4.475 4.238 6 2HB MET 1 HB1 MET 1 -25.931 -4.583 5.934 7 1HG MET 1 HG2 MET 1 -28.087 -3.536 5.401 8 2HG MET 1 HG1 MET 1 -27.630 -3.503 3.698 9 1HE MET 1 HE1 MET 1 -30.019 -4.748 3.338 10 2HE MET 1 HE2 MET 1 -30.284 -4.911 5.074 11 3HE MET 1 HE3 MET 1 -30.401 -6.326 4.028 12 H HIS 2 HN HIS 2 -23.203 -3.507 4.582 13 HA HIS 2 HA HIS 2 -21.994 -2.776 7.158 14 1HB HIS 2 HB2 HIS 2 -22.650 -5.265 6.974 15 2HB HIS 2 HB1 HIS 2 -21.327 -5.387 5.819 16 HD1 HIS 2 HD1 HIS 2 -18.922 -5.367 6.754 17 HD2 HIS 2 HD2 HIS 2 -21.868 -4.784 9.641 18 HE1 HIS 2 HE1 HIS 2 -17.748 -5.519 8.971 19 HE2 HIS 2 HE2 HIS 2 -19.512 -4.998 10.691 20 H LYS 3 HN LYS 3 -20.207 -1.657 6.907 21 HA LYS 3 HA LYS 3 -18.779 -1.829 4.351 22 1HB LYS 3 HB2 LYS 3 -18.734 0.295 6.500 23 2HB LYS 3 HB1 LYS 3 -17.717 0.310 5.066 24 1HG LYS 3 HG2 LYS 3 -19.719 0.406 3.657 25 2HG LYS 3 HG1 LYS 3 -20.722 0.421 5.108 26 1HD LYS 3 HD2 LYS 3 -19.742 2.520 5.808 27 2HD LYS 3 HD1 LYS 3 -18.637 2.494 4.431 28 1HE LYS 3 HE2 LYS 3 -20.560 2.581 2.911 29 2HE LYS 3 HE1 LYS 3 -21.641 2.654 4.302 30 1HZ LYS 3 HZ1 LYS 3 -19.539 4.662 3.690 31 2HZ LYS 3 HZ2 LYS 3 -20.674 4.737 4.950 32 3HZ LYS 3 HZ3 LYS 3 -21.191 4.845 3.337 33 H ASP 4 HN ASP 4 -16.523 -2.124 4.347 34 HA ASP 4 HA ASP 4 -15.377 -3.019 6.892 35 1HB ASP 4 HB2 ASP 4 -15.707 -4.621 4.396 36 2HB ASP 4 HB1 ASP 4 -14.273 -4.881 5.383 37 H ILE 5 HN ILE 5 -13.181 -2.869 7.081 38 HA ILE 5 HA ILE 5 -11.855 -0.828 5.693 39 HB ILE 5 HB ILE 5 -10.706 -3.080 7.354 40 1HG1 ILE 5 HG12 ILE 5 -12.275 -1.674 8.599 41 2HG1 ILE 5 HG11 ILE 5 -10.628 -1.411 9.161 42 1HG2 ILE 5 HG21 ILE 5 -9.431 -0.509 6.435 43 2HG2 ILE 5 HG22 ILE 5 -8.989 -2.142 5.939 44 3HG2 ILE 5 HG23 ILE 5 -8.731 -1.628 7.606 45 1HD1 ILE 5 HD11 ILE 5 -11.846 0.677 9.017 46 2HD1 ILE 5 HD12 ILE 5 -12.179 0.386 7.310 47 3HD1 ILE 5 HD13 ILE 5 -10.522 0.654 7.852 48 H PHE 6 HN PHE 6 -11.372 -0.932 3.597 49 HA PHE 6 HA PHE 6 -10.957 -3.338 2.166 50 1HB PHE 6 HB2 PHE 6 -11.735 -1.206 1.135 51 2HB PHE 6 HB1 PHE 6 -10.129 -0.533 1.385 52 HD1 PHE 6 HD1 PHE 6 -11.992 -3.191 -0.388 53 HD2 PHE 6 HD2 PHE 6 -8.408 -0.908 -0.158 54 HE1 PHE 6 HE1 PHE 6 -11.285 -4.086 -2.567 55 HE2 PHE 6 HE2 PHE 6 -7.695 -1.802 -2.336 56 HZ PHE 6 HZ PHE 6 -9.133 -3.392 -3.545 57 H THR 7 HN THR 7 -9.303 -4.628 2.492 58 HA THR 7 HA THR 7 -6.622 -3.457 2.837 59 HB THR 7 HB THR 7 -7.529 -6.077 4.041 60 HG1 THR 7 HG1 THR 7 -8.657 -4.213 4.931 61 1HG2 THR 7 HG21 THR 7 -5.524 -5.816 5.429 62 2HG2 THR 7 HG22 THR 7 -5.146 -4.306 4.600 63 3HG2 THR 7 HG23 THR 7 -5.112 -5.829 3.712 64 H SER 8 HN SER 8 -5.156 -4.116 1.370 65 HA SER 8 HA SER 8 -5.383 -6.688 0.072 66 1HB SER 8 HB2 SER 8 -5.680 -4.139 -1.546 67 2HB SER 8 HB1 SER 8 -5.481 -5.757 -2.221 68 HG SER 8 HG SER 8 -7.496 -5.653 -0.392 69 H VAL 9 HN VAL 9 -3.589 -6.811 -1.695 70 HA VAL 9 HA VAL 9 -1.200 -5.436 -0.643 71 HB VAL 9 HB VAL 9 -1.309 -8.179 -1.915 72 1HG1 VAL 9 HG11 VAL 9 1.011 -8.373 -1.199 73 2HG1 VAL 9 HG12 VAL 9 0.955 -6.738 -0.542 74 3HG1 VAL 9 HG13 VAL 9 0.801 -6.995 -2.280 75 1HG2 VAL 9 HG21 VAL 9 -0.950 -7.429 0.987 76 2HG2 VAL 9 HG22 VAL 9 -0.821 -9.058 0.320 77 3HG2 VAL 9 HG23 VAL 9 -2.367 -8.210 0.284 78 H VAL 10 HN VAL 10 -0.170 -4.176 -2.053 79 HA VAL 10 HA VAL 10 -0.922 -4.414 -4.885 80 HB VAL 10 HB VAL 10 -0.176 -2.082 -5.148 81 1HG1 VAL 10 HG11 VAL 10 -2.016 -1.022 -3.926 82 2HG1 VAL 10 HG12 VAL 10 -2.203 -2.480 -2.952 83 3HG1 VAL 10 HG13 VAL 10 -2.518 -2.532 -4.687 84 1HG2 VAL 10 HG21 VAL 10 0.311 -0.708 -3.185 85 2HG2 VAL 10 HG22 VAL 10 1.491 -2.004 -3.376 86 3HG2 VAL 10 HG23 VAL 10 0.222 -2.140 -2.159 87 H ARG 11 HN ARG 11 0.745 -3.980 -6.483 88 HA ARG 11 HA ARG 11 3.191 -5.363 -5.723 89 1HB ARG 11 HB2 ARG 11 2.356 -4.514 -8.498 90 2HB ARG 11 HB1 ARG 11 3.518 -5.759 -8.055 91 1HG ARG 11 HG2 ARG 11 1.662 -7.053 -7.034 92 2HG ARG 11 HG1 ARG 11 0.537 -5.842 -7.650 93 1HD ARG 11 HD2 ARG 11 0.474 -7.553 -9.233 94 2HD ARG 11 HD1 ARG 11 1.540 -6.345 -9.943 95 HE ARG 11 HE ARG 11 3.423 -7.747 -9.243 96 1HH1 ARG 11 HH11 ARG 11 0.239 -9.189 -9.362 97 2HH1 ARG 11 HH12 ARG 11 0.830 -10.814 -9.534 98 1HH2 ARG 11 HH21 ARG 11 4.219 -9.882 -9.510 99 2HH2 ARG 11 HH22 ARG 11 3.095 -11.200 -9.630 100 H VAL 12 HN VAL 12 4.959 -4.298 -5.258 101 HA VAL 12 HA VAL 12 5.089 -1.427 -5.913 102 HB VAL 12 HB VAL 12 6.591 -2.816 -3.700 103 1HG1 VAL 12 HG11 VAL 12 6.682 -0.563 -2.738 104 2HG1 VAL 12 HG12 VAL 12 5.846 0.069 -4.157 105 3HG1 VAL 12 HG13 VAL 12 7.452 -0.646 -4.322 106 1HG2 VAL 12 HG21 VAL 12 4.838 -2.000 -2.167 107 2HG2 VAL 12 HG22 VAL 12 4.261 -3.234 -3.287 108 3HG2 VAL 12 HG23 VAL 12 3.871 -1.536 -3.565 109 H ARG 13 HN ARG 13 6.905 -0.583 -6.818 110 HA ARG 13 HA ARG 13 8.901 -2.497 -7.781 111 1HB ARG 13 HB2 ARG 13 8.334 0.369 -8.590 112 2HB ARG 13 HB1 ARG 13 9.571 -0.656 -9.312 113 1HG ARG 13 HG2 ARG 13 7.827 -2.204 -10.075 114 2HG ARG 13 HG1 ARG 13 6.599 -1.146 -9.375 115 1HD ARG 13 HD2 ARG 13 7.255 0.649 -10.869 116 2HD ARG 13 HD1 ARG 13 8.558 -0.341 -11.524 117 HE ARG 13 HE ARG 13 5.679 -0.861 -11.916 118 1HH1 ARG 13 HH11 ARG 13 9.012 -1.187 -12.894 119 2HH1 ARG 13 HH12 ARG 13 8.642 -1.939 -14.410 120 1HH2 ARG 13 HH21 ARG 13 5.164 -1.808 -13.947 121 2HH2 ARG 13 HH22 ARG 13 6.454 -2.282 -15.020 122 H GLY 14 HN GLY 14 11.186 -1.944 -7.630 123 1HA GLY 14 HA2 GLY 14 12.763 -0.161 -6.847 124 2HA GLY 14 HA1 GLY 14 11.776 -0.105 -5.393 125 H SER 15 HN SER 15 14.571 -0.608 -5.431 126 HA SER 15 HA SER 15 14.990 -3.447 -5.129 127 1HB SER 15 HB2 SER 15 17.300 -2.585 -4.333 128 2HB SER 15 HB1 SER 15 16.851 -2.328 -6.018 129 HG SER 15 HG SER 15 16.968 -0.473 -3.891 130 H LYS 16 HN LYS 16 13.016 -2.735 -3.445 131 HA LYS 16 HA LYS 16 14.185 -2.379 -0.789 132 1HB LYS 16 HB2 LYS 16 11.610 -2.232 -0.226 133 2HB LYS 16 HB1 LYS 16 12.475 -0.860 -0.898 134 1HG LYS 16 HG2 LYS 16 10.395 -1.034 -2.032 135 2HG LYS 16 HG1 LYS 16 11.656 -1.538 -3.155 136 1HD LYS 16 HD2 LYS 16 11.135 -3.864 -2.743 137 2HD LYS 16 HD1 LYS 16 9.925 -3.408 -1.542 138 1HE LYS 16 HE2 LYS 16 8.503 -3.613 -3.265 139 2HE LYS 16 HE1 LYS 16 9.079 -2.001 -3.692 140 1HZ LYS 16 HZ1 LYS 16 10.157 -4.564 -4.743 141 2HZ LYS 16 HZ2 LYS 16 10.720 -3.022 -5.158 142 3HZ LYS 16 HZ3 LYS 16 9.150 -3.498 -5.589 143 H LYS 17 HN LYS 17 14.495 -4.836 -2.196 144 HA LYS 17 HA LYS 17 14.572 -7.050 -1.760 145 1HB LYS 17 HB2 LYS 17 14.954 -6.531 0.557 146 2HB LYS 17 HB1 LYS 17 13.241 -6.252 0.828 147 1HG LYS 17 HG2 LYS 17 14.017 -8.399 1.732 148 2HG LYS 17 HG1 LYS 17 12.761 -8.592 0.510 149 1HD LYS 17 HD2 LYS 17 14.467 -9.138 -1.161 150 2HD LYS 17 HD1 LYS 17 15.728 -8.937 0.058 151 1HE LYS 17 HE2 LYS 17 14.892 -10.795 1.318 152 2HE LYS 17 HE1 LYS 17 13.467 -10.914 0.289 153 1HZ LYS 17 HZ1 LYS 17 14.923 -11.505 -1.567 154 2HZ LYS 17 HZ2 LYS 17 15.064 -12.603 -0.283 155 3HZ LYS 17 HZ3 LYS 17 16.278 -11.444 -0.541 156 H TYR 18 HN TYR 18 11.390 -5.918 -0.615 157 HA TYR 18 HA TYR 18 10.110 -8.272 -1.688 158 1HB TYR 18 HB2 TYR 18 8.979 -5.786 -0.393 159 2HB TYR 18 HB1 TYR 18 8.019 -7.182 -0.867 160 HD1 TYR 18 HD1 TYR 18 8.248 -9.309 0.336 161 HD2 TYR 18 HD2 TYR 18 10.340 -5.824 1.586 162 HE1 TYR 18 HE1 TYR 18 8.670 -10.354 2.521 163 HE2 TYR 18 HE2 TYR 18 10.773 -6.860 3.773 164 HH TYR 18 HH TYR 18 10.287 -10.165 4.368 165 H ASN 19 HN ASN 19 7.900 -7.699 -2.868 166 HA ASN 19 HA ASN 19 8.222 -5.475 -4.737 167 1HB ASN 19 HB2 ASN 19 8.118 -8.364 -5.476 168 2HB ASN 19 HB1 ASN 19 7.273 -7.215 -6.510 169 1HD2 ASN 19 HD21 ASN 19 9.686 -8.885 -6.941 170 2HD2 ASN 19 HD22 ASN 19 10.910 -7.774 -7.458 171 H VAL 20 HN VAL 20 6.478 -6.683 -2.432 172 HA VAL 20 HA VAL 20 4.024 -5.507 -3.464 173 HB VAL 20 HB VAL 20 2.634 -7.311 -2.421 174 1HG1 VAL 20 HG11 VAL 20 2.847 -8.913 -4.261 175 2HG1 VAL 20 HG12 VAL 20 4.389 -8.184 -4.710 176 3HG1 VAL 20 HG13 VAL 20 2.901 -7.244 -4.826 177 1HG2 VAL 20 HG21 VAL 20 4.306 -8.288 -0.956 178 2HG2 VAL 20 HG22 VAL 20 5.237 -8.831 -2.353 179 3HG2 VAL 20 HG23 VAL 20 3.640 -9.511 -2.038 180 H VAL 21 HN VAL 21 2.751 -4.543 -1.841 181 HA VAL 21 HA VAL 21 3.638 -4.926 0.933 182 HB VAL 21 HB VAL 21 4.697 -2.837 -0.003 183 1HG1 VAL 21 HG11 VAL 21 1.856 -1.828 -0.018 184 2HG1 VAL 21 HG12 VAL 21 2.895 -2.062 -1.424 185 3HG1 VAL 21 HG13 VAL 21 3.299 -0.834 -0.225 186 1HG2 VAL 21 HG21 VAL 21 4.187 -1.458 1.958 187 2HG2 VAL 21 HG22 VAL 21 4.421 -3.152 2.388 188 3HG2 VAL 21 HG23 VAL 21 2.793 -2.480 2.306 189 HA PRO 22 HA PRO 22 -0.774 -5.192 1.557 190 1HB PRO 22 HB2 PRO 22 -0.137 -4.951 4.408 191 2HB PRO 22 HB1 PRO 22 -0.875 -6.299 3.538 192 1HG PRO 22 HG2 PRO 22 1.629 -6.433 4.523 193 2HG PRO 22 HG1 PRO 22 1.155 -7.250 3.023 194 1HD PRO 22 HD2 PRO 22 2.646 -4.676 3.386 195 2HD PRO 22 HD1 PRO 22 2.937 -5.995 2.231 196 H VAL 23 HN VAL 23 -1.933 -3.441 1.151 197 HA VAL 23 HA VAL 23 -1.504 -1.004 2.734 198 HB VAL 23 HB VAL 23 -2.760 0.183 0.985 199 1HG1 VAL 23 HG11 VAL 23 -0.350 0.057 0.786 200 2HG1 VAL 23 HG12 VAL 23 -1.098 0.005 -0.810 201 3HG1 VAL 23 HG13 VAL 23 -0.483 -1.476 -0.078 202 1HG2 VAL 23 HG21 VAL 23 -2.820 -2.481 -0.423 203 2HG2 VAL 23 HG22 VAL 23 -3.314 -0.939 -1.123 204 3HG2 VAL 23 HG23 VAL 23 -4.208 -1.617 0.238 205 H LYS 24 HN LYS 24 -3.325 0.071 3.605 206 HA LYS 24 HA LYS 24 -5.785 -1.507 3.801 207 1HB LYS 24 HB2 LYS 24 -5.849 -0.962 6.258 208 2HB LYS 24 HB1 LYS 24 -4.608 -2.116 5.789 209 1HG LYS 24 HG2 LYS 24 -2.936 -0.335 5.841 210 2HG LYS 24 HG1 LYS 24 -4.181 0.815 6.327 211 1HD LYS 24 HD2 LYS 24 -3.582 -1.664 7.923 212 2HD LYS 24 HD1 LYS 24 -2.690 -0.161 8.160 213 1HE LYS 24 HE2 LYS 24 -4.354 -0.022 9.763 214 2HE LYS 24 HE1 LYS 24 -5.027 0.912 8.430 215 1HZ LYS 24 HZ1 LYS 24 -6.255 -1.136 7.777 216 2HZ LYS 24 HZ2 LYS 24 -6.720 -0.503 9.278 217 3HZ LYS 24 HZ3 LYS 24 -5.719 -1.870 9.205 218 H SER 25 HN SER 25 -7.586 -0.232 4.694 219 HA SER 25 HA SER 25 -7.372 2.590 3.896 220 1HB SER 25 HB2 SER 25 -9.848 0.860 4.112 221 2HB SER 25 HB1 SER 25 -9.763 2.492 3.452 222 HG SER 25 HG SER 25 -8.342 0.270 2.401 223 H ASN 26 HN ASN 26 -7.711 4.136 5.399 224 HA ASN 26 HA ASN 26 -8.047 3.339 8.141 225 1HB ASN 26 HB2 ASN 26 -7.815 5.682 8.695 226 2HB ASN 26 HB1 ASN 26 -6.621 5.264 7.473 227 1HD2 ASN 26 HD21 ASN 26 -7.754 7.844 8.204 228 2HD2 ASN 26 HD22 ASN 26 -8.416 8.492 6.737 229 H LYS 27 HN LYS 27 -10.200 4.001 5.649 230 HA LYS 27 HA LYS 27 -12.388 4.490 7.561 231 1HB LYS 27 HB2 LYS 27 -12.367 5.120 4.602 232 2HB LYS 27 HB1 LYS 27 -13.632 5.528 5.748 233 1HG LYS 27 HG2 LYS 27 -10.829 6.627 5.797 234 2HG LYS 27 HG1 LYS 27 -12.238 7.455 5.134 235 1HD LYS 27 HD2 LYS 27 -13.290 7.447 7.329 236 2HD LYS 27 HD1 LYS 27 -11.915 6.567 8.000 237 1HE LYS 27 HE2 LYS 27 -10.448 8.454 7.424 238 2HE LYS 27 HE1 LYS 27 -11.841 9.333 6.793 239 1HZ LYS 27 HZ1 LYS 27 -11.557 8.402 9.599 240 2HZ LYS 27 HZ2 LYS 27 -12.821 9.347 8.967 241 3HZ LYS 27 HZ3 LYS 27 -11.254 9.988 9.068 242 HA PRO 28 HA PRO 28 -13.995 0.522 6.253 243 1HB PRO 28 HB2 PRO 28 -16.646 1.575 6.991 244 2HB PRO 28 HB1 PRO 28 -15.754 0.212 7.675 245 1HG PRO 28 HG2 PRO 28 -16.099 2.505 9.034 246 2HG PRO 28 HG1 PRO 28 -14.618 1.542 9.182 247 1HD PRO 28 HD2 PRO 28 -15.107 4.035 7.590 248 2HD PRO 28 HD1 PRO 28 -13.694 3.581 8.569 249 H VAL 29 HN VAL 29 -14.352 0.014 4.210 250 HA VAL 29 HA VAL 29 -15.564 2.031 2.457 251 HB VAL 29 HB VAL 29 -14.015 -0.411 1.603 252 1HG1 VAL 29 HG11 VAL 29 -14.560 2.213 0.222 253 2HG1 VAL 29 HG12 VAL 29 -15.318 0.664 -0.147 254 3HG1 VAL 29 HG13 VAL 29 -13.592 0.890 -0.427 255 1HG2 VAL 29 HG21 VAL 29 -12.035 1.064 1.439 256 2HG2 VAL 29 HG22 VAL 29 -12.576 0.798 3.098 257 3HG2 VAL 29 HG23 VAL 29 -12.943 2.320 2.282 258 H GLU 30 HN GLU 30 -17.211 1.518 1.034 259 HA GLU 30 HA GLU 30 -19.007 -0.570 1.641 260 1HB GLU 30 HB2 GLU 30 -18.724 0.933 -0.972 261 2HB GLU 30 HB1 GLU 30 -20.147 0.060 -0.415 262 1HG GLU 30 HG2 GLU 30 -20.509 1.644 1.339 263 2HG GLU 30 HG1 GLU 30 -18.982 2.453 0.990 264 H ILE 31 HN ILE 31 -18.797 -2.679 1.215 265 HA ILE 31 HA ILE 31 -16.499 -3.717 -0.003 266 HB ILE 31 HB ILE 31 -17.611 -5.922 0.131 267 1HG1 ILE 31 HG12 ILE 31 -19.965 -4.337 1.192 268 2HG1 ILE 31 HG11 ILE 31 -19.908 -5.135 -0.376 269 1HG2 ILE 31 HG21 ILE 31 -17.777 -5.961 2.573 270 2HG2 ILE 31 HG22 ILE 31 -17.868 -4.201 2.597 271 3HG2 ILE 31 HG23 ILE 31 -16.398 -5.001 2.038 272 1HD1 ILE 31 HD11 ILE 31 -21.152 -6.431 1.279 273 2HD1 ILE 31 HD12 ILE 31 -19.706 -6.518 2.289 274 3HD1 ILE 31 HD13 ILE 31 -19.725 -7.293 0.704 275 H SER 32 HN SER 32 -19.509 -2.762 -1.376 276 HA SER 32 HA SER 32 -19.433 -4.363 -3.717 277 1HB SER 32 HB2 SER 32 -20.746 -1.657 -3.436 278 2HB SER 32 HB1 SER 32 -21.218 -2.983 -4.500 279 HG SER 32 HG SER 32 -22.289 -2.538 -2.264 280 H LYS 33 HN LYS 33 -17.604 -1.683 -2.707 281 HA LYS 33 HA LYS 33 -17.063 -0.775 -5.441 282 1HB LYS 33 HB2 LYS 33 -17.387 0.586 -3.033 283 2HB LYS 33 HB1 LYS 33 -15.655 0.632 -3.319 284 1HG LYS 33 HG2 LYS 33 -16.145 1.524 -5.605 285 2HG LYS 33 HG1 LYS 33 -17.835 1.658 -5.114 286 1HD LYS 33 HD2 LYS 33 -17.035 3.049 -3.166 287 2HD LYS 33 HD1 LYS 33 -15.453 3.080 -3.940 288 1HE LYS 33 HE2 LYS 33 -18.041 4.145 -5.058 289 2HE LYS 33 HE1 LYS 33 -16.672 5.094 -4.485 290 1HZ LYS 33 HZ1 LYS 33 -16.757 3.342 -6.875 291 2HZ LYS 33 HZ2 LYS 33 -15.337 4.046 -6.287 292 3HZ LYS 33 HZ3 LYS 33 -16.609 5.027 -6.846 293 H TRP 34 HN TRP 34 -15.954 -3.243 -3.819 294 HA TRP 34 HA TRP 34 -13.213 -2.762 -3.393 295 1HB TRP 34 HB2 TRP 34 -12.956 -5.084 -3.052 296 2HB TRP 34 HB1 TRP 34 -14.587 -4.719 -2.506 297 HD1 TRP 34 HD1 TRP 34 -16.622 -5.584 -4.128 298 HE1 TRP 34 HE1 TRP 34 -16.714 -7.586 -5.756 299 HE3 TRP 34 HE3 TRP 34 -11.608 -6.430 -4.641 300 HZ2 TRP 34 HZ2 TRP 34 -14.885 -9.292 -7.078 301 HZ3 TRP 34 HZ3 TRP 34 -10.859 -8.262 -6.104 302 HH2 TRP 34 HH2 TRP 34 -12.462 -9.661 -7.296 303 H ILE 35 HN ILE 35 -14.997 -3.797 -6.237 304 HA ILE 35 HA ILE 35 -12.762 -4.441 -7.849 305 HB ILE 35 HB ILE 35 -14.339 -3.994 -9.781 306 1HG1 ILE 35 HG12 ILE 35 -16.335 -3.588 -7.539 307 2HG1 ILE 35 HG11 ILE 35 -15.758 -2.327 -8.622 308 1HG2 ILE 35 HG21 ILE 35 -14.026 -6.212 -8.863 309 2HG2 ILE 35 HG22 ILE 35 -15.714 -5.971 -9.318 310 3HG2 ILE 35 HG23 ILE 35 -15.238 -5.892 -7.622 311 1HD1 ILE 35 HD11 ILE 35 -17.954 -3.108 -9.281 312 2HD1 ILE 35 HD12 ILE 35 -17.343 -4.757 -9.420 313 3HD1 ILE 35 HD13 ILE 35 -16.758 -3.504 -10.515 314 H ASP 36 HN ASP 36 -14.531 -1.470 -7.242 315 HA ASP 36 HA ASP 36 -13.416 0.116 -9.268 316 1HB ASP 36 HB2 ASP 36 -15.439 0.734 -8.008 317 2HB ASP 36 HB1 ASP 36 -14.473 0.939 -6.553 318 H PHE 37 HN PHE 37 -12.515 -0.288 -5.867 319 HA PHE 37 HA PHE 37 -10.289 1.452 -5.949 320 1HB PHE 37 HB2 PHE 37 -11.213 -0.689 -4.072 321 2HB PHE 37 HB1 PHE 37 -9.609 0.007 -3.874 322 HD1 PHE 37 HD2 PHE 37 -12.740 1.729 -4.926 323 HD2 PHE 37 HD1 PHE 37 -9.792 1.201 -1.897 324 HE1 PHE 37 HE2 PHE 37 -13.700 3.608 -3.663 325 HE2 PHE 37 HE1 PHE 37 -10.750 3.078 -0.633 326 HZ PHE 37 HZ PHE 37 -12.706 4.282 -1.514 327 H SER 38 HN SER 38 -10.598 -2.047 -6.421 328 HA SER 38 HA SER 38 -7.867 -2.647 -6.570 329 1HB SER 38 HB2 SER 38 -10.207 -3.999 -7.937 330 2HB SER 38 HB1 SER 38 -8.587 -4.684 -7.797 331 HG SER 38 HG SER 38 -10.517 -4.226 -5.796 332 H ASN 39 HN ASN 39 -10.147 -1.563 -9.053 333 HA ASN 39 HA ASN 39 -8.425 -1.796 -11.264 334 1HB ASN 39 HB2 ASN 39 -10.762 0.045 -10.743 335 2HB ASN 39 HB1 ASN 39 -9.890 0.028 -12.271 336 1HD2 ASN 39 HD21 ASN 39 -12.668 -0.632 -11.677 337 2HD2 ASN 39 HD22 ASN 39 -12.907 -2.251 -12.241 338 H VAL 40 HN VAL 40 -8.977 0.874 -9.005 339 HA VAL 40 HA VAL 40 -7.240 2.718 -10.260 340 HB VAL 40 HB VAL 40 -7.982 2.576 -7.331 341 1HG1 VAL 40 HG11 VAL 40 -7.547 4.993 -7.345 342 2HG1 VAL 40 HG12 VAL 40 -6.980 4.870 -9.010 343 3HG1 VAL 40 HG13 VAL 40 -6.101 4.053 -7.718 344 1HG2 VAL 40 HG21 VAL 40 -9.747 4.190 -7.909 345 2HG2 VAL 40 HG22 VAL 40 -9.979 2.629 -8.696 346 3HG2 VAL 40 HG23 VAL 40 -9.345 3.995 -9.614 347 H LEU 41 HN LEU 41 -6.755 0.393 -7.622 348 HA LEU 41 HA LEU 41 -4.089 1.097 -7.044 349 1HB LEU 41 HB2 LEU 41 -5.549 -1.509 -6.632 350 2HB LEU 41 HB1 LEU 41 -3.967 -1.149 -5.968 351 HG LEU 41 HG LEU 41 -6.522 0.319 -5.311 352 1HD1 LEU 41 HD11 LEU 41 -6.451 -1.940 -4.386 353 2HD1 LEU 41 HD12 LEU 41 -6.301 -0.723 -3.119 354 3HD1 LEU 41 HD13 LEU 41 -4.875 -1.604 -3.670 355 1HD2 LEU 41 HD21 LEU 41 -4.568 1.782 -5.216 356 2HD2 LEU 41 HD22 LEU 41 -3.742 0.620 -4.178 357 3HD2 LEU 41 HD23 LEU 41 -5.189 1.446 -3.601 358 H SER 42 HN SER 42 -5.461 -0.897 -9.541 359 HA SER 42 HA SER 42 -3.067 -2.335 -10.145 360 1HB SER 42 HB2 SER 42 -5.551 -1.885 -11.815 361 2HB SER 42 HB1 SER 42 -4.273 -3.043 -12.185 362 HG SER 42 HG SER 42 -5.970 -3.037 -9.899 363 H ARG 43 HN ARG 43 -3.859 0.857 -10.559 364 HA ARG 43 HA ARG 43 -2.056 1.133 -12.878 365 1HB ARG 43 HB2 ARG 43 -4.009 3.189 -11.832 366 2HB ARG 43 HB1 ARG 43 -3.124 3.234 -13.349 367 1HG ARG 43 HG2 ARG 43 -4.411 1.370 -14.198 368 2HG ARG 43 HG1 ARG 43 -5.257 1.223 -12.655 369 1HD ARG 43 HD2 ARG 43 -6.067 3.571 -12.981 370 2HD ARG 43 HD1 ARG 43 -5.371 3.519 -14.600 371 HE ARG 43 HE ARG 43 -7.024 1.309 -14.392 372 1HH1 ARG 43 HH11 ARG 43 -7.336 4.799 -14.338 373 2HH1 ARG 43 HH12 ARG 43 -9.004 4.781 -14.844 374 1HH2 ARG 43 HH21 ARG 43 -9.183 1.277 -15.068 375 2HH2 ARG 43 HH22 ARG 43 -10.066 2.769 -15.233 376 H LEU 44 HN LEU 44 -1.879 1.052 -9.715 377 HA LEU 44 HA LEU 44 -0.449 3.595 -9.350 378 1HB LEU 44 HB2 LEU 44 -2.514 3.088 -7.982 379 2HB LEU 44 HB1 LEU 44 -1.602 1.806 -7.213 380 HG LEU 44 HG LEU 44 -0.009 3.459 -6.332 381 1HD1 LEU 44 HD11 LEU 44 -0.489 5.845 -6.517 382 2HD1 LEU 44 HD12 LEU 44 -1.853 5.496 -7.578 383 3HD1 LEU 44 HD13 LEU 44 -0.211 5.129 -8.105 384 1HD2 LEU 44 HD21 LEU 44 -2.891 4.112 -5.725 385 2HD2 LEU 44 HD22 LEU 44 -1.505 4.475 -4.696 386 3HD2 LEU 44 HD23 LEU 44 -1.961 2.799 -5.007 387 H TYR 45 HN TYR 45 0.883 1.466 -10.588 388 HA TYR 45 HA TYR 45 2.516 0.038 -8.742 389 1HB TYR 45 HB2 TYR 45 2.712 0.611 -11.686 390 2HB TYR 45 HB1 TYR 45 4.045 -0.158 -10.833 391 HD1 TYR 45 HD2 TYR 45 0.377 -0.527 -11.447 392 HD2 TYR 45 HD1 TYR 45 4.070 -2.459 -10.584 393 HE1 TYR 45 HE2 TYR 45 -0.713 -2.718 -11.709 394 HE2 TYR 45 HE1 TYR 45 2.988 -4.654 -10.843 395 HH TYR 45 HH TYR 45 -0.034 -5.070 -12.264 396 H VAL 46 HN VAL 46 3.451 1.371 -7.268 397 HA VAL 46 HA VAL 46 5.123 3.563 -8.279 398 HB VAL 46 HB VAL 46 3.290 4.171 -6.695 399 1HG1 VAL 46 HG11 VAL 46 3.536 3.635 -4.320 400 2HG1 VAL 46 HG12 VAL 46 4.897 2.581 -4.704 401 3HG1 VAL 46 HG13 VAL 46 3.284 2.192 -5.301 402 1HG2 VAL 46 HG21 VAL 46 4.657 5.603 -5.246 403 2HG2 VAL 46 HG22 VAL 46 5.228 5.614 -6.914 404 3HG2 VAL 46 HG23 VAL 46 6.089 4.676 -5.695 405 H GLY 47 HN GLY 47 7.222 3.865 -7.321 406 1HA GLY 47 HA2 GLY 47 8.302 1.417 -6.075 407 2HA GLY 47 HA1 GLY 47 9.174 2.300 -7.318 408 H VAL 48 HN VAL 48 8.382 2.102 -3.980 409 HA VAL 48 HA VAL 48 10.560 3.763 -3.255 410 HB VAL 48 HB VAL 48 9.047 5.585 -3.813 411 1HG1 VAL 48 HG11 VAL 48 6.939 5.931 -2.611 412 2HG1 VAL 48 HG12 VAL 48 7.138 4.368 -1.820 413 3HG1 VAL 48 HG13 VAL 48 6.913 4.448 -3.568 414 1HG2 VAL 48 HG21 VAL 48 9.045 6.779 -1.668 415 2HG2 VAL 48 HG22 VAL 48 10.562 5.922 -1.943 416 3HG2 VAL 48 HG23 VAL 48 9.365 5.260 -0.831 417 HA PRO 49 HA PRO 49 9.887 1.073 0.281 418 1HB PRO 49 HB2 PRO 49 12.302 2.311 1.359 419 2HB PRO 49 HB1 PRO 49 12.035 0.638 0.869 420 1HG PRO 49 HG2 PRO 49 13.648 2.324 -0.508 421 2HG PRO 49 HG1 PRO 49 12.738 1.016 -1.287 422 1HD PRO 49 HD2 PRO 49 12.116 3.945 -1.156 423 2HD PRO 49 HD1 PRO 49 11.956 2.820 -2.523 424 H THR 50 HN THR 50 8.494 1.609 1.855 425 HA THR 50 HA THR 50 8.658 4.323 2.979 426 HB THR 50 HB THR 50 6.098 3.970 3.255 427 HG1 THR 50 HG1 THR 50 5.916 2.631 0.937 428 1HG2 THR 50 HG21 THR 50 5.703 4.960 1.053 429 2HG2 THR 50 HG22 THR 50 7.315 4.466 0.534 430 3HG2 THR 50 HG23 THR 50 7.131 5.667 1.812 431 H LYS 51 HN LYS 51 7.009 4.386 4.958 432 HA LYS 51 HA LYS 51 7.897 2.300 6.834 433 1HB LYS 51 HB2 LYS 51 7.389 4.016 8.588 434 2HB LYS 51 HB1 LYS 51 8.655 4.508 7.466 435 1HG LYS 51 HG2 LYS 51 7.095 5.900 6.259 436 2HG LYS 51 HG1 LYS 51 5.767 5.347 7.275 437 1HD LYS 51 HD2 LYS 51 8.182 6.826 8.304 438 2HD LYS 51 HD1 LYS 51 6.656 7.600 7.874 439 1HE LYS 51 HE2 LYS 51 5.535 6.084 9.532 440 2HE LYS 51 HE1 LYS 51 7.140 5.566 10.045 441 1HZ LYS 51 HZ1 LYS 51 6.340 7.299 11.487 442 2HZ LYS 51 HZ2 LYS 51 6.054 8.328 10.170 443 3HZ LYS 51 HZ3 LYS 51 7.643 7.898 10.579 444 H SER 52 HN SER 52 6.243 2.054 8.735 445 HA SER 52 HA SER 52 3.778 1.177 7.629 446 1HB SER 52 HB2 SER 52 3.227 0.975 10.196 447 2HB SER 52 HB1 SER 52 4.399 -0.109 9.448 448 HG SER 52 HG SER 52 4.811 2.069 11.178 449 H GLY 53 HN GLY 53 1.957 2.245 7.314 450 1HA GLY 53 HA2 GLY 53 0.226 3.744 7.841 451 2HA GLY 53 HA1 GLY 53 1.288 4.534 8.999 452 H ASN 54 HN ASN 54 2.273 3.808 5.731 453 HA ASN 54 HA ASN 54 2.618 6.671 5.254 454 1HB ASN 54 HB2 ASN 54 3.940 6.072 3.324 455 2HB ASN 54 HB1 ASN 54 4.461 5.081 4.680 456 1HD2 ASN 54 HD21 ASN 54 4.090 2.884 4.641 457 2HD2 ASN 54 HD22 ASN 54 3.609 2.055 3.199 458 H VAL 55 HN VAL 55 1.296 7.866 4.027 459 HA VAL 55 HA VAL 55 -1.027 6.534 2.886 460 HB VAL 55 HB VAL 55 -0.437 9.497 2.912 461 1HG1 VAL 55 HG11 VAL 55 -2.151 8.836 1.329 462 2HG1 VAL 55 HG12 VAL 55 -2.867 9.723 2.674 463 3HG1 VAL 55 HG13 VAL 55 -3.015 7.968 2.598 464 1HG2 VAL 55 HG21 VAL 55 -0.403 8.666 5.196 465 2HG2 VAL 55 HG22 VAL 55 -1.966 7.884 4.947 466 3HG2 VAL 55 HG23 VAL 55 -1.841 9.643 4.904 467 H VAL 56 HN VAL 56 -0.877 5.782 0.877 468 HA VAL 56 HA VAL 56 1.020 6.833 -1.013 469 HB VAL 56 HB VAL 56 -1.276 4.966 -1.622 470 1HG1 VAL 56 HG11 VAL 56 0.216 4.174 -3.408 471 2HG1 VAL 56 HG12 VAL 56 1.407 5.388 -2.939 472 3HG1 VAL 56 HG13 VAL 56 -0.162 5.888 -3.572 473 1HG2 VAL 56 HG21 VAL 56 0.264 3.112 -1.195 474 2HG2 VAL 56 HG22 VAL 56 -0.029 4.059 0.263 475 3HG2 VAL 56 HG23 VAL 56 1.482 4.253 -0.627 476 H CYS 57 HN CYS 57 -2.529 6.529 -1.106 477 HA CYS 57 HA CYS 57 -2.633 9.134 -2.454 478 1HB CYS 57 HB2 CYS 57 -2.911 7.321 -4.124 479 2HB CYS 57 HB1 CYS 57 -4.285 6.713 -3.208 480 HG CYS 57 HG CYS 57 -4.079 9.510 -5.135 481 H LYS 58 HN LYS 58 -3.544 10.399 -0.973 482 HA LYS 58 HA LYS 58 -5.684 9.422 0.722 483 1HB LYS 58 HB2 LYS 58 -3.937 11.043 1.524 484 2HB LYS 58 HB1 LYS 58 -4.637 12.246 0.451 485 1HG LYS 58 HG2 LYS 58 -6.714 12.199 1.664 486 2HG LYS 58 HG1 LYS 58 -6.138 10.862 2.662 487 1HD LYS 58 HD2 LYS 58 -4.302 12.366 3.458 488 2HD LYS 58 HD1 LYS 58 -5.100 13.688 2.602 489 1HE LYS 58 HE2 LYS 58 -7.064 13.456 3.961 490 2HE LYS 58 HE1 LYS 58 -6.417 12.004 4.726 491 1HZ LYS 58 HZ1 LYS 58 -5.338 14.761 4.966 492 2HZ LYS 58 HZ2 LYS 58 -4.601 13.377 5.614 493 3HZ LYS 58 HZ3 LYS 58 -6.123 13.872 6.180 494 H ASN 59 HN ASN 59 -7.825 9.941 0.531 495 HA ASN 59 HA ASN 59 -9.778 10.348 -0.558 496 1HB ASN 59 HB2 ASN 59 -8.189 12.714 -1.574 497 2HB ASN 59 HB1 ASN 59 -9.902 12.488 -1.908 498 1HD2 ASN 59 HD21 ASN 59 -10.473 14.357 -0.837 499 2HD2 ASN 59 HD22 ASN 59 -10.439 14.475 0.893 500 H ILE 60 HN ILE 60 -8.279 8.415 -1.598 501 HA ILE 60 HA ILE 60 -7.253 8.549 -4.137 502 HB ILE 60 HB ILE 60 -6.841 6.628 -2.824 503 1HG1 ILE 60 HG12 ILE 60 -8.624 5.785 -5.121 504 2HG1 ILE 60 HG11 ILE 60 -6.920 6.206 -5.246 505 1HG2 ILE 60 HG21 ILE 60 -8.796 6.588 -1.441 506 2HG2 ILE 60 HG22 ILE 60 -8.614 5.008 -2.206 507 3HG2 ILE 60 HG23 ILE 60 -9.816 6.149 -2.812 508 1HD1 ILE 60 HD11 ILE 60 -7.270 3.791 -5.270 509 2HD1 ILE 60 HD12 ILE 60 -8.035 3.890 -3.685 510 3HD1 ILE 60 HD13 ILE 60 -6.330 4.296 -3.865 511 H MET 61 HN MET 61 -10.616 8.025 -3.218 512 HA MET 61 HA MET 61 -11.361 8.439 -6.030 513 1HB MET 61 HB2 MET 61 -11.571 6.025 -4.771 514 2HB MET 61 HB1 MET 61 -13.148 6.721 -4.419 515 1HG MET 61 HG2 MET 61 -12.051 6.657 -7.206 516 2HG MET 61 HG1 MET 61 -12.876 5.266 -6.513 517 1HE MET 61 HE1 MET 61 -14.584 5.314 -8.515 518 2HE MET 61 HE2 MET 61 -13.801 6.732 -9.213 519 3HE MET 61 HE3 MET 61 -15.548 6.720 -8.967 520 H ASN 62 HN ASN 62 -11.133 10.418 -4.092 521 HA ASN 62 HA ASN 62 -12.228 12.176 -3.140 522 1HB ASN 62 HB2 ASN 62 -13.427 12.102 -5.377 523 2HB ASN 62 HB1 ASN 62 -14.705 11.197 -4.580 524 1HD2 ASN 62 HD21 ASN 62 -16.141 12.270 -3.251 525 2HD2 ASN 62 HD22 ASN 62 -16.169 13.994 -3.078 526 H THR 63 HN THR 63 -12.274 9.397 -2.043 527 HA THR 63 HA THR 63 -14.760 9.123 -0.628 528 HB THR 63 HB THR 63 -13.534 7.147 0.405 529 HG1 THR 63 HG1 THR 63 -11.565 6.589 -0.574 530 1HG2 THR 63 HG21 THR 63 -13.672 5.809 -1.627 531 2HG2 THR 63 HG22 THR 63 -13.668 7.271 -2.610 532 3HG2 THR 63 HG23 THR 63 -15.030 6.930 -1.539 533 H GLY 64 HN GLY 64 -11.656 10.506 0.004 534 1HA GLY 64 HA2 GLY 64 -10.956 11.722 1.864 535 2HA GLY 64 HA1 GLY 64 -12.428 11.233 2.697 536 H VAL 65 HN VAL 65 -10.754 8.713 1.196 537 HA VAL 65 HA VAL 65 -9.999 7.614 3.780 538 HB VAL 65 HB VAL 65 -9.929 6.304 1.051 539 1HG1 VAL 65 HG11 VAL 65 -8.426 5.220 2.606 540 2HG1 VAL 65 HG12 VAL 65 -9.834 4.197 2.321 541 3HG1 VAL 65 HG13 VAL 65 -9.704 5.124 3.817 542 1HG2 VAL 65 HG21 VAL 65 -11.966 5.108 1.868 543 2HG2 VAL 65 HG22 VAL 65 -12.198 6.825 1.541 544 3HG2 VAL 65 HG23 VAL 65 -12.030 6.259 3.202 545 H ASP 66 HN ASP 66 -7.971 7.258 4.428 546 HA ASP 66 HA ASP 66 -5.753 8.084 2.705 547 1HB ASP 66 HB2 ASP 66 -5.856 7.308 5.634 548 2HB ASP 66 HB1 ASP 66 -4.375 7.699 4.776 549 H ILE 67 HN ILE 67 -5.398 6.417 1.288 550 HA ILE 67 HA ILE 67 -5.402 3.678 2.152 551 HB ILE 67 HB ILE 67 -4.269 4.888 -0.389 552 1HG1 ILE 67 HG12 ILE 67 -6.686 5.261 -0.177 553 2HG1 ILE 67 HG11 ILE 67 -6.341 4.102 -1.455 554 1HG2 ILE 67 HG21 ILE 67 -3.278 2.723 0.088 555 2HG2 ILE 67 HG22 ILE 67 -4.381 2.600 -1.282 556 3HG2 ILE 67 HG23 ILE 67 -4.879 2.014 0.306 557 1HD1 ILE 67 HD11 ILE 67 -6.936 2.274 0.058 558 2HD1 ILE 67 HD12 ILE 67 -8.264 3.413 -0.161 559 3HD1 ILE 67 HD13 ILE 67 -7.306 3.448 1.319 560 H ILE 68 HN ILE 68 -3.911 3.119 3.607 561 HA ILE 68 HA ILE 68 -1.192 4.209 3.302 562 HB ILE 68 HB ILE 68 -0.943 3.953 5.750 563 1HG1 ILE 68 HG12 ILE 68 -3.915 3.371 5.696 564 2HG1 ILE 68 HG11 ILE 68 -2.656 2.210 6.098 565 1HG2 ILE 68 HG21 ILE 68 -2.349 5.877 6.366 566 2HG2 ILE 68 HG22 ILE 68 -3.236 5.689 4.852 567 3HG2 ILE 68 HG23 ILE 68 -1.524 6.107 4.823 568 1HD1 ILE 68 HD11 ILE 68 -3.289 4.711 7.638 569 2HD1 ILE 68 HD12 ILE 68 -2.050 3.525 8.048 570 3HD1 ILE 68 HD13 ILE 68 -3.755 3.070 8.087 571 H CYS 69 HN CYS 69 0.484 2.837 3.227 572 HA CYS 69 HA CYS 69 -0.036 -0.022 3.424 573 1HB CYS 69 HB2 CYS 69 2.715 1.095 3.054 574 2HB CYS 69 HB1 CYS 69 1.998 -0.364 2.371 575 HG CYS 69 HG CYS 69 2.066 2.757 1.159 576 H THR 70 HN THR 70 0.672 -1.319 5.101 577 HA THR 70 HA THR 70 1.640 0.217 7.416 578 HB THR 70 HB THR 70 -0.598 -0.725 7.725 579 HG1 THR 70 HG1 THR 70 1.524 -1.782 9.275 580 1HG2 THR 70 HG21 THR 70 0.720 -3.412 7.321 581 2HG2 THR 70 HG22 THR 70 -0.430 -2.646 6.226 582 3HG2 THR 70 HG23 THR 70 -0.949 -3.152 7.834 583 H LYS 71 HN LYS 71 2.814 -1.867 5.180 584 HA LYS 71 HA LYS 71 4.642 -3.123 7.099 585 1HB LYS 71 HB2 LYS 71 3.584 -4.638 5.453 586 2HB LYS 71 HB1 LYS 71 4.304 -3.700 4.151 587 1HG LYS 71 HG2 LYS 71 6.523 -4.318 4.872 588 2HG LYS 71 HG1 LYS 71 5.864 -5.151 6.280 589 1HD LYS 71 HD2 LYS 71 4.768 -6.767 4.856 590 2HD LYS 71 HD1 LYS 71 5.297 -5.900 3.413 591 1HE LYS 71 HE2 LYS 71 6.691 -7.866 3.868 592 2HE LYS 71 HE1 LYS 71 7.615 -6.369 3.947 593 1HZ LYS 71 HZ1 LYS 71 7.465 -6.450 6.366 594 2HZ LYS 71 HZ2 LYS 71 8.184 -7.857 5.758 595 3HZ LYS 71 HZ3 LYS 71 6.573 -7.892 6.281 596 H ASN 72 HN ASN 72 6.812 -2.708 7.063 597 HA ASN 72 HA ASN 72 7.555 -0.228 5.718 598 1HB ASN 72 HB2 ASN 72 9.047 -1.890 7.768 599 2HB ASN 72 HB1 ASN 72 9.627 -0.368 7.102 600 1HD2 ASN 72 HD21 ASN 72 6.362 -1.270 8.142 601 2HD2 ASN 72 HD22 ASN 72 6.241 -0.065 9.377 602 H LEU 73 HN LEU 73 8.911 -0.096 4.028 603 HA LEU 73 HA LEU 73 9.881 -2.631 2.931 604 1HB LEU 73 HB2 LEU 73 9.563 0.107 1.714 605 2HB LEU 73 HB1 LEU 73 10.413 -1.191 0.903 606 HG LEU 73 HG LEU 73 8.239 -1.127 -0.017 607 1HD1 LEU 73 HD11 LEU 73 8.344 -3.346 2.014 608 2HD1 LEU 73 HD12 LEU 73 9.054 -3.366 0.400 609 3HD1 LEU 73 HD13 LEU 73 7.301 -3.305 0.592 610 1HD2 LEU 73 HD21 LEU 73 6.192 -1.256 1.322 611 2HD2 LEU 73 HD22 LEU 73 7.127 0.195 1.684 612 3HD2 LEU 73 HD23 LEU 73 7.159 -1.173 2.796 613 HA PRO 74 HA PRO 74 13.921 -1.795 4.571 614 1HB PRO 74 HB2 PRO 74 14.741 -3.815 2.572 615 2HB PRO 74 HB1 PRO 74 14.973 -3.807 4.324 616 1HG PRO 74 HG2 PRO 74 13.189 -5.431 3.170 617 2HG PRO 74 HG1 PRO 74 12.861 -4.669 4.738 618 1HD PRO 74 HD2 PRO 74 11.846 -3.938 2.022 619 2HD PRO 74 HD1 PRO 74 10.993 -3.947 3.579 620 H LYS 75 HN LYS 75 15.164 -0.156 4.015 621 HA LYS 75 HA LYS 75 15.330 0.844 1.345 622 1HB LYS 75 HB2 LYS 75 16.987 1.547 3.779 623 2HB LYS 75 HB1 LYS 75 16.892 2.483 2.295 624 1HG LYS 75 HG2 LYS 75 14.525 1.927 4.061 625 2HG LYS 75 HG1 LYS 75 15.551 3.355 4.216 626 1HD LYS 75 HD2 LYS 75 15.023 3.953 1.885 627 2HD LYS 75 HD1 LYS 75 13.951 2.554 1.785 628 1HE LYS 75 HE2 LYS 75 12.714 4.623 2.226 629 2HE LYS 75 HE1 LYS 75 12.558 3.472 3.551 630 1HZ LYS 75 HZ1 LYS 75 14.476 5.740 3.529 631 2HZ LYS 75 HZ2 LYS 75 14.137 4.705 4.829 632 3HZ LYS 75 HZ3 LYS 75 12.955 5.786 4.275 633 H ASP 76 HN ASP 76 17.106 -1.409 3.226 634 HA ASP 76 HA ASP 76 19.583 -1.087 1.773 635 1HB ASP 76 HB2 ASP 76 18.799 -3.074 3.913 636 2HB ASP 76 HB1 ASP 76 20.416 -2.897 3.237 637 H SER 77 HN SER 77 19.772 -1.923 -0.175 638 HA SER 77 HA SER 77 18.520 -4.505 -0.777 639 1HB SER 77 HB2 SER 77 19.271 -3.948 -3.143 640 2HB SER 77 HB1 SER 77 18.059 -2.866 -2.459 641 HG SER 77 HG SER 77 19.642 -1.340 -2.094 642 H LEU 78 HN LEU 78 20.435 -4.839 1.005 643 HA LEU 78 HA LEU 78 23.093 -4.955 0.032 644 1HB LEU 78 HB2 LEU 78 23.673 -5.934 2.119 645 2HB LEU 78 HB1 LEU 78 22.451 -4.720 2.430 646 HG LEU 78 HG LEU 78 21.796 -7.655 2.220 647 1HD1 LEU 78 HD11 LEU 78 21.811 -7.712 4.663 648 2HD1 LEU 78 HD12 LEU 78 22.428 -6.061 4.698 649 3HD1 LEU 78 HD13 LEU 78 23.411 -7.356 4.017 650 1HD2 LEU 78 HD21 LEU 78 20.322 -5.320 3.441 651 2HD2 LEU 78 HD22 LEU 78 19.796 -7.003 3.484 652 3HD2 LEU 78 HD23 LEU 78 19.901 -6.152 1.943 653 H GLU 79 HN GLU 79 20.542 -6.911 -0.744 654 HA GLU 79 HA GLU 79 21.876 -9.445 -0.604 655 1HB GLU 79 HB2 GLU 79 19.384 -9.118 -0.400 656 2HB GLU 79 HB1 GLU 79 19.355 -8.796 -2.128 657 1HG GLU 79 HG2 GLU 79 20.101 -11.006 -2.628 658 2HG GLU 79 HG1 GLU 79 20.411 -11.341 -0.924 659 H HIS 80 HN HIS 80 23.772 -8.722 -1.771 660 HA HIS 80 HA HIS 80 23.415 -9.249 -4.654 661 1HB HIS 80 HB2 HIS 80 25.702 -7.793 -3.294 662 2HB HIS 80 HB1 HIS 80 25.630 -8.187 -5.005 663 HD1 HIS 80 HD1 HIS 80 24.588 -6.488 -6.502 664 HD2 HIS 80 HD2 HIS 80 23.699 -5.840 -2.490 665 HE1 HIS 80 HE1 HIS 80 23.443 -4.246 -6.410 666 HE2 HIS 80 HE2 HIS 80 23.075 -3.799 -3.952 667 H HIS 81 HN HIS 81 26.071 -9.384 -2.316 668 HA HIS 81 HA HIS 81 27.284 -11.049 -1.426 669 1HB HIS 81 HB2 HIS 81 25.031 -12.804 -2.393 670 2HB HIS 81 HB1 HIS 81 26.363 -13.372 -1.392 671 HD1 HIS 81 HD1 HIS 81 26.582 -11.325 0.768 672 HD2 HIS 81 HD2 HIS 81 22.906 -12.550 -0.747 673 HE1 HIS 81 HE1 HIS 81 24.901 -10.805 2.562 674 HE2 HIS 81 HE2 HIS 81 22.723 -11.735 1.707 675 H HIS 82 HN HIS 82 26.041 -12.779 -4.312 676 HA HIS 82 HA HIS 82 28.853 -13.084 -5.154 677 1HB HIS 82 HB2 HIS 82 26.835 -15.326 -5.300 678 2HB HIS 82 HB1 HIS 82 28.568 -15.420 -5.583 679 HD1 HIS 82 HD1 HIS 82 26.025 -15.884 -3.033 680 HD2 HIS 82 HD2 HIS 82 30.113 -15.090 -3.103 681 HE1 HIS 82 HE1 HIS 82 26.870 -16.456 -0.730 682 HE2 HIS 82 HE2 HIS 82 29.351 -16.028 -0.807 683 H HIS 83 HN HIS 83 29.140 -12.527 -7.248 684 HA HIS 83 HA HIS 83 26.752 -12.308 -8.920 685 1HB HIS 83 HB2 HIS 83 28.192 -10.329 -8.813 686 2HB HIS 83 HB1 HIS 83 29.552 -11.273 -9.411 687 HD1 HIS 83 HD1 HIS 83 25.995 -11.117 -10.774 688 HD2 HIS 83 HD2 HIS 83 29.915 -10.321 -11.932 689 HE1 HIS 83 HE1 HIS 83 25.875 -10.496 -13.206 690 HE2 HIS 83 HE2 HIS 83 28.266 -10.191 -13.929 691 H HIS 84 HN HIS 84 26.763 -14.715 -8.882 692 HA HIS 84 HA HIS 84 27.892 -15.559 -11.443 693 1HB HIS 84 HB2 HIS 84 28.154 -17.128 -8.867 694 2HB HIS 84 HB1 HIS 84 28.274 -17.881 -10.451 695 HD1 HIS 84 HD1 HIS 84 30.455 -17.586 -11.740 696 HD2 HIS 84 HD2 HIS 84 30.332 -15.458 -8.168 697 HE1 HIS 84 HE1 HIS 84 32.811 -16.813 -11.325 698 HE2 HIS 84 HE2 HIS 84 32.749 -15.734 -9.053 699 H HIS 85 HN HIS 85 26.238 -17.314 -8.889 700 HA HIS 85 HA HIS 85 23.604 -16.864 -9.582 701 1HB HIS 85 HB2 HIS 85 24.251 -18.053 -11.726 702 2HB HIS 85 HB1 HIS 85 24.561 -19.491 -10.758 703 HD1 HIS 85 HD1 HIS 85 22.620 -21.016 -10.451 704 HD2 HIS 85 HD2 HIS 85 21.445 -17.150 -11.437 705 HE1 HIS 85 HE1 HIS 85 20.122 -21.112 -10.723 706 HE2 HIS 85 HE2 HIS 85 19.426 -18.711 -11.041 Start of MODEL 3 1 1H MET 1 HT1 MET 1 -25.546 -3.360 2.610 2 2H MET 1 HT2 MET 1 -25.952 -2.456 1.234 3 3H MET 1 HT3 MET 1 -25.836 -1.692 2.745 4 HA MET 1 HA MET 1 -23.608 -2.935 1.239 5 1HB MET 1 HB2 MET 1 -24.206 -0.038 1.888 6 2HB MET 1 HB1 MET 1 -22.744 -0.619 1.104 7 1HG MET 1 HG2 MET 1 -24.060 -1.406 -0.789 8 2HG MET 1 HG1 MET 1 -25.535 -0.846 -0.001 9 1HE MET 1 HE1 MET 1 -25.138 1.710 -2.934 10 2HE MET 1 HE2 MET 1 -26.181 0.513 -2.167 11 3HE MET 1 HE3 MET 1 -24.704 0.001 -2.980 12 H HIS 2 HN HIS 2 -21.987 -3.600 2.475 13 HA HIS 2 HA HIS 2 -21.978 -2.761 5.297 14 1HB HIS 2 HB2 HIS 2 -22.217 -5.172 4.953 15 2HB HIS 2 HB1 HIS 2 -20.748 -5.198 3.981 16 HD1 HIS 2 HD1 HIS 2 -18.526 -5.246 5.211 17 HD2 HIS 2 HD2 HIS 2 -21.789 -4.842 7.753 18 HE1 HIS 2 HE1 HIS 2 -17.619 -5.576 7.526 19 HE2 HIS 2 HE2 HIS 2 -19.577 -5.199 9.062 20 H LYS 3 HN LYS 3 -20.578 -1.203 5.738 21 HA LYS 3 HA LYS 3 -18.186 -0.819 4.167 22 1HB LYS 3 HB2 LYS 3 -19.376 0.610 6.536 23 2HB LYS 3 HB1 LYS 3 -17.771 0.997 5.932 24 1HG LYS 3 HG2 LYS 3 -18.676 1.635 3.796 25 2HG LYS 3 HG1 LYS 3 -20.290 1.118 4.288 26 1HD LYS 3 HD2 LYS 3 -20.433 2.851 5.913 27 2HD LYS 3 HD1 LYS 3 -18.730 3.260 5.718 28 1HE LYS 3 HE2 LYS 3 -20.789 3.524 3.534 29 2HE LYS 3 HE1 LYS 3 -20.327 4.839 4.613 30 1HZ LYS 3 HZ1 LYS 3 -19.127 4.961 2.529 31 2HZ LYS 3 HZ2 LYS 3 -18.514 3.399 2.747 32 3HZ LYS 3 HZ3 LYS 3 -18.050 4.647 3.804 33 H ASP 4 HN ASP 4 -16.268 -1.657 4.580 34 HA ASP 4 HA ASP 4 -15.549 -2.432 7.312 35 1HB ASP 4 HB2 ASP 4 -16.456 -4.404 5.812 36 2HB ASP 4 HB1 ASP 4 -14.868 -4.299 5.063 37 H ILE 5 HN ILE 5 -13.043 -3.269 7.050 38 HA ILE 5 HA ILE 5 -11.765 -0.937 5.843 39 HB ILE 5 HB ILE 5 -10.603 -3.083 7.628 40 1HG1 ILE 5 HG12 ILE 5 -12.183 -1.619 8.794 41 2HG1 ILE 5 HG11 ILE 5 -10.537 -1.286 9.322 42 1HG2 ILE 5 HG21 ILE 5 -8.908 -2.184 6.130 43 2HG2 ILE 5 HG22 ILE 5 -8.635 -1.626 7.780 44 3HG2 ILE 5 HG23 ILE 5 -9.353 -0.539 6.589 45 1HD1 ILE 5 HD11 ILE 5 -12.124 0.348 7.353 46 2HD1 ILE 5 HD12 ILE 5 -10.472 0.681 7.873 47 3HD1 ILE 5 HD13 ILE 5 -11.796 0.767 9.034 48 H PHE 6 HN PHE 6 -11.558 -1.217 3.700 49 HA PHE 6 HA PHE 6 -10.970 -3.621 2.390 50 1HB PHE 6 HB2 PHE 6 -11.798 -1.586 1.251 51 2HB PHE 6 HB1 PHE 6 -10.237 -0.821 1.510 52 HD1 PHE 6 HD2 PHE 6 -11.969 -3.549 -0.268 53 HD2 PHE 6 HD1 PHE 6 -8.409 -1.241 0.074 54 HE1 PHE 6 HE2 PHE 6 -11.168 -4.477 -2.401 55 HE2 PHE 6 HE1 PHE 6 -7.603 -2.163 -2.060 56 HZ PHE 6 HZ PHE 6 -8.984 -3.782 -3.299 57 H THR 7 HN THR 7 -9.301 -4.857 2.914 58 HA THR 7 HA THR 7 -6.639 -3.608 3.051 59 HB THR 7 HB THR 7 -7.439 -6.214 4.362 60 HG1 THR 7 HG1 THR 7 -8.532 -4.287 5.237 61 1HG2 THR 7 HG21 THR 7 -5.048 -5.962 3.917 62 2HG2 THR 7 HG22 THR 7 -5.372 -5.879 5.648 63 3HG2 THR 7 HG23 THR 7 -5.050 -4.402 4.740 64 H SER 8 HN SER 8 -5.199 -4.265 1.552 65 HA SER 8 HA SER 8 -5.475 -6.841 0.247 66 1HB SER 8 HB2 SER 8 -7.037 -5.242 -0.964 67 2HB SER 8 HB1 SER 8 -5.604 -4.323 -1.429 68 HG SER 8 HG SER 8 -6.398 -5.962 -2.966 69 H VAL 9 HN VAL 9 -3.776 -6.590 -1.820 70 HA VAL 9 HA VAL 9 -1.371 -5.278 -0.744 71 HB VAL 9 HB VAL 9 0.001 -7.106 -1.736 72 1HG1 VAL 9 HG11 VAL 9 -0.479 -7.101 0.644 73 2HG1 VAL 9 HG12 VAL 9 -0.430 -8.753 0.027 74 3HG1 VAL 9 HG13 VAL 9 -1.981 -7.982 0.360 75 1HG2 VAL 9 HG21 VAL 9 -1.578 -7.958 -3.373 76 2HG2 VAL 9 HG22 VAL 9 -2.662 -8.484 -2.086 77 3HG2 VAL 9 HG23 VAL 9 -1.085 -9.250 -2.276 78 H VAL 10 HN VAL 10 -0.106 -4.204 -2.200 79 HA VAL 10 HA VAL 10 -1.076 -4.160 -4.984 80 HB VAL 10 HB VAL 10 -1.633 -2.084 -3.703 81 1HG1 VAL 10 HG11 VAL 10 0.160 -0.506 -3.162 82 2HG1 VAL 10 HG12 VAL 10 1.354 -1.729 -3.596 83 3HG1 VAL 10 HG13 VAL 10 0.277 -1.995 -2.225 84 1HG2 VAL 10 HG21 VAL 10 -1.424 -2.002 -6.120 85 2HG2 VAL 10 HG22 VAL 10 0.312 -1.719 -5.979 86 3HG2 VAL 10 HG23 VAL 10 -0.830 -0.506 -5.399 87 H ARG 11 HN ARG 11 0.549 -3.732 -6.608 88 HA ARG 11 HA ARG 11 3.058 -4.977 -5.917 89 1HB ARG 11 HB2 ARG 11 2.073 -3.937 -8.575 90 2HB ARG 11 HB1 ARG 11 3.579 -4.808 -8.327 91 1HG ARG 11 HG2 ARG 11 1.987 -6.619 -7.291 92 2HG ARG 11 HG1 ARG 11 0.780 -5.802 -8.290 93 1HD ARG 11 HD2 ARG 11 1.660 -7.530 -9.635 94 2HD ARG 11 HD1 ARG 11 2.406 -6.040 -10.210 95 HE ARG 11 HE ARG 11 3.742 -8.051 -8.508 96 1HH1 ARG 11 HH11 ARG 11 3.896 -5.457 -10.863 97 2HH1 ARG 11 HH12 ARG 11 5.610 -5.605 -11.105 98 1HH2 ARG 11 HH21 ARG 11 5.962 -8.274 -8.842 99 2HH2 ARG 11 HH22 ARG 11 6.786 -7.243 -9.977 100 H VAL 12 HN VAL 12 4.900 -4.038 -5.584 101 HA VAL 12 HA VAL 12 4.982 -1.113 -5.584 102 HB VAL 12 HB VAL 12 6.952 -3.021 -4.322 103 1HG1 VAL 12 HG11 VAL 12 7.493 -1.114 -2.904 104 2HG1 VAL 12 HG12 VAL 12 6.322 -0.129 -3.782 105 3HG1 VAL 12 HG13 VAL 12 7.754 -0.745 -4.610 106 1HG2 VAL 12 HG21 VAL 12 5.738 -2.665 -2.216 107 2HG2 VAL 12 HG22 VAL 12 4.752 -3.489 -3.423 108 3HG2 VAL 12 HG23 VAL 12 4.498 -1.774 -3.100 109 H ARG 13 HN ARG 13 6.608 0.050 -6.632 110 HA ARG 13 HA ARG 13 8.424 -1.492 -8.340 111 1HB ARG 13 HB2 ARG 13 6.517 -1.070 -9.764 112 2HB ARG 13 HB1 ARG 13 6.511 0.633 -9.323 113 1HG ARG 13 HG2 ARG 13 8.589 0.991 -10.472 114 2HG ARG 13 HG1 ARG 13 8.752 -0.736 -10.796 115 1HD ARG 13 HD2 ARG 13 6.900 -0.718 -12.281 116 2HD ARG 13 HD1 ARG 13 6.426 0.905 -11.777 117 HE ARG 13 HE ARG 13 8.414 1.741 -12.886 118 1HH1 ARG 13 HH11 ARG 13 7.421 -1.530 -13.697 119 2HH1 ARG 13 HH12 ARG 13 8.264 -1.533 -15.216 120 1HH2 ARG 13 HH21 ARG 13 9.521 1.727 -14.869 121 2HH2 ARG 13 HH22 ARG 13 9.457 0.319 -15.891 122 H GLY 14 HN GLY 14 10.264 -0.866 -7.438 123 1HA GLY 14 HA2 GLY 14 11.423 1.609 -7.952 124 2HA GLY 14 HA1 GLY 14 10.772 1.674 -6.318 125 H SER 15 HN SER 15 13.244 1.987 -6.066 126 HA SER 15 HA SER 15 14.737 -0.498 -6.227 127 1HB SER 15 HB2 SER 15 15.682 1.793 -6.836 128 2HB SER 15 HB1 SER 15 15.718 2.130 -5.105 129 HG SER 15 HG SER 15 17.375 0.837 -4.862 130 H LYS 16 HN LYS 16 13.385 -1.607 -4.721 131 HA LYS 16 HA LYS 16 14.547 -1.628 -2.117 132 1HB LYS 16 HB2 LYS 16 12.176 -1.518 -1.024 133 2HB LYS 16 HB1 LYS 16 13.043 -0.035 -1.383 134 1HG LYS 16 HG2 LYS 16 10.927 0.450 -2.125 135 2HG LYS 16 HG1 LYS 16 11.707 -0.098 -3.610 136 1HD LYS 16 HD2 LYS 16 9.640 -1.183 -3.601 137 2HD LYS 16 HD1 LYS 16 10.771 -2.407 -3.013 138 1HE LYS 16 HE2 LYS 16 8.799 -2.443 -1.635 139 2HE LYS 16 HE1 LYS 16 10.146 -1.804 -0.693 140 1HZ LYS 16 HZ1 LYS 16 8.018 -0.184 -1.991 141 2HZ LYS 16 HZ2 LYS 16 9.306 0.439 -1.090 142 3HZ LYS 16 HZ3 LYS 16 8.133 -0.520 -0.340 143 H LYS 17 HN LYS 17 13.948 -3.570 -0.923 144 HA LYS 17 HA LYS 17 13.887 -5.664 -2.919 145 1HB LYS 17 HB2 LYS 17 15.596 -5.392 -1.041 146 2HB LYS 17 HB1 LYS 17 14.351 -6.011 0.036 147 1HG LYS 17 HG2 LYS 17 14.284 -8.096 -1.140 148 2HG LYS 17 HG1 LYS 17 15.371 -7.479 -2.387 149 1HD LYS 17 HD2 LYS 17 17.130 -7.209 -0.677 150 2HD LYS 17 HD1 LYS 17 16.042 -7.910 0.524 151 1HE LYS 17 HE2 LYS 17 15.984 -9.995 -0.661 152 2HE LYS 17 HE1 LYS 17 16.892 -9.306 -2.007 153 1HZ LYS 17 HZ1 LYS 17 17.897 -9.764 0.755 154 2HZ LYS 17 HZ2 LYS 17 18.767 -8.975 -0.471 155 3HZ LYS 17 HZ3 LYS 17 18.349 -10.605 -0.650 156 H TYR 18 HN TYR 18 11.331 -4.513 -2.440 157 HA TYR 18 HA TYR 18 9.868 -6.949 -1.900 158 1HB TYR 18 HB2 TYR 18 9.613 -4.518 -0.162 159 2HB TYR 18 HB1 TYR 18 8.194 -5.510 -0.475 160 HD1 TYR 18 HD1 TYR 18 8.219 -7.921 0.208 161 HD2 TYR 18 HD2 TYR 18 11.263 -5.203 1.412 162 HE1 TYR 18 HE1 TYR 18 8.871 -9.463 2.006 163 HE2 TYR 18 HE2 TYR 18 11.930 -6.740 3.216 164 HH TYR 18 HH TYR 18 10.738 -9.974 3.416 165 H ASN 19 HN ASN 19 8.785 -7.130 -3.764 166 HA ASN 19 HA ASN 19 7.878 -4.727 -5.131 167 1HB ASN 19 HB2 ASN 19 7.874 -7.631 -5.958 168 2HB ASN 19 HB1 ASN 19 7.178 -6.343 -6.936 169 1HD2 ASN 19 HD21 ASN 19 8.555 -4.749 -7.793 170 2HD2 ASN 19 HD22 ASN 19 10.241 -5.061 -8.016 171 H VAL 20 HN VAL 20 6.605 -6.325 -2.678 172 HA VAL 20 HA VAL 20 3.898 -5.614 -3.515 173 HB VAL 20 HB VAL 20 2.996 -7.647 -2.295 174 1HG1 VAL 20 HG11 VAL 20 3.257 -9.134 -4.234 175 2HG1 VAL 20 HG12 VAL 20 4.556 -8.104 -4.835 176 3HG1 VAL 20 HG13 VAL 20 2.914 -7.471 -4.721 177 1HG2 VAL 20 HG21 VAL 20 4.479 -9.606 -2.167 178 2HG2 VAL 20 HG22 VAL 20 5.027 -8.296 -1.122 179 3HG2 VAL 20 HG23 VAL 20 5.836 -8.596 -2.661 180 H VAL 21 HN VAL 21 2.851 -4.468 -2.013 181 HA VAL 21 HA VAL 21 3.647 -4.800 0.795 182 HB VAL 21 HB VAL 21 4.693 -2.740 -0.097 183 1HG1 VAL 21 HG11 VAL 21 1.862 -1.795 -0.497 184 2HG1 VAL 21 HG12 VAL 21 3.042 -2.125 -1.765 185 3HG1 VAL 21 HG13 VAL 21 3.311 -0.798 -0.636 186 1HG2 VAL 21 HG21 VAL 21 4.174 -2.870 2.257 187 2HG2 VAL 21 HG22 VAL 21 2.533 -2.299 1.952 188 3HG2 VAL 21 HG23 VAL 21 3.905 -1.228 1.673 189 HA PRO 22 HA PRO 22 -0.774 -5.181 1.321 190 1HB PRO 22 HB2 PRO 22 -0.763 -5.289 4.034 191 2HB PRO 22 HB1 PRO 22 -0.321 -6.663 3.016 192 1HG PRO 22 HG2 PRO 22 1.441 -4.724 4.457 193 2HG PRO 22 HG1 PRO 22 1.614 -6.480 4.278 194 1HD PRO 22 HD2 PRO 22 3.017 -4.695 2.782 195 2HD PRO 22 HD1 PRO 22 2.556 -6.303 2.191 196 H VAL 23 HN VAL 23 -2.163 -3.584 1.199 197 HA VAL 23 HA VAL 23 -1.677 -1.111 2.724 198 HB VAL 23 HB VAL 23 -2.900 0.102 0.971 199 1HG1 VAL 23 HG11 VAL 23 -0.611 -1.539 -0.096 200 2HG1 VAL 23 HG12 VAL 23 -0.480 -0.034 0.817 201 3HG1 VAL 23 HG13 VAL 23 -1.208 -0.032 -0.790 202 1HG2 VAL 23 HG21 VAL 23 -3.433 -0.982 -1.155 203 2HG2 VAL 23 HG22 VAL 23 -4.330 -1.706 0.179 204 3HG2 VAL 23 HG23 VAL 23 -2.925 -2.534 -0.492 205 H LYS 24 HN LYS 24 -3.561 0.019 3.479 206 HA LYS 24 HA LYS 24 -6.032 -1.555 3.581 207 1HB LYS 24 HB2 LYS 24 -6.222 -0.998 6.034 208 2HB LYS 24 HB1 LYS 24 -4.978 -2.173 5.630 209 1HG LYS 24 HG2 LYS 24 -3.251 -0.545 5.886 210 2HG LYS 24 HG1 LYS 24 -4.431 0.755 6.054 211 1HD LYS 24 HD2 LYS 24 -3.495 0.110 8.218 212 2HD LYS 24 HD1 LYS 24 -5.226 -0.220 8.140 213 1HE LYS 24 HE2 LYS 24 -4.740 -2.581 7.666 214 2HE LYS 24 HE1 LYS 24 -3.013 -2.237 7.769 215 1HZ LYS 24 HZ1 LYS 24 -4.968 -1.863 9.978 216 2HZ LYS 24 HZ2 LYS 24 -3.293 -1.606 10.072 217 3HZ LYS 24 HZ3 LYS 24 -3.901 -3.175 9.833 218 H SER 25 HN SER 25 -7.804 -0.200 4.651 219 HA SER 25 HA SER 25 -7.590 2.563 3.668 220 1HB SER 25 HB2 SER 25 -10.091 0.925 4.154 221 2HB SER 25 HB1 SER 25 -9.999 2.510 3.384 222 HG SER 25 HG SER 25 -8.551 0.325 2.346 223 H ASN 26 HN ASN 26 -7.715 4.183 5.087 224 HA ASN 26 HA ASN 26 -7.892 3.657 7.890 225 1HB ASN 26 HB2 ASN 26 -7.551 6.029 8.187 226 2HB ASN 26 HB1 ASN 26 -6.493 5.479 6.893 227 1HD2 ASN 26 HD21 ASN 26 -7.491 8.143 7.458 228 2HD2 ASN 26 HD22 ASN 26 -8.321 8.658 6.031 229 H LYS 27 HN LYS 27 -10.148 4.455 5.437 230 HA LYS 27 HA LYS 27 -12.228 4.939 7.464 231 1HB LYS 27 HB2 LYS 27 -11.518 6.516 5.264 232 2HB LYS 27 HB1 LYS 27 -12.966 5.666 4.744 233 1HG LYS 27 HG2 LYS 27 -13.561 7.799 5.691 234 2HG LYS 27 HG1 LYS 27 -14.147 6.505 6.734 235 1HD LYS 27 HD2 LYS 27 -13.169 8.310 8.052 236 2HD LYS 27 HD1 LYS 27 -12.232 6.827 8.220 237 1HE LYS 27 HE2 LYS 27 -10.719 8.676 7.978 238 2HE LYS 27 HE1 LYS 27 -10.648 7.689 6.520 239 1HZ LYS 27 HZ1 LYS 27 -12.197 9.306 5.479 240 2HZ LYS 27 HZ2 LYS 27 -10.695 9.972 5.892 241 3HZ LYS 27 HZ3 LYS 27 -12.052 10.285 6.856 242 HA PRO 28 HA PRO 28 -13.797 0.997 6.186 243 1HB PRO 28 HB2 PRO 28 -16.375 1.270 7.066 244 2HB PRO 28 HB1 PRO 28 -15.008 0.923 8.133 245 1HG PRO 28 HG2 PRO 28 -16.369 3.530 7.582 246 2HG PRO 28 HG1 PRO 28 -15.787 2.872 9.124 247 1HD PRO 28 HD2 PRO 28 -14.405 4.738 7.738 248 2HD PRO 28 HD1 PRO 28 -13.600 3.487 8.707 249 H VAL 29 HN VAL 29 -14.126 0.561 4.155 250 HA VAL 29 HA VAL 29 -16.029 2.159 2.583 251 HB VAL 29 HB VAL 29 -14.804 1.051 0.619 252 1HG1 VAL 29 HG11 VAL 29 -14.526 3.404 1.229 253 2HG1 VAL 29 HG12 VAL 29 -13.004 2.707 0.678 254 3HG1 VAL 29 HG13 VAL 29 -13.289 2.953 2.402 255 1HG2 VAL 29 HG21 VAL 29 -12.826 0.484 2.809 256 2HG2 VAL 29 HG22 VAL 29 -12.511 0.334 1.080 257 3HG2 VAL 29 HG23 VAL 29 -13.703 -0.712 1.852 258 H GLU 30 HN GLU 30 -17.522 1.129 1.227 259 HA GLU 30 HA GLU 30 -18.720 -1.167 2.335 260 1HB GLU 30 HB2 GLU 30 -19.234 -0.053 -0.424 261 2HB GLU 30 HB1 GLU 30 -20.320 -1.041 0.540 262 1HG GLU 30 HG2 GLU 30 -21.236 1.007 0.887 263 2HG GLU 30 HG1 GLU 30 -20.103 0.952 2.235 264 H ILE 31 HN ILE 31 -18.781 -3.269 1.723 265 HA ILE 31 HA ILE 31 -16.576 -4.281 0.190 266 HB ILE 31 HB ILE 31 -17.558 -6.506 0.653 267 1HG1 ILE 31 HG12 ILE 31 -19.663 -4.952 2.174 268 2HG1 ILE 31 HG11 ILE 31 -19.939 -5.755 0.632 269 1HG2 ILE 31 HG21 ILE 31 -15.994 -5.492 2.216 270 2HG2 ILE 31 HG22 ILE 31 -17.206 -6.440 3.077 271 3HG2 ILE 31 HG23 ILE 31 -17.324 -4.681 3.041 272 1HD1 ILE 31 HD11 ILE 31 -19.419 -7.902 1.670 273 2HD1 ILE 31 HD12 ILE 31 -20.768 -7.092 2.465 274 3HD1 ILE 31 HD13 ILE 31 -19.171 -7.090 3.214 275 H SER 32 HN SER 32 -18.827 -2.689 -1.085 276 HA SER 32 HA SER 32 -19.328 -4.560 -3.295 277 1HB SER 32 HB2 SER 32 -20.812 -2.006 -2.616 278 2HB SER 32 HB1 SER 32 -21.217 -3.133 -3.911 279 HG SER 32 HG SER 32 -22.209 -4.342 -2.516 280 H LYS 33 HN LYS 33 -17.176 -2.388 -2.369 281 HA LYS 33 HA LYS 33 -17.058 -0.913 -4.910 282 1HB LYS 33 HB2 LYS 33 -15.764 -0.314 -2.241 283 2HB LYS 33 HB1 LYS 33 -15.573 0.656 -3.695 284 1HG LYS 33 HG2 LYS 33 -18.183 0.150 -2.277 285 2HG LYS 33 HG1 LYS 33 -17.207 1.611 -2.135 286 1HD LYS 33 HD2 LYS 33 -18.287 0.587 -4.753 287 2HD LYS 33 HD1 LYS 33 -19.140 1.755 -3.742 288 1HE LYS 33 HE2 LYS 33 -17.415 3.366 -4.002 289 2HE LYS 33 HE1 LYS 33 -16.324 2.181 -4.720 290 1HZ LYS 33 HZ1 LYS 33 -18.893 2.898 -5.997 291 2HZ LYS 33 HZ2 LYS 33 -17.531 2.153 -6.696 292 3HZ LYS 33 HZ3 LYS 33 -17.481 3.795 -6.274 293 H TRP 34 HN TRP 34 -16.010 -3.712 -4.100 294 HA TRP 34 HA TRP 34 -13.245 -3.805 -4.053 295 1HB TRP 34 HB2 TRP 34 -15.184 -5.673 -5.428 296 2HB TRP 34 HB1 TRP 34 -13.472 -6.017 -5.236 297 HD1 TRP 34 HD1 TRP 34 -16.757 -6.046 -3.367 298 HE1 TRP 34 HE1 TRP 34 -16.415 -7.168 -1.078 299 HE3 TRP 34 HE3 TRP 34 -11.653 -6.352 -3.373 300 HZ2 TRP 34 HZ2 TRP 34 -14.266 -8.057 0.517 301 HZ3 TRP 34 HZ3 TRP 34 -10.530 -7.359 -1.427 302 HH2 TRP 34 HH2 TRP 34 -11.813 -8.193 0.476 303 H ILE 35 HN ILE 35 -15.391 -3.690 -6.859 304 HA ILE 35 HA ILE 35 -13.527 -4.076 -8.867 305 HB ILE 35 HB ILE 35 -15.817 -4.206 -9.432 306 1HG1 ILE 35 HG12 ILE 35 -14.706 -1.718 -10.749 307 2HG1 ILE 35 HG11 ILE 35 -14.353 -3.375 -11.228 308 1HG2 ILE 35 HG21 ILE 35 -16.750 -2.733 -7.764 309 2HG2 ILE 35 HG22 ILE 35 -17.362 -2.298 -9.361 310 3HG2 ILE 35 HG23 ILE 35 -16.099 -1.325 -8.604 311 1HD1 ILE 35 HD11 ILE 35 -15.987 -2.391 -12.703 312 2HD1 ILE 35 HD12 ILE 35 -17.039 -2.022 -11.338 313 3HD1 ILE 35 HD13 ILE 35 -16.719 -3.700 -11.776 314 H ASP 36 HN ASP 36 -14.617 -0.976 -7.497 315 HA ASP 36 HA ASP 36 -13.157 0.618 -9.306 316 1HB ASP 36 HB2 ASP 36 -14.261 1.288 -6.574 317 2HB ASP 36 HB1 ASP 36 -13.597 2.471 -7.696 318 H PHE 37 HN PHE 37 -12.466 -0.389 -5.969 319 HA PHE 37 HA PHE 37 -10.019 1.027 -5.821 320 1HB PHE 37 HB2 PHE 37 -11.191 -1.208 -4.185 321 2HB PHE 37 HB1 PHE 37 -9.576 -0.582 -3.867 322 HD1 PHE 37 HD2 PHE 37 -9.265 1.725 -3.102 323 HD2 PHE 37 HD1 PHE 37 -13.144 0.048 -3.604 324 HE1 PHE 37 HE2 PHE 37 -10.222 3.550 -1.758 325 HE2 PHE 37 HE1 PHE 37 -14.110 1.872 -2.262 326 HZ PHE 37 HZ PHE 37 -12.647 3.626 -1.335 327 H SER 38 HN SER 38 -10.837 -2.255 -6.814 328 HA SER 38 HA SER 38 -8.212 -3.262 -6.935 329 1HB SER 38 HB2 SER 38 -10.620 -4.037 -8.598 330 2HB SER 38 HB1 SER 38 -9.133 -4.977 -8.457 331 HG SER 38 HG SER 38 -10.966 -4.331 -6.381 332 H ASN 39 HN ASN 39 -10.187 -1.540 -9.311 333 HA ASN 39 HA ASN 39 -8.404 -1.756 -11.482 334 1HB ASN 39 HB2 ASN 39 -10.485 0.343 -10.843 335 2HB ASN 39 HB1 ASN 39 -9.601 0.276 -12.363 336 1HD2 ASN 39 HD21 ASN 39 -12.452 0.056 -11.872 337 2HD2 ASN 39 HD22 ASN 39 -12.934 -1.474 -12.518 338 H VAL 40 HN VAL 40 -8.713 0.651 -8.916 339 HA VAL 40 HA VAL 40 -6.815 2.462 -9.978 340 HB VAL 40 HB VAL 40 -7.718 2.129 -7.112 341 1HG1 VAL 40 HG11 VAL 40 -7.028 4.480 -6.854 342 2HG1 VAL 40 HG12 VAL 40 -6.361 4.447 -8.490 343 3HG1 VAL 40 HG13 VAL 40 -5.670 3.421 -7.232 344 1HG2 VAL 40 HG21 VAL 40 -9.268 3.963 -7.622 345 2HG2 VAL 40 HG22 VAL 40 -9.587 2.532 -8.600 346 3HG2 VAL 40 HG23 VAL 40 -8.753 3.914 -9.308 347 H LEU 41 HN LEU 41 -6.572 -0.031 -7.443 348 HA LEU 41 HA LEU 41 -3.851 0.476 -6.859 349 1HB LEU 41 HB2 LEU 41 -5.511 -1.997 -6.397 350 2HB LEU 41 HB1 LEU 41 -3.910 -1.739 -5.731 351 HG LEU 41 HG LEU 41 -6.364 -0.089 -5.124 352 1HD1 LEU 41 HD11 LEU 41 -6.458 -2.282 -4.108 353 2HD1 LEU 41 HD12 LEU 41 -6.139 -1.057 -2.880 354 3HD1 LEU 41 HD13 LEU 41 -4.828 -2.080 -3.467 355 1HD2 LEU 41 HD21 LEU 41 -4.338 1.269 -5.073 356 2HD2 LEU 41 HD22 LEU 41 -3.566 0.092 -4.011 357 3HD2 LEU 41 HD23 LEU 41 -4.963 1.005 -3.446 358 H SER 42 HN SER 42 -5.428 -1.516 -9.254 359 HA SER 42 HA SER 42 -3.123 -3.051 -9.937 360 1HB SER 42 HB2 SER 42 -5.529 -3.679 -10.419 361 2HB SER 42 HB1 SER 42 -5.514 -2.466 -11.697 362 HG SER 42 HG SER 42 -4.624 -3.914 -12.914 363 H ARG 43 HN ARG 43 -4.178 0.129 -10.629 364 HA ARG 43 HA ARG 43 -2.333 0.387 -12.898 365 1HB ARG 43 HB2 ARG 43 -4.664 2.030 -11.932 366 2HB ARG 43 HB1 ARG 43 -3.494 2.682 -13.070 367 1HG ARG 43 HG2 ARG 43 -4.042 1.024 -14.693 368 2HG ARG 43 HG1 ARG 43 -5.054 0.156 -13.537 369 1HD ARG 43 HD2 ARG 43 -6.218 1.651 -15.257 370 2HD ARG 43 HD1 ARG 43 -6.708 1.797 -13.572 371 HE ARG 43 HE ARG 43 -5.269 3.810 -13.475 372 1HH1 ARG 43 HH11 ARG 43 -6.379 2.661 -16.605 373 2HH1 ARG 43 HH12 ARG 43 -6.362 4.249 -17.319 374 1HH2 ARG 43 HH21 ARG 43 -5.259 5.876 -14.429 375 2HH2 ARG 43 HH22 ARG 43 -5.717 6.066 -16.095 376 H LEU 44 HN LEU 44 -2.256 0.693 -9.649 377 HA LEU 44 HA LEU 44 -0.626 3.132 -9.689 378 1HB LEU 44 HB2 LEU 44 -2.561 3.203 -8.187 379 2HB LEU 44 HB1 LEU 44 -1.986 1.762 -7.369 380 HG LEU 44 HG LEU 44 0.014 3.009 -6.618 381 1HD1 LEU 44 HD11 LEU 44 0.117 4.651 -8.420 382 2HD1 LEU 44 HD12 LEU 44 0.075 5.436 -6.842 383 3HD1 LEU 44 HD13 LEU 44 -1.376 5.389 -7.841 384 1HD2 LEU 44 HD21 LEU 44 -1.980 2.837 -5.199 385 2HD2 LEU 44 HD22 LEU 44 -2.598 4.331 -5.903 386 3HD2 LEU 44 HD23 LEU 44 -1.119 4.354 -4.943 387 H TYR 45 HN TYR 45 1.315 2.246 -10.333 388 HA TYR 45 HA TYR 45 2.497 0.229 -8.581 389 1HB TYR 45 HB2 TYR 45 3.359 1.393 -11.226 390 2HB TYR 45 HB1 TYR 45 4.432 0.401 -10.244 391 HD1 TYR 45 HD2 TYR 45 1.339 0.404 -12.251 392 HD2 TYR 45 HD1 TYR 45 4.114 -1.966 -10.063 393 HE1 TYR 45 HE2 TYR 45 0.360 -1.632 -13.225 394 HE2 TYR 45 HE1 TYR 45 3.142 -4.007 -11.029 395 HH TYR 45 HH TYR 45 0.961 -3.935 -13.673 396 H VAL 46 HN VAL 46 2.838 1.365 -6.736 397 HA VAL 46 HA VAL 46 4.522 3.761 -6.899 398 HB VAL 46 HB VAL 46 2.439 4.040 -5.639 399 1HG1 VAL 46 HG11 VAL 46 2.076 2.857 -3.519 400 2HG1 VAL 46 HG12 VAL 46 3.492 1.857 -3.841 401 3HG1 VAL 46 HG13 VAL 46 2.084 1.761 -4.899 402 1HG2 VAL 46 HG21 VAL 46 4.886 4.066 -3.876 403 2HG2 VAL 46 HG22 VAL 46 3.379 4.919 -3.545 404 3HG2 VAL 46 HG23 VAL 46 4.351 5.360 -4.951 405 H GLY 47 HN GLY 47 6.529 3.816 -5.954 406 1HA GLY 47 HA2 GLY 47 7.486 1.236 -4.887 407 2HA GLY 47 HA1 GLY 47 8.492 2.381 -5.764 408 H VAL 48 HN VAL 48 9.958 3.050 -4.407 409 HA VAL 48 HA VAL 48 10.923 4.277 -2.746 410 HB VAL 48 HB VAL 48 8.074 4.989 -2.023 411 1HG1 VAL 48 HG11 VAL 48 10.641 6.260 -1.078 412 2HG1 VAL 48 HG12 VAL 48 9.530 5.308 -0.092 413 3HG1 VAL 48 HG13 VAL 48 9.013 6.857 -0.758 414 1HG2 VAL 48 HG21 VAL 48 8.723 5.725 -4.244 415 2HG2 VAL 48 HG22 VAL 48 10.169 6.489 -3.584 416 3HG2 VAL 48 HG23 VAL 48 8.573 7.104 -3.154 417 HA PRO 49 HA PRO 49 10.854 1.487 0.783 418 1HB PRO 49 HB2 PRO 49 12.759 2.713 2.254 419 2HB PRO 49 HB1 PRO 49 13.145 1.732 0.835 420 1HG PRO 49 HG2 PRO 49 12.965 4.708 1.087 421 2HG PRO 49 HG1 PRO 49 14.159 3.728 0.218 422 1HD PRO 49 HD2 PRO 49 12.062 4.970 -1.006 423 2HD PRO 49 HD1 PRO 49 12.805 3.478 -1.616 424 H THR 50 HN THR 50 8.839 1.899 1.665 425 HA THR 50 HA THR 50 8.576 4.293 3.333 426 HB THR 50 HB THR 50 6.078 3.602 3.218 427 HG1 THR 50 HG1 THR 50 5.805 2.587 0.999 428 1HG2 THR 50 HG21 THR 50 7.518 4.662 0.781 429 2HG2 THR 50 HG22 THR 50 6.989 5.615 2.168 430 3HG2 THR 50 HG23 THR 50 5.797 4.849 1.116 431 H LYS 51 HN LYS 51 7.248 4.036 5.319 432 HA LYS 51 HA LYS 51 7.679 1.398 6.555 433 1HB LYS 51 HB2 LYS 51 7.681 4.124 7.866 434 2HB LYS 51 HB1 LYS 51 7.801 2.597 8.729 435 1HG LYS 51 HG2 LYS 51 9.898 2.121 7.479 436 2HG LYS 51 HG1 LYS 51 9.793 3.734 6.774 437 1HD LYS 51 HD2 LYS 51 9.973 3.122 9.723 438 2HD LYS 51 HD1 LYS 51 11.310 3.659 8.707 439 1HE LYS 51 HE2 LYS 51 10.164 5.752 8.265 440 2HE LYS 51 HE1 LYS 51 8.770 5.211 9.198 441 1HZ LYS 51 HZ1 LYS 51 11.504 5.673 10.265 442 2HZ LYS 51 HZ2 LYS 51 10.178 5.120 11.167 443 3HZ LYS 51 HZ3 LYS 51 10.158 6.679 10.497 444 H SER 52 HN SER 52 6.145 1.303 8.628 445 HA SER 52 HA SER 52 3.565 0.960 7.583 446 1HB SER 52 HB2 SER 52 4.458 -0.354 9.472 447 2HB SER 52 HB1 SER 52 4.420 1.086 10.486 448 HG SER 52 HG SER 52 2.380 0.772 10.813 449 H GLY 53 HN GLY 53 1.837 2.228 7.463 450 1HA GLY 53 HA2 GLY 53 0.353 3.909 8.192 451 2HA GLY 53 HA1 GLY 53 1.643 4.591 9.172 452 H ASN 54 HN ASN 54 2.245 3.720 5.866 453 HA ASN 54 HA ASN 54 2.628 6.572 5.296 454 1HB ASN 54 HB2 ASN 54 4.002 5.950 3.439 455 2HB ASN 54 HB1 ASN 54 4.487 4.959 4.806 456 1HD2 ASN 54 HD21 ASN 54 4.124 2.754 4.754 457 2HD2 ASN 54 HD22 ASN 54 3.675 1.927 3.300 458 H VAL 55 HN VAL 55 1.220 7.706 4.128 459 HA VAL 55 HA VAL 55 -0.984 6.320 2.844 460 HB VAL 55 HB VAL 55 -0.495 9.301 2.802 461 1HG1 VAL 55 HG11 VAL 55 -3.015 7.674 2.526 462 2HG1 VAL 55 HG12 VAL 55 -2.127 8.434 1.206 463 3HG1 VAL 55 HG13 VAL 55 -2.895 9.433 2.441 464 1HG2 VAL 55 HG21 VAL 55 -2.029 7.738 4.874 465 2HG2 VAL 55 HG22 VAL 55 -2.019 9.496 4.710 466 3HG2 VAL 55 HG23 VAL 55 -0.534 8.638 5.137 467 H VAL 56 HN VAL 56 -0.541 5.484 0.871 468 HA VAL 56 HA VAL 56 1.309 6.782 -0.920 469 HB VAL 56 HB VAL 56 0.511 5.050 -2.589 470 1HG1 VAL 56 HG11 VAL 56 1.707 3.219 -1.488 471 2HG1 VAL 56 HG12 VAL 56 1.606 4.084 0.046 472 3HG1 VAL 56 HG13 VAL 56 2.539 4.760 -1.290 473 1HG2 VAL 56 HG21 VAL 56 -1.687 4.602 -1.646 474 2HG2 VAL 56 HG22 VAL 56 -0.944 3.971 -0.177 475 3HG2 VAL 56 HG23 VAL 56 -0.724 3.127 -1.711 476 H CYS 57 HN CYS 57 -2.188 6.409 -0.668 477 HA CYS 57 HA CYS 57 -2.455 8.646 -2.553 478 1HB CYS 57 HB2 CYS 57 -3.073 6.451 -3.629 479 2HB CYS 57 HB1 CYS 57 -4.362 6.297 -2.441 480 HG CYS 57 HG CYS 57 -4.123 8.464 -5.050 481 H LYS 58 HN LYS 58 -3.046 10.264 -1.264 482 HA LYS 58 HA LYS 58 -4.758 9.746 1.033 483 1HB LYS 58 HB2 LYS 58 -2.617 11.198 1.032 484 2HB LYS 58 HB1 LYS 58 -3.603 12.413 0.233 485 1HG LYS 58 HG2 LYS 58 -4.624 11.236 2.757 486 2HG LYS 58 HG1 LYS 58 -3.268 12.360 2.850 487 1HD LYS 58 HD2 LYS 58 -4.540 14.065 1.740 488 2HD LYS 58 HD1 LYS 58 -5.870 12.942 1.454 489 1HE LYS 58 HE2 LYS 58 -4.899 13.606 4.217 490 2HE LYS 58 HE1 LYS 58 -6.109 14.588 3.392 491 1HZ LYS 58 HZ1 LYS 58 -7.560 12.713 3.260 492 2HZ LYS 58 HZ2 LYS 58 -7.056 12.873 4.864 493 3HZ LYS 58 HZ3 LYS 58 -6.380 11.669 3.882 494 H ASN 59 HN ASN 59 -6.858 10.289 1.127 495 HA ASN 59 HA ASN 59 -8.950 10.751 0.375 496 1HB ASN 59 HB2 ASN 59 -7.384 13.043 -0.727 497 2HB ASN 59 HB1 ASN 59 -9.038 12.822 -1.279 498 1HD2 ASN 59 HD21 ASN 59 -9.780 14.675 -0.332 499 2HD2 ASN 59 HD22 ASN 59 -9.940 14.854 1.385 500 H ILE 60 HN ILE 60 -7.834 8.657 -0.906 501 HA ILE 60 HA ILE 60 -7.750 8.816 -3.713 502 HB ILE 60 HB ILE 60 -6.858 6.875 -2.500 503 1HG1 ILE 60 HG12 ILE 60 -9.085 6.144 -4.416 504 2HG1 ILE 60 HG11 ILE 60 -7.463 6.647 -4.876 505 1HG2 ILE 60 HG21 ILE 60 -8.548 6.690 -0.758 506 2HG2 ILE 60 HG22 ILE 60 -8.350 5.157 -1.605 507 3HG2 ILE 60 HG23 ILE 60 -9.741 6.183 -1.953 508 1HD1 ILE 60 HD11 ILE 60 -7.721 4.244 -5.055 509 2HD1 ILE 60 HD12 ILE 60 -8.176 4.151 -3.354 510 3HD1 ILE 60 HD13 ILE 60 -6.546 4.652 -3.805 511 H MET 61 HN MET 61 -9.273 8.742 -5.264 512 HA MET 61 HA MET 61 -11.298 8.834 -6.286 513 1HB MET 61 HB2 MET 61 -11.983 7.088 -3.936 514 2HB MET 61 HB1 MET 61 -13.221 7.589 -5.079 515 1HG MET 61 HG2 MET 61 -10.699 6.229 -5.958 516 2HG MET 61 HG1 MET 61 -12.123 5.329 -5.447 517 1HE MET 61 HE1 MET 61 -12.493 4.059 -7.630 518 2HE MET 61 HE2 MET 61 -10.980 4.728 -8.239 519 3HE MET 61 HE3 MET 61 -12.431 4.782 -9.238 520 H ASN 62 HN ASN 62 -10.475 10.615 -3.847 521 HA ASN 62 HA ASN 62 -11.220 12.490 -2.830 522 1HB ASN 62 HB2 ASN 62 -12.957 12.369 -5.268 523 2HB ASN 62 HB1 ASN 62 -13.231 13.626 -4.065 524 1HD2 ASN 62 HD21 ASN 62 -11.040 12.378 -6.471 525 2HD2 ASN 62 HD22 ASN 62 -10.007 13.769 -6.530 526 H THR 63 HN THR 63 -12.341 9.892 -2.003 527 HA THR 63 HA THR 63 -14.916 10.774 -0.913 528 HB THR 63 HB THR 63 -14.928 8.577 -2.005 529 HG1 THR 63 HG1 THR 63 -16.239 7.804 -0.516 530 1HG2 THR 63 HG21 THR 63 -12.626 7.900 -1.609 531 2HG2 THR 63 HG22 THR 63 -13.738 6.677 -0.992 532 3HG2 THR 63 HG23 THR 63 -12.939 7.787 0.123 533 H GLY 64 HN GLY 64 -11.677 10.670 -0.110 534 1HA GLY 64 HA2 GLY 64 -10.892 11.700 1.879 535 2HA GLY 64 HA1 GLY 64 -12.369 11.203 2.686 536 H VAL 65 HN VAL 65 -11.231 8.626 0.925 537 HA VAL 65 HA VAL 65 -10.200 7.349 3.315 538 HB VAL 65 HB VAL 65 -10.597 6.260 0.512 539 1HG1 VAL 65 HG11 VAL 65 -8.799 5.069 1.635 540 2HG1 VAL 65 HG12 VAL 65 -10.233 4.049 1.526 541 3HG1 VAL 65 HG13 VAL 65 -9.820 4.827 3.053 542 1HG2 VAL 65 HG21 VAL 65 -12.677 6.800 1.685 543 2HG2 VAL 65 HG22 VAL 65 -12.159 5.810 3.048 544 3HG2 VAL 65 HG23 VAL 65 -12.480 5.059 1.487 545 H ASP 66 HN ASP 66 -8.144 7.039 3.774 546 HA ASP 66 HA ASP 66 -6.139 7.852 1.788 547 1HB ASP 66 HB2 ASP 66 -5.909 7.681 4.805 548 2HB ASP 66 HB1 ASP 66 -4.639 8.221 3.708 549 H ILE 67 HN ILE 67 -5.322 6.159 0.763 550 HA ILE 67 HA ILE 67 -5.377 3.521 1.917 551 HB ILE 67 HB ILE 67 -4.064 4.460 -0.645 552 1HG1 ILE 67 HG12 ILE 67 -6.471 4.839 -0.707 553 2HG1 ILE 67 HG11 ILE 67 -6.063 3.474 -1.742 554 1HG2 ILE 67 HG21 ILE 67 -4.735 1.674 0.297 555 2HG2 ILE 67 HG22 ILE 67 -3.119 2.367 0.177 556 3HG2 ILE 67 HG23 ILE 67 -4.073 2.099 -1.281 557 1HD1 ILE 67 HD11 ILE 67 -7.223 3.313 1.032 558 2HD1 ILE 67 HD12 ILE 67 -6.795 1.935 0.016 559 3HD1 ILE 67 HD13 ILE 67 -8.082 3.034 -0.481 560 H ILE 68 HN ILE 68 -3.998 3.011 3.444 561 HA ILE 68 HA ILE 68 -1.269 4.102 3.289 562 HB ILE 68 HB ILE 68 -1.169 3.818 5.756 563 1HG1 ILE 68 HG12 ILE 68 -4.142 3.308 5.486 564 2HG1 ILE 68 HG11 ILE 68 -2.939 2.126 5.995 565 1HG2 ILE 68 HG21 ILE 68 -1.638 5.988 4.769 566 2HG2 ILE 68 HG22 ILE 68 -2.529 5.789 6.277 567 3HG2 ILE 68 HG23 ILE 68 -3.362 5.616 4.733 568 1HD1 ILE 68 HD11 ILE 68 -3.671 4.649 7.455 569 2HD1 ILE 68 HD12 ILE 68 -2.445 3.488 7.960 570 3HD1 ILE 68 HD13 ILE 68 -4.141 3.010 7.899 571 H CYS 69 HN CYS 69 0.404 2.752 3.341 572 HA CYS 69 HA CYS 69 -0.131 -0.112 3.463 573 1HB CYS 69 HB2 CYS 69 2.621 0.984 3.095 574 2HB CYS 69 HB1 CYS 69 1.858 -0.420 2.348 575 HG CYS 69 HG CYS 69 2.008 2.749 1.290 576 H THR 70 HN THR 70 0.583 -1.413 5.129 577 HA THR 70 HA THR 70 1.590 0.090 7.454 578 HB THR 70 HB THR 70 -0.647 -0.842 7.782 579 HG1 THR 70 HG1 THR 70 1.537 -1.698 9.282 580 1HG2 THR 70 HG21 THR 70 -1.034 -3.256 7.821 581 2HG2 THR 70 HG22 THR 70 0.624 -3.535 7.292 582 3HG2 THR 70 HG23 THR 70 -0.516 -2.718 6.223 583 H LYS 71 HN LYS 71 2.881 -1.708 5.159 584 HA LYS 71 HA LYS 71 4.525 -3.297 6.991 585 1HB LYS 71 HB2 LYS 71 3.509 -4.449 5.010 586 2HB LYS 71 HB1 LYS 71 4.496 -3.427 3.973 587 1HG LYS 71 HG2 LYS 71 6.491 -4.400 4.726 588 2HG LYS 71 HG1 LYS 71 5.694 -5.156 6.103 589 1HD LYS 71 HD2 LYS 71 4.382 -6.532 4.467 590 2HD LYS 71 HD1 LYS 71 5.425 -5.887 3.194 591 1HE LYS 71 HE2 LYS 71 6.168 -8.093 4.042 592 2HE LYS 71 HE1 LYS 71 7.375 -6.825 4.249 593 1HZ LYS 71 HZ1 LYS 71 6.655 -6.595 6.562 594 2HZ LYS 71 HZ2 LYS 71 7.218 -8.158 6.239 595 3HZ LYS 71 HZ3 LYS 71 5.551 -7.866 6.354 596 H ASN 72 HN ASN 72 6.798 -3.130 6.940 597 HA ASN 72 HA ASN 72 7.696 -0.461 6.096 598 1HB ASN 72 HB2 ASN 72 8.946 -2.402 8.061 599 2HB ASN 72 HB1 ASN 72 9.609 -0.828 7.647 600 1HD2 ASN 72 HD21 ASN 72 6.213 -1.668 8.231 601 2HD2 ASN 72 HD22 ASN 72 6.030 -0.673 9.628 602 H LEU 73 HN LEU 73 9.041 -0.254 4.423 603 HA LEU 73 HA LEU 73 10.140 -2.742 3.284 604 1HB LEU 73 HB2 LEU 73 9.462 -0.126 1.946 605 2HB LEU 73 HB1 LEU 73 10.186 -1.498 1.138 606 HG LEU 73 HG LEU 73 7.945 -1.608 0.533 607 1HD1 LEU 73 HD11 LEU 73 7.025 -3.572 1.636 608 2HD1 LEU 73 HD12 LEU 73 8.211 -3.401 2.931 609 3HD1 LEU 73 HD13 LEU 73 8.744 -3.753 1.285 610 1HD2 LEU 73 HD21 LEU 73 7.093 0.076 2.059 611 2HD2 LEU 73 HD22 LEU 73 7.181 -1.070 3.396 612 3HD2 LEU 73 HD23 LEU 73 6.065 -1.357 2.061 613 HA PRO 74 HA PRO 74 14.162 -0.919 4.122 614 1HB PRO 74 HB2 PRO 74 15.231 -3.401 3.045 615 2HB PRO 74 HB1 PRO 74 15.311 -2.783 4.698 616 1HG PRO 74 HG2 PRO 74 13.833 -4.953 3.995 617 2HG PRO 74 HG1 PRO 74 13.401 -3.879 5.337 618 1HD PRO 74 HD2 PRO 74 12.305 -3.969 2.549 619 2HD PRO 74 HD1 PRO 74 11.448 -3.742 4.091 620 H LYS 75 HN LYS 75 15.644 0.074 2.824 621 HA LYS 75 HA LYS 75 15.163 -0.055 -0.054 622 1HB LYS 75 HB2 LYS 75 15.227 2.141 1.228 623 2HB LYS 75 HB1 LYS 75 16.952 1.875 1.435 624 1HG LYS 75 HG2 LYS 75 17.176 1.808 -1.043 625 2HG LYS 75 HG1 LYS 75 15.476 2.256 -1.159 626 1HD LYS 75 HD2 LYS 75 15.988 4.306 0.151 627 2HD LYS 75 HD1 LYS 75 17.697 3.867 0.093 628 1HE LYS 75 HE2 LYS 75 15.903 4.473 -2.255 629 2HE LYS 75 HE1 LYS 75 17.211 5.481 -1.640 630 1HZ LYS 75 HZ1 LYS 75 17.903 4.255 -3.594 631 2HZ LYS 75 HZ2 LYS 75 17.521 2.778 -2.851 632 3HZ LYS 75 HZ3 LYS 75 18.781 3.731 -2.241 633 H ASP 76 HN ASP 76 17.076 0.051 -1.496 634 HA ASP 76 HA ASP 76 19.028 -1.940 -0.917 635 1HB ASP 76 HB2 ASP 76 19.929 -1.409 -3.099 636 2HB ASP 76 HB1 ASP 76 18.170 -1.386 -3.210 637 H SER 77 HN SER 77 21.410 -1.407 -1.304 638 HA SER 77 HA SER 77 22.122 1.058 0.122 639 1HB SER 77 HB2 SER 77 22.819 -1.003 1.275 640 2HB SER 77 HB1 SER 77 23.693 -1.517 -0.166 641 HG SER 77 HG SER 77 24.674 -0.145 1.779 642 H LEU 78 HN LEU 78 23.150 2.595 -0.991 643 HA LEU 78 HA LEU 78 23.654 2.349 -3.755 644 1HB LEU 78 HB2 LEU 78 24.553 4.441 -1.775 645 2HB LEU 78 HB1 LEU 78 24.749 4.578 -3.512 646 HG LEU 78 HG LEU 78 22.093 4.365 -2.092 647 1HD1 LEU 78 HD11 LEU 78 21.830 6.726 -2.650 648 2HD1 LEU 78 HD12 LEU 78 23.462 6.755 -3.319 649 3HD1 LEU 78 HD13 LEU 78 23.221 6.471 -1.595 650 1HD2 LEU 78 HD21 LEU 78 21.169 5.000 -4.275 651 2HD2 LEU 78 HD22 LEU 78 22.025 3.461 -4.345 652 3HD2 LEU 78 HD23 LEU 78 22.786 4.921 -4.975 653 H GLU 79 HN GLU 79 25.466 1.338 -1.106 654 HA GLU 79 HA GLU 79 28.049 1.746 -2.365 655 1HB GLU 79 HB2 GLU 79 27.595 2.004 0.130 656 2HB GLU 79 HB1 GLU 79 27.496 0.250 0.193 657 1HG GLU 79 HG2 GLU 79 29.775 0.043 -0.547 658 2HG GLU 79 HG1 GLU 79 29.892 1.786 -0.781 659 H HIS 80 HN HIS 80 25.717 -0.294 -3.106 660 HA HIS 80 HA HIS 80 26.856 -2.854 -3.089 661 1HB HIS 80 HB2 HIS 80 24.955 -1.524 -5.002 662 2HB HIS 80 HB1 HIS 80 25.548 -3.150 -5.304 663 HD1 HIS 80 HD1 HIS 80 25.375 -4.281 -2.421 664 HD2 HIS 80 HD2 HIS 80 22.391 -2.063 -4.292 665 HE1 HIS 80 HE1 HIS 80 23.236 -4.887 -1.245 666 HE2 HIS 80 HE2 HIS 80 21.427 -3.720 -2.555 667 H HIS 81 HN HIS 81 27.338 -0.122 -5.246 668 HA HIS 81 HA HIS 81 29.602 -1.572 -6.425 669 1HB HIS 81 HB2 HIS 81 29.556 -0.077 -8.295 670 2HB HIS 81 HB1 HIS 81 27.907 -0.616 -8.029 671 HD1 HIS 81 HD1 HIS 81 29.921 2.357 -8.507 672 HD2 HIS 81 HD2 HIS 81 26.272 1.472 -6.709 673 HE1 HIS 81 HE1 HIS 81 28.732 4.555 -8.268 674 HE2 HIS 81 HE2 HIS 81 26.442 3.954 -7.427 675 H HIS 82 HN HIS 82 31.381 -1.245 -5.295 676 HA HIS 82 HA HIS 82 31.781 1.386 -4.052 677 1HB HIS 82 HB2 HIS 82 31.825 -0.770 -2.657 678 2HB HIS 82 HB1 HIS 82 33.362 -1.112 -3.443 679 HD1 HIS 82 HD1 HIS 82 33.736 -0.923 -0.598 680 HD2 HIS 82 HD2 HIS 82 33.532 2.530 -2.913 681 HE1 HIS 82 HE1 HIS 82 34.841 0.877 0.766 682 HE2 HIS 82 HE2 HIS 82 34.508 2.996 -0.560 683 H HIS 83 HN HIS 83 32.818 2.665 -5.396 684 HA HIS 83 HA HIS 83 34.633 1.651 -7.388 685 1HB HIS 83 HB2 HIS 83 33.050 3.602 -7.709 686 2HB HIS 83 HB1 HIS 83 34.097 4.538 -6.649 687 HD1 HIS 83 HD1 HIS 83 33.493 5.171 -9.700 688 HD2 HIS 83 HD2 HIS 83 36.912 3.324 -8.202 689 HE1 HIS 83 HE1 HIS 83 35.292 5.568 -11.413 690 HE2 HIS 83 HE2 HIS 83 37.317 4.343 -10.546 691 H HIS 84 HN HIS 84 36.494 0.863 -6.513 692 HA HIS 84 HA HIS 84 37.873 2.181 -4.392 693 1HB HIS 84 HB2 HIS 84 39.577 0.545 -4.616 694 2HB HIS 84 HB1 HIS 84 38.075 -0.295 -4.971 695 HD1 HIS 84 HD1 HIS 84 41.333 0.690 -6.452 696 HD2 HIS 84 HD2 HIS 84 37.771 -1.059 -7.706 697 HE1 HIS 84 HE1 HIS 84 41.825 -0.316 -8.706 698 HE2 HIS 84 HE2 HIS 84 39.691 -1.471 -9.392 699 H HIS 85 HN HIS 85 39.322 3.772 -4.454 700 HA HIS 85 HA HIS 85 40.969 4.282 -6.736 701 1HB HIS 85 HB2 HIS 85 38.823 5.346 -7.455 702 2HB HIS 85 HB1 HIS 85 38.905 6.394 -6.043 703 HD1 HIS 85 HD1 HIS 85 40.079 8.553 -6.362 704 HD2 HIS 85 HD2 HIS 85 41.117 5.771 -9.272 705 HE1 HIS 85 HE1 HIS 85 41.520 9.798 -8.005 706 HE2 HIS 85 HE2 HIS 85 42.324 8.035 -9.619 Start of MODEL 4 1 1H MET 1 HT1 MET 1 -24.499 -0.048 10.632 2 2H MET 1 HT2 MET 1 -25.403 1.097 9.769 3 3H MET 1 HT3 MET 1 -23.726 1.275 9.913 4 HA MET 1 HA MET 1 -25.021 -1.010 8.552 5 1HB MET 1 HB2 MET 1 -25.083 1.557 7.634 6 2HB MET 1 HB1 MET 1 -23.541 1.020 6.981 7 1HG MET 1 HG2 MET 1 -26.225 -0.266 6.521 8 2HG MET 1 HG1 MET 1 -25.314 0.707 5.369 9 1HE MET 1 HE1 MET 1 -25.126 -2.874 3.814 10 2HE MET 1 HE2 MET 1 -25.540 -1.184 3.532 11 3HE MET 1 HE3 MET 1 -26.487 -2.145 4.667 12 H HIS 2 HN HIS 2 -23.602 -2.637 8.284 13 HA HIS 2 HA HIS 2 -20.930 -2.354 9.255 14 1HB HIS 2 HB2 HIS 2 -22.079 -4.466 9.598 15 2HB HIS 2 HB1 HIS 2 -22.278 -4.680 7.862 16 HD1 HIS 2 HD1 HIS 2 -19.813 -5.102 10.627 17 HD2 HIS 2 HD2 HIS 2 -19.922 -5.467 6.481 18 HE1 HIS 2 HE1 HIS 2 -17.684 -6.281 9.987 19 HE2 HIS 2 HE2 HIS 2 -17.665 -6.271 7.461 20 H LYS 3 HN LYS 3 -19.495 -1.255 8.108 21 HA LYS 3 HA LYS 3 -19.140 -2.026 5.297 22 1HB LYS 3 HB2 LYS 3 -18.155 0.409 6.795 23 2HB LYS 3 HB1 LYS 3 -17.644 -0.010 5.164 24 1HG LYS 3 HG2 LYS 3 -20.114 0.024 4.556 25 2HG LYS 3 HG1 LYS 3 -20.361 0.827 6.110 26 1HD LYS 3 HD2 LYS 3 -18.854 2.611 5.460 27 2HD LYS 3 HD1 LYS 3 -18.501 1.790 3.937 28 1HE LYS 3 HE2 LYS 3 -20.983 1.937 3.450 29 2HE LYS 3 HE1 LYS 3 -21.091 3.035 4.824 30 1HZ LYS 3 HZ1 LYS 3 -19.556 4.526 3.734 31 2HZ LYS 3 HZ2 LYS 3 -20.859 4.199 2.701 32 3HZ LYS 3 HZ3 LYS 3 -19.364 3.442 2.440 33 H ASP 4 HN ASP 4 -16.878 -2.299 4.605 34 HA ASP 4 HA ASP 4 -15.271 -3.491 6.772 35 1HB ASP 4 HB2 ASP 4 -16.436 -4.779 4.511 36 2HB ASP 4 HB1 ASP 4 -14.691 -4.762 4.280 37 H ILE 5 HN ILE 5 -13.108 -3.018 6.755 38 HA ILE 5 HA ILE 5 -12.338 -0.795 5.123 39 HB ILE 5 HB ILE 5 -10.844 -2.414 7.174 40 1HG1 ILE 5 HG12 ILE 5 -12.135 0.292 7.043 41 2HG1 ILE 5 HG11 ILE 5 -12.353 -0.981 8.238 42 1HG2 ILE 5 HG21 ILE 5 -9.229 -1.741 5.485 43 2HG2 ILE 5 HG22 ILE 5 -8.998 -0.809 6.965 44 3HG2 ILE 5 HG23 ILE 5 -9.803 -0.076 5.577 45 1HD1 ILE 5 HD11 ILE 5 -10.109 -0.522 9.103 46 2HD1 ILE 5 HD12 ILE 5 -11.163 0.891 9.178 47 3HD1 ILE 5 HD13 ILE 5 -9.935 0.772 7.916 48 H PHE 6 HN PHE 6 -11.397 -0.818 3.228 49 HA PHE 6 HA PHE 6 -10.850 -3.203 1.832 50 1HB PHE 6 HB2 PHE 6 -11.411 -1.052 0.722 51 2HB PHE 6 HB1 PHE 6 -9.849 -0.410 1.216 52 HD1 PHE 6 HD1 PHE 6 -11.474 -3.017 -0.845 53 HD2 PHE 6 HD2 PHE 6 -7.919 -0.817 -0.054 54 HE1 PHE 6 HE1 PHE 6 -10.460 -3.924 -2.895 55 HE2 PHE 6 HE2 PHE 6 -6.900 -1.720 -2.101 56 HZ PHE 6 HZ PHE 6 -8.169 -3.274 -3.525 57 H THR 7 HN THR 7 -9.226 -4.540 2.166 58 HA THR 7 HA THR 7 -6.580 -3.442 2.798 59 HB THR 7 HB THR 7 -7.685 -5.950 4.087 60 HG1 THR 7 HG1 THR 7 -8.246 -3.393 4.660 61 1HG2 THR 7 HG21 THR 7 -5.778 -5.669 5.610 62 2HG2 THR 7 HG22 THR 7 -5.268 -4.243 4.708 63 3HG2 THR 7 HG23 THR 7 -5.244 -5.829 3.937 64 H SER 8 HN SER 8 -5.152 -4.136 1.306 65 HA SER 8 HA SER 8 -5.377 -6.809 0.188 66 1HB SER 8 HB2 SER 8 -5.526 -4.343 -1.569 67 2HB SER 8 HB1 SER 8 -5.393 -6.004 -2.146 68 HG SER 8 HG SER 8 -7.425 -5.968 -0.486 69 H VAL 9 HN VAL 9 -3.571 -6.637 -1.853 70 HA VAL 9 HA VAL 9 -1.207 -5.348 -0.693 71 HB VAL 9 HB VAL 9 -1.077 -7.690 -0.041 72 1HG1 VAL 9 HG11 VAL 9 -2.495 -8.678 -1.750 73 2HG1 VAL 9 HG12 VAL 9 -0.928 -9.488 -1.695 74 3HG1 VAL 9 HG13 VAL 9 -1.277 -8.330 -2.979 75 1HG2 VAL 9 HG21 VAL 9 1.087 -8.264 -1.037 76 2HG2 VAL 9 HG22 VAL 9 1.003 -6.563 -0.578 77 3HG2 VAL 9 HG23 VAL 9 0.839 -7.029 -2.271 78 H VAL 10 HN VAL 10 -0.066 -4.200 -2.138 79 HA VAL 10 HA VAL 10 -0.770 -4.559 -4.981 80 HB VAL 10 HB VAL 10 -1.556 -2.424 -3.943 81 1HG1 VAL 10 HG11 VAL 10 0.260 -2.028 -2.391 82 2HG1 VAL 10 HG12 VAL 10 0.084 -0.656 -3.487 83 3HG1 VAL 10 HG13 VAL 10 1.388 -1.818 -3.730 84 1HG2 VAL 10 HG21 VAL 10 -0.765 -0.963 -5.753 85 2HG2 VAL 10 HG22 VAL 10 -1.231 -2.561 -6.337 86 3HG2 VAL 10 HG23 VAL 10 0.475 -2.152 -6.155 87 H ARG 11 HN ARG 11 0.880 -4.210 -6.533 88 HA ARG 11 HA ARG 11 3.451 -5.182 -5.740 89 1HB ARG 11 HB2 ARG 11 2.382 -4.210 -8.395 90 2HB ARG 11 HB1 ARG 11 3.992 -4.883 -8.176 91 1HG ARG 11 HG2 ARG 11 3.096 -7.010 -7.556 92 2HG ARG 11 HG1 ARG 11 1.456 -6.363 -7.513 93 1HD ARG 11 HD2 ARG 11 1.480 -6.007 -9.892 94 2HD ARG 11 HD1 ARG 11 3.184 -6.455 -9.983 95 HE ARG 11 HE ARG 11 2.480 -8.726 -9.306 96 1HH1 ARG 11 HH11 ARG 11 0.089 -6.567 -10.714 97 2HH1 ARG 11 HH12 ARG 11 -0.906 -7.875 -11.291 98 1HH2 ARG 11 HH21 ARG 11 1.165 -10.414 -10.086 99 2HH2 ARG 11 HH22 ARG 11 -0.306 -10.039 -10.936 100 H VAL 12 HN VAL 12 5.231 -4.071 -5.289 101 HA VAL 12 HA VAL 12 5.045 -1.174 -5.150 102 HB VAL 12 HB VAL 12 7.376 -2.915 -4.323 103 1HG1 VAL 12 HG11 VAL 12 7.926 -1.070 -2.839 104 2HG1 VAL 12 HG12 VAL 12 6.521 -0.178 -3.412 105 3HG1 VAL 12 HG13 VAL 12 7.853 -0.525 -4.514 106 1HG2 VAL 12 HG21 VAL 12 6.451 -2.896 -2.061 107 2HG2 VAL 12 HG22 VAL 12 5.370 -3.708 -3.194 108 3HG2 VAL 12 HG23 VAL 12 5.012 -2.067 -2.656 109 H ARG 13 HN ARG 13 5.855 0.141 -6.647 110 HA ARG 13 HA ARG 13 7.899 -0.930 -8.476 111 1HB ARG 13 HB2 ARG 13 5.994 -0.308 -9.752 112 2HB ARG 13 HB1 ARG 13 5.805 1.203 -8.870 113 1HG ARG 13 HG2 ARG 13 7.819 2.082 -9.875 114 2HG ARG 13 HG1 ARG 13 8.110 0.549 -10.694 115 1HD ARG 13 HD2 ARG 13 6.357 0.865 -12.179 116 2HD ARG 13 HD1 ARG 13 5.543 2.023 -11.126 117 HE ARG 13 HE ARG 13 7.469 3.547 -11.661 118 1HH1 ARG 13 HH11 ARG 13 6.446 1.050 -13.919 119 2HH1 ARG 13 HH12 ARG 13 7.017 1.914 -15.317 120 1HH2 ARG 13 HH21 ARG 13 8.214 4.666 -13.487 121 2HH2 ARG 13 HH22 ARG 13 8.049 3.962 -15.069 122 H GLY 14 HN GLY 14 9.883 -0.209 -8.213 123 1HA GLY 14 HA2 GLY 14 10.963 2.177 -8.386 124 2HA GLY 14 HA1 GLY 14 10.329 2.289 -6.750 125 H SER 15 HN SER 15 12.825 2.649 -6.619 126 HA SER 15 HA SER 15 14.440 0.304 -6.561 127 1HB SER 15 HB2 SER 15 14.874 2.950 -5.147 128 2HB SER 15 HB1 SER 15 16.100 1.722 -5.461 129 HG SER 15 HG SER 15 14.727 2.553 -7.708 130 H LYS 16 HN LYS 16 13.575 -1.285 -5.304 131 HA LYS 16 HA LYS 16 13.340 -0.739 -2.441 132 1HB LYS 16 HB2 LYS 16 11.224 -2.136 -2.413 133 2HB LYS 16 HB1 LYS 16 11.075 -0.533 -3.110 134 1HG LYS 16 HG2 LYS 16 9.818 -2.095 -4.429 135 2HG LYS 16 HG1 LYS 16 11.203 -1.538 -5.368 136 1HD LYS 16 HD2 LYS 16 12.392 -3.591 -4.891 137 2HD LYS 16 HD1 LYS 16 11.091 -4.139 -3.838 138 1HE LYS 16 HE2 LYS 16 10.934 -3.707 -6.818 139 2HE LYS 16 HE1 LYS 16 10.990 -5.257 -5.982 140 1HZ LYS 16 HZ1 LYS 16 8.802 -3.260 -5.916 141 2HZ LYS 16 HZ2 LYS 16 8.879 -4.590 -4.875 142 3HZ LYS 16 HZ3 LYS 16 8.749 -4.828 -6.549 143 H LYS 17 HN LYS 17 12.923 -2.885 -1.243 144 HA LYS 17 HA LYS 17 14.485 -5.033 -2.502 145 1HB LYS 17 HB2 LYS 17 15.424 -4.180 -0.398 146 2HB LYS 17 HB1 LYS 17 13.911 -4.526 0.427 147 1HG LYS 17 HG2 LYS 17 15.487 -6.244 0.947 148 2HG LYS 17 HG1 LYS 17 14.239 -6.928 -0.095 149 1HD LYS 17 HD2 LYS 17 15.774 -6.546 -2.035 150 2HD LYS 17 HD1 LYS 17 17.028 -6.097 -0.876 151 1HE LYS 17 HE2 LYS 17 16.756 -8.317 0.196 152 2HE LYS 17 HE1 LYS 17 15.611 -8.751 -1.072 153 1HZ LYS 17 HZ1 LYS 17 17.458 -8.247 -2.683 154 2HZ LYS 17 HZ2 LYS 17 17.679 -9.623 -1.718 155 3HZ LYS 17 HZ3 LYS 17 18.506 -8.192 -1.349 156 H TYR 18 HN TYR 18 11.433 -4.193 -1.043 157 HA TYR 18 HA TYR 18 10.522 -6.968 -1.104 158 1HB TYR 18 HB2 TYR 18 9.952 -4.709 0.545 159 2HB TYR 18 HB1 TYR 18 8.457 -5.215 -0.237 160 HD1 TYR 18 HD2 TYR 18 11.359 -6.659 1.617 161 HD2 TYR 18 HD1 TYR 18 7.202 -6.884 0.751 162 HE1 TYR 18 HE2 TYR 18 11.120 -8.467 3.266 163 HE2 TYR 18 HE1 TYR 18 6.950 -8.695 2.397 164 HH TYR 18 HH TYR 18 8.434 -10.453 3.447 165 H ASN 19 HN ASN 19 8.875 -7.702 -2.384 166 HA ASN 19 HA ASN 19 8.623 -6.269 -4.858 167 1HB ASN 19 HB2 ASN 19 8.954 -8.714 -4.798 168 2HB ASN 19 HB1 ASN 19 7.377 -8.892 -4.034 169 1HD2 ASN 19 HD21 ASN 19 6.505 -10.101 -5.665 170 2HD2 ASN 19 HD22 ASN 19 6.148 -9.458 -7.229 171 H VAL 20 HN VAL 20 6.425 -7.252 -2.299 172 HA VAL 20 HA VAL 20 4.373 -5.507 -3.487 173 HB VAL 20 HB VAL 20 2.640 -7.121 -2.690 174 1HG1 VAL 20 HG11 VAL 20 2.921 -8.699 -4.547 175 2HG1 VAL 20 HG12 VAL 20 4.596 -8.177 -4.729 176 3HG1 VAL 20 HG13 VAL 20 3.281 -7.041 -5.034 177 1HG2 VAL 20 HG21 VAL 20 5.003 -8.965 -2.329 178 2HG2 VAL 20 HG22 VAL 20 3.305 -9.429 -2.221 179 3HG2 VAL 20 HG23 VAL 20 3.991 -8.315 -1.039 180 H VAL 21 HN VAL 21 3.016 -4.415 -2.064 181 HA VAL 21 HA VAL 21 3.656 -4.697 0.795 182 HB VAL 21 HB VAL 21 4.774 -2.693 -0.042 183 1HG1 VAL 21 HG11 VAL 21 3.498 -0.767 -0.859 184 2HG1 VAL 21 HG12 VAL 21 2.028 -1.743 -0.845 185 3HG1 VAL 21 HG13 VAL 21 3.353 -2.157 -1.934 186 1HG2 VAL 21 HG21 VAL 21 3.830 -1.064 1.532 187 2HG2 VAL 21 HG22 VAL 21 3.965 -2.673 2.238 188 3HG2 VAL 21 HG23 VAL 21 2.396 -2.076 1.701 189 HA PRO 22 HA PRO 22 -0.825 -5.139 1.195 190 1HB PRO 22 HB2 PRO 22 -0.022 -4.881 4.038 191 2HB PRO 22 HB1 PRO 22 -1.021 -6.109 3.258 192 1HG PRO 22 HG2 PRO 22 1.481 -6.643 4.023 193 2HG PRO 22 HG1 PRO 22 0.805 -7.325 2.533 194 1HD PRO 22 HD2 PRO 22 2.722 -5.067 2.886 195 2HD PRO 22 HD1 PRO 22 2.666 -6.308 1.622 196 H VAL 23 HN VAL 23 -2.160 -3.503 1.019 197 HA VAL 23 HA VAL 23 -1.614 -1.000 2.484 198 HB VAL 23 HB VAL 23 -2.796 0.202 0.681 199 1HG1 VAL 23 HG11 VAL 23 -1.055 0.008 -1.038 200 2HG1 VAL 23 HG12 VAL 23 -0.495 -1.489 -0.292 201 3HG1 VAL 23 HG13 VAL 23 -0.373 0.036 0.587 202 1HG2 VAL 23 HG21 VAL 23 -4.225 -1.614 -0.106 203 2HG2 VAL 23 HG22 VAL 23 -2.813 -2.466 -0.729 204 3HG2 VAL 23 HG23 VAL 23 -3.295 -0.925 -1.437 205 H LYS 24 HN LYS 24 -3.510 0.180 3.196 206 HA LYS 24 HA LYS 24 -6.004 -1.340 3.224 207 1HB LYS 24 HB2 LYS 24 -6.248 -1.181 5.635 208 2HB LYS 24 HB1 LYS 24 -4.768 -2.043 5.242 209 1HG LYS 24 HG2 LYS 24 -3.467 -0.022 5.688 210 2HG LYS 24 HG1 LYS 24 -4.952 0.847 6.076 211 1HD LYS 24 HD2 LYS 24 -3.815 -1.529 7.553 212 2HD LYS 24 HD1 LYS 24 -3.847 0.144 8.115 213 1HE LYS 24 HE2 LYS 24 -6.309 0.085 8.082 214 2HE LYS 24 HE1 LYS 24 -6.249 -1.603 7.575 215 1HZ LYS 24 HZ1 LYS 24 -4.899 -1.961 9.686 216 2HZ LYS 24 HZ2 LYS 24 -6.561 -1.686 9.861 217 3HZ LYS 24 HZ3 LYS 24 -5.461 -0.435 10.177 218 H SER 25 HN SER 25 -7.693 -0.002 4.523 219 HA SER 25 HA SER 25 -7.464 2.811 3.684 220 1HB SER 25 HB2 SER 25 -9.307 1.618 2.624 221 2HB SER 25 HB1 SER 25 -9.899 1.083 4.196 222 HG SER 25 HG SER 25 -11.069 2.831 4.055 223 H ASN 26 HN ASN 26 -8.024 4.461 5.139 224 HA ASN 26 HA ASN 26 -7.636 3.723 7.909 225 1HB ASN 26 HB2 ASN 26 -7.298 6.014 8.371 226 2HB ASN 26 HB1 ASN 26 -6.541 5.732 6.812 227 1HD2 ASN 26 HD21 ASN 26 -7.463 8.187 8.018 228 2HD2 ASN 26 HD22 ASN 26 -8.591 8.883 6.898 229 H LYS 27 HN LYS 27 -10.260 4.050 5.886 230 HA LYS 27 HA LYS 27 -12.039 4.022 8.210 231 1HB LYS 27 HB2 LYS 27 -12.370 5.791 5.788 232 2HB LYS 27 HB1 LYS 27 -13.712 5.378 6.844 233 1HG LYS 27 HG2 LYS 27 -12.506 6.374 8.738 234 2HG LYS 27 HG1 LYS 27 -11.201 6.834 7.643 235 1HD LYS 27 HD2 LYS 27 -14.069 7.724 7.363 236 2HD LYS 27 HD1 LYS 27 -12.799 8.677 8.133 237 1HE LYS 27 HE2 LYS 27 -12.786 7.720 5.272 238 2HE LYS 27 HE1 LYS 27 -13.190 9.353 5.803 239 1HZ LYS 27 HZ1 LYS 27 -10.943 9.371 5.107 240 2HZ LYS 27 HZ2 LYS 27 -10.564 7.987 6.007 241 3HZ LYS 27 HZ3 LYS 27 -10.913 9.444 6.801 242 HA PRO 28 HA PRO 28 -13.689 0.449 6.257 243 1HB PRO 28 HB2 PRO 28 -16.311 1.178 7.392 244 2HB PRO 28 HB1 PRO 28 -15.312 -0.247 7.695 245 1HG PRO 28 HG2 PRO 28 -15.603 1.689 9.531 246 2HG PRO 28 HG1 PRO 28 -14.082 0.800 9.340 247 1HD PRO 28 HD2 PRO 28 -14.803 3.548 8.403 248 2HD PRO 28 HD1 PRO 28 -13.274 2.952 9.085 249 H VAL 29 HN VAL 29 -14.385 0.108 4.264 250 HA VAL 29 HA VAL 29 -16.215 2.085 3.059 251 HB VAL 29 HB VAL 29 -15.173 1.469 0.863 252 1HG1 VAL 29 HG11 VAL 29 -13.335 2.659 2.934 253 2HG1 VAL 29 HG12 VAL 29 -14.556 3.524 1.999 254 3HG1 VAL 29 HG13 VAL 29 -13.155 2.824 1.187 255 1HG2 VAL 29 HG21 VAL 29 -13.128 0.113 2.614 256 2HG2 VAL 29 HG22 VAL 29 -12.966 0.403 0.881 257 3HG2 VAL 29 HG23 VAL 29 -14.223 -0.681 1.481 258 H GLU 30 HN GLU 30 -17.307 1.102 1.019 259 HA GLU 30 HA GLU 30 -18.776 -1.198 1.752 260 1HB GLU 30 HB2 GLU 30 -18.456 0.076 -0.975 261 2HB GLU 30 HB1 GLU 30 -19.651 -1.145 -0.565 262 1HG GLU 30 HG2 GLU 30 -20.882 0.784 -0.428 263 2HG GLU 30 HG1 GLU 30 -20.393 0.556 1.249 264 H ILE 31 HN ILE 31 -18.251 -3.273 1.596 265 HA ILE 31 HA ILE 31 -15.701 -4.104 0.759 266 HB ILE 31 HB ILE 31 -16.992 -5.299 2.466 267 1HG1 ILE 31 HG12 ILE 31 -16.367 -7.054 0.079 268 2HG1 ILE 31 HG11 ILE 31 -15.183 -6.463 1.240 269 1HG2 ILE 31 HG21 ILE 31 -18.837 -6.790 1.828 270 2HG2 ILE 31 HG22 ILE 31 -18.760 -6.165 0.181 271 3HG2 ILE 31 HG23 ILE 31 -19.212 -5.097 1.509 272 1HD1 ILE 31 HD11 ILE 31 -17.482 -8.309 1.839 273 2HD1 ILE 31 HD12 ILE 31 -16.317 -7.706 3.015 274 3HD1 ILE 31 HD13 ILE 31 -15.783 -8.763 1.707 275 H SER 32 HN SER 32 -18.664 -3.719 -0.958 276 HA SER 32 HA SER 32 -17.931 -5.457 -3.139 277 1HB SER 32 HB2 SER 32 -20.067 -4.204 -4.104 278 2HB SER 32 HB1 SER 32 -20.214 -5.481 -2.895 279 HG SER 32 HG SER 32 -21.363 -3.880 -2.011 280 H LYS 33 HN LYS 33 -16.837 -2.508 -2.233 281 HA LYS 33 HA LYS 33 -16.627 -1.450 -4.950 282 1HB LYS 33 HB2 LYS 33 -16.144 -0.328 -2.232 283 2HB LYS 33 HB1 LYS 33 -15.228 0.341 -3.575 284 1HG LYS 33 HG2 LYS 33 -17.386 0.763 -4.743 285 2HG LYS 33 HG1 LYS 33 -18.219 0.257 -3.271 286 1HD LYS 33 HD2 LYS 33 -17.276 2.061 -2.027 287 2HD LYS 33 HD1 LYS 33 -16.178 2.473 -3.343 288 1HE LYS 33 HE2 LYS 33 -18.024 4.040 -3.263 289 2HE LYS 33 HE1 LYS 33 -18.097 3.083 -4.741 290 1HZ LYS 33 HZ1 LYS 33 -19.768 1.669 -3.670 291 2HZ LYS 33 HZ2 LYS 33 -20.278 3.281 -3.772 292 3HZ LYS 33 HZ3 LYS 33 -19.723 2.661 -2.289 293 H TRP 34 HN TRP 34 -15.136 -3.802 -3.418 294 HA TRP 34 HA TRP 34 -12.407 -3.200 -3.433 295 1HB TRP 34 HB2 TRP 34 -12.004 -5.558 -3.346 296 2HB TRP 34 HB1 TRP 34 -13.459 -5.240 -2.412 297 HD1 TRP 34 HD1 TRP 34 -15.842 -5.930 -3.661 298 HE1 TRP 34 HE1 TRP 34 -16.316 -7.864 -5.294 299 HE3 TRP 34 HE3 TRP 34 -11.050 -6.946 -5.137 300 HZ2 TRP 34 HZ2 TRP 34 -14.853 -9.592 -6.979 301 HZ3 TRP 34 HZ3 TRP 34 -10.677 -8.756 -6.759 302 HH2 TRP 34 HH2 TRP 34 -12.538 -10.049 -7.660 303 H ILE 35 HN ILE 35 -14.583 -4.057 -6.012 304 HA ILE 35 HA ILE 35 -12.658 -4.670 -7.987 305 HB ILE 35 HB ILE 35 -14.530 -4.007 -9.603 306 1HG1 ILE 35 HG12 ILE 35 -16.099 -3.919 -7.013 307 2HG1 ILE 35 HG11 ILE 35 -15.727 -2.522 -8.016 308 1HG2 ILE 35 HG21 ILE 35 -14.995 -6.162 -7.552 309 2HG2 ILE 35 HG22 ILE 35 -14.035 -6.297 -9.026 310 3HG2 ILE 35 HG23 ILE 35 -15.779 -6.062 -9.128 311 1HD1 ILE 35 HD11 ILE 35 -17.422 -4.879 -8.812 312 2HD1 ILE 35 HD12 ILE 35 -17.033 -3.501 -9.840 313 3HD1 ILE 35 HD13 ILE 35 -17.997 -3.268 -8.382 314 H ASP 36 HN ASP 36 -14.145 -1.647 -6.955 315 HA ASP 36 HA ASP 36 -13.087 -0.130 -9.154 316 1HB ASP 36 HB2 ASP 36 -14.288 0.819 -6.534 317 2HB ASP 36 HB1 ASP 36 -13.960 1.831 -7.937 318 H PHE 37 HN PHE 37 -12.237 -0.609 -5.749 319 HA PHE 37 HA PHE 37 -10.089 1.228 -5.724 320 1HB PHE 37 HB2 PHE 37 -10.807 -1.121 -3.996 321 2HB PHE 37 HB1 PHE 37 -9.288 -0.262 -3.762 322 HD1 PHE 37 HD2 PHE 37 -9.299 2.100 -3.071 323 HD2 PHE 37 HD1 PHE 37 -12.885 -0.181 -3.309 324 HE1 PHE 37 HE2 PHE 37 -10.450 3.773 -1.684 325 HE2 PHE 37 HE1 PHE 37 -14.042 1.491 -1.925 326 HZ PHE 37 HZ PHE 37 -12.826 3.471 -1.108 327 H SER 38 HN SER 38 -10.112 -2.321 -6.124 328 HA SER 38 HA SER 38 -7.356 -2.558 -6.653 329 1HB SER 38 HB2 SER 38 -9.587 -4.346 -7.649 330 2HB SER 38 HB1 SER 38 -7.885 -4.780 -7.491 331 HG SER 38 HG SER 38 -9.858 -4.578 -5.563 332 H ASN 39 HN ASN 39 -10.044 -1.617 -8.615 333 HA ASN 39 HA ASN 39 -9.014 -1.969 -11.192 334 1HB ASN 39 HB2 ASN 39 -11.357 -1.197 -10.415 335 2HB ASN 39 HB1 ASN 39 -10.658 0.415 -10.360 336 1HD2 ASN 39 HD21 ASN 39 -11.824 -2.128 -12.323 337 2HD2 ASN 39 HD22 ASN 39 -11.738 -1.293 -13.836 338 H VAL 40 HN VAL 40 -8.867 0.830 -9.020 339 HA VAL 40 HA VAL 40 -7.148 2.362 -10.690 340 HB VAL 40 HB VAL 40 -7.655 2.647 -7.719 341 1HG1 VAL 40 HG11 VAL 40 -5.660 3.848 -8.414 342 2HG1 VAL 40 HG12 VAL 40 -6.965 4.979 -8.043 343 3HG1 VAL 40 HG13 VAL 40 -6.560 4.618 -9.722 344 1HG2 VAL 40 HG21 VAL 40 -9.298 4.344 -8.368 345 2HG2 VAL 40 HG22 VAL 40 -9.721 2.750 -8.993 346 3HG2 VAL 40 HG23 VAL 40 -9.016 3.959 -10.067 347 H LEU 41 HN LEU 41 -6.630 0.227 -7.912 348 HA LEU 41 HA LEU 41 -3.904 0.756 -7.526 349 1HB LEU 41 HB2 LEU 41 -5.478 -1.760 -6.985 350 2HB LEU 41 HB1 LEU 41 -3.834 -1.494 -6.440 351 HG LEU 41 HG LEU 41 -6.245 0.124 -5.612 352 1HD1 LEU 41 HD11 LEU 41 -5.904 -0.909 -3.432 353 2HD1 LEU 41 HD12 LEU 41 -4.574 -1.868 -4.085 354 3HD1 LEU 41 HD13 LEU 41 -6.219 -2.128 -4.668 355 1HD2 LEU 41 HD21 LEU 41 -4.724 1.187 -4.021 356 2HD2 LEU 41 HD22 LEU 41 -4.216 1.480 -5.685 357 3HD2 LEU 41 HD23 LEU 41 -3.372 0.283 -4.702 358 H SER 42 HN SER 42 -5.549 -1.360 -9.787 359 HA SER 42 HA SER 42 -3.315 -2.858 -10.629 360 1HB SER 42 HB2 SER 42 -5.649 -3.501 -11.121 361 2HB SER 42 HB1 SER 42 -5.800 -2.111 -12.194 362 HG SER 42 HG SER 42 -3.735 -3.261 -13.128 363 H ARG 43 HN ARG 43 -4.246 0.396 -11.211 364 HA ARG 43 HA ARG 43 -2.316 0.600 -13.426 365 1HB ARG 43 HB2 ARG 43 -4.744 1.338 -13.768 366 2HB ARG 43 HB1 ARG 43 -4.391 2.659 -12.663 367 1HG ARG 43 HG2 ARG 43 -4.200 3.410 -14.952 368 2HG ARG 43 HG1 ARG 43 -2.614 3.429 -14.176 369 1HD ARG 43 HD2 ARG 43 -2.159 1.208 -15.189 370 2HD ARG 43 HD1 ARG 43 -3.687 1.333 -16.055 371 HE ARG 43 HE ARG 43 -2.045 3.599 -16.558 372 1HH1 ARG 43 HH11 ARG 43 -2.485 0.219 -17.365 373 2HH1 ARG 43 HH12 ARG 43 -1.647 0.333 -18.888 374 1HH2 ARG 43 HH21 ARG 43 -0.954 3.775 -18.572 375 2HH2 ARG 43 HH22 ARG 43 -0.805 2.369 -19.587 376 H LEU 44 HN LEU 44 -2.394 0.860 -10.220 377 HA LEU 44 HA LEU 44 -0.875 3.371 -10.087 378 1HB LEU 44 HB2 LEU 44 -2.935 3.258 -8.719 379 2HB LEU 44 HB1 LEU 44 -2.275 1.873 -7.871 380 HG LEU 44 HG LEU 44 -0.411 3.318 -7.066 381 1HD1 LEU 44 HD11 LEU 44 -0.469 5.011 -8.810 382 2HD1 LEU 44 HD12 LEU 44 -0.671 5.745 -7.219 383 3HD1 LEU 44 HD13 LEU 44 -2.068 5.528 -8.273 384 1HD2 LEU 44 HD21 LEU 44 -1.751 4.487 -5.392 385 2HD2 LEU 44 HD22 LEU 44 -2.352 2.851 -5.667 386 3HD2 LEU 44 HD23 LEU 44 -3.199 4.232 -6.367 387 H TYR 45 HN TYR 45 1.123 2.562 -10.645 388 HA TYR 45 HA TYR 45 2.253 0.497 -8.910 389 1HB TYR 45 HB2 TYR 45 3.203 1.674 -11.521 390 2HB TYR 45 HB1 TYR 45 4.189 0.593 -10.543 391 HD1 TYR 45 HD2 TYR 45 3.433 -1.746 -10.152 392 HD2 TYR 45 HD1 TYR 45 1.451 0.833 -12.897 393 HE1 TYR 45 HE2 TYR 45 2.357 -3.692 -11.197 394 HE2 TYR 45 HE1 TYR 45 0.364 -1.108 -13.944 395 HH TYR 45 HH TYR 45 0.834 -3.586 -14.168 396 H VAL 46 HN VAL 46 2.742 1.487 -7.057 397 HA VAL 46 HA VAL 46 4.805 3.558 -7.111 398 HB VAL 46 HB VAL 46 3.606 4.799 -5.272 399 1HG1 VAL 46 HG11 VAL 46 2.199 4.707 -7.938 400 2HG1 VAL 46 HG12 VAL 46 3.630 5.661 -7.550 401 3HG1 VAL 46 HG13 VAL 46 2.094 6.017 -6.760 402 1HG2 VAL 46 HG21 VAL 46 2.066 3.025 -4.601 403 2HG2 VAL 46 HG22 VAL 46 1.252 3.132 -6.163 404 3HG2 VAL 46 HG23 VAL 46 1.188 4.491 -5.041 405 H GLY 47 HN GLY 47 4.691 4.008 -4.284 406 1HA GLY 47 HA2 GLY 47 4.411 2.290 -2.390 407 2HA GLY 47 HA1 GLY 47 5.586 1.382 -3.324 408 H VAL 48 HN VAL 48 7.706 2.187 -3.534 409 HA VAL 48 HA VAL 48 9.646 3.051 -2.751 410 HB VAL 48 HB VAL 48 7.927 5.254 -1.585 411 1HG1 VAL 48 HG11 VAL 48 10.087 5.103 -0.464 412 2HG1 VAL 48 HG12 VAL 48 10.003 6.546 -1.473 413 3HG1 VAL 48 HG13 VAL 48 10.909 5.138 -2.023 414 1HG2 VAL 48 HG21 VAL 48 7.738 5.134 -4.008 415 2HG2 VAL 48 HG22 VAL 48 9.494 5.132 -4.161 416 3HG2 VAL 48 HG23 VAL 48 8.666 6.556 -3.532 417 HA PRO 49 HA PRO 49 9.825 0.616 0.980 418 1HB PRO 49 HB2 PRO 49 12.426 2.084 1.077 419 2HB PRO 49 HB1 PRO 49 12.091 0.369 1.338 420 1HG PRO 49 HG2 PRO 49 13.110 1.244 -0.970 421 2HG PRO 49 HG1 PRO 49 11.940 -0.086 -0.917 422 1HD PRO 49 HD2 PRO 49 11.586 2.700 -1.842 423 2HD PRO 49 HD1 PRO 49 10.700 1.234 -2.300 424 H THR 50 HN THR 50 8.470 1.429 2.463 425 HA THR 50 HA THR 50 9.334 3.764 4.025 426 HB THR 50 HB THR 50 6.708 4.041 4.233 427 HG1 THR 50 HG1 THR 50 6.888 3.164 1.546 428 1HG2 THR 50 HG21 THR 50 8.238 5.770 3.418 429 2HG2 THR 50 HG22 THR 50 6.787 5.699 2.420 430 3HG2 THR 50 HG23 THR 50 8.291 4.987 1.839 431 H LYS 51 HN LYS 51 7.207 3.761 5.827 432 HA LYS 51 HA LYS 51 7.452 1.126 7.115 433 1HB LYS 51 HB2 LYS 51 7.413 3.848 8.428 434 2HB LYS 51 HB1 LYS 51 7.345 2.319 9.297 435 1HG LYS 51 HG2 LYS 51 9.539 1.721 8.315 436 2HG LYS 51 HG1 LYS 51 9.612 3.328 7.590 437 1HD LYS 51 HD2 LYS 51 10.880 3.294 9.654 438 2HD LYS 51 HD1 LYS 51 9.456 4.319 9.843 439 1HE LYS 51 HE2 LYS 51 8.291 2.520 10.992 440 2HE LYS 51 HE1 LYS 51 9.676 1.453 10.760 441 1HZ LYS 51 HZ1 LYS 51 9.648 2.394 12.979 442 2HZ LYS 51 HZ2 LYS 51 9.672 3.968 12.341 443 3HZ LYS 51 HZ3 LYS 51 11.005 2.938 12.119 444 H SER 52 HN SER 52 5.710 1.295 9.125 445 HA SER 52 HA SER 52 3.258 0.863 7.801 446 1HB SER 52 HB2 SER 52 2.864 1.161 10.621 447 2HB SER 52 HB1 SER 52 2.889 -0.319 9.661 448 HG SER 52 HG SER 52 4.995 0.952 11.050 449 H GLY 53 HN GLY 53 1.618 2.181 7.362 450 1HA GLY 53 HA2 GLY 53 0.018 3.821 7.922 451 2HA GLY 53 HA1 GLY 53 1.162 4.518 9.060 452 H ASN 54 HN ASN 54 2.273 3.717 5.878 453 HA ASN 54 HA ASN 54 2.752 6.543 5.397 454 1HB ASN 54 HB2 ASN 54 4.123 5.873 3.526 455 2HB ASN 54 HB1 ASN 54 4.536 4.876 4.912 456 1HD2 ASN 54 HD21 ASN 54 4.174 2.695 4.839 457 2HD2 ASN 54 HD22 ASN 54 3.685 1.875 3.397 458 H VAL 55 HN VAL 55 1.725 7.798 3.959 459 HA VAL 55 HA VAL 55 -0.721 6.719 2.802 460 HB VAL 55 HB VAL 55 0.266 9.578 2.919 461 1HG1 VAL 55 HG11 VAL 55 -1.273 9.230 1.074 462 2HG1 VAL 55 HG12 VAL 55 -2.046 10.175 2.347 463 3HG1 VAL 55 HG13 VAL 55 -2.433 8.464 2.162 464 1HG2 VAL 55 HG21 VAL 55 -1.781 8.165 4.621 465 2HG2 VAL 55 HG22 VAL 55 -1.375 9.880 4.700 466 3HG2 VAL 55 HG23 VAL 55 -0.171 8.668 5.139 467 H VAL 56 HN VAL 56 -0.725 6.029 0.748 468 HA VAL 56 HA VAL 56 1.277 7.076 -1.094 469 HB VAL 56 HB VAL 56 0.293 5.393 -2.719 470 1HG1 VAL 56 HG11 VAL 56 1.437 3.502 -1.657 471 2HG1 VAL 56 HG12 VAL 56 1.460 4.382 -0.129 472 3HG1 VAL 56 HG13 VAL 56 2.364 4.995 -1.514 473 1HG2 VAL 56 HG21 VAL 56 -1.114 4.436 -0.223 474 2HG2 VAL 56 HG22 VAL 56 -0.992 3.534 -1.734 475 3HG2 VAL 56 HG23 VAL 56 -1.881 5.055 -1.686 476 H CYS 57 HN CYS 57 -2.273 6.713 -1.000 477 HA CYS 57 HA CYS 57 -2.436 9.169 -2.600 478 1HB CYS 57 HB2 CYS 57 -4.132 6.692 -2.977 479 2HB CYS 57 HB1 CYS 57 -4.386 8.231 -3.797 480 HG CYS 57 HG CYS 57 -1.377 7.733 -4.508 481 H LYS 58 HN LYS 58 -3.427 10.675 -1.465 482 HA LYS 58 HA LYS 58 -5.302 9.871 0.635 483 1HB LYS 58 HB2 LYS 58 -3.345 11.396 1.144 484 2HB LYS 58 HB1 LYS 58 -4.129 12.614 0.150 485 1HG LYS 58 HG2 LYS 58 -6.020 12.677 1.646 486 2HG LYS 58 HG1 LYS 58 -5.340 11.362 2.606 487 1HD LYS 58 HD2 LYS 58 -3.355 12.829 3.039 488 2HD LYS 58 HD1 LYS 58 -4.237 14.146 2.265 489 1HE LYS 58 HE2 LYS 58 -4.525 14.345 4.631 490 2HE LYS 58 HE1 LYS 58 -6.057 13.816 3.936 491 1HZ LYS 58 HZ1 LYS 58 -5.453 12.612 5.976 492 2HZ LYS 58 HZ2 LYS 58 -4.067 12.015 5.209 493 3HZ LYS 58 HZ3 LYS 58 -5.604 11.574 4.647 494 H ASN 59 HN ASN 59 -7.418 10.288 0.492 495 HA ASN 59 HA ASN 59 -9.438 11.024 -0.249 496 1HB ASN 59 HB2 ASN 59 -8.297 13.288 -0.005 497 2HB ASN 59 HB1 ASN 59 -7.965 13.212 -1.730 498 1HD2 ASN 59 HD21 ASN 59 -9.203 15.026 -2.153 499 2HD2 ASN 59 HD22 ASN 59 -10.932 15.010 -2.065 500 H ILE 60 HN ILE 60 -8.064 9.012 -1.624 501 HA ILE 60 HA ILE 60 -8.114 9.290 -4.421 502 HB ILE 60 HB ILE 60 -6.975 7.418 -3.368 503 1HG1 ILE 60 HG12 ILE 60 -9.278 6.421 -5.062 504 2HG1 ILE 60 HG11 ILE 60 -7.810 7.161 -5.690 505 1HG2 ILE 60 HG21 ILE 60 -8.441 7.045 -1.477 506 2HG2 ILE 60 HG22 ILE 60 -8.212 5.545 -2.377 507 3HG2 ILE 60 HG23 ILE 60 -9.712 6.456 -2.550 508 1HD1 ILE 60 HD11 ILE 60 -7.723 4.743 -5.885 509 2HD1 ILE 60 HD12 ILE 60 -7.970 4.580 -4.147 510 3HD1 ILE 60 HD13 ILE 60 -6.492 5.319 -4.761 511 H MET 61 HN MET 61 -9.727 9.359 -5.845 512 HA MET 61 HA MET 61 -11.797 9.406 -6.763 513 1HB MET 61 HB2 MET 61 -12.443 7.434 -4.570 514 2HB MET 61 HB1 MET 61 -13.581 7.902 -5.822 515 1HG MET 61 HG2 MET 61 -11.927 7.064 -7.509 516 2HG MET 61 HG1 MET 61 -10.984 6.427 -6.161 517 1HE MET 61 HE1 MET 61 -12.680 3.253 -7.809 518 2HE MET 61 HE2 MET 61 -11.150 4.039 -7.422 519 3HE MET 61 HE3 MET 61 -12.199 4.717 -8.667 520 H ASN 62 HN ASN 62 -10.968 11.073 -4.307 521 HA ASN 62 HA ASN 62 -11.822 12.734 -3.012 522 1HB ASN 62 HB2 ASN 62 -13.850 12.515 -5.190 523 2HB ASN 62 HB1 ASN 62 -14.257 13.486 -3.778 524 1HD2 ASN 62 HD21 ASN 62 -13.161 15.372 -3.383 525 2HD2 ASN 62 HD22 ASN 62 -12.133 16.125 -4.557 526 H THR 63 HN THR 63 -12.131 10.081 -2.136 527 HA THR 63 HA THR 63 -14.763 9.769 -1.001 528 HB THR 63 HB THR 63 -13.723 7.794 0.144 529 HG1 THR 63 HG1 THR 63 -11.469 7.927 -1.460 530 1HG2 THR 63 HG21 THR 63 -14.795 7.574 -2.052 531 2HG2 THR 63 HG22 THR 63 -13.417 6.484 -1.897 532 3HG2 THR 63 HG23 THR 63 -13.264 7.971 -2.832 533 H GLY 64 HN GLY 64 -11.773 11.208 -0.067 534 1HA GLY 64 HA2 GLY 64 -11.317 12.401 1.892 535 2HA GLY 64 HA1 GLY 64 -12.774 11.727 2.613 536 H VAL 65 HN VAL 65 -10.974 9.355 1.087 537 HA VAL 65 HA VAL 65 -9.824 8.482 3.651 538 HB VAL 65 HB VAL 65 -10.638 6.889 1.213 539 1HG1 VAL 65 HG11 VAL 65 -9.292 5.929 3.735 540 2HG1 VAL 65 HG12 VAL 65 -8.592 5.950 2.117 541 3HG1 VAL 65 HG13 VAL 65 -9.958 4.892 2.473 542 1HG2 VAL 65 HG21 VAL 65 -11.662 6.875 4.050 543 2HG2 VAL 65 HG22 VAL 65 -12.198 5.800 2.760 544 3HG2 VAL 65 HG23 VAL 65 -12.498 7.535 2.643 545 H ASP 66 HN ASP 66 -7.651 8.375 3.846 546 HA ASP 66 HA ASP 66 -6.054 8.416 1.393 547 1HB ASP 66 HB2 ASP 66 -4.096 8.768 2.963 548 2HB ASP 66 HB1 ASP 66 -5.249 10.088 2.856 549 H ILE 67 HN ILE 67 -5.138 6.681 0.658 550 HA ILE 67 HA ILE 67 -5.482 4.178 2.060 551 HB ILE 67 HB ILE 67 -4.195 4.756 -0.620 552 1HG1 ILE 67 HG12 ILE 67 -6.568 5.322 -0.610 553 2HG1 ILE 67 HG11 ILE 67 -6.296 3.870 -1.566 554 1HG2 ILE 67 HG21 ILE 67 -3.370 2.671 0.332 555 2HG2 ILE 67 HG22 ILE 67 -4.426 2.354 -1.045 556 3HG2 ILE 67 HG23 ILE 67 -5.026 2.124 0.597 557 1HD1 ILE 67 HD11 ILE 67 -7.080 2.496 0.293 558 2HD1 ILE 67 HD12 ILE 67 -8.299 3.672 -0.201 559 3HD1 ILE 67 HD13 ILE 67 -7.347 3.949 1.258 560 H ILE 68 HN ILE 68 -4.012 3.298 3.339 561 HA ILE 68 HA ILE 68 -1.269 4.344 3.187 562 HB ILE 68 HB ILE 68 -1.150 4.005 5.666 563 1HG1 ILE 68 HG12 ILE 68 -4.144 3.698 5.350 564 2HG1 ILE 68 HG11 ILE 68 -3.024 2.498 5.986 565 1HG2 ILE 68 HG21 ILE 68 -1.410 6.207 4.677 566 2HG2 ILE 68 HG22 ILE 68 -2.298 6.095 6.196 567 3HG2 ILE 68 HG23 ILE 68 -3.163 6.007 4.661 568 1HD1 ILE 68 HD11 ILE 68 -2.564 3.920 7.895 569 2HD1 ILE 68 HD12 ILE 68 -4.291 3.591 7.753 570 3HD1 ILE 68 HD13 ILE 68 -3.645 5.154 7.248 571 H CYS 69 HN CYS 69 0.370 2.951 3.276 572 HA CYS 69 HA CYS 69 -0.255 0.102 3.301 573 1HB CYS 69 HB2 CYS 69 2.515 1.212 3.007 574 2HB CYS 69 HB1 CYS 69 1.815 -0.237 2.294 575 HG CYS 69 HG CYS 69 2.022 2.826 1.064 576 H THR 70 HN THR 70 0.557 -1.319 4.866 577 HA THR 70 HA THR 70 1.449 0.063 7.311 578 HB THR 70 HB THR 70 -0.823 -0.988 7.390 579 HG1 THR 70 HG1 THR 70 0.279 -0.741 9.341 580 1HG2 THR 70 HG21 THR 70 -0.991 -3.435 7.539 581 2HG2 THR 70 HG22 THR 70 0.724 -3.573 7.154 582 3HG2 THR 70 HG23 THR 70 -0.397 -2.924 5.958 583 H LYS 71 HN LYS 71 2.709 -1.677 4.908 584 HA LYS 71 HA LYS 71 4.262 -3.520 6.567 585 1HB LYS 71 HB2 LYS 71 3.185 -3.708 3.998 586 2HB LYS 71 HB1 LYS 71 4.912 -3.522 3.741 587 1HG LYS 71 HG2 LYS 71 3.668 -5.601 5.527 588 2HG LYS 71 HG1 LYS 71 4.168 -5.873 3.858 589 1HD LYS 71 HD2 LYS 71 6.471 -5.285 4.466 590 2HD LYS 71 HD1 LYS 71 5.959 -5.049 6.141 591 1HE LYS 71 HE2 LYS 71 5.211 -7.403 6.206 592 2HE LYS 71 HE1 LYS 71 5.828 -7.622 4.569 593 1HZ LYS 71 HZ1 LYS 71 7.413 -8.409 6.188 594 2HZ LYS 71 HZ2 LYS 71 7.431 -6.901 6.963 595 3HZ LYS 71 HZ3 LYS 71 8.045 -7.053 5.393 596 H ASN 72 HN ASN 72 6.327 -3.182 7.058 597 HA ASN 72 HA ASN 72 7.568 -0.697 6.226 598 1HB ASN 72 HB2 ASN 72 8.511 -2.886 8.093 599 2HB ASN 72 HB1 ASN 72 9.422 -1.420 7.759 600 1HD2 ASN 72 HD21 ASN 72 5.929 -1.667 8.146 601 2HD2 ASN 72 HD22 ASN 72 5.834 -0.719 9.592 602 H LEU 73 HN LEU 73 8.676 -0.561 4.415 603 HA LEU 73 HA LEU 73 9.565 -3.054 3.152 604 1HB LEU 73 HB2 LEU 73 9.262 -0.287 1.984 605 2HB LEU 73 HB1 LEU 73 9.658 -1.741 1.089 606 HG LEU 73 HG LEU 73 7.054 -1.299 2.560 607 1HD1 LEU 73 HD11 LEU 73 7.697 -1.094 -0.379 608 2HD1 LEU 73 HD12 LEU 73 7.246 0.236 0.691 609 3HD1 LEU 73 HD13 LEU 73 6.081 -1.037 0.325 610 1HD2 LEU 73 HD21 LEU 73 6.308 -3.267 1.332 611 2HD2 LEU 73 HD22 LEU 73 7.700 -3.651 2.345 612 3HD2 LEU 73 HD23 LEU 73 7.907 -3.434 0.605 613 HA PRO 74 HA PRO 74 13.829 -2.107 4.151 614 1HB PRO 74 HB2 PRO 74 14.314 -4.078 1.990 615 2HB PRO 74 HB1 PRO 74 14.894 -4.073 3.659 616 1HG PRO 74 HG2 PRO 74 12.981 -5.760 2.885 617 2HG PRO 74 HG1 PRO 74 12.932 -4.992 4.483 618 1HD PRO 74 HD2 PRO 74 11.394 -4.310 2.005 619 2HD PRO 74 HD1 PRO 74 10.845 -4.357 3.693 620 H LYS 75 HN LYS 75 15.404 -0.856 3.235 621 HA LYS 75 HA LYS 75 14.768 0.213 0.558 622 1HB LYS 75 HB2 LYS 75 14.131 1.579 2.670 623 2HB LYS 75 HB1 LYS 75 15.857 1.873 2.818 624 1HG LYS 75 HG2 LYS 75 15.927 3.067 0.784 625 2HG LYS 75 HG1 LYS 75 14.309 2.522 0.327 626 1HD LYS 75 HD2 LYS 75 13.399 3.745 2.279 627 2HD LYS 75 HD1 LYS 75 15.018 4.361 2.609 628 1HE LYS 75 HE2 LYS 75 15.050 5.455 0.431 629 2HE LYS 75 HE1 LYS 75 13.442 4.821 0.080 630 1HZ LYS 75 HZ1 LYS 75 13.525 7.172 0.898 631 2HZ LYS 75 HZ2 LYS 75 14.016 6.570 2.407 632 3HZ LYS 75 HZ3 LYS 75 12.502 6.148 1.774 633 H ASP 76 HN ASP 76 16.667 -1.821 1.240 634 HA ASP 76 HA ASP 76 19.285 -0.914 1.594 635 1HB ASP 76 HB2 ASP 76 18.270 -3.397 0.196 636 2HB ASP 76 HB1 ASP 76 19.948 -3.123 0.660 637 H SER 77 HN SER 77 20.132 0.611 0.356 638 HA SER 77 HA SER 77 20.523 0.034 -2.473 639 1HB SER 77 HB2 SER 77 19.953 2.491 -2.961 640 2HB SER 77 HB1 SER 77 18.595 1.407 -2.654 641 HG SER 77 HG SER 77 18.432 2.221 -0.584 642 H LEU 78 HN LEU 78 22.433 -0.356 -0.742 643 HA LEU 78 HA LEU 78 23.910 1.770 0.267 644 1HB LEU 78 HB2 LEU 78 24.804 -0.979 -0.580 645 2HB LEU 78 HB1 LEU 78 25.853 0.160 0.235 646 HG LEU 78 HG LEU 78 25.089 -1.332 1.895 647 1HD1 LEU 78 HD11 LEU 78 25.087 1.002 2.578 648 2HD1 LEU 78 HD12 LEU 78 23.833 0.089 3.417 649 3HD1 LEU 78 HD13 LEU 78 23.402 1.155 2.081 650 1HD2 LEU 78 HD21 LEU 78 23.218 -2.325 0.695 651 2HD2 LEU 78 HD22 LEU 78 22.277 -0.849 0.914 652 3HD2 LEU 78 HD23 LEU 78 22.729 -1.822 2.314 653 H GLU 79 HN GLU 79 24.073 0.236 -2.882 654 HA GLU 79 HA GLU 79 26.160 2.097 -3.705 655 1HB GLU 79 HB2 GLU 79 26.309 -0.309 -4.353 656 2HB GLU 79 HB1 GLU 79 24.844 -0.108 -5.305 657 1HG GLU 79 HG2 GLU 79 25.950 1.465 -6.756 658 2HG GLU 79 HG1 GLU 79 27.398 1.424 -5.750 659 H HIS 80 HN HIS 80 25.521 4.031 -4.337 660 HA HIS 80 HA HIS 80 22.783 4.576 -4.974 661 1HB HIS 80 HB2 HIS 80 25.246 6.332 -5.115 662 2HB HIS 80 HB1 HIS 80 23.602 6.906 -5.371 663 HD1 HIS 80 HD1 HIS 80 22.847 8.125 -3.358 664 HD2 HIS 80 HD2 HIS 80 25.177 4.821 -2.376 665 HE1 HIS 80 HE1 HIS 80 22.897 8.048 -0.842 666 HE2 HIS 80 HE2 HIS 80 24.426 6.122 -0.276 667 H HIS 81 HN HIS 81 21.974 5.424 -6.963 668 HA HIS 81 HA HIS 81 22.870 3.823 -9.138 669 1HB HIS 81 HB2 HIS 81 20.726 5.925 -8.902 670 2HB HIS 81 HB1 HIS 81 21.077 5.108 -10.422 671 HD1 HIS 81 HD1 HIS 81 18.583 4.940 -8.113 672 HD2 HIS 81 HD2 HIS 81 21.227 2.042 -9.510 673 HE1 HIS 81 HE1 HIS 81 17.478 2.725 -7.648 674 HE2 HIS 81 HE2 HIS 81 19.054 0.986 -8.576 675 H HIS 82 HN HIS 82 24.660 4.247 -10.160 676 HA HIS 82 HA HIS 82 26.167 5.242 -11.516 677 1HB HIS 82 HB2 HIS 82 23.795 6.990 -11.947 678 2HB HIS 82 HB1 HIS 82 25.354 7.540 -12.551 679 HD1 HIS 82 HD1 HIS 82 23.140 4.445 -12.808 680 HD2 HIS 82 HD2 HIS 82 25.970 6.571 -14.996 681 HE1 HIS 82 HE1 HIS 82 23.232 3.336 -15.061 682 HE2 HIS 82 HE2 HIS 82 25.027 4.565 -16.333 683 H HIS 83 HN HIS 83 27.721 5.615 -10.008 684 HA HIS 83 HA HIS 83 27.852 8.338 -8.913 685 1HB HIS 83 HB2 HIS 83 29.567 7.572 -7.423 686 2HB HIS 83 HB1 HIS 83 28.283 6.372 -7.375 687 HD1 HIS 83 HD1 HIS 83 28.792 4.046 -8.490 688 HD2 HIS 83 HD2 HIS 83 32.018 6.672 -8.318 689 HE1 HIS 83 HE1 HIS 83 30.835 2.653 -8.955 690 HE2 HIS 83 HE2 HIS 83 32.782 4.232 -8.680 691 H HIS 84 HN HIS 84 29.924 9.525 -9.214 692 HA HIS 84 HA HIS 84 31.017 8.852 -11.869 693 1HB HIS 84 HB2 HIS 84 31.138 11.159 -12.446 694 2HB HIS 84 HB1 HIS 84 29.524 10.888 -11.805 695 HD1 HIS 84 HD1 HIS 84 32.800 12.573 -10.962 696 HD2 HIS 84 HD2 HIS 84 28.895 12.342 -9.526 697 HE1 HIS 84 HE1 HIS 84 32.602 14.376 -9.229 698 HE2 HIS 84 HE2 HIS 84 30.175 14.378 -8.572 699 H HIS 85 HN HIS 85 33.105 10.040 -12.300 700 HA HIS 85 HA HIS 85 34.735 10.363 -9.887 701 1HB HIS 85 HB2 HIS 85 36.661 9.309 -11.176 702 2HB HIS 85 HB1 HIS 85 35.410 8.201 -10.632 703 HD1 HIS 85 HD1 HIS 85 36.887 9.693 -13.728 704 HD2 HIS 85 HD2 HIS 85 33.940 6.961 -12.670 705 HE1 HIS 85 HE1 HIS 85 36.265 8.509 -15.858 706 HE2 HIS 85 HE2 HIS 85 34.500 6.836 -15.197 Start of MODEL 5 1 1H MET 1 HT1 MET 1 -25.123 -5.379 5.799 2 2H MET 1 HT2 MET 1 -23.966 -4.397 5.039 3 3H MET 1 HT3 MET 1 -25.314 -3.693 5.784 4 HA MET 1 HA MET 1 -24.583 -4.325 7.933 5 1HB MET 1 HB2 MET 1 -22.564 -5.556 8.328 6 2HB MET 1 HB1 MET 1 -23.520 -6.473 7.178 7 1HG MET 1 HG2 MET 1 -21.204 -4.695 6.452 8 2HG MET 1 HG1 MET 1 -21.113 -6.443 6.654 9 1HE MET 1 HE1 MET 1 -20.159 -4.843 4.049 10 2HE MET 1 HE2 MET 1 -20.760 -5.904 2.776 11 3HE MET 1 HE3 MET 1 -20.014 -6.591 4.220 12 H HIS 2 HN HIS 2 -22.333 -3.457 8.949 13 HA HIS 2 HA HIS 2 -22.021 -0.821 7.924 14 1HB HIS 2 HB2 HIS 2 -20.597 -2.350 10.094 15 2HB HIS 2 HB1 HIS 2 -20.096 -0.731 9.620 16 HD1 HIS 2 HD1 HIS 2 -21.655 -1.958 12.329 17 HD2 HIS 2 HD2 HIS 2 -23.001 0.719 9.441 18 HE1 HIS 2 HE1 HIS 2 -23.512 -0.652 13.418 19 HE2 HIS 2 HE2 HIS 2 -24.332 0.945 11.648 20 H LYS 3 HN LYS 3 -19.832 0.093 7.432 21 HA LYS 3 HA LYS 3 -18.884 -1.325 5.137 22 1HB LYS 3 HB2 LYS 3 -17.767 1.208 6.349 23 2HB LYS 3 HB1 LYS 3 -17.582 0.648 4.689 24 1HG LYS 3 HG2 LYS 3 -19.972 0.911 4.318 25 2HG LYS 3 HG1 LYS 3 -20.178 1.451 5.985 26 1HD LYS 3 HD2 LYS 3 -18.645 3.343 5.499 27 2HD LYS 3 HD1 LYS 3 -18.616 2.831 3.809 28 1HE LYS 3 HE2 LYS 3 -21.107 3.048 3.788 29 2HE LYS 3 HE1 LYS 3 -21.002 3.759 5.398 30 1HZ LYS 3 HZ1 LYS 3 -19.823 4.831 2.894 31 2HZ LYS 3 HZ2 LYS 3 -19.547 5.488 4.440 32 3HZ LYS 3 HZ3 LYS 3 -21.110 5.494 3.781 33 H ASP 4 HN ASP 4 -16.555 -1.715 4.712 34 HA ASP 4 HA ASP 4 -15.284 -2.737 7.165 35 1HB ASP 4 HB2 ASP 4 -16.448 -4.511 5.821 36 2HB ASP 4 HB1 ASP 4 -15.346 -4.158 4.496 37 H ILE 5 HN ILE 5 -12.953 -3.103 6.975 38 HA ILE 5 HA ILE 5 -11.695 -0.885 5.665 39 HB ILE 5 HB ILE 5 -10.480 -3.173 7.225 40 1HG1 ILE 5 HG12 ILE 5 -11.971 -1.740 8.560 41 2HG1 ILE 5 HG11 ILE 5 -10.292 -1.546 9.048 42 1HG2 ILE 5 HG21 ILE 5 -8.847 -2.224 5.711 43 2HG2 ILE 5 HG22 ILE 5 -8.479 -1.743 7.368 44 3HG2 ILE 5 HG23 ILE 5 -9.244 -0.597 6.265 45 1HD1 ILE 5 HD11 ILE 5 -11.876 0.336 7.313 46 2HD1 ILE 5 HD12 ILE 5 -10.177 0.531 7.741 47 3HD1 ILE 5 HD13 ILE 5 -11.416 0.591 8.996 48 H PHE 6 HN PHE 6 -11.278 -0.926 3.583 49 HA PHE 6 HA PHE 6 -11.011 -3.229 1.975 50 1HB PHE 6 HB2 PHE 6 -11.659 -1.053 1.054 51 2HB PHE 6 HB1 PHE 6 -10.097 -0.378 1.498 52 HD1 PHE 6 HD1 PHE 6 -11.809 -2.738 -0.752 53 HD2 PHE 6 HD2 PHE 6 -8.200 -0.655 0.114 54 HE1 PHE 6 HE1 PHE 6 -10.925 -3.354 -2.963 55 HE2 PHE 6 HE2 PHE 6 -7.311 -1.272 -2.091 56 HZ PHE 6 HZ PHE 6 -8.672 -2.621 -3.634 57 H THR 7 HN THR 7 -9.445 -4.666 2.437 58 HA THR 7 HA THR 7 -6.714 -3.613 2.781 59 HB THR 7 HB THR 7 -7.714 -6.312 3.730 60 HG1 THR 7 HG1 THR 7 -8.601 -4.174 4.692 61 1HG2 THR 7 HG21 THR 7 -5.713 -6.238 5.153 62 2HG2 THR 7 HG22 THR 7 -5.267 -4.685 4.441 63 3HG2 THR 7 HG23 THR 7 -5.293 -6.140 3.443 64 H SER 8 HN SER 8 -5.340 -4.104 1.133 65 HA SER 8 HA SER 8 -5.681 -6.571 -0.376 66 1HB SER 8 HB2 SER 8 -5.801 -3.849 -1.706 67 2HB SER 8 HB1 SER 8 -5.708 -5.393 -2.556 68 HG SER 8 HG SER 8 -7.703 -5.521 -0.799 69 H VAL 9 HN VAL 9 -3.933 -6.164 -2.411 70 HA VAL 9 HA VAL 9 -1.446 -5.287 -1.093 71 HB VAL 9 HB VAL 9 -1.715 -7.580 -3.052 72 1HG1 VAL 9 HG11 VAL 9 0.651 -6.604 -1.457 73 2HG1 VAL 9 HG12 VAL 9 0.432 -6.458 -3.201 74 3HG1 VAL 9 HG13 VAL 9 0.620 -8.050 -2.467 75 1HG2 VAL 9 HG21 VAL 9 -1.285 -7.633 -0.065 76 2HG2 VAL 9 HG22 VAL 9 -1.163 -9.031 -1.133 77 3HG2 VAL 9 HG23 VAL 9 -2.709 -8.205 -0.935 78 H VAL 10 HN VAL 10 -0.230 -3.868 -2.228 79 HA VAL 10 HA VAL 10 -1.103 -3.264 -4.975 80 HB VAL 10 HB VAL 10 -1.387 -1.456 -3.232 81 1HG1 VAL 10 HG11 VAL 10 1.621 -1.401 -3.341 82 2HG1 VAL 10 HG12 VAL 10 0.625 -1.820 -1.947 83 3HG1 VAL 10 HG13 VAL 10 0.602 -0.176 -2.586 84 1HG2 VAL 10 HG21 VAL 10 -0.538 0.340 -4.673 85 2HG2 VAL 10 HG22 VAL 10 -1.362 -0.920 -5.591 86 3HG2 VAL 10 HG23 VAL 10 0.400 -0.846 -5.580 87 H ARG 11 HN ARG 11 0.574 -2.607 -6.481 88 HA ARG 11 HA ARG 11 2.928 -4.286 -6.133 89 1HB ARG 11 HB2 ARG 11 1.760 -2.918 -8.566 90 2HB ARG 11 HB1 ARG 11 3.206 -3.924 -8.591 91 1HG ARG 11 HG2 ARG 11 2.014 -5.867 -8.109 92 2HG ARG 11 HG1 ARG 11 0.625 -4.974 -7.496 93 1HD ARG 11 HD2 ARG 11 0.042 -5.910 -9.613 94 2HD ARG 11 HD1 ARG 11 0.200 -4.168 -9.804 95 HE ARG 11 HE ARG 11 2.194 -4.505 -11.025 96 1HH1 ARG 11 HH11 ARG 11 0.714 -7.526 -10.037 97 2HH1 ARG 11 HH12 ARG 11 1.431 -8.447 -11.328 98 1HH2 ARG 11 HH21 ARG 11 3.134 -5.694 -12.707 99 2HH2 ARG 11 HH22 ARG 11 2.827 -7.405 -12.847 100 H VAL 12 HN VAL 12 4.953 -3.549 -5.957 101 HA VAL 12 HA VAL 12 5.168 -0.691 -5.354 102 HB VAL 12 HB VAL 12 7.224 -2.761 -4.629 103 1HG1 VAL 12 HG11 VAL 12 7.838 -0.445 -4.243 104 2HG1 VAL 12 HG12 VAL 12 7.585 -1.273 -2.704 105 3HG1 VAL 12 HG13 VAL 12 6.349 -0.186 -3.332 106 1HG2 VAL 12 HG21 VAL 12 6.044 -3.101 -2.517 107 2HG2 VAL 12 HG22 VAL 12 5.102 -3.657 -3.900 108 3HG2 VAL 12 HG23 VAL 12 4.708 -2.123 -3.120 109 H ARG 13 HN ARG 13 6.847 0.561 -6.051 110 HA ARG 13 HA ARG 13 8.280 -0.421 -8.435 111 1HB ARG 13 HB2 ARG 13 6.578 1.074 -9.140 112 2HB ARG 13 HB1 ARG 13 6.911 2.195 -7.836 113 1HG ARG 13 HG2 ARG 13 9.038 2.783 -8.907 114 2HG ARG 13 HG1 ARG 13 8.663 1.670 -10.227 115 1HD ARG 13 HD2 ARG 13 6.708 2.943 -10.813 116 2HD ARG 13 HD1 ARG 13 6.912 3.985 -9.409 117 HE ARG 13 HE ARG 13 9.230 4.139 -10.987 118 1HH1 ARG 13 HH11 ARG 13 5.829 5.032 -11.126 119 2HH1 ARG 13 HH12 ARG 13 6.113 6.421 -12.133 120 1HH2 ARG 13 HH21 ARG 13 9.584 5.953 -12.329 121 2HH2 ARG 13 HH22 ARG 13 8.240 6.942 -12.827 122 H GLY 14 HN GLY 14 10.461 0.138 -8.631 123 1HA GLY 14 HA2 GLY 14 12.218 1.737 -8.308 124 2HA GLY 14 HA1 GLY 14 11.484 2.186 -6.778 125 H SER 15 HN SER 15 13.791 1.929 -6.119 126 HA SER 15 HA SER 15 14.891 -0.705 -6.007 127 1HB SER 15 HB2 SER 15 16.603 0.435 -4.518 128 2HB SER 15 HB1 SER 15 16.435 1.106 -6.140 129 HG SER 15 HG SER 15 15.079 2.124 -3.863 130 H LYS 16 HN LYS 16 13.714 -2.113 -4.870 131 HA LYS 16 HA LYS 16 13.739 -1.890 -2.017 132 1HB LYS 16 HB2 LYS 16 11.215 -2.432 -1.905 133 2HB LYS 16 HB1 LYS 16 11.704 -0.763 -2.146 134 1HG LYS 16 HG2 LYS 16 9.821 -1.284 -3.552 135 2HG LYS 16 HG1 LYS 16 11.244 -0.992 -4.555 136 1HD LYS 16 HD2 LYS 16 11.566 -3.383 -4.833 137 2HD LYS 16 HD1 LYS 16 10.205 -3.716 -3.765 138 1HE LYS 16 HE2 LYS 16 9.248 -3.970 -5.836 139 2HE LYS 16 HE1 LYS 16 8.876 -2.282 -5.484 140 1HZ LYS 16 HZ1 LYS 16 10.884 -1.673 -6.781 141 2HZ LYS 16 HZ2 LYS 16 9.691 -2.437 -7.708 142 3HZ LYS 16 HZ3 LYS 16 11.062 -3.301 -7.220 143 H LYS 17 HN LYS 17 12.742 -3.924 -1.031 144 HA LYS 17 HA LYS 17 13.820 -6.172 -2.492 145 1HB LYS 17 HB2 LYS 17 12.707 -5.874 0.294 146 2HB LYS 17 HB1 LYS 17 13.232 -7.418 -0.363 147 1HG LYS 17 HG2 LYS 17 15.012 -4.999 -0.184 148 2HG LYS 17 HG1 LYS 17 14.913 -6.245 1.064 149 1HD LYS 17 HD2 LYS 17 15.636 -7.932 -0.508 150 2HD LYS 17 HD1 LYS 17 15.628 -6.757 -1.822 151 1HE LYS 17 HE2 LYS 17 17.421 -5.520 -0.784 152 2HE LYS 17 HE1 LYS 17 17.371 -6.572 0.630 153 1HZ LYS 17 HZ1 LYS 17 18.161 -8.385 -0.643 154 2HZ LYS 17 HZ2 LYS 17 19.176 -7.077 -1.000 155 3HZ LYS 17 HZ3 LYS 17 17.975 -7.551 -2.104 156 H TYR 18 HN TYR 18 10.688 -5.396 -0.982 157 HA TYR 18 HA TYR 18 9.486 -7.732 -2.206 158 1HB TYR 18 HB2 TYR 18 8.208 -5.602 -0.479 159 2HB TYR 18 HB1 TYR 18 7.503 -7.156 -0.909 160 HD1 TYR 18 HD1 TYR 18 8.673 -9.269 -0.064 161 HD2 TYR 18 HD2 TYR 18 9.541 -5.381 1.432 162 HE1 TYR 18 HE1 TYR 18 9.650 -10.272 1.958 163 HE2 TYR 18 HE2 TYR 18 10.522 -6.374 3.455 164 HH TYR 18 HH TYR 18 11.335 -9.612 3.728 165 H ASN 19 HN ASN 19 8.378 -7.733 -4.048 166 HA ASN 19 HA ASN 19 8.082 -5.285 -5.533 167 1HB ASN 19 HB2 ASN 19 7.382 -8.153 -6.160 168 2HB ASN 19 HB1 ASN 19 7.041 -6.826 -7.263 169 1HD2 ASN 19 HD21 ASN 19 8.729 -5.795 -8.302 170 2HD2 ASN 19 HD22 ASN 19 10.324 -6.457 -8.357 171 H VAL 20 HN VAL 20 6.168 -6.976 -3.329 172 HA VAL 20 HA VAL 20 3.858 -5.336 -4.064 173 HB VAL 20 HB VAL 20 2.341 -7.222 -3.377 174 1HG1 VAL 20 HG11 VAL 20 2.660 -6.643 -5.719 175 2HG1 VAL 20 HG12 VAL 20 2.475 -8.387 -5.529 176 3HG1 VAL 20 HG13 VAL 20 4.074 -7.693 -5.800 177 1HG2 VAL 20 HG21 VAL 20 3.982 -8.573 -2.169 178 2HG2 VAL 20 HG22 VAL 20 4.850 -8.873 -3.675 179 3HG2 VAL 20 HG23 VAL 20 3.217 -9.504 -3.457 180 H VAL 21 HN VAL 21 2.764 -4.455 -2.364 181 HA VAL 21 HA VAL 21 3.543 -5.291 0.342 182 HB VAL 21 HB VAL 21 3.620 -2.886 1.047 183 1HG1 VAL 21 HG11 VAL 21 5.657 -3.718 -0.999 184 2HG1 VAL 21 HG12 VAL 21 5.664 -4.138 0.714 185 3HG1 VAL 21 HG13 VAL 21 5.872 -2.458 0.216 186 1HG2 VAL 21 HG21 VAL 21 2.376 -1.917 -0.815 187 2HG2 VAL 21 HG22 VAL 21 3.692 -2.341 -1.912 188 3HG2 VAL 21 HG23 VAL 21 3.958 -1.160 -0.630 189 HA PRO 22 HA PRO 22 -0.846 -5.227 0.893 190 1HB PRO 22 HB2 PRO 22 -0.912 -5.425 3.600 191 2HB PRO 22 HB1 PRO 22 -0.519 -6.786 2.541 192 1HG PRO 22 HG2 PRO 22 1.321 -4.976 4.060 193 2HG PRO 22 HG1 PRO 22 1.385 -6.739 3.877 194 1HD PRO 22 HD2 PRO 22 2.945 -5.074 2.429 195 2HD PRO 22 HD1 PRO 22 2.340 -6.613 1.781 196 H VAL 23 HN VAL 23 -2.266 -3.643 0.961 197 HA VAL 23 HA VAL 23 -1.708 -1.266 2.599 198 HB VAL 23 HB VAL 23 -2.959 0.070 0.925 199 1HG1 VAL 23 HG11 VAL 23 -1.188 0.142 -0.763 200 2HG1 VAL 23 HG12 VAL 23 -0.569 -1.400 -0.174 201 3HG1 VAL 23 HG13 VAL 23 -0.529 0.022 0.867 202 1HG2 VAL 23 HG21 VAL 23 -2.842 -2.449 -0.731 203 2HG2 VAL 23 HG22 VAL 23 -3.369 -0.867 -1.305 204 3HG2 VAL 23 HG23 VAL 23 -4.296 -1.707 -0.062 205 H LYS 24 HN LYS 24 -3.714 -0.037 3.106 206 HA LYS 24 HA LYS 24 -6.158 -1.595 3.189 207 1HB LYS 24 HB2 LYS 24 -6.411 -1.250 5.643 208 2HB LYS 24 HB1 LYS 24 -5.113 -2.354 5.216 209 1HG LYS 24 HG2 LYS 24 -3.484 -0.548 5.568 210 2HG LYS 24 HG1 LYS 24 -4.803 0.529 6.034 211 1HD LYS 24 HD2 LYS 24 -3.667 -0.412 7.995 212 2HD LYS 24 HD1 LYS 24 -5.353 -0.926 7.908 213 1HE LYS 24 HE2 LYS 24 -4.624 -3.057 6.912 214 2HE LYS 24 HE1 LYS 24 -2.948 -2.539 7.063 215 1HZ LYS 24 HZ1 LYS 24 -3.658 -4.015 8.866 216 2HZ LYS 24 HZ2 LYS 24 -4.826 -2.880 9.342 217 3HZ LYS 24 HZ3 LYS 24 -3.177 -2.494 9.446 218 H SER 25 HN SER 25 -7.817 -0.177 4.557 219 HA SER 25 HA SER 25 -7.635 2.501 3.341 220 1HB SER 25 HB2 SER 25 -10.104 2.497 3.428 221 2HB SER 25 HB1 SER 25 -9.477 1.126 2.514 222 HG SER 25 HG SER 25 -10.303 1.063 5.232 223 H ASN 26 HN ASN 26 -7.634 4.256 4.535 224 HA ASN 26 HA ASN 26 -7.204 4.326 7.259 225 1HB ASN 26 HB2 ASN 26 -6.662 6.180 5.768 226 2HB ASN 26 HB1 ASN 26 -8.370 6.476 5.477 227 1HD2 ASN 26 HD21 ASN 26 -8.210 8.593 6.191 228 2HD2 ASN 26 HD22 ASN 26 -8.053 8.983 7.866 229 H LYS 27 HN LYS 27 -10.279 4.655 5.526 230 HA LYS 27 HA LYS 27 -11.637 4.283 8.105 231 1HB LYS 27 HB2 LYS 27 -12.586 6.055 5.837 232 2HB LYS 27 HB1 LYS 27 -13.512 5.684 7.283 233 1HG LYS 27 HG2 LYS 27 -11.511 6.680 8.558 234 2HG LYS 27 HG1 LYS 27 -11.058 7.367 7.001 235 1HD LYS 27 HD2 LYS 27 -13.690 7.793 8.419 236 2HD LYS 27 HD1 LYS 27 -12.360 8.946 8.355 237 1HE LYS 27 HE2 LYS 27 -13.639 9.769 6.662 238 2HE LYS 27 HE1 LYS 27 -12.678 8.612 5.747 239 1HZ LYS 27 HZ1 LYS 27 -15.394 8.078 6.837 240 2HZ LYS 27 HZ2 LYS 27 -14.481 7.030 5.867 241 3HZ LYS 27 HZ3 LYS 27 -15.055 8.489 5.226 242 HA PRO 28 HA PRO 28 -13.619 0.776 6.336 243 1HB PRO 28 HB2 PRO 28 -16.195 1.144 7.280 244 2HB PRO 28 HB1 PRO 28 -14.876 0.410 8.197 245 1HG PRO 28 HG2 PRO 28 -15.909 3.213 8.275 246 2HG PRO 28 HG1 PRO 28 -15.374 2.176 9.611 247 1HD PRO 28 HD2 PRO 28 -13.807 4.119 8.648 248 2HD PRO 28 HD1 PRO 28 -13.127 2.564 9.174 249 H VAL 29 HN VAL 29 -14.277 0.447 4.339 250 HA VAL 29 HA VAL 29 -15.965 2.495 3.056 251 HB VAL 29 HB VAL 29 -13.632 2.603 2.283 252 1HG1 VAL 29 HG11 VAL 29 -12.692 0.753 0.954 253 2HG1 VAL 29 HG12 VAL 29 -14.066 -0.249 1.424 254 3HG1 VAL 29 HG13 VAL 29 -12.939 0.335 2.650 255 1HG2 VAL 29 HG21 VAL 29 -14.036 2.468 -0.119 256 2HG2 VAL 29 HG22 VAL 29 -15.398 3.210 0.721 257 3HG2 VAL 29 HG23 VAL 29 -15.504 1.536 0.176 258 H GLU 30 HN GLU 30 -17.317 1.686 1.270 259 HA GLU 30 HA GLU 30 -18.585 -0.770 2.019 260 1HB GLU 30 HB2 GLU 30 -19.084 0.832 -0.492 261 2HB GLU 30 HB1 GLU 30 -20.179 -0.294 0.293 262 1HG GLU 30 HG2 GLU 30 -21.075 1.679 0.977 263 2HG GLU 30 HG1 GLU 30 -19.954 1.376 2.302 264 H ILE 31 HN ILE 31 -18.601 -2.727 0.944 265 HA ILE 31 HA ILE 31 -16.264 -3.383 -0.531 266 HB ILE 31 HB ILE 31 -17.284 -5.629 -0.793 267 1HG1 ILE 31 HG12 ILE 31 -19.600 -4.441 0.757 268 2HG1 ILE 31 HG11 ILE 31 -19.645 -4.850 -0.954 269 1HG2 ILE 31 HG21 ILE 31 -15.965 -5.120 1.175 270 2HG2 ILE 31 HG22 ILE 31 -17.310 -6.176 1.610 271 3HG2 ILE 31 HG23 ILE 31 -17.385 -4.454 1.983 272 1HD1 ILE 31 HD11 ILE 31 -19.258 -7.199 -0.390 273 2HD1 ILE 31 HD12 ILE 31 -20.715 -6.563 0.374 274 3HD1 ILE 31 HD13 ILE 31 -19.243 -6.777 1.323 275 H SER 32 HN SER 32 -19.132 -1.958 -1.479 276 HA SER 32 HA SER 32 -19.491 -3.057 -4.050 277 1HB SER 32 HB2 SER 32 -20.631 -0.800 -4.470 278 2HB SER 32 HB1 SER 32 -21.276 -1.774 -3.146 279 HG SER 32 HG SER 32 -20.955 0.427 -2.545 280 H LYS 33 HN LYS 33 -17.227 -0.798 -2.718 281 HA LYS 33 HA LYS 33 -16.322 0.031 -5.383 282 1HB LYS 33 HB2 LYS 33 -15.482 1.016 -2.649 283 2HB LYS 33 HB1 LYS 33 -14.953 1.684 -4.186 284 1HG LYS 33 HG2 LYS 33 -17.244 2.357 -4.690 285 2HG LYS 33 HG1 LYS 33 -17.783 1.673 -3.154 286 1HD LYS 33 HD2 LYS 33 -16.264 3.233 -1.976 287 2HD LYS 33 HD1 LYS 33 -15.846 3.958 -3.530 288 1HE LYS 33 HE2 LYS 33 -17.545 5.268 -2.352 289 2HE LYS 33 HE1 LYS 33 -18.170 4.610 -3.863 290 1HZ LYS 33 HZ1 LYS 33 -19.327 2.920 -2.673 291 2HZ LYS 33 HZ2 LYS 33 -19.713 4.403 -1.951 292 3HZ LYS 33 HZ3 LYS 33 -18.604 3.360 -1.202 293 H TRP 34 HN TRP 34 -15.797 -2.501 -3.459 294 HA TRP 34 HA TRP 34 -13.070 -2.637 -2.933 295 1HB TRP 34 HB2 TRP 34 -14.742 -4.239 -2.056 296 2HB TRP 34 HB1 TRP 34 -14.911 -4.927 -3.665 297 HD1 TRP 34 HD1 TRP 34 -12.714 -6.276 -4.633 298 HE1 TRP 34 HE1 TRP 34 -10.898 -7.593 -3.369 299 HE3 TRP 34 HE3 TRP 34 -13.445 -4.368 0.057 300 HZ2 TRP 34 HZ2 TRP 34 -9.919 -7.803 -0.731 301 HZ3 TRP 34 HZ3 TRP 34 -12.030 -5.186 1.896 302 HH2 TRP 34 HH2 TRP 34 -10.304 -6.869 1.509 303 H ILE 35 HN ILE 35 -14.832 -3.862 -5.768 304 HA ILE 35 HA ILE 35 -12.500 -4.807 -7.073 305 HB ILE 35 HB ILE 35 -13.948 -4.996 -9.090 306 1HG1 ILE 35 HG12 ILE 35 -16.090 -3.901 -7.249 307 2HG1 ILE 35 HG11 ILE 35 -15.399 -3.046 -8.624 308 1HG2 ILE 35 HG21 ILE 35 -15.035 -6.124 -6.513 309 2HG2 ILE 35 HG22 ILE 35 -13.777 -6.828 -7.527 310 3HG2 ILE 35 HG23 ILE 35 -15.432 -6.716 -8.126 311 1HD1 ILE 35 HD11 ILE 35 -16.273 -4.793 -10.115 312 2HD1 ILE 35 HD12 ILE 35 -17.543 -3.969 -9.210 313 3HD1 ILE 35 HD13 ILE 35 -17.017 -5.579 -8.724 314 H ASP 36 HN ASP 36 -14.040 -1.703 -6.961 315 HA ASP 36 HA ASP 36 -12.846 -0.747 -9.396 316 1HB ASP 36 HB2 ASP 36 -14.999 0.147 -8.547 317 2HB ASP 36 HB1 ASP 36 -14.147 0.830 -7.164 318 H PHE 37 HN PHE 37 -12.306 -0.231 -5.927 319 HA PHE 37 HA PHE 37 -10.108 1.498 -6.150 320 1HB PHE 37 HB2 PHE 37 -10.991 -0.406 -3.990 321 2HB PHE 37 HB1 PHE 37 -9.526 0.548 -3.823 322 HD1 PHE 37 HD2 PHE 37 -12.126 2.217 -5.653 323 HD2 PHE 37 HD1 PHE 37 -10.684 1.355 -1.740 324 HE1 PHE 37 HE2 PHE 37 -13.447 4.086 -4.754 325 HE2 PHE 37 HE1 PHE 37 -12.000 3.226 -0.838 326 HZ PHE 37 HZ PHE 37 -13.383 4.593 -2.342 327 H SER 38 HN SER 38 -10.296 -2.032 -6.039 328 HA SER 38 HA SER 38 -7.503 -2.448 -5.900 329 1HB SER 38 HB2 SER 38 -8.150 -4.785 -6.755 330 2HB SER 38 HB1 SER 38 -8.816 -4.267 -5.207 331 HG SER 38 HG SER 38 -10.768 -4.040 -6.087 332 H ASN 39 HN ASN 39 -9.760 -2.162 -8.616 333 HA ASN 39 HA ASN 39 -8.035 -2.783 -10.712 334 1HB ASN 39 HB2 ASN 39 -10.359 -0.891 -10.494 335 2HB ASN 39 HB1 ASN 39 -9.418 -0.969 -11.978 336 1HD2 ASN 39 HD21 ASN 39 -12.201 -1.650 -11.513 337 2HD2 ASN 39 HD22 ASN 39 -12.377 -3.305 -11.969 338 H VAL 40 HN VAL 40 -8.530 0.296 -9.048 339 HA VAL 40 HA VAL 40 -6.686 1.799 -10.558 340 HB VAL 40 HB VAL 40 -7.528 2.228 -7.680 341 1HG1 VAL 40 HG11 VAL 40 -6.895 4.555 -8.044 342 2HG1 VAL 40 HG12 VAL 40 -6.358 4.163 -9.677 343 3HG1 VAL 40 HG13 VAL 40 -5.516 3.482 -8.284 344 1HG2 VAL 40 HG21 VAL 40 -8.702 3.316 -10.240 345 2HG2 VAL 40 HG22 VAL 40 -9.181 3.791 -8.610 346 3HG2 VAL 40 HG23 VAL 40 -9.456 2.139 -9.165 347 H LEU 41 HN LEU 41 -6.337 0.066 -7.468 348 HA LEU 41 HA LEU 41 -3.650 0.793 -7.017 349 1HB LEU 41 HB2 LEU 41 -5.208 -1.594 -6.036 350 2HB LEU 41 HB1 LEU 41 -3.621 -1.139 -5.445 351 HG LEU 41 HG LEU 41 -6.144 0.504 -5.189 352 1HD1 LEU 41 HD11 LEU 41 -4.525 -0.992 -3.132 353 2HD1 LEU 41 HD12 LEU 41 -6.115 -1.455 -3.739 354 3HD1 LEU 41 HD13 LEU 41 -5.924 0.030 -2.806 355 1HD2 LEU 41 HD21 LEU 41 -4.798 1.995 -3.804 356 2HD2 LEU 41 HD22 LEU 41 -4.164 1.912 -5.448 357 3HD2 LEU 41 HD23 LEU 41 -3.362 1.030 -4.147 358 H SER 42 HN SER 42 -5.068 -1.735 -8.964 359 HA SER 42 HA SER 42 -2.674 -3.284 -9.204 360 1HB SER 42 HB2 SER 42 -5.144 -3.238 -10.956 361 2HB SER 42 HB1 SER 42 -3.883 -4.470 -10.992 362 HG SER 42 HG SER 42 -5.654 -3.857 -8.859 363 H ARG 43 HN ARG 43 -3.573 -0.314 -10.428 364 HA ARG 43 HA ARG 43 -1.576 -0.517 -12.584 365 1HB ARG 43 HB2 ARG 43 -4.068 1.197 -12.495 366 2HB ARG 43 HB1 ARG 43 -2.840 1.272 -13.752 367 1HG ARG 43 HG2 ARG 43 -3.330 -0.972 -14.444 368 2HG ARG 43 HG1 ARG 43 -4.442 -1.185 -13.091 369 1HD ARG 43 HD2 ARG 43 -5.910 0.521 -14.007 370 2HD ARG 43 HD1 ARG 43 -4.778 0.804 -15.331 371 HE ARG 43 HE ARG 43 -5.218 -1.572 -15.969 372 1HH1 ARG 43 HH11 ARG 43 -7.577 0.256 -14.135 373 2HH1 ARG 43 HH12 ARG 43 -8.932 -0.686 -14.696 374 1HH2 ARG 43 HH21 ARG 43 -6.986 -2.783 -16.739 375 2HH2 ARG 43 HH22 ARG 43 -8.589 -2.429 -16.166 376 H LEU 44 HN LEU 44 -1.915 0.474 -9.594 377 HA LEU 44 HA LEU 44 -0.584 3.068 -9.985 378 1HB LEU 44 HB2 LEU 44 -2.733 3.195 -8.786 379 2HB LEU 44 HB1 LEU 44 -2.130 2.060 -7.594 380 HG LEU 44 HG LEU 44 -0.350 3.740 -7.017 381 1HD1 LEU 44 HD11 LEU 44 -0.734 6.059 -7.684 382 2HD1 LEU 44 HD12 LEU 44 -2.058 5.541 -8.727 383 3HD1 LEU 44 HD13 LEU 44 -0.406 5.031 -9.080 384 1HD2 LEU 44 HD21 LEU 44 -3.215 4.607 -6.671 385 2HD2 LEU 44 HD22 LEU 44 -1.847 5.115 -5.681 386 3HD2 LEU 44 HD23 LEU 44 -2.364 3.430 -5.672 387 H TYR 45 HN TYR 45 1.525 2.539 -10.021 388 HA TYR 45 HA TYR 45 2.570 0.598 -8.127 389 1HB TYR 45 HB2 TYR 45 3.724 2.062 -10.482 390 2HB TYR 45 HB1 TYR 45 4.770 1.231 -9.338 391 HD1 TYR 45 HD1 TYR 45 1.683 0.555 -11.348 392 HD2 TYR 45 HD2 TYR 45 5.366 -0.931 -9.825 393 HE1 TYR 45 HE1 TYR 45 1.316 -1.562 -12.542 394 HE2 TYR 45 HE2 TYR 45 5.013 -3.050 -11.016 395 HH TYR 45 HH TYR 45 2.393 -3.465 -13.302 396 H VAL 46 HN VAL 46 2.913 1.304 -6.138 397 HA VAL 46 HA VAL 46 3.760 4.039 -5.653 398 HB VAL 46 HB VAL 46 2.125 3.148 -4.110 399 1HG1 VAL 46 HG11 VAL 46 2.626 0.774 -4.322 400 2HG1 VAL 46 HG12 VAL 46 2.597 1.263 -2.628 401 3HG1 VAL 46 HG13 VAL 46 4.139 1.004 -3.446 402 1HG2 VAL 46 HG21 VAL 46 3.726 4.725 -3.193 403 2HG2 VAL 46 HG22 VAL 46 4.824 3.406 -2.790 404 3HG2 VAL 46 HG23 VAL 46 3.266 3.538 -1.973 405 H GLY 47 HN GLY 47 5.838 4.616 -5.561 406 1HA GLY 47 HA2 GLY 47 7.777 2.415 -5.207 407 2HA GLY 47 HA1 GLY 47 8.006 3.720 -6.359 408 H VAL 48 HN VAL 48 6.885 3.962 -3.042 409 HA VAL 48 HA VAL 48 9.434 5.259 -2.356 410 HB VAL 48 HB VAL 48 6.739 6.069 -1.246 411 1HG1 VAL 48 HG11 VAL 48 9.485 7.270 -0.900 412 2HG1 VAL 48 HG12 VAL 48 8.549 6.423 0.331 413 3HG1 VAL 48 HG13 VAL 48 7.985 7.972 -0.296 414 1HG2 VAL 48 HG21 VAL 48 8.474 7.482 -3.270 415 2HG2 VAL 48 HG22 VAL 48 7.011 8.137 -2.534 416 3HG2 VAL 48 HG23 VAL 48 6.912 6.723 -3.584 417 HA PRO 49 HA PRO 49 9.064 1.534 0.395 418 1HB PRO 49 HB2 PRO 49 11.904 2.433 0.621 419 2HB PRO 49 HB1 PRO 49 11.249 0.794 0.502 420 1HG PRO 49 HG2 PRO 49 12.380 1.937 -1.609 421 2HG PRO 49 HG1 PRO 49 10.915 0.953 -1.792 422 1HD PRO 49 HD2 PRO 49 11.229 3.913 -1.860 423 2HD PRO 49 HD1 PRO 49 10.124 2.878 -2.776 424 H THR 50 HN THR 50 8.213 1.951 2.320 425 HA THR 50 HA THR 50 9.351 4.086 3.981 426 HB THR 50 HB THR 50 6.674 4.238 4.500 427 HG1 THR 50 HG1 THR 50 6.954 4.062 1.666 428 1HG2 THR 50 HG21 THR 50 6.746 6.387 3.321 429 2HG2 THR 50 HG22 THR 50 8.230 5.893 2.506 430 3HG2 THR 50 HG23 THR 50 8.221 6.130 4.253 431 H LYS 51 HN LYS 51 7.762 4.070 6.084 432 HA LYS 51 HA LYS 51 7.965 1.378 7.208 433 1HB LYS 51 HB2 LYS 51 7.280 3.997 8.565 434 2HB LYS 51 HB1 LYS 51 7.644 2.475 9.361 435 1HG LYS 51 HG2 LYS 51 9.706 3.612 7.558 436 2HG LYS 51 HG1 LYS 51 9.432 4.408 9.105 437 1HD LYS 51 HD2 LYS 51 11.183 2.827 9.422 438 2HD LYS 51 HD1 LYS 51 9.744 2.180 10.207 439 1HE LYS 51 HE2 LYS 51 9.345 0.722 8.296 440 2HE LYS 51 HE1 LYS 51 10.755 1.392 7.476 441 1HZ LYS 51 HZ1 LYS 51 11.222 -0.743 8.563 442 2HZ LYS 51 HZ2 LYS 51 10.831 -0.068 10.069 443 3HZ LYS 51 HZ3 LYS 51 12.166 0.513 9.200 444 H SER 52 HN SER 52 5.988 1.322 9.062 445 HA SER 52 HA SER 52 3.663 0.857 7.477 446 1HB SER 52 HB2 SER 52 2.694 0.535 9.929 447 2HB SER 52 HB1 SER 52 3.766 -0.661 9.200 448 HG SER 52 HG SER 52 4.825 1.483 10.705 449 H GLY 53 HN GLY 53 1.851 2.056 7.217 450 1HA GLY 53 HA2 GLY 53 0.234 3.642 7.883 451 2HA GLY 53 HA1 GLY 53 1.414 4.351 8.978 452 H ASN 54 HN ASN 54 2.178 3.573 5.661 453 HA ASN 54 HA ASN 54 2.567 6.433 5.152 454 1HB ASN 54 HB2 ASN 54 3.803 5.760 3.149 455 2HB ASN 54 HB1 ASN 54 4.433 4.932 4.566 456 1HD2 ASN 54 HD21 ASN 54 4.311 2.722 4.687 457 2HD2 ASN 54 HD22 ASN 54 3.770 1.737 3.373 458 H VAL 55 HN VAL 55 1.344 7.598 3.749 459 HA VAL 55 HA VAL 55 -1.091 6.284 2.826 460 HB VAL 55 HB VAL 55 -0.383 9.221 2.683 461 1HG1 VAL 55 HG11 VAL 55 -2.800 9.527 2.379 462 2HG1 VAL 55 HG12 VAL 55 -3.010 7.776 2.357 463 3HG1 VAL 55 HG13 VAL 55 -2.088 8.571 1.080 464 1HG2 VAL 55 HG21 VAL 55 -1.831 9.494 4.629 465 2HG2 VAL 55 HG22 VAL 55 -0.460 8.448 5.002 466 3HG2 VAL 55 HG23 VAL 55 -2.057 7.748 4.714 467 H VAL 56 HN VAL 56 -0.866 5.246 0.966 468 HA VAL 56 HA VAL 56 0.861 6.124 -1.142 469 HB VAL 56 HB VAL 56 -1.364 4.073 -1.236 470 1HG1 VAL 56 HG11 VAL 56 -0.712 4.816 -3.453 471 2HG1 VAL 56 HG12 VAL 56 -0.140 3.172 -3.171 472 3HG1 VAL 56 HG13 VAL 56 0.986 4.525 -3.075 473 1HG2 VAL 56 HG21 VAL 56 0.269 3.499 0.468 474 2HG2 VAL 56 HG22 VAL 56 1.582 3.712 -0.690 475 3HG2 VAL 56 HG23 VAL 56 0.413 2.409 -0.911 476 H CYS 57 HN CYS 57 -2.648 6.058 -0.642 477 HA CYS 57 HA CYS 57 -2.916 8.011 -2.836 478 1HB CYS 57 HB2 CYS 57 -5.153 6.193 -1.994 479 2HB CYS 57 HB1 CYS 57 -4.907 7.011 -3.536 480 HG CYS 57 HG CYS 57 -2.654 5.327 -4.152 481 H LYS 58 HN LYS 58 -2.978 9.887 -1.678 482 HA LYS 58 HA LYS 58 -4.514 10.153 0.736 483 1HB LYS 58 HB2 LYS 58 -3.399 12.350 -1.025 484 2HB LYS 58 HB1 LYS 58 -3.918 12.506 0.647 485 1HG LYS 58 HG2 LYS 58 -2.099 10.951 1.297 486 2HG LYS 58 HG1 LYS 58 -1.540 10.969 -0.375 487 1HD LYS 58 HD2 LYS 58 -1.286 13.431 -0.210 488 2HD LYS 58 HD1 LYS 58 -1.725 13.327 1.495 489 1HE LYS 58 HE2 LYS 58 0.659 13.426 1.348 490 2HE LYS 58 HE1 LYS 58 0.209 11.792 1.830 491 1HZ LYS 58 HZ1 LYS 58 1.935 11.794 0.135 492 2HZ LYS 58 HZ2 LYS 58 0.921 12.638 -0.927 493 3HZ LYS 58 HZ3 LYS 58 0.522 11.062 -0.450 494 H ASN 59 HN ASN 59 -6.663 9.978 0.589 495 HA ASN 59 HA ASN 59 -8.788 9.972 -0.266 496 1HB ASN 59 HB2 ASN 59 -7.936 12.644 -1.425 497 2HB ASN 59 HB1 ASN 59 -9.594 12.076 -1.285 498 1HD2 ASN 59 HD21 ASN 59 -10.637 12.243 0.650 499 2HD2 ASN 59 HD22 ASN 59 -9.967 13.034 2.035 500 H ILE 60 HN ILE 60 -8.222 8.179 -1.616 501 HA ILE 60 HA ILE 60 -6.865 8.219 -3.984 502 HB ILE 60 HB ILE 60 -7.379 6.126 -2.986 503 1HG1 ILE 60 HG12 ILE 60 -8.839 6.301 -5.631 504 2HG1 ILE 60 HG11 ILE 60 -7.098 6.127 -5.435 505 1HG2 ILE 60 HG21 ILE 60 -10.290 6.656 -3.556 506 2HG2 ILE 60 HG22 ILE 60 -9.519 6.671 -1.970 507 3HG2 ILE 60 HG23 ILE 60 -9.621 5.169 -2.888 508 1HD1 ILE 60 HD11 ILE 60 -8.117 4.007 -5.991 509 2HD1 ILE 60 HD12 ILE 60 -9.189 4.132 -4.597 510 3HD1 ILE 60 HD13 ILE 60 -7.450 3.955 -4.359 511 H MET 61 HN MET 61 -10.424 8.478 -3.722 512 HA MET 61 HA MET 61 -10.372 10.111 -6.140 513 1HB MET 61 HB2 MET 61 -11.998 7.597 -5.793 514 2HB MET 61 HB1 MET 61 -12.490 8.868 -6.906 515 1HG MET 61 HG2 MET 61 -10.411 8.627 -8.134 516 2HG MET 61 HG1 MET 61 -9.861 7.399 -6.996 517 1HE MET 61 HE1 MET 61 -10.948 4.996 -6.771 518 2HE MET 61 HE2 MET 61 -12.376 4.482 -7.672 519 3HE MET 61 HE3 MET 61 -12.509 5.757 -6.460 520 H ASN 62 HN ASN 62 -10.554 11.284 -3.843 521 HA ASN 62 HA ASN 62 -11.763 12.736 -2.567 522 1HB ASN 62 HB2 ASN 62 -12.548 13.285 -4.987 523 2HB ASN 62 HB1 ASN 62 -14.037 12.470 -4.525 524 1HD2 ASN 62 HD21 ASN 62 -12.028 15.255 -4.058 525 2HD2 ASN 62 HD22 ASN 62 -13.183 16.197 -3.183 526 H THR 63 HN THR 63 -12.001 9.866 -2.118 527 HA THR 63 HA THR 63 -14.751 9.302 -1.462 528 HB THR 63 HB THR 63 -13.834 7.128 -0.662 529 HG1 THR 63 HG1 THR 63 -11.665 6.766 -0.711 530 1HG2 THR 63 HG21 THR 63 -14.481 7.422 -3.015 531 2HG2 THR 63 HG22 THR 63 -13.113 6.322 -2.857 532 3HG2 THR 63 HG23 THR 63 -12.852 7.984 -3.388 533 H GLY 64 HN GLY 64 -12.050 10.644 0.134 534 1HA GLY 64 HA2 GLY 64 -11.976 11.529 2.304 535 2HA GLY 64 HA1 GLY 64 -13.451 10.646 2.681 536 H VAL 65 HN VAL 65 -11.483 8.542 1.140 537 HA VAL 65 HA VAL 65 -10.364 7.522 3.669 538 HB VAL 65 HB VAL 65 -11.229 6.012 1.185 539 1HG1 VAL 65 HG11 VAL 65 -10.570 3.975 2.337 540 2HG1 VAL 65 HG12 VAL 65 -9.964 4.921 3.696 541 3HG1 VAL 65 HG13 VAL 65 -9.180 5.038 2.120 542 1HG2 VAL 65 HG21 VAL 65 -12.246 5.949 4.020 543 2HG2 VAL 65 HG22 VAL 65 -12.815 4.929 2.699 544 3HG2 VAL 65 HG23 VAL 65 -13.066 6.675 2.638 545 H ASP 66 HN ASP 66 -8.243 7.407 3.828 546 HA ASP 66 HA ASP 66 -6.582 7.811 1.461 547 1HB ASP 66 HB2 ASP 66 -5.786 7.699 4.380 548 2HB ASP 66 HB1 ASP 66 -4.742 8.149 3.035 549 H ILE 67 HN ILE 67 -5.341 6.238 0.620 550 HA ILE 67 HA ILE 67 -5.689 3.565 1.750 551 HB ILE 67 HB ILE 67 -4.492 4.392 -0.901 552 1HG1 ILE 67 HG12 ILE 67 -6.870 4.880 -0.824 553 2HG1 ILE 67 HG11 ILE 67 -6.592 3.481 -1.855 554 1HG2 ILE 67 HG21 ILE 67 -3.572 2.279 -0.127 555 2HG2 ILE 67 HG22 ILE 67 -4.656 2.018 -1.493 556 3HG2 ILE 67 HG23 ILE 67 -5.199 1.653 0.145 557 1HD1 ILE 67 HD11 ILE 67 -7.594 3.425 0.986 558 2HD1 ILE 67 HD12 ILE 67 -7.293 2.010 -0.024 559 3HD1 ILE 67 HD13 ILE 67 -8.552 3.162 -0.473 560 H ILE 68 HN ILE 68 -4.243 2.984 3.206 561 HA ILE 68 HA ILE 68 -1.521 4.084 2.993 562 HB ILE 68 HB ILE 68 -1.345 3.570 5.444 563 1HG1 ILE 68 HG12 ILE 68 -4.343 3.222 5.210 564 2HG1 ILE 68 HG11 ILE 68 -3.192 1.937 5.560 565 1HG2 ILE 68 HG21 ILE 68 -3.464 5.539 4.607 566 2HG2 ILE 68 HG22 ILE 68 -1.723 5.822 4.642 567 3HG2 ILE 68 HG23 ILE 68 -2.602 5.546 6.146 568 1HD1 ILE 68 HD11 ILE 68 -2.592 3.034 7.646 569 2HD1 ILE 68 HD12 ILE 68 -4.324 2.705 7.570 570 3HD1 ILE 68 HD13 ILE 68 -3.722 4.340 7.292 571 H CYS 69 HN CYS 69 0.232 2.768 3.068 572 HA CYS 69 HA CYS 69 -0.253 -0.109 3.069 573 1HB CYS 69 HB2 CYS 69 1.251 0.788 1.339 574 2HB CYS 69 HB1 CYS 69 2.307 1.437 2.590 575 HG CYS 69 HG CYS 69 1.668 -1.897 2.159 576 H THR 70 HN THR 70 0.600 -1.486 4.620 577 HA THR 70 HA THR 70 1.387 -0.092 7.093 578 HB THR 70 HB THR 70 -0.844 -1.144 7.197 579 HG1 THR 70 HG1 THR 70 0.973 -2.630 8.811 580 1HG2 THR 70 HG21 THR 70 -1.047 -3.598 7.194 581 2HG2 THR 70 HG22 THR 70 0.649 -3.726 6.723 582 3HG2 THR 70 HG23 THR 70 -0.517 -2.975 5.632 583 H LYS 71 HN LYS 71 2.765 -1.747 4.709 584 HA LYS 71 HA LYS 71 4.329 -3.530 6.424 585 1HB LYS 71 HB2 LYS 71 3.410 -4.387 4.251 586 2HB LYS 71 HB1 LYS 71 4.469 -3.256 3.416 587 1HG LYS 71 HG2 LYS 71 6.419 -4.346 4.335 588 2HG LYS 71 HG1 LYS 71 5.400 -5.429 5.281 589 1HD LYS 71 HD2 LYS 71 4.434 -6.256 3.120 590 2HD LYS 71 HD1 LYS 71 5.667 -5.308 2.284 591 1HE LYS 71 HE2 LYS 71 6.389 -7.615 2.517 592 2HE LYS 71 HE1 LYS 71 7.416 -6.546 3.473 593 1HZ LYS 71 HZ1 LYS 71 6.038 -7.150 5.429 594 2HZ LYS 71 HZ2 LYS 71 6.905 -8.451 4.778 595 3HZ LYS 71 HZ3 LYS 71 5.242 -8.304 4.472 596 H ASN 72 HN ASN 72 6.498 -3.305 6.730 597 HA ASN 72 HA ASN 72 7.526 -0.626 6.173 598 1HB ASN 72 HB2 ASN 72 8.572 -2.806 7.997 599 2HB ASN 72 HB1 ASN 72 9.329 -1.234 7.789 600 1HD2 ASN 72 HD21 ASN 72 5.884 -2.037 8.095 601 2HD2 ASN 72 HD22 ASN 72 5.628 -1.123 9.542 602 H LEU 73 HN LEU 73 8.693 -0.355 4.377 603 HA LEU 73 HA LEU 73 9.873 -2.716 3.126 604 1HB LEU 73 HB2 LEU 73 9.559 0.121 2.178 605 2HB LEU 73 HB1 LEU 73 10.460 -1.084 1.281 606 HG LEU 73 HG LEU 73 8.196 -2.434 1.470 607 1HD1 LEU 73 HD11 LEU 73 7.051 -0.809 2.872 608 2HD1 LEU 73 HD12 LEU 73 6.261 -0.960 1.301 609 3HD1 LEU 73 HD13 LEU 73 7.289 0.431 1.641 610 1HD2 LEU 73 HD21 LEU 73 8.654 -0.156 -0.446 611 2HD2 LEU 73 HD22 LEU 73 7.553 -1.510 -0.700 612 3HD2 LEU 73 HD23 LEU 73 9.291 -1.793 -0.598 613 HA PRO 74 HA PRO 74 13.988 -1.483 4.393 614 1HB PRO 74 HB2 PRO 74 15.200 -3.785 3.709 615 2HB PRO 74 HB1 PRO 74 14.214 -3.646 5.167 616 1HG PRO 74 HG2 PRO 74 13.596 -4.964 2.585 617 2HG PRO 74 HG1 PRO 74 13.028 -5.356 4.216 618 1HD PRO 74 HD2 PRO 74 11.623 -3.918 2.227 619 2HD PRO 74 HD1 PRO 74 11.163 -4.114 3.928 620 H LYS 75 HN LYS 75 14.539 0.072 2.917 621 HA LYS 75 HA LYS 75 14.858 -0.688 0.118 622 1HB LYS 75 HB2 LYS 75 15.079 1.748 -0.289 623 2HB LYS 75 HB1 LYS 75 13.571 1.311 0.501 624 1HG LYS 75 HG2 LYS 75 14.507 2.016 2.656 625 2HG LYS 75 HG1 LYS 75 16.002 2.482 1.842 626 1HD LYS 75 HD2 LYS 75 13.274 3.637 1.269 627 2HD LYS 75 HD1 LYS 75 14.511 4.401 2.267 628 1HE LYS 75 HE2 LYS 75 14.754 3.726 -0.662 629 2HE LYS 75 HE1 LYS 75 14.498 5.333 0.014 630 1HZ LYS 75 HZ1 LYS 75 16.656 4.949 1.252 631 2HZ LYS 75 HZ2 LYS 75 16.774 5.197 -0.423 632 3HZ LYS 75 HZ3 LYS 75 16.912 3.632 0.213 633 H ASP 76 HN ASP 76 16.761 0.465 2.827 634 HA ASP 76 HA ASP 76 19.119 0.888 1.249 635 1HB ASP 76 HB2 ASP 76 18.689 2.115 3.381 636 2HB ASP 76 HB1 ASP 76 18.912 0.603 4.256 637 H SER 77 HN SER 77 20.461 -0.619 0.542 638 HA SER 77 HA SER 77 20.697 -3.113 2.047 639 1HB SER 77 HB2 SER 77 20.146 -2.986 -0.927 640 2HB SER 77 HB1 SER 77 20.501 -4.452 -0.011 641 HG SER 77 HG SER 77 18.263 -2.729 0.293 642 H LEU 78 HN LEU 78 22.734 -2.177 2.662 643 HA LEU 78 HA LEU 78 24.770 -2.071 0.591 644 1HB LEU 78 HB2 LEU 78 24.898 -1.754 3.587 645 2HB LEU 78 HB1 LEU 78 26.324 -1.755 2.564 646 HG LEU 78 HG LEU 78 24.057 0.232 2.397 647 1HD1 LEU 78 HD11 LEU 78 26.870 0.528 3.441 648 2HD1 LEU 78 HD12 LEU 78 25.400 0.510 4.416 649 3HD1 LEU 78 HD13 LEU 78 25.687 1.825 3.276 650 1HD2 LEU 78 HD21 LEU 78 25.505 1.421 0.833 651 2HD2 LEU 78 HD22 LEU 78 25.116 -0.191 0.230 652 3HD2 LEU 78 HD23 LEU 78 26.699 0.128 0.941 653 H GLU 79 HN GLU 79 24.290 -4.256 -0.085 654 HA GLU 79 HA GLU 79 25.004 -6.396 1.741 655 1HB GLU 79 HB2 GLU 79 24.032 -6.434 -1.116 656 2HB GLU 79 HB1 GLU 79 24.366 -7.871 -0.160 657 1HG GLU 79 HG2 GLU 79 22.642 -7.190 1.441 658 2HG GLU 79 HG1 GLU 79 22.288 -5.781 0.439 659 H HIS 80 HN HIS 80 26.818 -7.557 1.691 660 HA HIS 80 HA HIS 80 28.748 -6.966 -0.456 661 1HB HIS 80 HB2 HIS 80 29.288 -7.737 2.420 662 2HB HIS 80 HB1 HIS 80 30.524 -7.576 1.177 663 HD1 HIS 80 HD1 HIS 80 28.389 -5.611 3.489 664 HD2 HIS 80 HD2 HIS 80 31.068 -4.906 0.387 665 HE1 HIS 80 HE1 HIS 80 28.938 -3.161 3.609 666 HE2 HIS 80 HE2 HIS 80 30.712 -2.805 1.857 667 H HIS 81 HN HIS 81 28.011 -8.593 -1.787 668 HA HIS 81 HA HIS 81 27.897 -11.318 -0.799 669 1HB HIS 81 HB2 HIS 81 27.505 -10.130 -3.560 670 2HB HIS 81 HB1 HIS 81 27.411 -11.856 -3.226 671 HD1 HIS 81 HD1 HIS 81 25.115 -12.677 -2.824 672 HD2 HIS 81 HD2 HIS 81 25.507 -8.656 -1.837 673 HE1 HIS 81 HE1 HIS 81 22.815 -11.916 -2.152 674 HE2 HIS 81 HE2 HIS 81 23.118 -9.546 -1.356 675 H HIS 82 HN HIS 82 29.634 -12.567 -0.663 676 HA HIS 82 HA HIS 82 32.156 -11.533 -1.467 677 1HB HIS 82 HB2 HIS 82 33.079 -13.685 -0.568 678 2HB HIS 82 HB1 HIS 82 32.110 -12.764 0.570 679 HD1 HIS 82 HD1 HIS 82 29.901 -13.821 1.382 680 HD2 HIS 82 HD2 HIS 82 32.021 -16.174 -1.318 681 HE1 HIS 82 HE1 HIS 82 28.856 -16.103 1.501 682 HE2 HIS 82 HE2 HIS 82 30.293 -17.557 0.024 683 H HIS 83 HN HIS 83 32.695 -11.444 -3.480 684 HA HIS 83 HA HIS 83 33.226 -13.775 -5.008 685 1HB HIS 83 HB2 HIS 83 30.739 -13.524 -5.378 686 2HB HIS 83 HB1 HIS 83 31.064 -11.955 -6.108 687 HD1 HIS 83 HD1 HIS 83 31.955 -11.935 -8.525 688 HD2 HIS 83 HD2 HIS 83 31.553 -15.751 -6.909 689 HE1 HIS 83 HE1 HIS 83 32.272 -13.525 -10.442 690 HE2 HIS 83 HE2 HIS 83 32.235 -15.819 -9.401 691 H HIS 84 HN HIS 84 35.032 -13.254 -6.134 692 HA HIS 84 HA HIS 84 35.705 -10.453 -6.373 693 1HB HIS 84 HB2 HIS 84 37.852 -11.211 -7.330 694 2HB HIS 84 HB1 HIS 84 37.516 -11.935 -5.770 695 HD1 HIS 84 HD1 HIS 84 37.265 -14.487 -5.674 696 HD2 HIS 84 HD2 HIS 84 37.911 -13.004 -9.511 697 HE1 HIS 84 HE1 HIS 84 37.863 -16.480 -7.083 698 HE2 HIS 84 HE2 HIS 84 38.020 -15.588 -9.429 699 H HIS 85 HN HIS 85 34.750 -9.327 -7.835 700 HA HIS 85 HA HIS 85 33.872 -8.584 -9.780 701 1HB HIS 85 HB2 HIS 85 36.260 -9.134 -10.502 702 2HB HIS 85 HB1 HIS 85 35.608 -10.620 -11.182 703 HD1 HIS 85 HD1 HIS 85 35.508 -6.886 -11.622 704 HD2 HIS 85 HD2 HIS 85 34.326 -10.335 -13.625 705 HE1 HIS 85 HE1 HIS 85 34.823 -6.135 -13.925 706 HE2 HIS 85 HE2 HIS 85 34.336 -8.264 -15.179 Start of MODEL 6 1 1H MET 1 HT1 MET 1 -25.395 1.538 6.719 2 2H MET 1 HT2 MET 1 -26.163 1.575 5.211 3 3H MET 1 HT3 MET 1 -24.528 2.005 5.338 4 HA MET 1 HA MET 1 -25.651 -0.678 5.876 5 1HB MET 1 HB2 MET 1 -24.024 0.378 3.555 6 2HB MET 1 HB1 MET 1 -24.312 -1.330 3.857 7 1HG MET 1 HG2 MET 1 -26.739 -0.919 3.652 8 2HG MET 1 HG1 MET 1 -26.390 0.760 3.248 9 1HE MET 1 HE1 MET 1 -26.045 -2.982 2.143 10 2HE MET 1 HE2 MET 1 -24.364 -2.447 2.166 11 3HE MET 1 HE3 MET 1 -25.144 -2.834 0.633 12 H HIS 2 HN HIS 2 -23.658 -2.263 5.639 13 HA HIS 2 HA HIS 2 -21.896 -1.472 7.790 14 1HB HIS 2 HB2 HIS 2 -22.051 -4.070 6.238 15 2HB HIS 2 HB1 HIS 2 -21.056 -3.800 7.663 16 HD1 HIS 2 HD1 HIS 2 -22.570 -3.073 9.877 17 HD2 HIS 2 HD2 HIS 2 -24.459 -5.136 6.797 18 HE1 HIS 2 HE1 HIS 2 -24.643 -4.075 10.899 19 HE2 HIS 2 HE2 HIS 2 -25.777 -5.321 9.019 20 H LYS 3 HN LYS 3 -20.181 -0.268 7.317 21 HA LYS 3 HA LYS 3 -18.775 -0.609 4.802 22 1HB LYS 3 HB2 LYS 3 -18.467 1.301 7.109 23 2HB LYS 3 HB1 LYS 3 -17.250 1.177 5.851 24 1HG LYS 3 HG2 LYS 3 -18.987 1.744 4.178 25 2HG LYS 3 HG1 LYS 3 -20.119 2.011 5.508 26 1HD LYS 3 HD2 LYS 3 -18.944 3.865 6.298 27 2HD LYS 3 HD1 LYS 3 -17.464 3.403 5.459 28 1HE LYS 3 HE2 LYS 3 -18.363 5.284 4.319 29 2HE LYS 3 HE1 LYS 3 -18.641 3.874 3.302 30 1HZ LYS 3 HZ1 LYS 3 -20.925 3.844 3.914 31 2HZ LYS 3 HZ2 LYS 3 -20.550 5.439 3.480 32 3HZ LYS 3 HZ3 LYS 3 -20.695 5.018 5.118 33 H ASP 4 HN ASP 4 -16.908 -1.670 4.534 34 HA ASP 4 HA ASP 4 -15.753 -3.008 6.892 35 1HB ASP 4 HB2 ASP 4 -15.030 -4.779 5.406 36 2HB ASP 4 HB1 ASP 4 -16.748 -4.497 5.156 37 H ILE 5 HN ILE 5 -13.339 -3.719 6.211 38 HA ILE 5 HA ILE 5 -11.995 -1.210 5.545 39 HB ILE 5 HB ILE 5 -11.030 -3.617 7.087 40 1HG1 ILE 5 HG12 ILE 5 -12.424 -2.026 8.331 41 2HG1 ILE 5 HG11 ILE 5 -10.760 -2.000 8.910 42 1HG2 ILE 5 HG21 ILE 5 -9.425 -1.198 6.260 43 2HG2 ILE 5 HG22 ILE 5 -9.219 -2.838 5.647 44 3HG2 ILE 5 HG23 ILE 5 -8.881 -2.484 7.340 45 1HD1 ILE 5 HD11 ILE 5 -10.351 0.032 7.596 46 2HD1 ILE 5 HD12 ILE 5 -11.646 0.241 8.779 47 3HD1 ILE 5 HD13 ILE 5 -12.037 0.015 7.073 48 H PHE 6 HN PHE 6 -11.288 -1.045 3.555 49 HA PHE 6 HA PHE 6 -10.965 -3.354 1.874 50 1HB PHE 6 HB2 PHE 6 -11.874 -1.304 0.918 51 2HB PHE 6 HB1 PHE 6 -10.420 -0.418 1.364 52 HD1 PHE 6 HD1 PHE 6 -11.724 -3.103 -0.814 53 HD2 PHE 6 HD2 PHE 6 -8.538 -0.392 -0.038 54 HE1 PHE 6 HE1 PHE 6 -10.726 -3.661 -2.988 55 HE2 PHE 6 HE2 PHE 6 -7.537 -0.945 -2.214 56 HZ PHE 6 HZ PHE 6 -8.629 -2.583 -3.692 57 H THR 7 HN THR 7 -9.188 -4.512 1.693 58 HA THR 7 HA THR 7 -6.590 -3.211 1.948 59 HB THR 7 HB THR 7 -6.944 -4.113 4.165 60 HG1 THR 7 HG1 THR 7 -4.857 -4.418 3.020 61 1HG2 THR 7 HG21 THR 7 -7.331 -6.491 4.570 62 2HG2 THR 7 HG22 THR 7 -7.430 -6.779 2.833 63 3HG2 THR 7 HG23 THR 7 -8.649 -5.788 3.634 64 H SER 8 HN SER 8 -5.071 -4.020 0.564 65 HA SER 8 HA SER 8 -5.476 -6.541 -0.806 66 1HB SER 8 HB2 SER 8 -5.477 -3.925 -2.347 67 2HB SER 8 HB1 SER 8 -5.479 -5.538 -3.058 68 HG SER 8 HG SER 8 -7.480 -5.468 -1.353 69 H VAL 9 HN VAL 9 -3.639 -6.662 -2.615 70 HA VAL 9 HA VAL 9 -1.217 -5.511 -1.403 71 HB VAL 9 HB VAL 9 -1.258 -7.957 -1.338 72 1HG1 VAL 9 HG11 VAL 9 -2.654 -8.417 -3.262 73 2HG1 VAL 9 HG12 VAL 9 -1.123 -9.281 -3.394 74 3HG1 VAL 9 HG13 VAL 9 -1.396 -7.819 -4.343 75 1HG2 VAL 9 HG21 VAL 9 0.889 -6.823 -1.537 76 2HG2 VAL 9 HG22 VAL 9 0.769 -6.888 -3.296 77 3HG2 VAL 9 HG23 VAL 9 0.912 -8.378 -2.365 78 H VAL 10 HN VAL 10 0.021 -4.168 -2.585 79 HA VAL 10 HA VAL 10 -0.700 -3.837 -5.427 80 HB VAL 10 HB VAL 10 -1.417 -1.947 -3.925 81 1HG1 VAL 10 HG11 VAL 10 1.550 -1.508 -3.653 82 2HG1 VAL 10 HG12 VAL 10 0.424 -1.939 -2.364 83 3HG1 VAL 10 HG13 VAL 10 0.299 -0.369 -3.159 84 1HG2 VAL 10 HG21 VAL 10 0.586 -1.292 -6.080 85 2HG2 VAL 10 HG22 VAL 10 -0.586 -0.160 -5.403 86 3HG2 VAL 10 HG23 VAL 10 -1.141 -1.575 -6.299 87 H ARG 11 HN ARG 11 1.046 -3.035 -6.805 88 HA ARG 11 HA ARG 11 3.499 -4.437 -6.214 89 1HB ARG 11 HB2 ARG 11 2.747 -2.777 -8.632 90 2HB ARG 11 HB1 ARG 11 4.128 -3.858 -8.506 91 1HG ARG 11 HG2 ARG 11 2.658 -5.772 -8.312 92 2HG ARG 11 HG1 ARG 11 1.246 -4.714 -8.335 93 1HD ARG 11 HD2 ARG 11 1.940 -3.936 -10.593 94 2HD ARG 11 HD1 ARG 11 3.232 -5.135 -10.565 95 HE ARG 11 HE ARG 11 1.374 -6.822 -10.322 96 1HH1 ARG 11 HH11 ARG 11 0.931 -3.753 -11.955 97 2HH1 ARG 11 HH12 ARG 11 -0.403 -4.309 -12.913 98 1HH2 ARG 11 HH21 ARG 11 -0.367 -7.564 -11.636 99 2HH2 ARG 11 HH22 ARG 11 -1.122 -6.461 -12.750 100 H VAL 12 HN VAL 12 5.336 -3.559 -5.488 101 HA VAL 12 HA VAL 12 5.313 -0.746 -4.772 102 HB VAL 12 HB VAL 12 7.618 -2.630 -4.305 103 1HG1 VAL 12 HG11 VAL 12 6.577 -0.255 -2.777 104 2HG1 VAL 12 HG12 VAL 12 7.993 -0.277 -3.829 105 3HG1 VAL 12 HG13 VAL 12 7.985 -1.221 -2.339 106 1HG2 VAL 12 HG21 VAL 12 6.618 -3.224 -2.135 107 2HG2 VAL 12 HG22 VAL 12 5.660 -3.810 -3.497 108 3HG2 VAL 12 HG23 VAL 12 5.143 -2.381 -2.602 109 H ARG 13 HN ARG 13 6.391 0.821 -5.812 110 HA ARG 13 HA ARG 13 8.084 0.026 -8.085 111 1HB ARG 13 HB2 ARG 13 6.094 1.321 -8.686 112 2HB ARG 13 HB1 ARG 13 6.561 2.590 -7.566 113 1HG ARG 13 HG2 ARG 13 8.437 3.187 -8.904 114 2HG ARG 13 HG1 ARG 13 8.212 1.781 -9.945 115 1HD ARG 13 HD2 ARG 13 7.401 3.806 -11.015 116 2HD ARG 13 HD1 ARG 13 6.081 2.681 -10.711 117 HE ARG 13 HE ARG 13 5.204 4.147 -9.125 118 1HH1 ARG 13 HH11 ARG 13 8.259 5.329 -10.381 119 2HH1 ARG 13 HH12 ARG 13 8.026 6.947 -9.798 120 1HH2 ARG 13 HH21 ARG 13 4.885 6.295 -8.361 121 2HH2 ARG 13 HH22 ARG 13 6.099 7.503 -8.676 122 H GLY 14 HN GLY 14 10.065 1.219 -8.483 123 1HA GLY 14 HA2 GLY 14 11.560 3.019 -7.854 124 2HA GLY 14 HA1 GLY 14 10.974 2.860 -6.206 125 H SER 15 HN SER 15 13.570 2.936 -6.359 126 HA SER 15 HA SER 15 14.752 0.350 -6.790 127 1HB SER 15 HB2 SER 15 16.827 1.485 -5.894 128 2HB SER 15 HB1 SER 15 16.119 2.233 -7.325 129 HG SER 15 HG SER 15 15.182 3.803 -5.988 130 H LYS 16 HN LYS 16 14.226 -1.188 -5.432 131 HA LYS 16 HA LYS 16 15.097 -1.079 -2.718 132 1HB LYS 16 HB2 LYS 16 12.727 -1.891 -1.932 133 2HB LYS 16 HB1 LYS 16 13.093 -0.178 -2.014 134 1HG LYS 16 HG2 LYS 16 10.851 -0.793 -2.877 135 2HG LYS 16 HG1 LYS 16 11.856 0.063 -4.043 136 1HD LYS 16 HD2 LYS 16 12.310 -1.947 -5.241 137 2HD LYS 16 HD1 LYS 16 11.583 -2.937 -3.970 138 1HE LYS 16 HE2 LYS 16 9.423 -2.221 -4.491 139 2HE LYS 16 HE1 LYS 16 10.006 -0.850 -5.435 140 1HZ LYS 16 HZ1 LYS 16 10.387 -3.692 -6.212 141 2HZ LYS 16 HZ2 LYS 16 10.732 -2.320 -7.151 142 3HZ LYS 16 HZ3 LYS 16 9.126 -2.707 -6.778 143 H LYS 17 HN LYS 17 14.067 -3.269 -1.641 144 HA LYS 17 HA LYS 17 14.430 -5.366 -3.669 145 1HB LYS 17 HB2 LYS 17 15.520 -5.124 -0.885 146 2HB LYS 17 HB1 LYS 17 15.274 -6.716 -1.601 147 1HG LYS 17 HG2 LYS 17 16.750 -6.214 -3.410 148 2HG LYS 17 HG1 LYS 17 16.869 -4.528 -2.914 149 1HD LYS 17 HD2 LYS 17 17.750 -6.778 -1.132 150 2HD LYS 17 HD1 LYS 17 18.816 -6.082 -2.352 151 1HE LYS 17 HE2 LYS 17 18.285 -3.826 -1.282 152 2HE LYS 17 HE1 LYS 17 17.608 -4.755 0.056 153 1HZ LYS 17 HZ1 LYS 17 20.401 -4.932 -0.942 154 2HZ LYS 17 HZ2 LYS 17 19.753 -5.841 0.337 155 3HZ LYS 17 HZ3 LYS 17 19.903 -4.158 0.482 156 H TYR 18 HN TYR 18 11.962 -4.249 -3.063 157 HA TYR 18 HA TYR 18 10.589 -6.639 -2.064 158 1HB TYR 18 HB2 TYR 18 10.218 -3.830 -1.225 159 2HB TYR 18 HB1 TYR 18 8.734 -4.710 -1.577 160 HD1 TYR 18 HD1 TYR 18 11.706 -4.594 0.606 161 HD2 TYR 18 HD2 TYR 18 7.958 -6.454 -0.145 162 HE1 TYR 18 HE1 TYR 18 11.782 -5.638 2.832 163 HE2 TYR 18 HE2 TYR 18 8.023 -7.502 2.076 164 HH TYR 18 HH TYR 18 10.296 -6.584 4.475 165 H ASN 19 HN ASN 19 8.492 -7.031 -3.104 166 HA ASN 19 HA ASN 19 8.472 -5.801 -5.778 167 1HB ASN 19 HB2 ASN 19 7.802 -8.622 -4.964 168 2HB ASN 19 HB1 ASN 19 7.427 -7.963 -6.553 169 1HD2 ASN 19 HD21 ASN 19 9.187 -10.168 -5.805 170 2HD2 ASN 19 HD22 ASN 19 10.745 -9.769 -6.442 171 H VAL 20 HN VAL 20 6.418 -7.215 -3.298 172 HA VAL 20 HA VAL 20 4.263 -5.422 -4.175 173 HB VAL 20 HB VAL 20 2.587 -7.214 -3.692 174 1HG1 VAL 20 HG11 VAL 20 2.894 -8.405 -5.821 175 2HG1 VAL 20 HG12 VAL 20 4.536 -7.769 -5.926 176 3HG1 VAL 20 HG13 VAL 20 3.157 -6.670 -5.983 177 1HG2 VAL 20 HG21 VAL 20 3.314 -9.547 -3.699 178 2HG2 VAL 20 HG22 VAL 20 3.986 -8.670 -2.323 179 3HG2 VAL 20 HG23 VAL 20 4.999 -9.025 -3.722 180 H VAL 21 HN VAL 21 2.982 -4.582 -2.567 181 HA VAL 21 HA VAL 21 3.686 -5.347 0.188 182 HB VAL 21 HB VAL 21 4.882 -3.289 -0.442 183 1HG1 VAL 21 HG11 VAL 21 2.136 -2.096 -0.814 184 2HG1 VAL 21 HG12 VAL 21 3.320 -2.403 -2.085 185 3HG1 VAL 21 HG13 VAL 21 3.662 -1.210 -0.832 186 1HG2 VAL 21 HG21 VAL 21 2.690 -2.876 1.575 187 2HG2 VAL 21 HG22 VAL 21 4.170 -1.922 1.456 188 3HG2 VAL 21 HG23 VAL 21 4.254 -3.635 1.866 189 HA PRO 22 HA PRO 22 -0.761 -5.365 0.705 190 1HB PRO 22 HB2 PRO 22 -0.820 -5.746 3.375 191 2HB PRO 22 HB1 PRO 22 -0.413 -7.039 2.241 192 1HG PRO 22 HG2 PRO 22 1.399 -5.341 3.907 193 2HG PRO 22 HG1 PRO 22 1.485 -7.079 3.575 194 1HD PRO 22 HD2 PRO 22 3.012 -5.218 2.286 195 2HD PRO 22 HD1 PRO 22 2.533 -6.766 1.558 196 H VAL 23 HN VAL 23 -1.993 -3.630 0.703 197 HA VAL 23 HA VAL 23 -1.401 -1.409 2.541 198 HB VAL 23 HB VAL 23 -2.531 0.084 0.962 199 1HG1 VAL 23 HG11 VAL 23 -0.883 0.002 -0.865 200 2HG1 VAL 23 HG12 VAL 23 -0.388 -1.602 -0.325 201 3HG1 VAL 23 HG13 VAL 23 -0.137 -0.202 0.720 202 1HG2 VAL 23 HG21 VAL 23 -2.791 -2.347 -0.808 203 2HG2 VAL 23 HG22 VAL 23 -3.200 -0.691 -1.261 204 3HG2 VAL 23 HG23 VAL 23 -4.116 -1.512 0.004 205 H LYS 24 HN LYS 24 -3.377 -0.151 3.165 206 HA LYS 24 HA LYS 24 -5.817 -1.748 3.273 207 1HB LYS 24 HB2 LYS 24 -5.996 -1.623 5.683 208 2HB LYS 24 HB1 LYS 24 -4.487 -2.417 5.258 209 1HG LYS 24 HG2 LYS 24 -3.290 -0.298 5.652 210 2HG LYS 24 HG1 LYS 24 -4.813 0.440 6.152 211 1HD LYS 24 HD2 LYS 24 -3.463 -1.920 7.467 212 2HD LYS 24 HD1 LYS 24 -3.491 -0.270 8.084 213 1HE LYS 24 HE2 LYS 24 -5.904 -2.031 7.660 214 2HE LYS 24 HE1 LYS 24 -5.131 -1.699 9.209 215 1HZ LYS 24 HZ1 LYS 24 -6.467 0.297 7.460 216 2HZ LYS 24 HZ2 LYS 24 -5.669 0.654 8.907 217 3HZ LYS 24 HZ3 LYS 24 -7.059 -0.312 8.924 218 H SER 25 HN SER 25 -7.489 -0.404 4.655 219 HA SER 25 HA SER 25 -7.271 2.399 3.782 220 1HB SER 25 HB2 SER 25 -9.753 0.849 4.551 221 2HB SER 25 HB1 SER 25 -9.692 2.452 3.819 222 HG SER 25 HG SER 25 -8.624 0.131 2.583 223 H ASN 26 HN ASN 26 -7.313 3.992 5.259 224 HA ASN 26 HA ASN 26 -6.936 3.351 8.011 225 1HB ASN 26 HB2 ASN 26 -6.830 5.790 8.357 226 2HB ASN 26 HB1 ASN 26 -5.815 5.283 7.013 227 1HD2 ASN 26 HD21 ASN 26 -6.903 7.898 7.585 228 2HD2 ASN 26 HD22 ASN 26 -7.820 8.346 6.190 229 H LYS 27 HN LYS 27 -9.585 4.605 6.101 230 HA LYS 27 HA LYS 27 -11.337 4.280 8.438 231 1HB LYS 27 HB2 LYS 27 -11.581 6.206 6.117 232 2HB LYS 27 HB1 LYS 27 -12.828 5.959 7.332 233 1HG LYS 27 HG2 LYS 27 -11.310 6.731 9.071 234 2HG LYS 27 HG1 LYS 27 -10.035 6.946 7.872 235 1HD LYS 27 HD2 LYS 27 -12.688 8.380 7.821 236 2HD LYS 27 HD1 LYS 27 -11.207 9.055 8.499 237 1HE LYS 27 HE2 LYS 27 -10.127 8.784 6.281 238 2HE LYS 27 HE1 LYS 27 -11.673 8.232 5.635 239 1HZ LYS 27 HZ1 LYS 27 -11.126 10.905 6.814 240 2HZ LYS 27 HZ2 LYS 27 -12.638 10.375 6.258 241 3HZ LYS 27 HZ3 LYS 27 -11.354 10.562 5.171 242 HA PRO 28 HA PRO 28 -13.332 1.077 6.270 243 1HB PRO 28 HB2 PRO 28 -15.909 1.328 7.092 244 2HB PRO 28 HB1 PRO 28 -14.617 0.733 8.132 245 1HG PRO 28 HG2 PRO 28 -15.815 3.472 7.980 246 2HG PRO 28 HG1 PRO 28 -15.389 2.512 9.410 247 1HD PRO 28 HD2 PRO 28 -13.805 4.489 8.486 248 2HD PRO 28 HD1 PRO 28 -13.148 3.027 9.250 249 H VAL 29 HN VAL 29 -14.216 0.647 4.378 250 HA VAL 29 HA VAL 29 -15.496 2.838 2.877 251 HB VAL 29 HB VAL 29 -14.419 0.583 1.336 252 1HG1 VAL 29 HG11 VAL 29 -13.595 2.373 -0.099 253 2HG1 VAL 29 HG12 VAL 29 -14.059 3.564 1.114 254 3HG1 VAL 29 HG13 VAL 29 -15.296 2.603 0.306 255 1HG2 VAL 29 HG21 VAL 29 -12.068 1.278 1.509 256 2HG2 VAL 29 HG22 VAL 29 -12.688 0.625 3.027 257 3HG2 VAL 29 HG23 VAL 29 -12.501 2.371 2.825 258 H GLU 30 HN GLU 30 -16.888 1.859 1.012 259 HA GLU 30 HA GLU 30 -18.513 -0.284 2.163 260 1HB GLU 30 HB2 GLU 30 -19.138 1.561 -0.149 261 2HB GLU 30 HB1 GLU 30 -20.235 0.374 0.549 262 1HG GLU 30 HG2 GLU 30 -20.045 1.582 2.714 263 2HG GLU 30 HG1 GLU 30 -19.128 2.830 1.877 264 H ILE 31 HN ILE 31 -18.721 -2.219 1.248 265 HA ILE 31 HA ILE 31 -16.753 -3.252 -0.395 266 HB ILE 31 HB ILE 31 -18.132 -4.622 1.085 267 1HG1 ILE 31 HG12 ILE 31 -18.375 -5.506 -1.802 268 2HG1 ILE 31 HG11 ILE 31 -16.939 -5.697 -0.802 269 1HG2 ILE 31 HG21 ILE 31 -20.275 -3.566 0.787 270 2HG2 ILE 31 HG22 ILE 31 -20.414 -5.287 0.415 271 3HG2 ILE 31 HG23 ILE 31 -20.346 -4.104 -0.894 272 1HD1 ILE 31 HD11 ILE 31 -18.187 -7.167 0.696 273 2HD1 ILE 31 HD12 ILE 31 -18.187 -7.771 -0.959 274 3HD1 ILE 31 HD13 ILE 31 -19.620 -6.974 -0.312 275 H SER 32 HN SER 32 -19.614 -1.550 -1.279 276 HA SER 32 HA SER 32 -20.111 -2.479 -3.847 277 1HB SER 32 HB2 SER 32 -20.314 0.391 -2.914 278 2HB SER 32 HB1 SER 32 -21.237 -0.373 -4.210 279 HG SER 32 HG SER 32 -22.455 -1.422 -2.773 280 H LYS 33 HN LYS 33 -17.559 -0.362 -2.681 281 HA LYS 33 HA LYS 33 -16.753 0.189 -5.450 282 1HB LYS 33 HB2 LYS 33 -16.025 1.538 -2.856 283 2HB LYS 33 HB1 LYS 33 -15.223 1.893 -4.379 284 1HG LYS 33 HG2 LYS 33 -17.464 2.493 -5.320 285 2HG LYS 33 HG1 LYS 33 -18.118 2.332 -3.689 286 1HD LYS 33 HD2 LYS 33 -17.612 4.664 -4.180 287 2HD LYS 33 HD1 LYS 33 -16.559 4.059 -2.902 288 1HE LYS 33 HE2 LYS 33 -15.275 5.390 -4.463 289 2HE LYS 33 HE1 LYS 33 -14.781 3.701 -4.567 290 1HZ LYS 33 HZ1 LYS 33 -16.469 5.217 -6.476 291 2HZ LYS 33 HZ2 LYS 33 -16.341 3.529 -6.512 292 3HZ LYS 33 HZ3 LYS 33 -14.963 4.479 -6.766 293 H TRP 34 HN TRP 34 -16.216 -2.265 -3.585 294 HA TRP 34 HA TRP 34 -13.446 -2.435 -3.164 295 1HB TRP 34 HB2 TRP 34 -15.704 -4.275 -3.203 296 2HB TRP 34 HB1 TRP 34 -14.234 -5.024 -3.815 297 HD1 TRP 34 HD1 TRP 34 -15.477 -3.160 -0.655 298 HE1 TRP 34 HE1 TRP 34 -14.140 -4.037 1.369 299 HE3 TRP 34 HE3 TRP 34 -12.215 -6.231 -3.124 300 HZ2 TRP 34 HZ2 TRP 34 -11.979 -5.785 1.835 301 HZ3 TRP 34 HZ3 TRP 34 -10.537 -7.466 -1.812 302 HH2 TRP 34 HH2 TRP 34 -10.422 -7.247 0.618 303 H ILE 35 HN ILE 35 -15.405 -3.304 -5.983 304 HA ILE 35 HA ILE 35 -13.260 -4.341 -7.510 305 HB ILE 35 HB ILE 35 -15.556 -4.949 -8.017 306 1HG1 ILE 35 HG12 ILE 35 -14.335 -3.381 -10.302 307 2HG1 ILE 35 HG11 ILE 35 -13.880 -5.015 -9.837 308 1HG2 ILE 35 HG21 ILE 35 -15.948 -2.073 -8.822 309 2HG2 ILE 35 HG22 ILE 35 -16.658 -2.873 -7.421 310 3HG2 ILE 35 HG23 ILE 35 -17.118 -3.374 -9.049 311 1HD1 ILE 35 HD11 ILE 35 -16.143 -5.779 -10.369 312 2HD1 ILE 35 HD12 ILE 35 -15.338 -5.045 -11.756 313 3HD1 ILE 35 HD13 ILE 35 -16.564 -4.142 -10.869 314 H ASP 36 HN ASP 36 -14.636 -1.151 -7.135 315 HA ASP 36 HA ASP 36 -13.342 0.088 -9.336 316 1HB ASP 36 HB2 ASP 36 -15.317 1.068 -8.269 317 2HB ASP 36 HB1 ASP 36 -14.425 1.278 -6.767 318 H PHE 37 HN PHE 37 -12.537 -0.176 -5.887 319 HA PHE 37 HA PHE 37 -10.136 1.326 -6.084 320 1HB PHE 37 HB2 PHE 37 -11.223 -0.568 -4.020 321 2HB PHE 37 HB1 PHE 37 -9.609 0.119 -3.871 322 HD1 PHE 37 HD1 PHE 37 -11.657 2.444 -5.515 323 HD2 PHE 37 HD2 PHE 37 -10.825 0.834 -1.665 324 HE1 PHE 37 HE1 PHE 37 -12.592 4.464 -4.477 325 HE2 PHE 37 HE2 PHE 37 -11.756 2.854 -0.617 326 HZ PHE 37 HZ PHE 37 -12.644 4.671 -2.021 327 H SER 38 HN SER 38 -10.848 -2.144 -6.213 328 HA SER 38 HA SER 38 -8.199 -3.059 -6.426 329 1HB SER 38 HB2 SER 38 -10.178 -4.526 -6.039 330 2HB SER 38 HB1 SER 38 -10.675 -4.255 -7.708 331 HG SER 38 HG SER 38 -8.710 -5.889 -6.689 332 H ASN 39 HN ASN 39 -10.465 -1.807 -8.785 333 HA ASN 39 HA ASN 39 -9.079 -2.291 -11.162 334 1HB ASN 39 HB2 ASN 39 -11.433 -1.370 -10.839 335 2HB ASN 39 HB1 ASN 39 -10.690 0.191 -10.521 336 1HD2 ASN 39 HD21 ASN 39 -12.541 -0.475 -12.571 337 2HD2 ASN 39 HD22 ASN 39 -11.766 -0.165 -14.080 338 H VAL 40 HN VAL 40 -8.892 0.399 -8.878 339 HA VAL 40 HA VAL 40 -7.004 1.910 -10.358 340 HB VAL 40 HB VAL 40 -7.571 2.042 -7.391 341 1HG1 VAL 40 HG11 VAL 40 -5.532 3.208 -7.997 342 2HG1 VAL 40 HG12 VAL 40 -6.800 4.364 -7.586 343 3HG1 VAL 40 HG13 VAL 40 -6.384 4.074 -9.275 344 1HG2 VAL 40 HG21 VAL 40 -9.626 2.288 -8.661 345 2HG2 VAL 40 HG22 VAL 40 -8.874 3.520 -9.675 346 3HG2 VAL 40 HG23 VAL 40 -9.148 3.834 -7.960 347 H LEU 41 HN LEU 41 -6.667 -0.291 -7.574 348 HA LEU 41 HA LEU 41 -3.914 0.227 -7.193 349 1HB LEU 41 HB2 LEU 41 -5.621 -2.089 -6.310 350 2HB LEU 41 HB1 LEU 41 -3.957 -1.859 -5.812 351 HG LEU 41 HG LEU 41 -6.280 -0.033 -5.194 352 1HD1 LEU 41 HD11 LEU 41 -4.577 -1.820 -3.465 353 2HD1 LEU 41 HD12 LEU 41 -6.279 -2.056 -3.870 354 3HD1 LEU 41 HD13 LEU 41 -5.791 -0.686 -2.873 355 1HD2 LEU 41 HD21 LEU 41 -4.684 1.252 -3.861 356 2HD2 LEU 41 HD22 LEU 41 -4.242 1.262 -5.568 357 3HD2 LEU 41 HD23 LEU 41 -3.370 0.227 -4.438 358 H SER 42 HN SER 42 -5.581 -2.114 -9.224 359 HA SER 42 HA SER 42 -3.306 -3.798 -9.574 360 1HB SER 42 HB2 SER 42 -4.675 -4.712 -11.525 361 2HB SER 42 HB1 SER 42 -5.400 -4.833 -9.921 362 HG SER 42 HG SER 42 -6.719 -3.101 -10.397 363 H ARG 43 HN ARG 43 -4.085 -0.761 -10.821 364 HA ARG 43 HA ARG 43 -2.049 -1.099 -12.921 365 1HB ARG 43 HB2 ARG 43 -3.091 0.839 -14.067 366 2HB ARG 43 HB1 ARG 43 -4.161 -0.552 -13.951 367 1HG ARG 43 HG2 ARG 43 -5.394 0.466 -12.171 368 2HG ARG 43 HG1 ARG 43 -4.244 1.799 -12.077 369 1HD ARG 43 HD2 ARG 43 -6.346 2.372 -13.267 370 2HD ARG 43 HD1 ARG 43 -4.895 2.593 -14.244 371 HE ARG 43 HE ARG 43 -5.557 0.205 -15.065 372 1HH1 ARG 43 HH11 ARG 43 -7.728 2.854 -14.330 373 2HH1 ARG 43 HH12 ARG 43 -8.909 2.388 -15.513 374 1HH2 ARG 43 HH21 ARG 43 -7.106 -0.430 -16.596 375 2HH2 ARG 43 HH22 ARG 43 -8.569 0.488 -16.792 376 H LEU 44 HN LEU 44 -2.150 -0.217 -9.922 377 HA LEU 44 HA LEU 44 -0.968 2.455 -10.239 378 1HB LEU 44 HB2 LEU 44 -2.960 2.181 -8.749 379 2HB LEU 44 HB1 LEU 44 -1.988 1.147 -7.720 380 HG LEU 44 HG LEU 44 -0.457 3.040 -7.293 381 1HD1 LEU 44 HD11 LEU 44 -2.473 4.638 -8.867 382 2HD1 LEU 44 HD12 LEU 44 -0.821 4.272 -9.363 383 3HD1 LEU 44 HD13 LEU 44 -1.114 5.295 -7.955 384 1HD2 LEU 44 HD21 LEU 44 -2.279 2.580 -5.747 385 2HD2 LEU 44 HD22 LEU 44 -3.362 3.598 -6.696 386 3HD2 LEU 44 HD23 LEU 44 -1.982 4.313 -5.864 387 H TYR 45 HN TYR 45 1.123 2.728 -9.941 388 HA TYR 45 HA TYR 45 2.622 0.687 -8.439 389 1HB TYR 45 HB2 TYR 45 3.432 2.275 -10.874 390 2HB TYR 45 HB1 TYR 45 4.602 1.452 -9.851 391 HD1 TYR 45 HD1 TYR 45 1.554 0.832 -11.900 392 HD2 TYR 45 HD2 TYR 45 5.122 -0.776 -10.234 393 HE1 TYR 45 HE1 TYR 45 1.208 -1.239 -13.172 394 HE2 TYR 45 HE2 TYR 45 4.779 -2.854 -11.500 395 HH TYR 45 HH TYR 45 2.496 -3.106 -14.025 396 H VAL 46 HN VAL 46 2.686 1.675 -6.465 397 HA VAL 46 HA VAL 46 3.861 4.376 -6.378 398 HB VAL 46 HB VAL 46 2.192 2.990 -4.262 399 1HG1 VAL 46 HG11 VAL 46 3.859 4.499 -3.293 400 2HG1 VAL 46 HG12 VAL 46 2.225 5.129 -3.089 401 3HG1 VAL 46 HG13 VAL 46 3.281 5.802 -4.331 402 1HG2 VAL 46 HG21 VAL 46 1.524 5.296 -6.084 403 2HG2 VAL 46 HG22 VAL 46 0.496 4.670 -4.794 404 3HG2 VAL 46 HG23 VAL 46 0.867 3.662 -6.194 405 H GLY 47 HN GLY 47 5.681 4.725 -5.144 406 1HA GLY 47 HA2 GLY 47 6.867 2.294 -3.969 407 2HA GLY 47 HA1 GLY 47 7.804 3.427 -4.930 408 H VAL 48 HN VAL 48 9.192 4.318 -3.608 409 HA VAL 48 HA VAL 48 10.151 5.312 -1.820 410 HB VAL 48 HB VAL 48 7.383 6.364 -1.185 411 1HG1 VAL 48 HG11 VAL 48 8.986 6.601 0.650 412 2HG1 VAL 48 HG12 VAL 48 8.566 8.165 -0.048 413 3HG1 VAL 48 HG13 VAL 48 10.113 7.413 -0.439 414 1HG2 VAL 48 HG21 VAL 48 8.002 6.914 -3.475 415 2HG2 VAL 48 HG22 VAL 48 9.544 7.561 -2.916 416 3HG2 VAL 48 HG23 VAL 48 8.037 8.355 -2.458 417 HA PRO 49 HA PRO 49 8.851 1.690 0.744 418 1HB PRO 49 HB2 PRO 49 11.769 1.762 1.274 419 2HB PRO 49 HB1 PRO 49 10.737 0.399 0.828 420 1HG PRO 49 HG2 PRO 49 12.423 1.476 -0.936 421 2HG PRO 49 HG1 PRO 49 10.819 0.903 -1.432 422 1HD PRO 49 HD2 PRO 49 11.772 3.699 -0.952 423 2HD PRO 49 HD1 PRO 49 10.683 3.075 -2.211 424 H THR 50 HN THR 50 7.995 2.219 2.639 425 HA THR 50 HA THR 50 9.537 3.898 4.482 426 HB THR 50 HB THR 50 6.927 4.642 4.922 427 HG1 THR 50 HG1 THR 50 7.418 4.415 2.119 428 1HG2 THR 50 HG21 THR 50 9.018 6.058 3.261 429 2HG2 THR 50 HG22 THR 50 8.865 6.127 5.017 430 3HG2 THR 50 HG23 THR 50 7.608 6.821 3.992 431 H LYS 51 HN LYS 51 7.895 4.118 6.564 432 HA LYS 51 HA LYS 51 7.767 1.387 7.546 433 1HB LYS 51 HB2 LYS 51 7.352 4.020 8.974 434 2HB LYS 51 HB1 LYS 51 7.450 2.442 9.744 435 1HG LYS 51 HG2 LYS 51 9.738 2.200 9.124 436 2HG LYS 51 HG1 LYS 51 9.671 3.642 8.110 437 1HD LYS 51 HD2 LYS 51 9.216 4.997 10.122 438 2HD LYS 51 HD1 LYS 51 9.372 3.545 11.111 439 1HE LYS 51 HE2 LYS 51 11.676 3.289 10.444 440 2HE LYS 51 HE1 LYS 51 11.536 4.640 9.321 441 1HZ LYS 51 HZ1 LYS 51 11.278 4.810 12.278 442 2HZ LYS 51 HZ2 LYS 51 11.135 6.110 11.194 443 3HZ LYS 51 HZ3 LYS 51 12.619 5.312 11.364 444 H SER 52 HN SER 52 5.837 1.315 9.354 445 HA SER 52 HA SER 52 3.520 0.893 7.775 446 1HB SER 52 HB2 SER 52 4.100 -0.490 9.752 447 2HB SER 52 HB1 SER 52 3.788 0.895 10.797 448 HG SER 52 HG SER 52 1.693 0.642 10.539 449 H GLY 53 HN GLY 53 1.762 2.136 7.444 450 1HA GLY 53 HA2 GLY 53 0.149 3.749 8.076 451 2HA GLY 53 HA1 GLY 53 1.316 4.440 9.195 452 H ASN 54 HN ASN 54 2.277 3.632 5.959 453 HA ASN 54 HA ASN 54 2.621 6.498 5.423 454 1HB ASN 54 HB2 ASN 54 4.078 5.866 3.587 455 2HB ASN 54 HB1 ASN 54 4.574 5.010 5.040 456 1HD2 ASN 54 HD21 ASN 54 4.448 2.801 5.111 457 2HD2 ASN 54 HD22 ASN 54 4.044 1.837 3.730 458 H VAL 55 HN VAL 55 1.727 7.529 3.613 459 HA VAL 55 HA VAL 55 -0.790 6.313 2.814 460 HB VAL 55 HB VAL 55 0.294 9.091 2.312 461 1HG1 VAL 55 HG11 VAL 55 -2.437 7.951 1.718 462 2HG1 VAL 55 HG12 VAL 55 -1.228 8.427 0.525 463 3HG1 VAL 55 HG13 VAL 55 -1.973 9.645 1.561 464 1HG2 VAL 55 HG21 VAL 55 -1.364 9.787 3.959 465 2HG2 VAL 55 HG22 VAL 55 -0.247 8.614 4.659 466 3HG2 VAL 55 HG23 VAL 55 -1.868 8.110 4.175 467 H VAL 56 HN VAL 56 -0.908 5.112 1.085 468 HA VAL 56 HA VAL 56 1.021 5.300 -1.063 469 HB VAL 56 HB VAL 56 -1.405 3.524 -0.710 470 1HG1 VAL 56 HG11 VAL 56 -0.868 3.789 -3.065 471 2HG1 VAL 56 HG12 VAL 56 -0.460 2.166 -2.509 472 3HG1 VAL 56 HG13 VAL 56 0.812 3.364 -2.744 473 1HG2 VAL 56 HG21 VAL 56 0.317 3.107 0.955 474 2HG2 VAL 56 HG22 VAL 56 1.529 2.951 -0.317 475 3HG2 VAL 56 HG23 VAL 56 0.225 1.771 -0.193 476 H CYS 57 HN CYS 57 -2.533 5.455 -0.812 477 HA CYS 57 HA CYS 57 -2.506 7.468 -2.954 478 1HB CYS 57 HB2 CYS 57 -3.236 5.249 -3.847 479 2HB CYS 57 HB1 CYS 57 -4.561 5.258 -2.688 480 HG CYS 57 HG CYS 57 -4.329 7.918 -4.768 481 H LYS 58 HN LYS 58 -3.363 9.305 -2.226 482 HA LYS 58 HA LYS 58 -4.943 9.199 0.234 483 1HB LYS 58 HB2 LYS 58 -2.832 10.651 -0.057 484 2HB LYS 58 HB1 LYS 58 -3.851 11.699 -1.040 485 1HG LYS 58 HG2 LYS 58 -5.410 11.882 0.874 486 2HG LYS 58 HG1 LYS 58 -4.265 10.957 1.841 487 1HD LYS 58 HD2 LYS 58 -2.556 12.736 1.265 488 2HD LYS 58 HD1 LYS 58 -3.906 13.689 0.643 489 1HE LYS 58 HE2 LYS 58 -3.347 12.815 3.455 490 2HE LYS 58 HE1 LYS 58 -3.680 14.433 2.839 491 1HZ LYS 58 HZ1 LYS 58 -5.617 12.197 3.135 492 2HZ LYS 58 HZ2 LYS 58 -5.969 13.653 2.344 493 3HZ LYS 58 HZ3 LYS 58 -5.597 13.663 3.997 494 H ASN 59 HN ASN 59 -7.053 9.676 0.278 495 HA ASN 59 HA ASN 59 -9.171 10.179 -0.436 496 1HB ASN 59 HB2 ASN 59 -7.599 12.391 -1.786 497 2HB ASN 59 HB1 ASN 59 -9.356 12.306 -1.825 498 1HD2 ASN 59 HD21 ASN 59 -10.519 12.849 -0.026 499 2HD2 ASN 59 HD22 ASN 59 -9.809 13.543 1.383 500 H ILE 60 HN ILE 60 -8.095 8.099 -1.733 501 HA ILE 60 HA ILE 60 -7.945 8.185 -4.494 502 HB ILE 60 HB ILE 60 -7.278 6.198 -3.349 503 1HG1 ILE 60 HG12 ILE 60 -9.749 5.551 -4.972 504 2HG1 ILE 60 HG11 ILE 60 -8.171 5.934 -5.650 505 1HG2 ILE 60 HG21 ILE 60 -8.868 4.705 -2.217 506 2HG2 ILE 60 HG22 ILE 60 -10.143 5.896 -2.467 507 3HG2 ILE 60 HG23 ILE 60 -8.760 6.288 -1.445 508 1HD1 ILE 60 HD11 ILE 60 -7.241 3.956 -4.515 509 2HD1 ILE 60 HD12 ILE 60 -8.519 3.556 -5.664 510 3HD1 ILE 60 HD13 ILE 60 -8.859 3.562 -3.933 511 H MET 61 HN MET 61 -9.341 9.076 -5.792 512 HA MET 61 HA MET 61 -11.231 9.540 -6.943 513 1HB MET 61 HB2 MET 61 -12.378 7.192 -5.427 514 2HB MET 61 HB1 MET 61 -13.145 7.980 -6.801 515 1HG MET 61 HG2 MET 61 -10.508 6.522 -6.818 516 2HG MET 61 HG1 MET 61 -12.027 5.938 -7.492 517 1HE MET 61 HE1 MET 61 -9.822 6.654 -10.660 518 2HE MET 61 HE2 MET 61 -10.754 5.445 -9.774 519 3HE MET 61 HE3 MET 61 -9.252 6.075 -9.095 520 H ASN 62 HN ASN 62 -10.637 10.740 -4.333 521 HA ASN 62 HA ASN 62 -11.484 12.540 -3.228 522 1HB ASN 62 HB2 ASN 62 -12.584 13.114 -5.349 523 2HB ASN 62 HB1 ASN 62 -13.944 12.078 -4.942 524 1HD2 ASN 62 HD21 ASN 62 -15.515 12.830 -3.611 525 2HD2 ASN 62 HD22 ASN 62 -15.576 14.447 -3.000 526 H THR 63 HN THR 63 -12.366 9.511 -2.778 527 HA THR 63 HA THR 63 -14.735 9.466 -1.328 528 HB THR 63 HB THR 63 -13.862 7.381 -0.307 529 HG1 THR 63 HG1 THR 63 -11.555 7.361 -1.807 530 1HG2 THR 63 HG21 THR 63 -13.215 7.650 -3.238 531 2HG2 THR 63 HG22 THR 63 -14.837 7.413 -2.585 532 3HG2 THR 63 HG23 THR 63 -13.611 6.158 -2.386 533 H GLY 64 HN GLY 64 -11.443 10.056 -0.206 534 1HA GLY 64 HA2 GLY 64 -11.106 11.613 1.632 535 2HA GLY 64 HA1 GLY 64 -12.570 10.965 2.363 536 H VAL 65 HN VAL 65 -11.336 8.293 1.211 537 HA VAL 65 HA VAL 65 -10.044 7.555 3.697 538 HB VAL 65 HB VAL 65 -10.643 5.962 1.189 539 1HG1 VAL 65 HG11 VAL 65 -9.525 4.993 3.821 540 2HG1 VAL 65 HG12 VAL 65 -8.657 5.062 2.286 541 3HG1 VAL 65 HG13 VAL 65 -10.031 3.971 2.475 542 1HG2 VAL 65 HG21 VAL 65 -11.910 5.978 3.923 543 2HG2 VAL 65 HG22 VAL 65 -12.289 4.829 2.639 544 3HG2 VAL 65 HG23 VAL 65 -12.633 6.547 2.418 545 H ASP 66 HN ASP 66 -7.946 7.202 4.012 546 HA ASP 66 HA ASP 66 -6.097 7.851 1.829 547 1HB ASP 66 HB2 ASP 66 -5.514 7.658 4.800 548 2HB ASP 66 HB1 ASP 66 -4.444 8.295 3.556 549 H ILE 67 HN ILE 67 -5.509 6.062 0.773 550 HA ILE 67 HA ILE 67 -5.607 3.467 2.011 551 HB ILE 67 HB ILE 67 -4.501 4.270 -0.691 552 1HG1 ILE 67 HG12 ILE 67 -6.884 4.772 -0.511 553 2HG1 ILE 67 HG11 ILE 67 -6.639 3.390 -1.572 554 1HG2 ILE 67 HG21 ILE 67 -4.698 1.899 -1.264 555 2HG2 ILE 67 HG22 ILE 67 -5.205 1.543 0.387 556 3HG2 ILE 67 HG23 ILE 67 -3.580 2.152 0.076 557 1HD1 ILE 67 HD11 ILE 67 -7.248 1.893 0.281 558 2HD1 ILE 67 HD12 ILE 67 -8.539 3.017 -0.144 559 3HD1 ILE 67 HD13 ILE 67 -7.556 3.306 1.290 560 H ILE 68 HN ILE 68 -4.118 3.016 3.478 561 HA ILE 68 HA ILE 68 -1.416 4.090 3.089 562 HB ILE 68 HB ILE 68 -1.152 3.783 5.553 563 1HG1 ILE 68 HG12 ILE 68 -4.146 3.330 5.464 564 2HG1 ILE 68 HG11 ILE 68 -2.942 2.112 5.873 565 1HG2 ILE 68 HG21 ILE 68 -1.626 5.957 4.591 566 2HG2 ILE 68 HG22 ILE 68 -2.444 5.780 6.143 567 3HG2 ILE 68 HG23 ILE 68 -3.358 5.626 4.641 568 1HD1 ILE 68 HD11 ILE 68 -3.485 4.634 7.420 569 2HD1 ILE 68 HD12 ILE 68 -2.299 3.396 7.835 570 3HD1 ILE 68 HD13 ILE 68 -4.021 3.011 7.857 571 H CYS 69 HN CYS 69 0.355 2.864 3.362 572 HA CYS 69 HA CYS 69 0.029 -0.026 3.307 573 1HB CYS 69 HB2 CYS 69 1.574 0.702 1.693 574 2HB CYS 69 HB1 CYS 69 2.308 1.868 2.789 575 HG CYS 69 HG CYS 69 4.044 -0.316 2.096 576 H THR 70 HN THR 70 0.844 -1.392 4.884 577 HA THR 70 HA THR 70 1.595 -0.052 7.404 578 HB THR 70 HB THR 70 -0.681 -0.965 7.511 579 HG1 THR 70 HG1 THR 70 1.216 -1.479 9.227 580 1HG2 THR 70 HG21 THR 70 0.578 -3.633 6.869 581 2HG2 THR 70 HG22 THR 70 -0.457 -2.696 5.791 582 3HG2 THR 70 HG23 THR 70 -1.114 -3.361 7.287 583 H LYS 71 HN LYS 71 3.043 -1.499 5.063 584 HA LYS 71 HA LYS 71 4.503 -3.519 6.605 585 1HB LYS 71 HB2 LYS 71 3.699 -3.838 4.168 586 2HB LYS 71 HB1 LYS 71 5.003 -2.743 3.736 587 1HG LYS 71 HG2 LYS 71 6.029 -4.762 3.446 588 2HG LYS 71 HG1 LYS 71 6.454 -4.429 5.128 589 1HD LYS 71 HD2 LYS 71 4.628 -5.817 5.897 590 2HD LYS 71 HD1 LYS 71 4.095 -6.079 4.237 591 1HE LYS 71 HE2 LYS 71 5.290 -8.023 4.910 592 2HE LYS 71 HE1 LYS 71 6.313 -7.138 3.783 593 1HZ LYS 71 HZ1 LYS 71 7.538 -6.236 5.672 594 2HZ LYS 71 HZ2 LYS 71 7.581 -7.929 5.662 595 3HZ LYS 71 HZ3 LYS 71 6.561 -7.115 6.744 596 H ASN 72 HN ASN 72 6.655 -3.236 7.151 597 HA ASN 72 HA ASN 72 7.654 -0.504 6.916 598 1HB ASN 72 HB2 ASN 72 8.952 -2.840 8.341 599 2HB ASN 72 HB1 ASN 72 9.363 -1.138 8.510 600 1HD2 ASN 72 HD21 ASN 72 6.346 -0.620 8.380 601 2HD2 ASN 72 HD22 ASN 72 5.798 -0.949 9.985 602 H LEU 73 HN LEU 73 8.443 -0.147 4.918 603 HA LEU 73 HA LEU 73 9.935 -2.333 3.642 604 1HB LEU 73 HB2 LEU 73 8.708 0.164 2.475 605 2HB LEU 73 HB1 LEU 73 9.566 -1.058 1.552 606 HG LEU 73 HG LEU 73 7.007 -1.510 3.092 607 1HD1 LEU 73 HD11 LEU 73 5.983 -1.766 0.887 608 2HD1 LEU 73 HD12 LEU 73 7.507 -1.295 0.130 609 3HD1 LEU 73 HD13 LEU 73 6.626 -0.140 1.130 610 1HD2 LEU 73 HD21 LEU 73 6.987 -3.693 2.005 611 2HD2 LEU 73 HD22 LEU 73 8.419 -3.498 3.017 612 3HD2 LEU 73 HD23 LEU 73 8.550 -3.344 1.263 613 HA PRO 74 HA PRO 74 13.565 0.143 4.484 614 1HB PRO 74 HB2 PRO 74 15.164 -2.020 3.466 615 2HB PRO 74 HB1 PRO 74 14.944 -1.516 5.142 616 1HG PRO 74 HG2 PRO 74 14.016 -3.886 4.092 617 2HG PRO 74 HG1 PRO 74 13.352 -3.093 5.531 618 1HD PRO 74 HD2 PRO 74 12.320 -3.115 2.727 619 2HD PRO 74 HD1 PRO 74 11.432 -3.157 4.265 620 H LYS 75 HN LYS 75 13.450 1.704 2.899 621 HA LYS 75 HA LYS 75 14.050 1.382 0.180 622 1HB LYS 75 HB2 LYS 75 13.127 3.455 0.879 623 2HB LYS 75 HB1 LYS 75 14.357 3.671 2.113 624 1HG LYS 75 HG2 LYS 75 14.706 5.216 0.298 625 2HG LYS 75 HG1 LYS 75 16.032 4.060 0.369 626 1HD LYS 75 HD2 LYS 75 15.067 2.811 -1.485 627 2HD LYS 75 HD1 LYS 75 13.688 3.914 -1.527 628 1HE LYS 75 HE2 LYS 75 15.329 4.476 -3.252 629 2HE LYS 75 HE1 LYS 75 15.167 5.770 -2.067 630 1HZ LYS 75 HZ1 LYS 75 17.459 5.506 -2.450 631 2HZ LYS 75 HZ2 LYS 75 17.382 3.820 -2.345 632 3HZ LYS 75 HZ3 LYS 75 17.181 4.766 -0.947 633 H ASP 76 HN ASP 76 16.257 2.971 2.396 634 HA ASP 76 HA ASP 76 18.272 0.918 2.006 635 1HB ASP 76 HB2 ASP 76 20.045 2.536 1.445 636 2HB ASP 76 HB1 ASP 76 18.802 2.488 0.201 637 H SER 77 HN SER 77 16.463 2.555 3.945 638 HA SER 77 HA SER 77 18.349 3.427 5.955 639 1HB SER 77 HB2 SER 77 15.370 3.106 6.312 640 2HB SER 77 HB1 SER 77 16.451 4.263 7.090 641 HG SER 77 HG SER 77 16.750 5.197 4.953 642 H LEU 78 HN LEU 78 18.488 0.681 5.153 643 HA LEU 78 HA LEU 78 17.061 -0.958 7.023 644 1HB LEU 78 HB2 LEU 78 17.579 -1.747 4.772 645 2HB LEU 78 HB1 LEU 78 19.296 -1.611 5.103 646 HG LEU 78 HG LEU 78 19.062 -3.365 6.847 647 1HD1 LEU 78 HD11 LEU 78 17.022 -4.709 6.918 648 2HD1 LEU 78 HD12 LEU 78 16.249 -3.593 5.793 649 3HD1 LEU 78 HD13 LEU 78 16.717 -3.041 7.402 650 1HD2 LEU 78 HD21 LEU 78 19.790 -3.963 4.614 651 2HD2 LEU 78 HD22 LEU 78 18.114 -4.129 4.091 652 3HD2 LEU 78 HD23 LEU 78 18.778 -5.238 5.292 653 H GLU 79 HN GLU 79 17.642 -0.533 9.082 654 HA GLU 79 HA GLU 79 20.446 -1.060 9.803 655 1HB GLU 79 HB2 GLU 79 18.235 0.325 11.332 656 2HB GLU 79 HB1 GLU 79 19.779 -0.115 12.046 657 1HG GLU 79 HG2 GLU 79 20.930 1.343 10.473 658 2HG GLU 79 HG1 GLU 79 19.383 1.773 9.739 659 H HIS 80 HN HIS 80 20.629 -2.232 11.961 660 HA HIS 80 HA HIS 80 18.822 -4.516 11.997 661 1HB HIS 80 HB2 HIS 80 21.359 -3.864 13.502 662 2HB HIS 80 HB1 HIS 80 20.399 -5.303 13.829 663 HD1 HIS 80 HD1 HIS 80 22.738 -3.817 11.321 664 HD2 HIS 80 HD2 HIS 80 20.536 -7.305 11.866 665 HE1 HIS 80 HE1 HIS 80 23.595 -5.441 9.599 666 HE2 HIS 80 HE2 HIS 80 22.207 -7.526 9.904 667 H HIS 81 HN HIS 81 17.767 -1.956 12.668 668 HA HIS 81 HA HIS 81 17.265 -2.217 15.554 669 1HB HIS 81 HB2 HIS 81 18.472 -0.151 14.986 670 2HB HIS 81 HB1 HIS 81 17.208 0.283 13.843 671 HD1 HIS 81 HD1 HIS 81 18.089 0.367 17.438 672 HD2 HIS 81 HD2 HIS 81 14.776 1.155 15.042 673 HE1 HIS 81 HE1 HIS 81 16.469 1.625 18.900 674 HE2 HIS 81 HE2 HIS 81 14.517 2.184 17.399 675 H HIS 82 HN HIS 82 15.488 -3.496 15.473 676 HA HIS 82 HA HIS 82 13.019 -2.069 14.992 677 1HB HIS 82 HB2 HIS 82 13.591 -3.307 12.808 678 2HB HIS 82 HB1 HIS 82 13.344 -4.795 13.710 679 HD1 HIS 82 HD1 HIS 82 10.882 -5.468 14.246 680 HD2 HIS 82 HD2 HIS 82 11.276 -1.856 12.205 681 HE1 HIS 82 HE1 HIS 82 8.575 -4.880 13.446 682 HE2 HIS 82 HE2 HIS 82 8.880 -2.823 12.025 683 H HIS 83 HN HIS 83 14.079 -5.390 15.327 684 HA HIS 83 HA HIS 83 14.167 -5.925 17.930 685 1HB HIS 83 HB2 HIS 83 11.454 -5.217 17.395 686 2HB HIS 83 HB1 HIS 83 11.494 -6.955 17.674 687 HD1 HIS 83 HD1 HIS 83 11.250 -7.585 20.070 688 HD2 HIS 83 HD2 HIS 83 12.936 -3.806 19.612 689 HE1 HIS 83 HE1 HIS 83 11.538 -6.680 22.396 690 HE2 HIS 83 HE2 HIS 83 12.775 -4.505 22.100 691 H HIS 84 HN HIS 84 13.435 -8.390 18.331 692 HA HIS 84 HA HIS 84 14.151 -9.867 15.943 693 1HB HIS 84 HB2 HIS 84 14.785 -10.410 18.422 694 2HB HIS 84 HB1 HIS 84 13.190 -11.155 18.482 695 HD1 HIS 84 HD1 HIS 84 14.423 -13.465 18.827 696 HD2 HIS 84 HD2 HIS 84 15.102 -11.628 15.161 697 HE1 HIS 84 HE1 HIS 84 15.465 -15.225 17.369 698 HE2 HIS 84 HE2 HIS 84 15.742 -14.134 15.114 699 H HIS 85 HN HIS 85 11.633 -8.276 16.426 700 HA HIS 85 HA HIS 85 9.739 -10.218 15.341 701 1HB HIS 85 HB2 HIS 85 9.024 -9.986 17.616 702 2HB HIS 85 HB1 HIS 85 9.271 -8.246 17.588 703 HD1 HIS 85 HD1 HIS 85 7.231 -6.886 17.231 704 HD2 HIS 85 HD2 HIS 85 6.764 -10.786 15.842 705 HE1 HIS 85 HE1 HIS 85 4.829 -7.068 16.498 706 HE2 HIS 85 HE2 HIS 85 4.535 -9.461 15.777 Start of MODEL 7 1 1H MET 1 HT1 MET 1 -23.709 1.755 2.611 2 2H MET 1 HT2 MET 1 -24.700 3.058 3.060 3 3H MET 1 HT3 MET 1 -25.357 1.502 2.938 4 HA MET 1 HA MET 1 -23.298 2.360 4.867 5 1HB MET 1 HB2 MET 1 -25.033 2.135 6.588 6 2HB MET 1 HB1 MET 1 -25.442 3.369 5.412 7 1HG MET 1 HG2 MET 1 -26.571 0.580 5.450 8 2HG MET 1 HG1 MET 1 -27.368 2.006 6.111 9 1HE MET 1 HE1 MET 1 -29.537 1.560 4.693 10 2HE MET 1 HE2 MET 1 -28.806 0.094 4.042 11 3HE MET 1 HE3 MET 1 -29.537 1.275 2.954 12 H HIS 2 HN HIS 2 -22.058 0.589 4.160 13 HA HIS 2 HA HIS 2 -22.326 -1.633 5.890 14 1HB HIS 2 HB2 HIS 2 -23.675 -1.969 3.421 15 2HB HIS 2 HB1 HIS 2 -22.188 -2.906 3.305 16 HD1 HIS 2 HD1 HIS 2 -22.077 -5.080 4.602 17 HD2 HIS 2 HD2 HIS 2 -25.420 -2.788 5.542 18 HE1 HIS 2 HE1 HIS 2 -23.531 -6.553 6.029 19 HE2 HIS 2 HE2 HIS 2 -25.601 -5.188 6.501 20 H LYS 3 HN LYS 3 -20.258 -1.082 6.469 21 HA LYS 3 HA LYS 3 -18.312 -0.798 4.284 22 1HB LYS 3 HB2 LYS 3 -18.140 0.451 7.021 23 2HB LYS 3 HB1 LYS 3 -17.132 0.802 5.624 24 1HG LYS 3 HG2 LYS 3 -19.204 1.617 4.465 25 2HG LYS 3 HG1 LYS 3 -20.035 1.472 6.015 26 1HD LYS 3 HD2 LYS 3 -18.312 2.989 6.995 27 2HD LYS 3 HD1 LYS 3 -17.669 3.219 5.367 28 1HE LYS 3 HE2 LYS 3 -20.473 3.881 6.257 29 2HE LYS 3 HE1 LYS 3 -19.166 5.042 6.019 30 1HZ LYS 3 HZ1 LYS 3 -20.546 5.021 4.086 31 2HZ LYS 3 HZ2 LYS 3 -20.430 3.332 3.943 32 3HZ LYS 3 HZ3 LYS 3 -19.062 4.302 3.679 33 H ASP 4 HN ASP 4 -16.380 -1.761 4.367 34 HA ASP 4 HA ASP 4 -15.507 -3.061 6.842 35 1HB ASP 4 HB2 ASP 4 -16.628 -4.672 5.074 36 2HB ASP 4 HB1 ASP 4 -15.094 -4.489 4.230 37 H ILE 5 HN ILE 5 -13.155 -3.331 6.882 38 HA ILE 5 HA ILE 5 -11.820 -1.124 5.686 39 HB ILE 5 HB ILE 5 -10.703 -3.492 7.197 40 1HG1 ILE 5 HG12 ILE 5 -12.194 -2.079 8.534 41 2HG1 ILE 5 HG11 ILE 5 -10.525 -1.907 9.068 42 1HG2 ILE 5 HG21 ILE 5 -9.354 -0.924 6.375 43 2HG2 ILE 5 HG22 ILE 5 -8.983 -2.541 5.779 44 3HG2 ILE 5 HG23 ILE 5 -8.670 -2.130 7.465 45 1HD1 ILE 5 HD11 ILE 5 -10.352 0.203 7.862 46 2HD1 ILE 5 HD12 ILE 5 -11.676 0.232 9.027 47 3HD1 ILE 5 HD13 ILE 5 -12.018 0.029 7.308 48 H PHE 6 HN PHE 6 -11.139 -1.026 3.666 49 HA PHE 6 HA PHE 6 -10.801 -3.397 2.071 50 1HB PHE 6 HB2 PHE 6 -11.733 -1.413 1.021 51 2HB PHE 6 HB1 PHE 6 -10.304 -0.478 1.444 52 HD1 PHE 6 HD1 PHE 6 -11.626 -3.127 -0.731 53 HD2 PHE 6 HD2 PHE 6 -8.304 -0.615 0.145 54 HE1 PHE 6 HE1 PHE 6 -10.602 -3.737 -2.882 55 HE2 PHE 6 HE2 PHE 6 -7.275 -1.221 -2.004 56 HZ PHE 6 HZ PHE 6 -8.422 -2.782 -3.522 57 H THR 7 HN THR 7 -9.079 -4.599 2.388 58 HA THR 7 HA THR 7 -6.467 -3.261 2.509 59 HB THR 7 HB THR 7 -6.830 -4.208 4.676 60 HG1 THR 7 HG1 THR 7 -4.757 -4.650 3.533 61 1HG2 THR 7 HG21 THR 7 -8.638 -5.758 4.108 62 2HG2 THR 7 HG22 THR 7 -7.382 -6.550 5.058 63 3HG2 THR 7 HG23 THR 7 -7.477 -6.825 3.319 64 H SER 8 HN SER 8 -4.995 -3.919 1.034 65 HA SER 8 HA SER 8 -5.299 -6.421 -0.384 66 1HB SER 8 HB2 SER 8 -5.575 -3.760 -1.808 67 2HB SER 8 HB1 SER 8 -5.367 -5.314 -2.615 68 HG SER 8 HG SER 8 -7.374 -5.455 -0.824 69 H VAL 9 HN VAL 9 -3.601 -5.826 -2.532 70 HA VAL 9 HA VAL 9 -1.131 -4.989 -1.168 71 HB VAL 9 HB VAL 9 -1.357 -7.332 -3.071 72 1HG1 VAL 9 HG11 VAL 9 0.798 -6.199 -3.160 73 2HG1 VAL 9 HG12 VAL 9 0.945 -7.799 -2.432 74 3HG1 VAL 9 HG13 VAL 9 0.961 -6.361 -1.411 75 1HG2 VAL 9 HG21 VAL 9 -0.999 -7.314 -0.076 76 2HG2 VAL 9 HG22 VAL 9 -0.890 -8.738 -1.112 77 3HG2 VAL 9 HG23 VAL 9 -2.419 -7.873 -0.960 78 H VAL 10 HN VAL 10 0.171 -3.659 -2.320 79 HA VAL 10 HA VAL 10 -0.517 -3.201 -5.151 80 HB VAL 10 HB VAL 10 -1.142 -1.296 -3.668 81 1HG1 VAL 10 HG11 VAL 10 1.824 -1.103 -3.181 82 2HG1 VAL 10 HG12 VAL 10 0.579 -1.479 -1.989 83 3HG1 VAL 10 HG13 VAL 10 0.634 0.118 -2.734 84 1HG2 VAL 10 HG21 VAL 10 -0.662 -0.885 -6.009 85 2HG2 VAL 10 HG22 VAL 10 1.056 -0.710 -5.647 86 3HG2 VAL 10 HG23 VAL 10 -0.101 0.464 -5.020 87 H ARG 11 HN ARG 11 1.233 -2.776 -6.580 88 HA ARG 11 HA ARG 11 3.588 -4.253 -5.888 89 1HB ARG 11 HB2 ARG 11 2.563 -2.972 -8.368 90 2HB ARG 11 HB1 ARG 11 4.291 -3.268 -8.258 91 1HG ARG 11 HG2 ARG 11 3.335 -5.125 -9.367 92 2HG ARG 11 HG1 ARG 11 3.750 -5.661 -7.740 93 1HD ARG 11 HD2 ARG 11 1.566 -6.501 -8.388 94 2HD ARG 11 HD1 ARG 11 1.419 -5.359 -7.054 95 HE ARG 11 HE ARG 11 0.376 -3.839 -8.467 96 1HH1 ARG 11 HH11 ARG 11 1.361 -6.720 -10.214 97 2HH1 ARG 11 HH12 ARG 11 0.417 -6.328 -11.624 98 1HH2 ARG 11 HH21 ARG 11 -0.839 -3.331 -10.326 99 2HH2 ARG 11 HH22 ARG 11 -0.807 -4.396 -11.700 100 H VAL 12 HN VAL 12 5.545 -3.591 -5.399 101 HA VAL 12 HA VAL 12 6.024 -0.690 -5.164 102 HB VAL 12 HB VAL 12 7.425 -2.890 -3.640 103 1HG1 VAL 12 HG11 VAL 12 8.134 -1.083 -2.156 104 2HG1 VAL 12 HG12 VAL 12 7.302 0.086 -3.181 105 3HG1 VAL 12 HG13 VAL 12 8.682 -0.814 -3.811 106 1HG2 VAL 12 HG21 VAL 12 6.042 -2.286 -1.718 107 2HG2 VAL 12 HG22 VAL 12 5.072 -2.915 -3.050 108 3HG2 VAL 12 HG23 VAL 12 5.119 -1.181 -2.733 109 H ARG 13 HN ARG 13 7.913 0.139 -6.010 110 HA ARG 13 HA ARG 13 9.679 -1.759 -7.405 111 1HB ARG 13 HB2 ARG 13 8.871 0.959 -8.451 112 2HB ARG 13 HB1 ARG 13 9.870 -0.236 -9.274 113 1HG ARG 13 HG2 ARG 13 7.755 -1.744 -9.015 114 2HG ARG 13 HG1 ARG 13 6.925 -0.199 -8.826 115 1HD ARG 13 HD2 ARG 13 8.531 -1.166 -11.175 116 2HD ARG 13 HD1 ARG 13 6.819 -0.752 -11.124 117 HE ARG 13 HE ARG 13 7.927 1.588 -10.487 118 1HH1 ARG 13 HH11 ARG 13 8.774 -0.722 -12.975 119 2HH1 ARG 13 HH12 ARG 13 9.324 0.486 -14.096 120 1HH2 ARG 13 HH21 ARG 13 8.712 3.174 -11.917 121 2HH2 ARG 13 HH22 ARG 13 9.348 2.710 -13.467 122 H GLY 14 HN GLY 14 11.772 -0.503 -8.105 123 1HA GLY 14 HA2 GLY 14 13.449 1.066 -7.499 124 2HA GLY 14 HA1 GLY 14 12.581 1.368 -5.998 125 H SER 15 HN SER 15 15.041 1.077 -5.440 126 HA SER 15 HA SER 15 15.956 -1.634 -5.285 127 1HB SER 15 HB2 SER 15 17.031 0.779 -3.812 128 2HB SER 15 HB1 SER 15 17.880 -0.731 -4.146 129 HG SER 15 HG SER 15 17.185 1.360 -5.896 130 H LYS 16 HN LYS 16 14.597 -2.866 -4.120 131 HA LYS 16 HA LYS 16 14.686 -2.587 -1.246 132 1HB LYS 16 HB2 LYS 16 12.141 -3.026 -1.152 133 2HB LYS 16 HB1 LYS 16 12.681 -1.385 -1.456 134 1HG LYS 16 HG2 LYS 16 10.760 -2.062 -2.853 135 2HG LYS 16 HG1 LYS 16 12.172 -1.585 -3.796 136 1HD LYS 16 HD2 LYS 16 12.714 -3.893 -4.237 137 2HD LYS 16 HD1 LYS 16 11.433 -4.442 -3.159 138 1HE LYS 16 HE2 LYS 16 9.748 -3.691 -4.622 139 2HE LYS 16 HE1 LYS 16 10.898 -2.765 -5.593 140 1HZ LYS 16 HZ1 LYS 16 10.304 -4.793 -6.722 141 2HZ LYS 16 HZ2 LYS 16 10.746 -5.725 -5.381 142 3HZ LYS 16 HZ3 LYS 16 11.930 -4.883 -6.249 143 H LYS 17 HN LYS 17 13.129 -4.582 -0.407 144 HA LYS 17 HA LYS 17 14.009 -6.897 -1.969 145 1HB LYS 17 HB2 LYS 17 14.643 -6.971 0.365 146 2HB LYS 17 HB1 LYS 17 12.979 -6.694 0.863 147 1HG LYS 17 HG2 LYS 17 13.646 -9.034 1.112 148 2HG LYS 17 HG1 LYS 17 12.315 -8.838 -0.030 149 1HD LYS 17 HD2 LYS 17 14.053 -8.859 -1.867 150 2HD LYS 17 HD1 LYS 17 15.219 -9.359 -0.639 151 1HE LYS 17 HE2 LYS 17 13.863 -11.326 -0.147 152 2HE LYS 17 HE1 LYS 17 12.683 -10.823 -1.357 153 1HZ LYS 17 HZ1 LYS 17 14.165 -12.497 -2.241 154 2HZ LYS 17 HZ2 LYS 17 15.516 -11.543 -1.881 155 3HZ LYS 17 HZ3 LYS 17 14.407 -11.025 -3.055 156 H TYR 18 HN TYR 18 11.090 -5.667 -0.333 157 HA TYR 18 HA TYR 18 9.460 -7.749 -1.412 158 1HB TYR 18 HB2 TYR 18 8.802 -5.242 0.121 159 2HB TYR 18 HB1 TYR 18 7.570 -6.368 -0.441 160 HD1 TYR 18 HD1 TYR 18 10.437 -5.953 1.843 161 HD2 TYR 18 HD2 TYR 18 7.207 -8.451 0.659 162 HE1 TYR 18 HE1 TYR 18 10.758 -7.315 3.863 163 HE2 TYR 18 HE2 TYR 18 7.517 -9.822 2.676 164 HH TYR 18 HH TYR 18 9.235 -10.351 4.299 165 H ASN 19 HN ASN 19 8.502 -7.860 -3.277 166 HA ASN 19 HA ASN 19 8.616 -5.645 -5.130 167 1HB ASN 19 HB2 ASN 19 7.334 -8.374 -5.433 168 2HB ASN 19 HB1 ASN 19 7.596 -7.214 -6.731 169 1HD2 ASN 19 HD21 ASN 19 8.552 -9.932 -6.486 170 2HD2 ASN 19 HD22 ASN 19 10.284 -9.851 -6.568 171 H VAL 20 HN VAL 20 6.458 -6.783 -2.804 172 HA VAL 20 HA VAL 20 4.393 -4.936 -3.732 173 HB VAL 20 HB VAL 20 2.620 -6.615 -3.111 174 1HG1 VAL 20 HG11 VAL 20 3.100 -6.130 -5.443 175 2HG1 VAL 20 HG12 VAL 20 2.726 -7.841 -5.239 176 3HG1 VAL 20 HG13 VAL 20 4.399 -7.323 -5.444 177 1HG2 VAL 20 HG21 VAL 20 3.214 -8.985 -3.122 178 2HG2 VAL 20 HG22 VAL 20 4.023 -8.131 -1.807 179 3HG2 VAL 20 HG23 VAL 20 4.919 -8.563 -3.263 180 H VAL 21 HN VAL 21 3.186 -4.005 -2.070 181 HA VAL 21 HA VAL 21 3.941 -4.817 0.663 182 HB VAL 21 HB VAL 21 5.016 -2.667 0.033 183 1HG1 VAL 21 HG11 VAL 21 3.646 -0.646 -0.199 184 2HG1 VAL 21 HG12 VAL 21 2.188 -1.638 -0.171 185 3HG1 VAL 21 HG13 VAL 21 3.343 -1.802 -1.495 186 1HG2 VAL 21 HG21 VAL 21 4.539 -3.108 2.369 187 2HG2 VAL 21 HG22 VAL 21 2.913 -2.452 2.183 188 3HG2 VAL 21 HG23 VAL 21 4.313 -1.395 2.014 189 HA PRO 22 HA PRO 22 -0.462 -5.227 1.259 190 1HB PRO 22 HB2 PRO 22 -0.416 -5.404 3.979 191 2HB PRO 22 HB1 PRO 22 -0.009 -6.749 2.910 192 1HG PRO 22 HG2 PRO 22 1.801 -4.875 4.374 193 2HG PRO 22 HG1 PRO 22 1.953 -6.626 4.136 194 1HD PRO 22 HD2 PRO 22 3.355 -4.826 2.676 195 2HD PRO 22 HD1 PRO 22 2.834 -6.391 2.021 196 H VAL 23 HN VAL 23 -1.886 -3.646 1.203 197 HA VAL 23 HA VAL 23 -1.431 -1.231 2.823 198 HB VAL 23 HB VAL 23 -2.767 0.007 1.175 199 1HG1 VAL 23 HG11 VAL 23 -0.475 -1.515 -0.053 200 2HG1 VAL 23 HG12 VAL 23 -0.348 -0.055 0.927 201 3HG1 VAL 23 HG13 VAL 23 -1.138 0.006 -0.650 202 1HG2 VAL 23 HG21 VAL 23 -4.178 -1.794 0.357 203 2HG2 VAL 23 HG22 VAL 23 -2.778 -2.581 -0.374 204 3HG2 VAL 23 HG23 VAL 23 -3.331 -1.021 -0.982 205 H LYS 24 HN LYS 24 -3.429 -0.103 3.484 206 HA LYS 24 HA LYS 24 -5.783 -1.802 3.747 207 1HB LYS 24 HB2 LYS 24 -5.887 -1.569 6.155 208 2HB LYS 24 HB1 LYS 24 -4.347 -2.293 5.716 209 1HG LYS 24 HG2 LYS 24 -3.357 0.028 5.880 210 2HG LYS 24 HG1 LYS 24 -4.878 0.516 6.629 211 1HD LYS 24 HD2 LYS 24 -4.503 -1.399 8.266 212 2HD LYS 24 HD1 LYS 24 -2.858 -1.474 7.627 213 1HE LYS 24 HE2 LYS 24 -2.829 -0.126 9.603 214 2HE LYS 24 HE1 LYS 24 -2.593 0.934 8.214 215 1HZ LYS 24 HZ1 LYS 24 -5.153 0.526 9.677 216 2HZ LYS 24 HZ2 LYS 24 -4.939 1.535 8.336 217 3HZ LYS 24 HZ3 LYS 24 -4.147 1.889 9.790 218 H SER 25 HN SER 25 -7.468 -0.414 5.141 219 HA SER 25 HA SER 25 -7.466 2.246 3.880 220 1HB SER 25 HB2 SER 25 -9.763 0.525 4.825 221 2HB SER 25 HB1 SER 25 -9.933 2.146 4.153 222 HG SER 25 HG SER 25 -8.623 0.050 2.775 223 H ASN 26 HN ASN 26 -7.484 3.999 5.043 224 HA ASN 26 HA ASN 26 -7.189 4.135 7.818 225 1HB ASN 26 HB2 ASN 26 -6.493 5.972 6.453 226 2HB ASN 26 HB1 ASN 26 -8.098 6.151 5.760 227 1HD2 ASN 26 HD21 ASN 26 -8.211 8.304 6.296 228 2HD2 ASN 26 HD22 ASN 26 -8.460 8.833 7.926 229 H LYS 27 HN LYS 27 -10.062 4.486 5.793 230 HA LYS 27 HA LYS 27 -11.735 4.298 8.205 231 1HB LYS 27 HB2 LYS 27 -12.339 5.792 5.638 232 2HB LYS 27 HB1 LYS 27 -13.424 5.647 7.013 233 1HG LYS 27 HG2 LYS 27 -11.923 6.934 8.388 234 2HG LYS 27 HG1 LYS 27 -10.726 6.980 7.089 235 1HD LYS 27 HD2 LYS 27 -12.380 8.176 5.679 236 2HD LYS 27 HD1 LYS 27 -13.479 8.217 7.058 237 1HE LYS 27 HE2 LYS 27 -10.712 9.417 7.022 238 2HE LYS 27 HE1 LYS 27 -12.201 10.321 6.743 239 1HZ LYS 27 HZ1 LYS 27 -12.938 9.730 8.965 240 2HZ LYS 27 HZ2 LYS 27 -11.442 10.531 9.029 241 3HZ LYS 27 HZ3 LYS 27 -11.514 8.851 9.235 242 HA PRO 28 HA PRO 28 -13.539 0.669 6.389 243 1HB PRO 28 HB2 PRO 28 -16.186 1.675 7.260 244 2HB PRO 28 HB1 PRO 28 -15.354 0.180 7.695 245 1HG PRO 28 HG2 PRO 28 -15.582 2.191 9.440 246 2HG PRO 28 HG1 PRO 28 -14.113 1.198 9.361 247 1HD PRO 28 HD2 PRO 28 -14.609 3.942 8.271 248 2HD PRO 28 HD1 PRO 28 -13.169 3.297 9.086 249 H VAL 29 HN VAL 29 -14.418 0.072 4.473 250 HA VAL 29 HA VAL 29 -15.403 2.272 2.779 251 HB VAL 29 HB VAL 29 -14.097 -0.254 1.797 252 1HG1 VAL 29 HG11 VAL 29 -13.616 1.100 -0.183 253 2HG1 VAL 29 HG12 VAL 29 -14.437 2.472 0.563 254 3HG1 VAL 29 HG13 VAL 29 -15.345 1.016 0.155 255 1HG2 VAL 29 HG21 VAL 29 -12.496 0.724 3.292 256 2HG2 VAL 29 HG22 VAL 29 -12.737 2.320 2.577 257 3HG2 VAL 29 HG23 VAL 29 -11.985 1.034 1.631 258 H GLU 30 HN GLU 30 -17.345 2.040 1.795 259 HA GLU 30 HA GLU 30 -19.135 -0.049 2.198 260 1HB GLU 30 HB2 GLU 30 -18.894 1.813 -0.175 261 2HB GLU 30 HB1 GLU 30 -20.292 0.801 0.165 262 1HG GLU 30 HG2 GLU 30 -19.309 2.758 2.194 263 2HG GLU 30 HG1 GLU 30 -20.316 3.296 0.859 264 H ILE 31 HN ILE 31 -19.080 -2.101 1.564 265 HA ILE 31 HA ILE 31 -16.908 -3.223 0.260 266 HB ILE 31 HB ILE 31 -18.294 -4.509 1.769 267 1HG1 ILE 31 HG12 ILE 31 -18.349 -5.689 -1.018 268 2HG1 ILE 31 HG11 ILE 31 -16.976 -5.728 0.081 269 1HG2 ILE 31 HG21 ILE 31 -20.431 -4.324 -0.350 270 2HG2 ILE 31 HG22 ILE 31 -20.464 -3.581 1.249 271 3HG2 ILE 31 HG23 ILE 31 -20.512 -5.337 1.092 272 1HD1 ILE 31 HD11 ILE 31 -18.147 -7.850 0.056 273 2HD1 ILE 31 HD12 ILE 31 -19.640 -7.046 0.537 274 3HD1 ILE 31 HD13 ILE 31 -18.268 -7.088 1.643 275 H SER 32 HN SER 32 -19.854 -1.988 -1.126 276 HA SER 32 HA SER 32 -19.789 -3.389 -3.567 277 1HB SER 32 HB2 SER 32 -20.938 -0.644 -3.029 278 2HB SER 32 HB1 SER 32 -21.372 -1.723 -4.355 279 HG SER 32 HG SER 32 -21.922 -3.261 -2.555 280 H LYS 33 HN LYS 33 -17.805 -0.846 -2.395 281 HA LYS 33 HA LYS 33 -17.066 -0.033 -5.117 282 1HB LYS 33 HB2 LYS 33 -16.362 1.216 -2.461 283 2HB LYS 33 HB1 LYS 33 -15.866 1.829 -4.031 284 1HG LYS 33 HG2 LYS 33 -18.412 1.884 -4.531 285 2HG LYS 33 HG1 LYS 33 -18.569 1.827 -2.773 286 1HD LYS 33 HD2 LYS 33 -18.581 4.126 -3.493 287 2HD LYS 33 HD1 LYS 33 -17.080 3.801 -2.621 288 1HE LYS 33 HE2 LYS 33 -16.613 5.112 -4.602 289 2HE LYS 33 HE1 LYS 33 -15.923 3.499 -4.773 290 1HZ LYS 33 HZ1 LYS 33 -18.334 4.611 -6.083 291 2HZ LYS 33 HZ2 LYS 33 -18.045 2.943 -6.012 292 3HZ LYS 33 HZ3 LYS 33 -16.947 3.949 -6.814 293 H TRP 34 HN TRP 34 -16.241 -2.515 -3.467 294 HA TRP 34 HA TRP 34 -13.490 -2.454 -2.997 295 1HB TRP 34 HB2 TRP 34 -14.952 -4.350 -2.378 296 2HB TRP 34 HB1 TRP 34 -15.151 -4.751 -4.077 297 HD1 TRP 34 HD1 TRP 34 -12.670 -5.030 -1.200 298 HE1 TRP 34 HE1 TRP 34 -10.775 -6.634 -1.877 299 HE3 TRP 34 HE3 TRP 34 -13.854 -5.660 -6.138 300 HZ2 TRP 34 HZ2 TRP 34 -9.900 -7.991 -4.194 301 HZ3 TRP 34 HZ3 TRP 34 -12.438 -7.128 -7.512 302 HH2 TRP 34 HH2 TRP 34 -10.501 -8.270 -6.559 303 H ILE 35 HN ILE 35 -15.316 -2.947 -5.943 304 HA ILE 35 HA ILE 35 -13.221 -3.731 -7.636 305 HB ILE 35 HB ILE 35 -15.739 -2.238 -8.386 306 1HG1 ILE 35 HG12 ILE 35 -15.242 -5.221 -8.239 307 2HG1 ILE 35 HG11 ILE 35 -16.151 -4.296 -7.048 308 1HG2 ILE 35 HG21 ILE 35 -15.461 -3.316 -10.563 309 2HG2 ILE 35 HG22 ILE 35 -13.944 -4.033 -10.017 310 3HG2 ILE 35 HG23 ILE 35 -14.086 -2.281 -10.174 311 1HD1 ILE 35 HD11 ILE 35 -17.777 -3.698 -8.786 312 2HD1 ILE 35 HD12 ILE 35 -17.644 -5.440 -8.554 313 3HD1 ILE 35 HD13 ILE 35 -16.874 -4.675 -9.944 314 H ASP 36 HN ASP 36 -14.629 -0.554 -6.968 315 HA ASP 36 HA ASP 36 -13.226 1.026 -8.753 316 1HB ASP 36 HB2 ASP 36 -14.005 1.724 -5.908 317 2HB ASP 36 HB1 ASP 36 -13.598 2.882 -7.168 318 H PHE 37 HN PHE 37 -12.378 0.270 -5.395 319 HA PHE 37 HA PHE 37 -9.929 1.654 -5.374 320 1HB PHE 37 HB2 PHE 37 -11.034 -0.566 -3.660 321 2HB PHE 37 HB1 PHE 37 -9.455 0.149 -3.361 322 HD1 PHE 37 HD2 PHE 37 -12.598 1.843 -4.416 323 HD2 PHE 37 HD1 PHE 37 -9.727 1.239 -1.340 324 HE1 PHE 37 HE2 PHE 37 -13.658 3.620 -3.088 325 HE2 PHE 37 HE1 PHE 37 -10.779 3.015 -0.003 326 HZ PHE 37 HZ PHE 37 -12.748 4.209 -0.877 327 H SER 38 HN SER 38 -10.725 -1.718 -6.063 328 HA SER 38 HA SER 38 -8.108 -2.710 -6.219 329 1HB SER 38 HB2 SER 38 -10.027 -4.199 -6.087 330 2HB SER 38 HB1 SER 38 -10.622 -3.620 -7.642 331 HG SER 38 HG SER 38 -8.075 -4.840 -7.330 332 H ASN 39 HN ASN 39 -10.227 -1.365 -8.745 333 HA ASN 39 HA ASN 39 -8.421 -1.867 -10.869 334 1HB ASN 39 HB2 ASN 39 -10.771 0.013 -10.646 335 2HB ASN 39 HB1 ASN 39 -9.846 -0.199 -12.129 336 1HD2 ASN 39 HD21 ASN 39 -12.643 -0.767 -11.671 337 2HD2 ASN 39 HD22 ASN 39 -12.849 -2.456 -12.013 338 H VAL 40 HN VAL 40 -8.704 0.751 -8.590 339 HA VAL 40 HA VAL 40 -7.012 2.533 -10.077 340 HB VAL 40 HB VAL 40 -7.844 2.600 -7.171 341 1HG1 VAL 40 HG11 VAL 40 -7.081 4.937 -7.202 342 2HG1 VAL 40 HG12 VAL 40 -6.450 4.702 -8.832 343 3HG1 VAL 40 HG13 VAL 40 -5.753 3.810 -7.480 344 1HG2 VAL 40 HG21 VAL 40 -9.706 2.860 -8.713 345 2HG2 VAL 40 HG22 VAL 40 -8.836 4.129 -9.576 346 3HG2 VAL 40 HG23 VAL 40 -9.354 4.390 -7.911 347 H LEU 41 HN LEU 41 -6.558 0.356 -7.297 348 HA LEU 41 HA LEU 41 -3.836 1.098 -6.902 349 1HB LEU 41 HB2 LEU 41 -5.429 -1.255 -5.915 350 2HB LEU 41 HB1 LEU 41 -3.770 -0.946 -5.443 351 HG LEU 41 HG LEU 41 -6.134 0.849 -4.889 352 1HD1 LEU 41 HD11 LEU 41 -5.751 0.248 -2.562 353 2HD1 LEU 41 HD12 LEU 41 -4.434 -0.821 -3.043 354 3HD1 LEU 41 HD13 LEU 41 -6.088 -1.186 -3.533 355 1HD2 LEU 41 HD21 LEU 41 -4.562 2.179 -3.573 356 2HD2 LEU 41 HD22 LEU 41 -4.100 2.141 -5.274 357 3HD2 LEU 41 HD23 LEU 41 -3.235 1.145 -4.104 358 H SER 42 HN SER 42 -5.403 -1.364 -8.843 359 HA SER 42 HA SER 42 -3.072 -2.932 -9.277 360 1HB SER 42 HB2 SER 42 -4.402 -3.818 -11.251 361 2HB SER 42 HB1 SER 42 -5.182 -3.971 -9.675 362 HG SER 42 HG SER 42 -6.698 -2.651 -10.299 363 H ARG 43 HN ARG 43 -4.198 0.044 -10.562 364 HA ARG 43 HA ARG 43 -2.255 -0.108 -12.764 365 1HB ARG 43 HB2 ARG 43 -4.576 1.795 -12.374 366 2HB ARG 43 HB1 ARG 43 -3.509 1.745 -13.775 367 1HG ARG 43 HG2 ARG 43 -4.279 -0.484 -14.322 368 2HG ARG 43 HG1 ARG 43 -5.281 -0.514 -12.873 369 1HD ARG 43 HD2 ARG 43 -6.560 1.402 -13.763 370 2HD ARG 43 HD1 ARG 43 -5.596 1.324 -15.239 371 HE ARG 43 HE ARG 43 -6.570 -1.175 -15.057 372 1HH1 ARG 43 HH11 ARG 43 -8.090 1.963 -14.876 373 2HH1 ARG 43 HH12 ARG 43 -9.613 1.405 -15.503 374 1HH2 ARG 43 HH21 ARG 43 -8.564 -1.928 -15.861 375 2HH2 ARG 43 HH22 ARG 43 -9.891 -0.816 -16.059 376 H LEU 44 HN LEU 44 -2.157 0.671 -9.728 377 HA LEU 44 HA LEU 44 -0.611 3.147 -10.119 378 1HB LEU 44 HB2 LEU 44 -2.565 3.384 -8.623 379 2HB LEU 44 HB1 LEU 44 -1.930 2.107 -7.606 380 HG LEU 44 HG LEU 44 0.049 3.532 -7.114 381 1HD1 LEU 44 HD11 LEU 44 -0.011 4.927 -9.117 382 2HD1 LEU 44 HD12 LEU 44 -0.034 5.905 -7.650 383 3HD1 LEU 44 HD13 LEU 44 -1.520 5.659 -8.568 384 1HD2 LEU 44 HD21 LEU 44 -2.638 4.737 -6.459 385 2HD2 LEU 44 HD22 LEU 44 -1.128 5.050 -5.601 386 3HD2 LEU 44 HD23 LEU 44 -1.835 3.436 -5.579 387 H TYR 45 HN TYR 45 1.468 3.246 -9.302 388 HA TYR 45 HA TYR 45 2.540 0.808 -8.059 389 1HB TYR 45 HB2 TYR 45 3.813 2.394 -10.304 390 2HB TYR 45 HB1 TYR 45 4.631 1.130 -9.390 391 HD1 TYR 45 HD2 TYR 45 3.915 -1.214 -9.613 392 HD2 TYR 45 HD1 TYR 45 2.239 1.856 -12.032 393 HE1 TYR 45 HE2 TYR 45 3.033 -2.920 -11.152 394 HE2 TYR 45 HE1 TYR 45 1.352 0.164 -13.580 395 HH TYR 45 HH TYR 45 1.106 -3.069 -12.836 396 H VAL 46 HN VAL 46 4.075 1.131 -6.495 397 HA VAL 46 HA VAL 46 4.690 3.941 -5.860 398 HB VAL 46 HB VAL 46 3.124 2.973 -4.225 399 1HG1 VAL 46 HG11 VAL 46 3.766 0.631 -4.405 400 2HG1 VAL 46 HG12 VAL 46 3.820 1.174 -2.729 401 3HG1 VAL 46 HG13 VAL 46 5.316 0.988 -3.644 402 1HG2 VAL 46 HG21 VAL 46 4.680 4.682 -3.470 403 2HG2 VAL 46 HG22 VAL 46 5.888 3.448 -3.108 404 3HG2 VAL 46 HG23 VAL 46 4.385 3.508 -2.188 405 H GLY 47 HN GLY 47 6.799 4.401 -5.193 406 1HA GLY 47 HA2 GLY 47 8.704 2.177 -5.559 407 2HA GLY 47 HA1 GLY 47 9.005 3.793 -6.185 408 H VAL 48 HN VAL 48 10.794 2.499 -4.539 409 HA VAL 48 HA VAL 48 12.228 3.074 -2.874 410 HB VAL 48 HB VAL 48 10.247 5.264 -2.214 411 1HG1 VAL 48 HG11 VAL 48 11.541 4.689 -0.242 412 2HG1 VAL 48 HG12 VAL 48 12.051 6.253 -0.873 413 3HG1 VAL 48 HG13 VAL 48 13.041 4.822 -1.161 414 1HG2 VAL 48 HG21 VAL 48 11.284 5.532 -4.403 415 2HG2 VAL 48 HG22 VAL 48 12.884 5.361 -3.680 416 3HG2 VAL 48 HG23 VAL 48 11.877 6.751 -3.276 417 HA PRO 49 HA PRO 49 10.615 0.345 0.274 418 1HB PRO 49 HB2 PRO 49 12.710 0.864 2.037 419 2HB PRO 49 HB1 PRO 49 12.709 -0.386 0.789 420 1HG PRO 49 HG2 PRO 49 13.884 2.361 0.721 421 2HG PRO 49 HG1 PRO 49 14.534 0.844 0.066 422 1HD PRO 49 HD2 PRO 49 13.416 2.657 -1.535 423 2HD PRO 49 HD1 PRO 49 13.146 0.922 -1.803 424 H THR 50 HN THR 50 8.911 1.083 1.356 425 HA THR 50 HA THR 50 9.042 3.728 2.580 426 HB THR 50 HB THR 50 6.465 3.273 2.682 427 HG1 THR 50 HG1 THR 50 6.803 1.780 0.380 428 1HG2 THR 50 HG21 THR 50 7.912 3.761 0.072 429 2HG2 THR 50 HG22 THR 50 7.530 4.981 1.287 430 3HG2 THR 50 HG23 THR 50 6.231 4.173 0.411 431 H LYS 51 HN LYS 51 6.803 3.469 4.239 432 HA LYS 51 HA LYS 51 7.882 1.822 6.434 433 1HB LYS 51 HB2 LYS 51 7.326 3.756 7.932 434 2HB LYS 51 HB1 LYS 51 8.618 4.095 6.787 435 1HG LYS 51 HG2 LYS 51 6.850 5.134 5.304 436 2HG LYS 51 HG1 LYS 51 5.763 5.024 6.685 437 1HD LYS 51 HD2 LYS 51 8.409 6.461 6.700 438 2HD LYS 51 HD1 LYS 51 6.847 7.239 6.444 439 1HE LYS 51 HE2 LYS 51 6.118 6.475 8.656 440 2HE LYS 51 HE1 LYS 51 7.692 5.718 8.910 441 1HZ LYS 51 HZ1 LYS 51 7.187 8.617 8.515 442 2HZ LYS 51 HZ2 LYS 51 8.718 7.912 8.685 443 3HZ LYS 51 HZ3 LYS 51 7.616 7.864 9.973 444 H SER 52 HN SER 52 5.896 2.764 8.305 445 HA SER 52 HA SER 52 3.434 1.673 7.146 446 1HB SER 52 HB2 SER 52 4.019 2.393 10.033 447 2HB SER 52 HB1 SER 52 2.585 1.562 9.433 448 HG SER 52 HG SER 52 3.717 -0.239 9.138 449 H GLY 53 HN GLY 53 1.656 2.913 6.759 450 1HA GLY 53 HA2 GLY 53 0.227 4.781 7.167 451 2HA GLY 53 HA1 GLY 53 1.603 5.657 7.825 452 H ASN 54 HN ASN 54 1.957 3.869 4.898 453 HA ASN 54 HA ASN 54 2.700 6.243 3.438 454 1HB ASN 54 HB2 ASN 54 2.326 3.452 2.341 455 2HB ASN 54 HB1 ASN 54 3.287 4.750 1.648 456 1HD2 ASN 54 HD21 ASN 54 3.793 1.949 2.673 457 2HD2 ASN 54 HD22 ASN 54 5.172 2.115 3.698 458 H VAL 55 HN VAL 55 0.909 7.513 3.021 459 HA VAL 55 HA VAL 55 -1.536 6.325 2.081 460 HB VAL 55 HB VAL 55 -0.797 9.257 1.898 461 1HG1 VAL 55 HG11 VAL 55 -2.762 8.624 0.619 462 2HG1 VAL 55 HG12 VAL 55 -3.223 9.602 2.014 463 3HG1 VAL 55 HG13 VAL 55 -3.461 7.855 2.045 464 1HG2 VAL 55 HG21 VAL 55 -1.899 9.578 4.057 465 2HG2 VAL 55 HG22 VAL 55 -0.476 8.543 4.201 466 3HG2 VAL 55 HG23 VAL 55 -2.092 7.831 4.214 467 H VAL 56 HN VAL 56 -1.072 5.223 0.200 468 HA VAL 56 HA VAL 56 0.412 6.432 -1.928 469 HB VAL 56 HB VAL 56 -0.417 4.468 -3.295 470 1HG1 VAL 56 HG11 VAL 56 1.750 4.480 -2.207 471 2HG1 VAL 56 HG12 VAL 56 1.033 2.871 -2.127 472 3HG1 VAL 56 HG13 VAL 56 1.021 3.915 -0.704 473 1HG2 VAL 56 HG21 VAL 56 -1.524 3.599 -0.624 474 2HG2 VAL 56 HG22 VAL 56 -1.397 2.585 -2.062 475 3HG2 VAL 56 HG23 VAL 56 -2.467 3.988 -2.064 476 H CYS 57 HN CYS 57 -3.026 5.734 -1.395 477 HA CYS 57 HA CYS 57 -3.615 7.909 -3.274 478 1HB CYS 57 HB2 CYS 57 -4.071 5.560 -4.200 479 2HB CYS 57 HB1 CYS 57 -5.372 5.471 -3.018 480 HG CYS 57 HG CYS 57 -5.129 7.507 -5.740 481 H LYS 58 HN LYS 58 -4.654 9.488 -2.265 482 HA LYS 58 HA LYS 58 -6.121 8.872 0.212 483 1HB LYS 58 HB2 LYS 58 -4.275 10.491 0.412 484 2HB LYS 58 HB1 LYS 58 -5.020 11.496 -0.822 485 1HG LYS 58 HG2 LYS 58 -6.849 12.028 0.606 486 2HG LYS 58 HG1 LYS 58 -6.332 10.839 1.804 487 1HD LYS 58 HD2 LYS 58 -4.303 12.108 2.221 488 2HD LYS 58 HD1 LYS 58 -4.750 13.268 0.972 489 1HE LYS 58 HE2 LYS 58 -5.215 14.054 3.277 490 2HE LYS 58 HE1 LYS 58 -6.640 14.006 2.243 491 1HZ LYS 58 HZ1 LYS 58 -5.952 11.805 4.110 492 2HZ LYS 58 HZ2 LYS 58 -7.426 12.081 3.322 493 3HZ LYS 58 HZ3 LYS 58 -6.920 13.121 4.558 494 H ASN 59 HN ASN 59 -8.245 9.605 0.483 495 HA ASN 59 HA ASN 59 -10.399 9.675 -0.265 496 1HB ASN 59 HB2 ASN 59 -11.044 11.794 -1.345 497 2HB ASN 59 HB1 ASN 59 -9.962 12.056 0.014 498 1HD2 ASN 59 HD21 ASN 59 -10.383 12.299 -3.412 499 2HD2 ASN 59 HD22 ASN 59 -8.950 13.215 -3.729 500 H ILE 60 HN ILE 60 -8.937 7.892 -1.665 501 HA ILE 60 HA ILE 60 -8.926 8.038 -4.433 502 HB ILE 60 HB ILE 60 -7.727 6.293 -3.365 503 1HG1 ILE 60 HG12 ILE 60 -10.082 5.070 -4.823 504 2HG1 ILE 60 HG11 ILE 60 -8.613 5.692 -5.567 505 1HG2 ILE 60 HG21 ILE 60 -10.350 5.321 -2.247 506 2HG2 ILE 60 HG22 ILE 60 -9.035 6.080 -1.349 507 3HG2 ILE 60 HG23 ILE 60 -8.799 4.495 -2.084 508 1HD1 ILE 60 HD11 ILE 60 -8.575 3.268 -5.445 509 2HD1 ILE 60 HD12 ILE 60 -8.787 3.340 -3.695 510 3HD1 ILE 60 HD13 ILE 60 -7.310 3.963 -4.430 511 H MET 61 HN MET 61 -10.448 8.048 -5.922 512 HA MET 61 HA MET 61 -12.421 7.848 -7.002 513 1HB MET 61 HB2 MET 61 -12.870 5.670 -4.957 514 2HB MET 61 HB1 MET 61 -13.964 5.990 -6.299 515 1HG MET 61 HG2 MET 61 -11.068 5.197 -6.524 516 2HG MET 61 HG1 MET 61 -12.459 4.146 -6.798 517 1HE MET 61 HE1 MET 61 -14.109 5.874 -9.918 518 2HE MET 61 HE2 MET 61 -14.435 6.202 -8.213 519 3HE MET 61 HE3 MET 61 -14.224 4.541 -8.770 520 H ASN 62 HN ASN 62 -12.086 9.669 -4.720 521 HA ASN 62 HA ASN 62 -13.317 11.407 -3.930 522 1HB ASN 62 HB2 ASN 62 -15.613 10.093 -5.396 523 2HB ASN 62 HB1 ASN 62 -15.658 11.699 -4.678 524 1HD2 ASN 62 HD21 ASN 62 -12.990 12.424 -5.403 525 2HD2 ASN 62 HD22 ASN 62 -12.986 12.686 -7.117 526 H THR 63 HN THR 63 -13.192 8.640 -2.640 527 HA THR 63 HA THR 63 -15.619 8.429 -1.122 528 HB THR 63 HB THR 63 -14.399 6.649 0.123 529 HG1 THR 63 HG1 THR 63 -12.290 6.673 -1.692 530 1HG2 THR 63 HG21 THR 63 -15.643 6.124 -1.921 531 2HG2 THR 63 HG22 THR 63 -14.208 5.108 -1.768 532 3HG2 THR 63 HG23 THR 63 -14.207 6.475 -2.882 533 H GLY 64 HN GLY 64 -12.244 9.014 -0.160 534 1HA GLY 64 HA2 GLY 64 -11.856 10.941 1.385 535 2HA GLY 64 HA1 GLY 64 -13.269 10.361 2.260 536 H VAL 65 HN VAL 65 -11.761 7.702 1.122 537 HA VAL 65 HA VAL 65 -10.544 7.111 3.701 538 HB VAL 65 HB VAL 65 -10.924 5.389 1.228 539 1HG1 VAL 65 HG11 VAL 65 -9.004 4.622 2.486 540 2HG1 VAL 65 HG12 VAL 65 -10.348 3.499 2.698 541 3HG1 VAL 65 HG13 VAL 65 -9.941 4.642 3.978 542 1HG2 VAL 65 HG21 VAL 65 -13.030 5.948 2.294 543 2HG2 VAL 65 HG22 VAL 65 -12.393 5.430 3.856 544 3HG2 VAL 65 HG23 VAL 65 -12.633 4.251 2.570 545 H ASP 66 HN ASP 66 -8.417 6.873 4.064 546 HA ASP 66 HA ASP 66 -6.538 7.541 1.931 547 1HB ASP 66 HB2 ASP 66 -6.035 7.112 4.893 548 2HB ASP 66 HB1 ASP 66 -4.885 7.753 3.729 549 H ILE 67 HN ILE 67 -5.807 5.863 0.762 550 HA ILE 67 HA ILE 67 -5.712 3.200 1.898 551 HB ILE 67 HB ILE 67 -4.748 4.159 -0.809 552 1HG1 ILE 67 HG12 ILE 67 -7.153 4.462 -0.566 553 2HG1 ILE 67 HG11 ILE 67 -6.827 3.118 -1.654 554 1HG2 ILE 67 HG21 ILE 67 -4.789 1.778 -1.420 555 2HG2 ILE 67 HG22 ILE 67 -5.199 1.366 0.245 556 3HG2 ILE 67 HG23 ILE 67 -3.640 2.105 -0.121 557 1HD1 ILE 67 HD11 ILE 67 -7.645 2.910 1.235 558 2HD1 ILE 67 HD12 ILE 67 -7.282 1.547 0.176 559 3HD1 ILE 67 HD13 ILE 67 -8.661 2.591 -0.172 560 H ILE 68 HN ILE 68 -4.116 2.748 3.256 561 HA ILE 68 HA ILE 68 -1.505 4.005 2.752 562 HB ILE 68 HB ILE 68 -1.138 4.021 5.198 563 1HG1 ILE 68 HG12 ILE 68 -4.074 3.279 5.336 564 2HG1 ILE 68 HG11 ILE 68 -2.731 2.244 5.816 565 1HG2 ILE 68 HG21 ILE 68 -1.888 6.023 4.053 566 2HG2 ILE 68 HG22 ILE 68 -2.598 5.931 5.664 567 3HG2 ILE 68 HG23 ILE 68 -3.570 5.528 4.249 568 1HD1 ILE 68 HD11 ILE 68 -3.510 4.857 7.088 569 2HD1 ILE 68 HD12 ILE 68 -2.137 3.857 7.562 570 3HD1 ILE 68 HD13 ILE 68 -3.780 3.244 7.751 571 H CYS 69 HN CYS 69 0.202 2.743 2.619 572 HA CYS 69 HA CYS 69 0.024 -0.096 3.130 573 1HB CYS 69 HB2 CYS 69 2.651 1.296 2.815 574 2HB CYS 69 HB1 CYS 69 2.127 -0.261 2.182 575 HG CYS 69 HG CYS 69 1.033 0.589 -0.057 576 H THR 70 HN THR 70 1.190 -1.224 4.838 577 HA THR 70 HA THR 70 1.854 0.559 7.079 578 HB THR 70 HB THR 70 -0.473 -0.163 7.337 579 HG1 THR 70 HG1 THR 70 1.376 -1.317 9.174 580 1HG2 THR 70 HG21 THR 70 -1.028 -2.510 7.740 581 2HG2 THR 70 HG22 THR 70 0.644 -2.965 7.413 582 3HG2 THR 70 HG23 THR 70 -0.351 -2.286 6.126 583 H LYS 71 HN LYS 71 3.307 -1.496 5.201 584 HA LYS 71 HA LYS 71 4.644 -2.870 7.431 585 1HB LYS 71 HB2 LYS 71 3.646 -4.418 5.775 586 2HB LYS 71 HB1 LYS 71 4.660 -3.700 4.526 587 1HG LYS 71 HG2 LYS 71 6.650 -4.474 5.599 588 2HG LYS 71 HG1 LYS 71 5.741 -5.008 7.012 589 1HD LYS 71 HD2 LYS 71 4.544 -6.625 5.516 590 2HD LYS 71 HD1 LYS 71 5.664 -6.170 4.230 591 1HE LYS 71 HE2 LYS 71 7.539 -6.956 5.499 592 2HE LYS 71 HE1 LYS 71 6.530 -7.224 6.918 593 1HZ LYS 71 HZ1 LYS 71 6.417 -8.720 4.357 594 2HZ LYS 71 HZ2 LYS 71 5.311 -8.915 5.621 595 3HZ LYS 71 HZ3 LYS 71 6.945 -9.305 5.856 596 H ASN 72 HN ASN 72 6.557 -2.143 7.948 597 HA ASN 72 HA ASN 72 7.939 -0.162 6.462 598 1HB ASN 72 HB2 ASN 72 9.128 -1.921 8.623 599 2HB ASN 72 HB1 ASN 72 9.649 -0.309 8.143 600 1HD2 ASN 72 HD21 ASN 72 6.787 0.492 7.897 601 2HD2 ASN 72 HD22 ASN 72 6.230 0.744 9.515 602 H LEU 73 HN LEU 73 8.938 -0.582 4.579 603 HA LEU 73 HA LEU 73 9.663 -3.322 3.943 604 1HB LEU 73 HB2 LEU 73 9.674 -0.829 2.247 605 2HB LEU 73 HB1 LEU 73 10.019 -2.445 1.661 606 HG LEU 73 HG LEU 73 7.385 -1.505 2.799 607 1HD1 LEU 73 HD11 LEU 73 8.230 -2.171 -0.017 608 2HD1 LEU 73 HD12 LEU 73 7.791 -0.579 0.605 609 3HD1 LEU 73 HD13 LEU 73 6.575 -1.853 0.500 610 1HD2 LEU 73 HD21 LEU 73 8.171 -4.173 1.630 611 2HD2 LEU 73 HD22 LEU 73 6.540 -3.688 2.092 612 3HD2 LEU 73 HD23 LEU 73 7.792 -3.846 3.323 613 HA PRO 74 HA PRO 74 13.982 -2.337 4.680 614 1HB PRO 74 HB2 PRO 74 14.847 -4.862 4.847 615 2HB PRO 74 HB1 PRO 74 13.907 -4.130 6.155 616 1HG PRO 74 HG2 PRO 74 13.026 -6.026 4.019 617 2HG PRO 74 HG1 PRO 74 12.579 -5.985 5.733 618 1HD PRO 74 HD2 PRO 74 11.039 -4.960 3.671 619 2HD PRO 74 HD1 PRO 74 10.908 -4.478 5.373 620 H LYS 75 HN LYS 75 15.945 -2.695 3.471 621 HA LYS 75 HA LYS 75 15.430 -3.387 0.657 622 1HB LYS 75 HB2 LYS 75 17.781 -1.876 1.812 623 2HB LYS 75 HB1 LYS 75 17.335 -2.012 0.115 624 1HG LYS 75 HG2 LYS 75 15.365 -0.695 0.470 625 2HG LYS 75 HG1 LYS 75 15.645 -0.674 2.212 626 1HD LYS 75 HD2 LYS 75 16.342 1.433 1.297 627 2HD LYS 75 HD1 LYS 75 17.777 0.537 1.790 628 1HE LYS 75 HE2 LYS 75 18.226 -0.091 -0.493 629 2HE LYS 75 HE1 LYS 75 16.716 0.646 -1.027 630 1HZ LYS 75 HZ1 LYS 75 18.994 2.108 0.200 631 2HZ LYS 75 HZ2 LYS 75 17.557 2.803 -0.374 632 3HZ LYS 75 HZ3 LYS 75 18.637 2.070 -1.457 633 H ASP 76 HN ASP 76 17.398 -4.052 3.451 634 HA ASP 76 HA ASP 76 18.970 -6.013 1.923 635 1HB ASP 76 HB2 ASP 76 19.614 -4.690 4.565 636 2HB ASP 76 HB1 ASP 76 20.648 -5.828 3.708 637 H SER 77 HN SER 77 18.729 -8.100 2.349 638 HA SER 77 HA SER 77 17.195 -8.983 4.637 639 1HB SER 77 HB2 SER 77 18.705 -10.519 2.503 640 2HB SER 77 HB1 SER 77 17.715 -11.263 3.754 641 HG SER 77 HG SER 77 15.938 -10.632 2.760 642 H LEU 78 HN LEU 78 18.307 -8.543 6.499 643 HA LEU 78 HA LEU 78 21.083 -8.824 6.864 644 1HB LEU 78 HB2 LEU 78 18.864 -9.026 8.906 645 2HB LEU 78 HB1 LEU 78 20.564 -8.830 9.284 646 HG LEU 78 HG LEU 78 18.835 -6.826 7.829 647 1HD1 LEU 78 HD11 LEU 78 19.989 -6.801 10.614 648 2HD1 LEU 78 HD12 LEU 78 18.289 -6.995 10.190 649 3HD1 LEU 78 HD13 LEU 78 19.114 -5.474 9.849 650 1HD2 LEU 78 HD21 LEU 78 21.716 -6.645 8.713 651 2HD2 LEU 78 HD22 LEU 78 20.763 -5.331 8.023 652 3HD2 LEU 78 HD23 LEU 78 21.143 -6.751 7.048 653 H GLU 79 HN GLU 79 22.126 -10.668 6.505 654 HA GLU 79 HA GLU 79 20.874 -13.180 6.421 655 1HB GLU 79 HB2 GLU 79 23.825 -12.585 6.667 656 2HB GLU 79 HB1 GLU 79 23.114 -14.099 6.122 657 1HG GLU 79 HG2 GLU 79 22.055 -12.799 4.247 658 2HG GLU 79 HG1 GLU 79 23.057 -11.433 4.736 659 H HIS 80 HN HIS 80 20.100 -14.252 8.074 660 HA HIS 80 HA HIS 80 21.041 -13.817 10.751 661 1HB HIS 80 HB2 HIS 80 19.016 -15.798 9.684 662 2HB HIS 80 HB1 HIS 80 19.336 -15.507 11.388 663 HD1 HIS 80 HD1 HIS 80 17.965 -13.730 12.483 664 HD2 HIS 80 HD2 HIS 80 17.898 -13.448 8.334 665 HE1 HIS 80 HE1 HIS 80 16.272 -11.948 11.945 666 HE2 HIS 80 HE2 HIS 80 16.407 -11.653 9.446 667 H HIS 81 HN HIS 81 23.259 -14.492 10.256 668 HA HIS 81 HA HIS 81 23.704 -17.354 10.027 669 1HB HIS 81 HB2 HIS 81 25.302 -14.943 9.711 670 2HB HIS 81 HB1 HIS 81 26.138 -16.156 10.678 671 HD1 HIS 81 HD1 HIS 81 27.307 -15.504 7.958 672 HD2 HIS 81 HD2 HIS 81 24.451 -18.476 8.570 673 HE1 HIS 81 HE1 HIS 81 27.559 -17.109 6.036 674 HE2 HIS 81 HE2 HIS 81 25.812 -18.884 6.409 675 H HIS 82 HN HIS 82 24.746 -18.623 11.673 676 HA HIS 82 HA HIS 82 24.479 -17.512 14.376 677 1HB HIS 82 HB2 HIS 82 22.303 -18.544 13.618 678 2HB HIS 82 HB1 HIS 82 23.142 -20.085 13.517 679 HD1 HIS 82 HD1 HIS 82 22.665 -21.489 15.475 680 HD2 HIS 82 HD2 HIS 82 22.764 -17.450 16.469 681 HE1 HIS 82 HE1 HIS 82 22.183 -21.381 17.944 682 HE2 HIS 82 HE2 HIS 82 22.178 -18.929 18.510 683 H HIS 83 HN HIS 83 26.738 -18.441 12.651 684 HA HIS 83 HA HIS 83 27.818 -20.395 14.576 685 1HB HIS 83 HB2 HIS 83 27.212 -21.439 12.335 686 2HB HIS 83 HB1 HIS 83 28.478 -20.441 11.626 687 HD1 HIS 83 HD1 HIS 83 30.898 -21.212 11.938 688 HD2 HIS 83 HD2 HIS 83 28.136 -23.495 14.057 689 HE1 HIS 83 HE1 HIS 83 32.168 -23.210 12.785 690 HE2 HIS 83 HE2 HIS 83 30.431 -24.672 13.878 691 H HIS 84 HN HIS 84 29.148 -19.113 15.709 692 HA HIS 84 HA HIS 84 30.919 -17.791 16.245 693 1HB HIS 84 HB2 HIS 84 32.218 -19.188 14.666 694 2HB HIS 84 HB1 HIS 84 31.727 -18.146 13.338 695 HD1 HIS 84 HD1 HIS 84 33.494 -16.567 12.685 696 HD2 HIS 84 HD2 HIS 84 33.653 -17.458 16.746 697 HE1 HIS 84 HE1 HIS 84 35.430 -15.249 13.596 698 HE2 HIS 84 HE2 HIS 84 35.395 -15.660 16.078 699 H HIS 85 HN HIS 85 28.365 -16.832 15.250 700 HA HIS 85 HA HIS 85 29.065 -14.308 13.938 701 1HB HIS 85 HB2 HIS 85 27.263 -15.658 12.925 702 2HB HIS 85 HB1 HIS 85 26.355 -15.568 14.428 703 HD1 HIS 85 HD1 HIS 85 27.442 -13.468 11.510 704 HD2 HIS 85 HD2 HIS 85 24.925 -13.224 14.810 705 HE1 HIS 85 HE1 HIS 85 26.061 -11.393 11.157 706 HE2 HIS 85 HE2 HIS 85 24.682 -11.166 13.259 Start of MODEL 8 1 1H MET 1 HT1 MET 1 -25.551 -2.726 4.065 2 2H MET 1 HT2 MET 1 -24.557 -3.990 4.610 3 3H MET 1 HT3 MET 1 -23.862 -2.597 3.941 4 HA MET 1 HA MET 1 -24.774 -1.275 5.764 5 1HB MET 1 HB2 MET 1 -26.632 -2.795 6.322 6 2HB MET 1 HB1 MET 1 -25.478 -3.991 6.899 7 1HG MET 1 HG2 MET 1 -26.493 -2.773 8.744 8 2HG MET 1 HG1 MET 1 -24.757 -2.476 8.659 9 1HE MET 1 HE1 MET 1 -26.578 -0.662 10.421 10 2HE MET 1 HE2 MET 1 -26.026 0.952 9.975 11 3HE MET 1 HE3 MET 1 -24.858 -0.353 10.186 12 H HIS 2 HN HIS 2 -23.137 -4.423 5.855 13 HA HIS 2 HA HIS 2 -21.273 -3.651 7.863 14 1HB HIS 2 HB2 HIS 2 -21.712 -6.001 7.488 15 2HB HIS 2 HB1 HIS 2 -21.197 -5.875 5.811 16 HD1 HIS 2 HD1 HIS 2 -19.794 -5.868 9.330 17 HD2 HIS 2 HD2 HIS 2 -18.496 -6.197 5.387 18 HE1 HIS 2 HE1 HIS 2 -17.366 -6.507 9.458 19 HE2 HIS 2 HE2 HIS 2 -16.562 -6.562 7.071 20 H LYS 3 HN LYS 3 -20.031 -1.935 7.514 21 HA LYS 3 HA LYS 3 -18.631 -1.674 4.961 22 1HB LYS 3 HB2 LYS 3 -18.788 0.221 7.315 23 2HB LYS 3 HB1 LYS 3 -17.971 0.554 5.792 24 1HG LYS 3 HG2 LYS 3 -20.094 0.382 4.606 25 2HG LYS 3 HG1 LYS 3 -20.920 0.040 6.126 26 1HD LYS 3 HD2 LYS 3 -20.182 2.246 6.968 27 2HD LYS 3 HD1 LYS 3 -19.473 2.582 5.387 28 1HE LYS 3 HE2 LYS 3 -21.675 2.340 4.351 29 2HE LYS 3 HE1 LYS 3 -22.383 1.997 5.926 30 1HZ LYS 3 HZ1 LYS 3 -21.170 4.550 5.024 31 2HZ LYS 3 HZ2 LYS 3 -21.609 4.237 6.631 32 3HZ LYS 3 HZ3 LYS 3 -22.793 4.257 5.415 33 H ASP 4 HN ASP 4 -16.473 -2.033 4.779 34 HA ASP 4 HA ASP 4 -15.169 -3.093 7.202 35 1HB ASP 4 HB2 ASP 4 -16.132 -4.694 5.286 36 2HB ASP 4 HB1 ASP 4 -14.582 -4.313 4.545 37 H ILE 5 HN ILE 5 -12.763 -3.398 6.823 38 HA ILE 5 HA ILE 5 -11.677 -0.951 5.680 39 HB ILE 5 HB ILE 5 -10.336 -3.192 7.211 40 1HG1 ILE 5 HG12 ILE 5 -11.903 -1.855 8.559 41 2HG1 ILE 5 HG11 ILE 5 -10.236 -1.589 9.060 42 1HG2 ILE 5 HG21 ILE 5 -8.756 -2.132 5.707 43 2HG2 ILE 5 HG22 ILE 5 -8.402 -1.692 7.379 44 3HG2 ILE 5 HG23 ILE 5 -9.213 -0.542 6.316 45 1HD1 ILE 5 HD11 ILE 5 -11.898 0.242 7.344 46 2HD1 ILE 5 HD12 ILE 5 -10.211 0.511 7.789 47 3HD1 ILE 5 HD13 ILE 5 -11.459 0.491 9.034 48 H PHE 6 HN PHE 6 -11.566 -1.088 3.481 49 HA PHE 6 HA PHE 6 -11.042 -3.421 2.020 50 1HB PHE 6 HB2 PHE 6 -11.972 -1.433 0.961 51 2HB PHE 6 HB1 PHE 6 -10.475 -0.552 1.244 52 HD1 PHE 6 HD2 PHE 6 -11.997 -3.339 -0.637 53 HD2 PHE 6 HD1 PHE 6 -8.644 -0.747 -0.237 54 HE1 PHE 6 HE2 PHE 6 -11.138 -4.110 -2.812 55 HE2 PHE 6 HE1 PHE 6 -7.786 -1.513 -2.406 56 HZ PHE 6 HZ PHE 6 -9.031 -3.198 -3.696 57 H THR 7 HN THR 7 -9.323 -4.638 1.973 58 HA THR 7 HA THR 7 -6.672 -3.395 2.264 59 HB THR 7 HB THR 7 -7.480 -6.140 3.264 60 HG1 THR 7 HG1 THR 7 -8.340 -4.261 4.449 61 1HG2 THR 7 HG21 THR 7 -4.936 -4.555 3.630 62 2HG2 THR 7 HG22 THR 7 -5.125 -5.998 2.633 63 3HG2 THR 7 HG23 THR 7 -5.294 -6.106 4.387 64 H SER 8 HN SER 8 -5.250 -3.879 0.660 65 HA SER 8 HA SER 8 -5.765 -6.170 -1.079 66 1HB SER 8 HB2 SER 8 -6.973 -4.178 -2.038 67 2HB SER 8 HB1 SER 8 -5.411 -3.376 -2.194 68 HG SER 8 HG SER 8 -6.547 -5.060 -3.884 69 H VAL 9 HN VAL 9 -3.893 -5.781 -2.999 70 HA VAL 9 HA VAL 9 -1.385 -5.185 -1.576 71 HB VAL 9 HB VAL 9 -1.807 -7.588 -3.375 72 1HG1 VAL 9 HG11 VAL 9 0.481 -8.201 -2.714 73 2HG1 VAL 9 HG12 VAL 9 0.622 -6.679 -1.835 74 3HG1 VAL 9 HG13 VAL 9 0.428 -6.670 -3.586 75 1HG2 VAL 9 HG21 VAL 9 -2.868 -7.926 -1.210 76 2HG2 VAL 9 HG22 VAL 9 -1.378 -7.458 -0.389 77 3HG2 VAL 9 HG23 VAL 9 -1.428 -8.933 -1.354 78 H VAL 10 HN VAL 10 -0.166 -3.789 -2.680 79 HA VAL 10 HA VAL 10 -0.697 -3.478 -5.562 80 HB VAL 10 HB VAL 10 0.042 -1.165 -5.386 81 1HG1 VAL 10 HG11 VAL 10 -2.060 -1.860 -3.347 82 2HG1 VAL 10 HG12 VAL 10 -2.310 -1.615 -5.076 83 3HG1 VAL 10 HG13 VAL 10 -1.808 -0.266 -4.057 84 1HG2 VAL 10 HG21 VAL 10 1.662 -1.369 -3.587 85 2HG2 VAL 10 HG22 VAL 10 0.368 -1.718 -2.440 86 3HG2 VAL 10 HG23 VAL 10 0.469 -0.129 -3.197 87 H ARG 11 HN ARG 11 1.196 -2.713 -6.840 88 HA ARG 11 HA ARG 11 3.497 -4.334 -6.087 89 1HB ARG 11 HB2 ARG 11 2.625 -3.078 -8.676 90 2HB ARG 11 HB1 ARG 11 4.241 -3.741 -8.470 91 1HG ARG 11 HG2 ARG 11 3.200 -5.911 -7.848 92 2HG ARG 11 HG1 ARG 11 1.631 -5.217 -8.261 93 1HD ARG 11 HD2 ARG 11 2.321 -4.873 -10.535 94 2HD ARG 11 HD1 ARG 11 3.968 -5.369 -10.154 95 HE ARG 11 HE ARG 11 1.978 -7.380 -9.591 96 1HH1 ARG 11 HH11 ARG 11 4.182 -6.049 -11.966 97 2HH1 ARG 11 HH12 ARG 11 4.179 -7.468 -12.965 98 1HH2 ARG 11 HH21 ARG 11 1.984 -9.267 -10.887 99 2HH2 ARG 11 HH22 ARG 11 2.931 -9.313 -12.341 100 H VAL 12 HN VAL 12 5.388 -3.572 -5.497 101 HA VAL 12 HA VAL 12 5.794 -0.657 -5.531 102 HB VAL 12 HB VAL 12 7.275 -2.651 -3.818 103 1HG1 VAL 12 HG11 VAL 12 8.359 -0.500 -4.086 104 2HG1 VAL 12 HG12 VAL 12 7.766 -0.698 -2.437 105 3HG1 VAL 12 HG13 VAL 12 6.885 0.323 -3.573 106 1HG2 VAL 12 HG21 VAL 12 5.784 -2.041 -1.976 107 2HG2 VAL 12 HG22 VAL 12 4.920 -2.849 -3.285 108 3HG2 VAL 12 HG23 VAL 12 4.797 -1.099 -3.095 109 H ARG 13 HN ARG 13 7.247 0.062 -6.945 110 HA ARG 13 HA ARG 13 9.216 -1.830 -8.024 111 1HB ARG 13 HB2 ARG 13 8.380 0.903 -9.024 112 2HB ARG 13 HB1 ARG 13 9.555 -0.147 -9.806 113 1HG ARG 13 HG2 ARG 13 7.748 -1.843 -10.079 114 2HG ARG 13 HG1 ARG 13 6.607 -0.651 -9.454 115 1HD ARG 13 HD2 ARG 13 8.302 -0.401 -11.940 116 2HD ARG 13 HD1 ARG 13 6.556 -0.654 -11.877 117 HE ARG 13 HE ARG 13 6.348 1.581 -10.967 118 1HH1 ARG 13 HH11 ARG 13 9.439 0.763 -12.399 119 2HH1 ARG 13 HH12 ARG 13 9.896 2.417 -12.663 120 1HH2 ARG 13 HH21 ARG 13 6.919 3.741 -11.328 121 2HH2 ARG 13 HH22 ARG 13 8.459 4.129 -12.044 122 H GLY 14 HN GLY 14 11.452 -1.160 -8.197 123 1HA GLY 14 HA2 GLY 14 13.017 0.715 -7.629 124 2HA GLY 14 HA1 GLY 14 12.140 0.816 -6.109 125 H SER 15 HN SER 15 14.821 0.522 -6.048 126 HA SER 15 HA SER 15 15.564 -2.254 -5.906 127 1HB SER 15 HB2 SER 15 17.759 -1.177 -5.057 128 2HB SER 15 HB1 SER 15 17.270 -0.873 -6.727 129 HG SER 15 HG SER 15 17.388 0.860 -4.553 130 H LYS 16 HN LYS 16 14.170 -3.001 -4.266 131 HA LYS 16 HA LYS 16 15.286 -2.670 -1.612 132 1HB LYS 16 HB2 LYS 16 12.833 -2.563 -0.715 133 2HB LYS 16 HB1 LYS 16 13.635 -1.089 -1.227 134 1HG LYS 16 HG2 LYS 16 11.270 -1.279 -1.959 135 2HG LYS 16 HG1 LYS 16 12.416 -1.054 -3.282 136 1HD LYS 16 HD2 LYS 16 12.342 -3.455 -3.750 137 2HD LYS 16 HD1 LYS 16 11.204 -3.678 -2.420 138 1HE LYS 16 HE2 LYS 16 9.479 -3.039 -3.661 139 2HE LYS 16 HE1 LYS 16 10.340 -1.628 -4.276 140 1HZ LYS 16 HZ1 LYS 16 11.371 -2.972 -5.947 141 2HZ LYS 16 HZ2 LYS 16 9.697 -3.248 -6.011 142 3HZ LYS 16 HZ3 LYS 16 10.719 -4.394 -5.290 143 H LYS 17 HN LYS 17 13.660 -4.207 -0.125 144 HA LYS 17 HA LYS 17 14.010 -6.804 -1.362 145 1HB LYS 17 HB2 LYS 17 14.249 -5.851 1.235 146 2HB LYS 17 HB1 LYS 17 12.781 -6.817 1.277 147 1HG LYS 17 HG2 LYS 17 15.510 -7.732 0.394 148 2HG LYS 17 HG1 LYS 17 14.679 -8.175 1.887 149 1HD LYS 17 HD2 LYS 17 12.939 -9.297 0.598 150 2HD LYS 17 HD1 LYS 17 13.726 -8.813 -0.907 151 1HE LYS 17 HE2 LYS 17 15.744 -10.089 -0.170 152 2HE LYS 17 HE1 LYS 17 14.805 -10.687 1.198 153 1HZ LYS 17 HZ1 LYS 17 14.182 -11.111 -1.675 154 2HZ LYS 17 HZ2 LYS 17 13.222 -11.645 -0.385 155 3HZ LYS 17 HZ3 LYS 17 14.780 -12.277 -0.599 156 H TYR 18 HN TYR 18 11.327 -5.195 0.364 157 HA TYR 18 HA TYR 18 9.418 -7.129 -0.499 158 1HB TYR 18 HB2 TYR 18 9.495 -4.926 1.342 159 2HB TYR 18 HB1 TYR 18 8.067 -4.786 0.323 160 HD1 TYR 18 HD2 TYR 18 6.606 -6.925 0.108 161 HD2 TYR 18 HD1 TYR 18 9.440 -6.302 3.219 162 HE1 TYR 18 HE2 TYR 18 5.435 -8.583 1.494 163 HE2 TYR 18 HE1 TYR 18 8.277 -7.959 4.617 164 HH TYR 18 HH TYR 18 5.923 -10.081 3.388 165 H ASN 19 HN ASN 19 8.770 -7.285 -2.533 166 HA ASN 19 HA ASN 19 8.828 -4.928 -4.250 167 1HB ASN 19 HB2 ASN 19 8.396 -7.856 -4.853 168 2HB ASN 19 HB1 ASN 19 8.337 -6.591 -6.076 169 1HD2 ASN 19 HD21 ASN 19 10.121 -8.863 -5.849 170 2HD2 ASN 19 HD22 ASN 19 11.725 -8.215 -5.778 171 H VAL 20 HN VAL 20 6.556 -6.689 -2.449 172 HA VAL 20 HA VAL 20 4.397 -5.167 -3.720 173 HB VAL 20 HB VAL 20 2.850 -7.131 -3.359 174 1HG1 VAL 20 HG11 VAL 20 3.606 -6.520 -5.579 175 2HG1 VAL 20 HG12 VAL 20 3.507 -8.276 -5.431 176 3HG1 VAL 20 HG13 VAL 20 5.075 -7.471 -5.364 177 1HG2 VAL 20 HG21 VAL 20 4.257 -8.420 -1.834 178 2HG2 VAL 20 HG22 VAL 20 5.442 -8.658 -3.117 179 3HG2 VAL 20 HG23 VAL 20 3.835 -9.367 -3.259 180 H VAL 21 HN VAL 21 3.162 -4.112 -2.269 181 HA VAL 21 HA VAL 21 3.413 -4.975 0.535 182 HB VAL 21 HB VAL 21 4.587 -2.853 0.158 183 1HG1 VAL 21 HG11 VAL 21 3.269 -1.980 -1.700 184 2HG1 VAL 21 HG12 VAL 21 3.350 -0.812 -0.382 185 3HG1 VAL 21 HG13 VAL 21 1.887 -1.765 -0.628 186 1HG2 VAL 21 HG21 VAL 21 3.468 -3.379 2.305 187 2HG2 VAL 21 HG22 VAL 21 2.077 -2.437 1.769 188 3HG2 VAL 21 HG23 VAL 21 3.640 -1.651 2.000 189 HA PRO 22 HA PRO 22 -1.070 -5.213 0.520 190 1HB PRO 22 HB2 PRO 22 -1.291 -5.665 3.202 191 2HB PRO 22 HB1 PRO 22 -0.920 -6.932 2.028 192 1HG PRO 22 HG2 PRO 22 0.921 -5.417 3.830 193 2HG PRO 22 HG1 PRO 22 0.930 -7.139 3.408 194 1HD PRO 22 HD2 PRO 22 2.621 -5.353 2.278 195 2HD PRO 22 HD1 PRO 22 2.013 -6.777 1.410 196 H VAL 23 HN VAL 23 -2.337 -3.521 0.554 197 HA VAL 23 HA VAL 23 -1.731 -1.278 2.360 198 HB VAL 23 HB VAL 23 -2.848 0.180 0.687 199 1HG1 VAL 23 HG11 VAL 23 -0.524 -1.414 -0.385 200 2HG1 VAL 23 HG12 VAL 23 -0.420 -0.028 0.700 201 3HG1 VAL 23 HG13 VAL 23 -1.025 0.182 -0.945 202 1HG2 VAL 23 HG21 VAL 23 -4.250 -1.508 -0.385 203 2HG2 VAL 23 HG22 VAL 23 -2.812 -2.290 -1.045 204 3HG2 VAL 23 HG23 VAL 23 -3.253 -0.664 -1.570 205 H LYS 24 HN LYS 24 -3.613 -0.021 3.039 206 HA LYS 24 HA LYS 24 -6.107 -1.541 3.121 207 1HB LYS 24 HB2 LYS 24 -6.204 -1.264 5.591 208 2HB LYS 24 HB1 LYS 24 -4.890 -2.309 5.064 209 1HG LYS 24 HG2 LYS 24 -3.418 -0.220 5.198 210 2HG LYS 24 HG1 LYS 24 -4.743 0.490 6.121 211 1HD LYS 24 HD2 LYS 24 -3.309 -2.072 6.810 212 2HD LYS 24 HD1 LYS 24 -3.011 -0.505 7.561 213 1HE LYS 24 HE2 LYS 24 -5.339 -0.461 8.344 214 2HE LYS 24 HE1 LYS 24 -5.598 -2.053 7.628 215 1HZ LYS 24 HZ1 LYS 24 -3.906 -2.954 9.094 216 2HZ LYS 24 HZ2 LYS 24 -5.128 -2.203 9.997 217 3HZ LYS 24 HZ3 LYS 24 -3.639 -1.422 9.771 218 H SER 25 HN SER 25 -7.777 -0.206 4.421 219 HA SER 25 HA SER 25 -7.569 2.592 3.519 220 1HB SER 25 HB2 SER 25 -10.068 1.019 4.168 221 2HB SER 25 HB1 SER 25 -9.978 2.598 3.386 222 HG SER 25 HG SER 25 -8.648 0.392 2.256 223 H ASN 26 HN ASN 26 -7.491 4.152 5.009 224 HA ASN 26 HA ASN 26 -7.386 3.560 7.769 225 1HB ASN 26 HB2 ASN 26 -7.218 5.970 8.114 226 2HB ASN 26 HB1 ASN 26 -6.196 5.473 6.771 227 1HD2 ASN 26 HD21 ASN 26 -7.274 8.082 7.404 228 2HD2 ASN 26 HD22 ASN 26 -8.167 8.576 6.003 229 H LYS 27 HN LYS 27 -9.959 4.602 5.667 230 HA LYS 27 HA LYS 27 -11.790 4.655 7.974 231 1HB LYS 27 HB2 LYS 27 -12.178 5.841 5.214 232 2HB LYS 27 HB1 LYS 27 -13.311 5.955 6.554 233 1HG LYS 27 HG2 LYS 27 -11.726 7.278 7.822 234 2HG LYS 27 HG1 LYS 27 -10.528 7.105 6.540 235 1HD LYS 27 HD2 LYS 27 -12.128 8.241 4.994 236 2HD LYS 27 HD1 LYS 27 -13.176 8.540 6.380 237 1HE LYS 27 HE2 LYS 27 -10.313 9.462 6.198 238 2HE LYS 27 HE1 LYS 27 -11.695 10.455 5.746 239 1HZ LYS 27 HZ1 LYS 27 -10.773 10.781 8.049 240 2HZ LYS 27 HZ2 LYS 27 -11.424 9.266 8.445 241 3HZ LYS 27 HZ3 LYS 27 -12.446 10.524 7.950 242 HA PRO 28 HA PRO 28 -13.474 0.843 6.433 243 1HB PRO 28 HB2 PRO 28 -15.997 1.649 7.726 244 2HB PRO 28 HB1 PRO 28 -14.962 0.257 8.058 245 1HG PRO 28 HG2 PRO 28 -15.129 2.329 9.760 246 2HG PRO 28 HG1 PRO 28 -13.615 1.437 9.515 247 1HD PRO 28 HD2 PRO 28 -14.454 4.093 8.408 248 2HD PRO 28 HD1 PRO 28 -12.872 3.582 9.039 249 H VAL 29 HN VAL 29 -14.050 0.630 4.406 250 HA VAL 29 HA VAL 29 -15.726 2.657 3.149 251 HB VAL 29 HB VAL 29 -15.000 1.616 1.020 252 1HG1 VAL 29 HG11 VAL 29 -13.728 3.473 1.936 253 2HG1 VAL 29 HG12 VAL 29 -12.665 2.333 1.112 254 3HG1 VAL 29 HG13 VAL 29 -12.744 2.348 2.875 255 1HG2 VAL 29 HG21 VAL 29 -14.692 -0.666 1.847 256 2HG2 VAL 29 HG22 VAL 29 -13.278 -0.135 2.759 257 3HG2 VAL 29 HG23 VAL 29 -13.267 -0.068 0.997 258 H GLU 30 HN GLU 30 -17.338 1.958 1.568 259 HA GLU 30 HA GLU 30 -19.012 -0.106 2.653 260 1HB GLU 30 HB2 GLU 30 -19.346 1.661 0.222 261 2HB GLU 30 HB1 GLU 30 -20.576 0.570 0.848 262 1HG GLU 30 HG2 GLU 30 -20.550 1.821 2.978 263 2HG GLU 30 HG1 GLU 30 -19.401 2.951 2.266 264 H ILE 31 HN ILE 31 -19.636 -1.999 1.628 265 HA ILE 31 HA ILE 31 -17.578 -3.262 0.123 266 HB ILE 31 HB ILE 31 -19.154 -5.206 0.044 267 1HG1 ILE 31 HG12 ILE 31 -20.903 -3.346 1.674 268 2HG1 ILE 31 HG11 ILE 31 -21.271 -3.973 0.071 269 1HG2 ILE 31 HG21 ILE 31 -19.010 -5.654 2.459 270 2HG2 ILE 31 HG22 ILE 31 -18.618 -3.959 2.737 271 3HG2 ILE 31 HG23 ILE 31 -17.515 -4.978 1.813 272 1HD1 ILE 31 HD11 ILE 31 -21.355 -6.236 0.983 273 2HD1 ILE 31 HD12 ILE 31 -22.502 -5.161 1.783 274 3HD1 ILE 31 HD13 ILE 31 -20.994 -5.596 2.587 275 H SER 32 HN SER 32 -18.493 -4.766 -1.777 276 HA SER 32 HA SER 32 -19.041 -4.868 -3.966 277 1HB SER 32 HB2 SER 32 -20.911 -2.598 -3.268 278 2HB SER 32 HB1 SER 32 -20.859 -3.378 -4.851 279 HG SER 32 HG SER 32 -21.296 -5.375 -3.752 280 H LYS 33 HN LYS 33 -17.972 -1.825 -2.668 281 HA LYS 33 HA LYS 33 -17.131 -0.797 -5.244 282 1HB LYS 33 HB2 LYS 33 -17.775 0.433 -2.922 283 2HB LYS 33 HB1 LYS 33 -16.027 0.368 -2.753 284 1HG LYS 33 HG2 LYS 33 -15.931 1.408 -5.082 285 2HG LYS 33 HG1 LYS 33 -17.648 1.755 -4.864 286 1HD LYS 33 HD2 LYS 33 -16.976 2.849 -2.667 287 2HD LYS 33 HD1 LYS 33 -15.317 2.754 -3.253 288 1HE LYS 33 HE2 LYS 33 -17.620 4.284 -4.443 289 2HE LYS 33 HE1 LYS 33 -16.125 4.927 -3.768 290 1HZ LYS 33 HZ1 LYS 33 -14.946 3.744 -5.625 291 2HZ LYS 33 HZ2 LYS 33 -15.937 5.031 -6.105 292 3HZ LYS 33 HZ3 LYS 33 -16.468 3.437 -6.311 293 H TRP 34 HN TRP 34 -16.074 -3.303 -3.592 294 HA TRP 34 HA TRP 34 -13.335 -2.881 -3.145 295 1HB TRP 34 HB2 TRP 34 -13.166 -5.398 -3.300 296 2HB TRP 34 HB1 TRP 34 -14.344 -4.796 -2.140 297 HD1 TRP 34 HD1 TRP 34 -16.910 -5.268 -2.640 298 HE1 TRP 34 HE1 TRP 34 -18.100 -6.913 -4.219 299 HE3 TRP 34 HE3 TRP 34 -12.953 -6.549 -5.616 300 HZ2 TRP 34 HZ2 TRP 34 -17.455 -8.535 -6.423 301 HZ3 TRP 34 HZ3 TRP 34 -13.328 -8.158 -7.441 302 HH2 TRP 34 HH2 TRP 34 -15.533 -9.131 -7.834 303 H ILE 35 HN ILE 35 -15.120 -3.776 -6.023 304 HA ILE 35 HA ILE 35 -12.853 -4.469 -7.592 305 HB ILE 35 HB ILE 35 -15.086 -5.258 -8.176 306 1HG1 ILE 35 HG12 ILE 35 -13.961 -3.436 -10.311 307 2HG1 ILE 35 HG11 ILE 35 -13.373 -5.054 -9.945 308 1HG2 ILE 35 HG21 ILE 35 -16.747 -3.739 -9.174 309 2HG2 ILE 35 HG22 ILE 35 -15.712 -2.373 -8.758 310 3HG2 ILE 35 HG23 ILE 35 -16.413 -3.367 -7.482 311 1HD1 ILE 35 HD11 ILE 35 -16.116 -4.360 -10.967 312 2HD1 ILE 35 HD12 ILE 35 -15.529 -5.985 -10.606 313 3HD1 ILE 35 HD13 ILE 35 -14.794 -5.049 -11.909 314 H ASP 36 HN ASP 36 -14.507 -1.520 -6.857 315 HA ASP 36 HA ASP 36 -13.481 0.094 -8.933 316 1HB ASP 36 HB2 ASP 36 -15.435 0.744 -7.635 317 2HB ASP 36 HB1 ASP 36 -14.469 0.812 -6.167 318 H PHE 37 HN PHE 37 -12.523 -0.135 -5.508 319 HA PHE 37 HA PHE 37 -10.294 1.560 -5.771 320 1HB PHE 37 HB2 PHE 37 -10.920 -0.531 -3.686 321 2HB PHE 37 HB1 PHE 37 -9.585 0.610 -3.569 322 HD1 PHE 37 HD1 PHE 37 -10.706 3.116 -4.435 323 HD2 PHE 37 HD2 PHE 37 -12.489 0.034 -2.100 324 HE1 PHE 37 HE1 PHE 37 -12.189 4.771 -3.380 325 HE2 PHE 37 HE2 PHE 37 -13.976 1.684 -1.051 326 HZ PHE 37 HZ PHE 37 -13.829 4.058 -1.692 327 H SER 38 HN SER 38 -10.625 -1.946 -6.090 328 HA SER 38 HA SER 38 -7.842 -2.468 -6.133 329 1HB SER 38 HB2 SER 38 -8.526 -4.644 -7.222 330 2HB SER 38 HB1 SER 38 -9.297 -4.306 -5.673 331 HG SER 38 HG SER 38 -11.176 -4.029 -6.638 332 H ASN 39 HN ASN 39 -10.198 -1.725 -8.665 333 HA ASN 39 HA ASN 39 -8.609 -2.045 -10.924 334 1HB ASN 39 HB2 ASN 39 -10.844 -0.172 -10.234 335 2HB ASN 39 HB1 ASN 39 -9.955 0.074 -11.731 336 1HD2 ASN 39 HD21 ASN 39 -12.733 -0.690 -11.205 337 2HD2 ASN 39 HD22 ASN 39 -12.986 -2.156 -12.085 338 H VAL 40 HN VAL 40 -8.952 0.793 -8.830 339 HA VAL 40 HA VAL 40 -7.122 2.429 -10.204 340 HB VAL 40 HB VAL 40 -7.835 2.534 -7.267 341 1HG1 VAL 40 HG11 VAL 40 -5.888 3.882 -7.783 342 2HG1 VAL 40 HG12 VAL 40 -7.276 4.924 -7.467 343 3HG1 VAL 40 HG13 VAL 40 -6.741 4.644 -9.124 344 1HG2 VAL 40 HG21 VAL 40 -9.829 2.563 -8.676 345 2HG2 VAL 40 HG22 VAL 40 -9.150 3.889 -9.619 346 3HG2 VAL 40 HG23 VAL 40 -9.562 4.135 -7.921 347 H LEU 41 HN LEU 41 -6.703 0.326 -7.375 348 HA LEU 41 HA LEU 41 -4.023 1.127 -6.893 349 1HB LEU 41 HB2 LEU 41 -5.590 -1.247 -5.913 350 2HB LEU 41 HB1 LEU 41 -3.981 -0.836 -5.352 351 HG LEU 41 HG LEU 41 -6.478 0.821 -5.005 352 1HD1 LEU 41 HD11 LEU 41 -6.085 0.388 -2.618 353 2HD1 LEU 41 HD12 LEU 41 -4.733 -0.664 -3.047 354 3HD1 LEU 41 HD13 LEU 41 -6.376 -1.094 -3.527 355 1HD2 LEU 41 HD21 LEU 41 -4.543 2.261 -5.379 356 2HD2 LEU 41 HD22 LEU 41 -3.648 1.397 -4.128 357 3HD2 LEU 41 HD23 LEU 41 -5.074 2.339 -3.699 358 H SER 42 HN SER 42 -5.397 -1.696 -8.574 359 HA SER 42 HA SER 42 -2.904 -3.024 -8.859 360 1HB SER 42 HB2 SER 42 -5.433 -3.302 -10.502 361 2HB SER 42 HB1 SER 42 -4.073 -4.426 -10.520 362 HG SER 42 HG SER 42 -6.125 -4.544 -8.955 363 H ARG 43 HN ARG 43 -4.330 -0.375 -10.510 364 HA ARG 43 HA ARG 43 -2.404 -0.606 -12.714 365 1HB ARG 43 HB2 ARG 43 -4.697 1.340 -12.369 366 2HB ARG 43 HB1 ARG 43 -3.694 1.168 -13.803 367 1HG ARG 43 HG2 ARG 43 -4.542 -1.083 -14.146 368 2HG ARG 43 HG1 ARG 43 -5.518 -0.946 -12.682 369 1HD ARG 43 HD2 ARG 43 -6.959 -0.519 -14.520 370 2HD ARG 43 HD1 ARG 43 -6.649 1.026 -13.733 371 HE ARG 43 HE ARG 43 -4.770 0.759 -15.764 372 1HH1 ARG 43 HH11 ARG 43 -8.232 1.102 -15.411 373 2HH1 ARG 43 HH12 ARG 43 -8.463 1.741 -17.008 374 1HH2 ARG 43 HH21 ARG 43 -5.044 1.644 -17.837 375 2HH2 ARG 43 HH22 ARG 43 -6.640 2.072 -18.392 376 H LEU 44 HN LEU 44 -2.187 0.335 -9.741 377 HA LEU 44 HA LEU 44 -0.763 2.847 -10.314 378 1HB LEU 44 HB2 LEU 44 -2.710 3.172 -8.863 379 2HB LEU 44 HB1 LEU 44 -2.100 1.957 -7.756 380 HG LEU 44 HG LEU 44 -0.145 3.407 -7.286 381 1HD1 LEU 44 HD11 LEU 44 -0.090 4.646 -9.385 382 2HD1 LEU 44 HD12 LEU 44 -0.179 5.741 -8.006 383 3HD1 LEU 44 HD13 LEU 44 -1.619 5.424 -8.974 384 1HD2 LEU 44 HD21 LEU 44 -1.349 5.047 -5.934 385 2HD2 LEU 44 HD22 LEU 44 -2.101 3.455 -5.828 386 3HD2 LEU 44 HD23 LEU 44 -2.827 4.709 -6.834 387 H TYR 45 HN TYR 45 1.363 2.636 -10.211 388 HA TYR 45 HA TYR 45 2.489 0.527 -8.505 389 1HB TYR 45 HB2 TYR 45 3.730 1.909 -10.897 390 2HB TYR 45 HB1 TYR 45 4.472 0.618 -9.956 391 HD1 TYR 45 HD2 TYR 45 3.622 -1.683 -10.121 392 HD2 TYR 45 HD1 TYR 45 2.001 1.446 -12.504 393 HE1 TYR 45 HE2 TYR 45 2.556 -3.351 -11.578 394 HE2 TYR 45 HE1 TYR 45 0.928 -0.213 -13.966 395 HH TYR 45 HH TYR 45 0.582 -3.438 -13.140 396 H VAL 46 HN VAL 46 3.713 1.091 -6.821 397 HA VAL 46 HA VAL 46 4.435 3.935 -6.566 398 HB VAL 46 HB VAL 46 2.849 3.157 -4.859 399 1HG1 VAL 46 HG11 VAL 46 5.007 1.207 -4.076 400 2HG1 VAL 46 HG12 VAL 46 3.435 0.813 -4.771 401 3HG1 VAL 46 HG13 VAL 46 3.534 1.526 -3.161 402 1HG2 VAL 46 HG21 VAL 46 5.603 3.752 -3.791 403 2HG2 VAL 46 HG22 VAL 46 4.112 3.855 -2.855 404 3HG2 VAL 46 HG23 VAL 46 4.361 4.923 -4.236 405 H GLY 47 HN GLY 47 6.535 4.499 -6.057 406 1HA GLY 47 HA2 GLY 47 8.454 2.263 -5.936 407 2HA GLY 47 HA1 GLY 47 8.725 3.655 -6.960 408 H VAL 48 HN VAL 48 8.144 2.787 -3.604 409 HA VAL 48 HA VAL 48 10.466 4.171 -2.724 410 HB VAL 48 HB VAL 48 9.076 6.148 -2.974 411 1HG1 VAL 48 HG11 VAL 48 6.872 5.157 -2.839 412 2HG1 VAL 48 HG12 VAL 48 7.023 6.465 -1.666 413 3HG1 VAL 48 HG13 VAL 48 7.116 4.787 -1.133 414 1HG2 VAL 48 HG21 VAL 48 10.639 6.109 -1.113 415 2HG2 VAL 48 HG22 VAL 48 9.404 5.400 -0.072 416 3HG2 VAL 48 HG23 VAL 48 9.196 7.034 -0.699 417 HA PRO 49 HA PRO 49 9.720 1.016 0.388 418 1HB PRO 49 HB2 PRO 49 12.265 1.979 1.486 419 2HB PRO 49 HB1 PRO 49 11.851 0.378 0.865 420 1HG PRO 49 HG2 PRO 49 13.515 2.023 -0.461 421 2HG PRO 49 HG1 PRO 49 12.402 0.930 -1.307 422 1HD PRO 49 HD2 PRO 49 12.125 3.869 -0.769 423 2HD PRO 49 HD1 PRO 49 11.781 2.964 -2.259 424 H THR 50 HN THR 50 8.269 1.555 1.880 425 HA THR 50 HA THR 50 8.789 3.891 3.595 426 HB THR 50 HB THR 50 6.153 3.733 3.733 427 HG1 THR 50 HG1 THR 50 5.385 3.204 1.568 428 1HG2 THR 50 HG21 THR 50 7.634 5.005 1.424 429 2HG2 THR 50 HG22 THR 50 7.421 5.707 3.028 430 3HG2 THR 50 HG23 THR 50 6.022 5.453 1.984 431 H LYS 51 HN LYS 51 7.451 3.835 5.648 432 HA LYS 51 HA LYS 51 7.558 1.135 6.796 433 1HB LYS 51 HB2 LYS 51 7.540 3.830 8.173 434 2HB LYS 51 HB1 LYS 51 7.619 2.274 8.992 435 1HG LYS 51 HG2 LYS 51 9.749 1.809 7.830 436 2HG LYS 51 HG1 LYS 51 9.680 3.421 7.117 437 1HD LYS 51 HD2 LYS 51 9.779 2.814 10.072 438 2HD LYS 51 HD1 LYS 51 11.146 3.340 9.090 439 1HE LYS 51 HE2 LYS 51 9.951 5.426 8.576 440 2HE LYS 51 HE1 LYS 51 8.615 4.903 9.600 441 1HZ LYS 51 HZ1 LYS 51 11.396 5.503 10.462 442 2HZ LYS 51 HZ2 LYS 51 10.222 4.812 11.468 443 3HZ LYS 51 HZ3 LYS 51 9.991 6.372 10.844 444 H SER 52 HN SER 52 5.883 1.046 8.785 445 HA SER 52 HA SER 52 3.403 0.680 7.528 446 1HB SER 52 HB2 SER 52 4.220 -0.573 9.535 447 2HB SER 52 HB1 SER 52 3.901 0.862 10.508 448 HG SER 52 HG SER 52 1.928 0.168 10.636 449 H GLY 53 HN GLY 53 1.607 1.901 7.342 450 1HA GLY 53 HA2 GLY 53 0.055 3.543 7.987 451 2HA GLY 53 HA1 GLY 53 1.264 4.227 9.066 452 H ASN 54 HN ASN 54 2.044 3.442 5.768 453 HA ASN 54 HA ASN 54 2.431 6.322 5.283 454 1HB ASN 54 HB2 ASN 54 3.947 5.737 3.517 455 2HB ASN 54 HB1 ASN 54 4.361 4.759 4.918 456 1HD2 ASN 54 HD21 ASN 54 4.095 2.554 4.837 457 2HD2 ASN 54 HD22 ASN 54 3.756 1.713 3.363 458 H VAL 55 HN VAL 55 1.328 7.435 3.761 459 HA VAL 55 HA VAL 55 -0.967 6.032 2.610 460 HB VAL 55 HB VAL 55 -0.439 8.997 2.463 461 1HG1 VAL 55 HG11 VAL 55 -2.880 9.118 2.284 462 2HG1 VAL 55 HG12 VAL 55 -2.964 7.357 2.364 463 3HG1 VAL 55 HG13 VAL 55 -2.169 8.142 0.999 464 1HG2 VAL 55 HG21 VAL 55 -1.795 9.270 4.484 465 2HG2 VAL 55 HG22 VAL 55 -0.311 8.374 4.814 466 3HG2 VAL 55 HG23 VAL 55 -1.848 7.518 4.685 467 H VAL 56 HN VAL 56 -0.969 5.419 0.524 468 HA VAL 56 HA VAL 56 1.011 6.592 -1.286 469 HB VAL 56 HB VAL 56 0.234 4.775 -2.879 470 1HG1 VAL 56 HG11 VAL 56 2.321 4.614 -1.654 471 2HG1 VAL 56 HG12 VAL 56 1.544 3.033 -1.748 472 3HG1 VAL 56 HG13 VAL 56 1.471 3.964 -0.251 473 1HG2 VAL 56 HG21 VAL 56 -1.911 4.271 -1.848 474 2HG2 VAL 56 HG22 VAL 56 -1.094 3.736 -0.377 475 3HG2 VAL 56 HG23 VAL 56 -0.885 2.836 -1.880 476 H CYS 57 HN CYS 57 -2.479 6.159 -0.957 477 HA CYS 57 HA CYS 57 -2.813 8.189 -3.056 478 1HB CYS 57 HB2 CYS 57 -3.443 5.883 -3.844 479 2HB CYS 57 HB1 CYS 57 -4.694 5.862 -2.606 480 HG CYS 57 HG CYS 57 -4.700 8.449 -4.788 481 H LYS 58 HN LYS 58 -3.790 9.933 -2.333 482 HA LYS 58 HA LYS 58 -5.252 9.774 0.219 483 1HB LYS 58 HB2 LYS 58 -4.005 12.190 -1.114 484 2HB LYS 58 HB1 LYS 58 -4.722 12.139 0.490 485 1HG LYS 58 HG2 LYS 58 -2.977 10.737 1.307 486 2HG LYS 58 HG1 LYS 58 -2.325 10.514 -0.318 487 1HD LYS 58 HD2 LYS 58 -1.848 12.939 -0.416 488 2HD LYS 58 HD1 LYS 58 -2.406 13.090 1.250 489 1HE LYS 58 HE2 LYS 58 -0.160 11.285 0.383 490 2HE LYS 58 HE1 LYS 58 0.074 12.926 0.980 491 1HZ LYS 58 HZ1 LYS 58 -1.342 10.847 2.544 492 2HZ LYS 58 HZ2 LYS 58 -0.738 12.331 3.093 493 3HZ LYS 58 HZ3 LYS 58 0.331 11.094 2.651 494 H ASN 59 HN ASN 59 -7.380 10.209 0.244 495 HA ASN 59 HA ASN 59 -9.495 10.695 -0.486 496 1HB ASN 59 HB2 ASN 59 -8.376 13.011 -0.537 497 2HB ASN 59 HB1 ASN 59 -8.212 12.779 -2.272 498 1HD2 ASN 59 HD21 ASN 59 -10.394 13.364 0.348 499 2HD2 ASN 59 HD22 ASN 59 -11.768 13.786 -0.620 500 H ILE 60 HN ILE 60 -8.472 8.536 -1.598 501 HA ILE 60 HA ILE 60 -8.140 8.467 -4.376 502 HB ILE 60 HB ILE 60 -7.380 6.634 -3.016 503 1HG1 ILE 60 HG12 ILE 60 -9.629 5.698 -4.811 504 2HG1 ILE 60 HG11 ILE 60 -8.014 6.140 -5.351 505 1HG2 ILE 60 HG21 ILE 60 -10.276 6.122 -2.359 506 2HG2 ILE 60 HG22 ILE 60 -9.034 6.707 -1.252 507 3HG2 ILE 60 HG23 ILE 60 -8.926 5.076 -1.914 508 1HD1 ILE 60 HD11 ILE 60 -8.694 3.858 -3.510 509 2HD1 ILE 60 HD12 ILE 60 -7.076 4.301 -4.053 510 3HD1 ILE 60 HD13 ILE 60 -8.270 3.731 -5.218 511 H MET 61 HN MET 61 -9.497 8.595 -6.011 512 HA MET 61 HA MET 61 -11.377 8.688 -7.273 513 1HB MET 61 HB2 MET 61 -12.468 6.855 -5.128 514 2HB MET 61 HB1 MET 61 -13.287 7.210 -6.644 515 1HG MET 61 HG2 MET 61 -10.581 5.914 -6.398 516 2HG MET 61 HG1 MET 61 -12.098 5.063 -6.679 517 1HE MET 61 HE1 MET 61 -13.121 6.121 -10.229 518 2HE MET 61 HE2 MET 61 -13.696 6.760 -8.689 519 3HE MET 61 HE3 MET 61 -13.407 5.030 -8.873 520 H ASN 62 HN ASN 62 -10.887 10.533 -4.974 521 HA ASN 62 HA ASN 62 -11.838 12.248 -3.858 522 1HB ASN 62 HB2 ASN 62 -12.584 12.882 -6.140 523 2HB ASN 62 HB1 ASN 62 -14.077 11.986 -5.879 524 1HD2 ASN 62 HD21 ASN 62 -12.415 13.920 -3.451 525 2HD2 ASN 62 HD22 ASN 62 -13.660 15.120 -3.297 526 H THR 63 HN THR 63 -12.087 10.908 -2.032 527 HA THR 63 HA THR 63 -14.884 10.362 -1.340 528 HB THR 63 HB THR 63 -14.153 8.227 -0.238 529 HG1 THR 63 HG1 THR 63 -11.930 8.022 -1.892 530 1HG2 THR 63 HG21 THR 63 -15.288 8.202 -2.414 531 2HG2 THR 63 HG22 THR 63 -14.104 6.900 -2.289 532 3HG2 THR 63 HG23 THR 63 -13.726 8.348 -3.223 533 H GLY 64 HN GLY 64 -11.568 10.229 -0.089 534 1HA GLY 64 HA2 GLY 64 -11.114 11.886 1.766 535 2HA GLY 64 HA1 GLY 64 -12.568 11.216 2.499 536 H VAL 65 HN VAL 65 -11.471 8.634 1.048 537 HA VAL 65 HA VAL 65 -10.207 7.577 3.407 538 HB VAL 65 HB VAL 65 -10.753 6.297 0.720 539 1HG1 VAL 65 HG11 VAL 65 -10.286 4.165 1.821 540 2HG1 VAL 65 HG12 VAL 65 -9.829 5.023 3.293 541 3HG1 VAL 65 HG13 VAL 65 -8.868 5.213 1.827 542 1HG2 VAL 65 HG21 VAL 65 -12.158 6.028 3.372 543 2HG2 VAL 65 HG22 VAL 65 -12.540 5.123 1.908 544 3HG2 VAL 65 HG23 VAL 65 -12.775 6.873 1.950 545 H ASP 66 HN ASP 66 -8.130 7.320 3.771 546 HA ASP 66 HA ASP 66 -6.213 7.969 1.646 547 1HB ASP 66 HB2 ASP 66 -5.807 7.807 4.648 548 2HB ASP 66 HB1 ASP 66 -4.580 8.268 3.474 549 H ILE 67 HN ILE 67 -5.397 6.256 0.631 550 HA ILE 67 HA ILE 67 -5.568 3.624 1.811 551 HB ILE 67 HB ILE 67 -4.313 4.469 -0.811 552 1HG1 ILE 67 HG12 ILE 67 -6.699 4.964 -0.777 553 2HG1 ILE 67 HG11 ILE 67 -6.400 3.570 -1.812 554 1HG2 ILE 67 HG21 ILE 67 -3.436 2.342 0.002 555 2HG2 ILE 67 HG22 ILE 67 -4.466 2.099 -1.408 556 3HG2 ILE 67 HG23 ILE 67 -5.079 1.733 0.204 557 1HD1 ILE 67 HD11 ILE 67 -8.389 3.252 -0.458 558 2HD1 ILE 67 HD12 ILE 67 -7.442 3.484 1.014 559 3HD1 ILE 67 HD13 ILE 67 -7.142 2.085 -0.018 560 H ILE 68 HN ILE 68 -4.115 2.872 3.164 561 HA ILE 68 HA ILE 68 -1.391 3.994 3.052 562 HB ILE 68 HB ILE 68 -1.288 3.618 5.514 563 1HG1 ILE 68 HG12 ILE 68 -4.264 3.165 5.203 564 2HG1 ILE 68 HG11 ILE 68 -3.081 1.965 5.717 565 1HG2 ILE 68 HG21 ILE 68 -3.442 5.498 4.558 566 2HG2 ILE 68 HG22 ILE 68 -1.709 5.831 4.587 567 3HG2 ILE 68 HG23 ILE 68 -2.590 5.604 6.098 568 1HD1 ILE 68 HD11 ILE 68 -2.633 3.237 7.726 569 2HD1 ILE 68 HD12 ILE 68 -4.357 2.883 7.589 570 3HD1 ILE 68 HD13 ILE 68 -3.750 4.494 7.196 571 H CYS 69 HN CYS 69 0.311 2.664 3.208 572 HA CYS 69 HA CYS 69 -0.206 -0.210 3.145 573 1HB CYS 69 HB2 CYS 69 2.544 0.952 2.992 574 2HB CYS 69 HB1 CYS 69 1.872 -0.449 2.167 575 HG CYS 69 HG CYS 69 2.069 2.712 1.168 576 H THR 70 HN THR 70 0.781 -1.650 4.661 577 HA THR 70 HA THR 70 1.414 -0.270 7.186 578 HB THR 70 HB THR 70 -0.839 -1.240 7.220 579 HG1 THR 70 HG1 THR 70 1.168 -2.027 8.933 580 1HG2 THR 70 HG21 THR 70 0.533 -3.881 6.702 581 2HG2 THR 70 HG22 THR 70 -0.547 -3.030 5.595 582 3HG2 THR 70 HG23 THR 70 -1.170 -3.677 7.114 583 H LYS 71 HN LYS 71 2.986 -1.870 4.932 584 HA LYS 71 HA LYS 71 4.476 -3.635 6.733 585 1HB LYS 71 HB2 LYS 71 4.601 -3.206 3.754 586 2HB LYS 71 HB1 LYS 71 5.814 -4.127 4.621 587 1HG LYS 71 HG2 LYS 71 2.891 -4.806 4.702 588 2HG LYS 71 HG1 LYS 71 4.005 -5.463 3.502 589 1HD LYS 71 HD2 LYS 71 5.418 -6.258 5.445 590 2HD LYS 71 HD1 LYS 71 4.060 -5.836 6.490 591 1HE LYS 71 HE2 LYS 71 2.619 -7.346 5.206 592 2HE LYS 71 HE1 LYS 71 3.987 -7.770 4.181 593 1HZ LYS 71 HZ1 LYS 71 3.807 -8.268 7.106 594 2HZ LYS 71 HZ2 LYS 71 5.105 -8.705 6.103 595 3HZ LYS 71 HZ3 LYS 71 3.592 -9.433 5.896 596 H ASN 72 HN ASN 72 6.765 -3.416 6.948 597 HA ASN 72 HA ASN 72 7.668 -0.640 6.562 598 1HB ASN 72 HB2 ASN 72 8.684 -2.755 8.479 599 2HB ASN 72 HB1 ASN 72 9.406 -1.165 8.280 600 1HD2 ASN 72 HD21 ASN 72 5.964 -1.963 8.358 601 2HD2 ASN 72 HD22 ASN 72 5.608 -1.086 9.804 602 H LEU 73 HN LEU 73 8.681 -0.499 4.664 603 HA LEU 73 HA LEU 73 10.213 -2.772 3.681 604 1HB LEU 73 HB2 LEU 73 9.342 -0.159 2.511 605 2HB LEU 73 HB1 LEU 73 10.644 -1.054 1.757 606 HG LEU 73 HG LEU 73 9.108 -2.994 1.492 607 1HD1 LEU 73 HD11 LEU 73 6.703 -2.646 1.751 608 2HD1 LEU 73 HD12 LEU 73 7.007 -1.054 2.445 609 3HD1 LEU 73 HD13 LEU 73 7.544 -2.503 3.293 610 1HD2 LEU 73 HD21 LEU 73 9.479 -1.457 -0.343 611 2HD2 LEU 73 HD22 LEU 73 8.208 -0.396 0.261 612 3HD2 LEU 73 HD23 LEU 73 7.803 -2.004 -0.336 613 HA PRO 74 HA PRO 74 14.052 -1.209 5.274 614 1HB PRO 74 HB2 PRO 74 15.702 -2.838 3.847 615 2HB PRO 74 HB1 PRO 74 14.814 -3.371 5.278 616 1HG PRO 74 HG2 PRO 74 14.181 -3.792 2.388 617 2HG PRO 74 HG1 PRO 74 14.015 -4.915 3.751 618 1HD PRO 74 HD2 PRO 74 11.917 -3.552 2.688 619 2HD PRO 74 HD1 PRO 74 11.995 -4.033 4.392 620 H LYS 75 HN LYS 75 14.395 0.811 4.536 621 HA LYS 75 HA LYS 75 14.698 1.477 1.790 622 1HB LYS 75 HB2 LYS 75 13.822 3.077 3.418 623 2HB LYS 75 HB1 LYS 75 15.348 3.048 4.284 624 1HG LYS 75 HG2 LYS 75 15.246 5.057 3.016 625 2HG LYS 75 HG1 LYS 75 16.448 4.005 2.272 626 1HD LYS 75 HD2 LYS 75 13.706 3.764 1.216 627 2HD LYS 75 HD1 LYS 75 14.510 5.303 0.906 628 1HE LYS 75 HE2 LYS 75 15.651 2.589 0.256 629 2HE LYS 75 HE1 LYS 75 14.836 3.640 -0.900 630 1HZ LYS 75 HZ1 LYS 75 16.555 5.325 -0.458 631 2HZ LYS 75 HZ2 LYS 75 17.198 3.895 -1.101 632 3HZ LYS 75 HZ3 LYS 75 17.362 4.230 0.556 633 H ASP 76 HN ASP 76 17.045 2.124 4.335 634 HA ASP 76 HA ASP 76 19.143 0.979 2.618 635 1HB ASP 76 HB2 ASP 76 19.207 3.680 3.971 636 2HB ASP 76 HB1 ASP 76 20.642 2.884 3.336 637 H SER 77 HN SER 77 17.628 0.754 5.442 638 HA SER 77 HA SER 77 18.004 -0.069 7.492 639 1HB SER 77 HB2 SER 77 19.704 -1.837 7.742 640 2HB SER 77 HB1 SER 77 18.723 -2.044 6.297 641 HG SER 77 HG SER 77 20.609 -0.795 5.288 642 H LEU 78 HN LEU 78 21.445 0.096 6.824 643 HA LEU 78 HA LEU 78 21.693 2.421 8.575 644 1HB LEU 78 HB2 LEU 78 23.091 -0.220 8.991 645 2HB LEU 78 HB1 LEU 78 23.653 1.280 9.703 646 HG LEU 78 HG LEU 78 20.944 0.050 10.229 647 1HD1 LEU 78 HD11 LEU 78 22.746 -1.332 11.126 648 2HD1 LEU 78 HD12 LEU 78 21.856 -0.528 12.419 649 3HD1 LEU 78 HD13 LEU 78 23.436 0.080 11.927 650 1HD2 LEU 78 HD21 LEU 78 22.391 2.356 11.530 651 2HD2 LEU 78 HD22 LEU 78 20.841 1.692 12.045 652 3HD2 LEU 78 HD23 LEU 78 20.984 2.479 10.473 653 H GLU 79 HN GLU 79 23.454 3.704 8.147 654 HA GLU 79 HA GLU 79 25.294 2.784 6.043 655 1HB GLU 79 HB2 GLU 79 23.683 4.575 5.290 656 2HB GLU 79 HB1 GLU 79 24.416 5.647 6.474 657 1HG GLU 79 HG2 GLU 79 26.519 5.566 5.341 658 2HG GLU 79 HG1 GLU 79 25.934 4.311 4.252 659 H HIS 80 HN HIS 80 27.494 3.504 6.295 660 HA HIS 80 HA HIS 80 28.346 3.010 8.900 661 1HB HIS 80 HB2 HIS 80 29.562 2.881 6.540 662 2HB HIS 80 HB1 HIS 80 30.198 4.440 7.058 663 HD1 HIS 80 HD1 HIS 80 31.411 1.294 6.870 664 HD2 HIS 80 HD2 HIS 80 30.942 3.829 10.135 665 HE1 HIS 80 HE1 HIS 80 33.038 0.473 8.609 666 HE2 HIS 80 HE2 HIS 80 32.806 2.075 10.543 667 H HIS 81 HN HIS 81 29.116 6.032 7.164 668 HA HIS 81 HA HIS 81 29.469 8.154 7.865 669 1HB HIS 81 HB2 HIS 81 27.533 7.378 10.056 670 2HB HIS 81 HB1 HIS 81 28.135 9.014 9.815 671 HD1 HIS 81 HD1 HIS 81 25.242 8.944 9.640 672 HD2 HIS 81 HD2 HIS 81 27.594 7.935 6.362 673 HE1 HIS 81 HE1 HIS 81 23.754 9.206 7.627 674 HE2 HIS 81 HE2 HIS 81 25.146 8.399 5.681 675 H HIS 82 HN HIS 82 29.141 6.617 11.047 676 HA HIS 82 HA HIS 82 31.933 6.415 11.533 677 1HB HIS 82 HB2 HIS 82 31.650 8.894 11.763 678 2HB HIS 82 HB1 HIS 82 30.495 8.607 13.058 679 HD1 HIS 82 HD1 HIS 82 31.454 8.557 15.361 680 HD2 HIS 82 HD2 HIS 82 34.329 7.835 12.438 681 HE1 HIS 82 HE1 HIS 82 33.653 8.436 16.581 682 HE2 HIS 82 HE2 HIS 82 35.362 7.873 14.814 683 H HIS 83 HN HIS 83 29.247 7.342 13.650 684 HA HIS 83 HA HIS 83 28.518 4.711 14.390 685 1HB HIS 83 HB2 HIS 83 30.778 5.003 15.563 686 2HB HIS 83 HB1 HIS 83 29.996 6.229 16.553 687 HD1 HIS 83 HD1 HIS 83 28.775 5.430 18.577 688 HD2 HIS 83 HD2 HIS 83 29.628 2.351 15.911 689 HE1 HIS 83 HE1 HIS 83 28.110 3.305 19.755 690 HE2 HIS 83 HE2 HIS 83 28.484 1.471 18.063 691 H HIS 84 HN HIS 84 26.586 4.759 15.566 692 HA HIS 84 HA HIS 84 25.103 7.157 15.360 693 1HB HIS 84 HB2 HIS 84 24.120 4.865 15.282 694 2HB HIS 84 HB1 HIS 84 24.413 4.719 17.012 695 HD1 HIS 84 HD1 HIS 84 22.700 5.744 18.573 696 HD2 HIS 84 HD2 HIS 84 22.121 6.811 14.591 697 HE1 HIS 84 HE1 HIS 84 20.479 6.924 18.500 698 HE2 HIS 84 HE2 HIS 84 20.096 7.463 16.062 699 H HIS 85 HN HIS 85 25.383 8.878 16.569 700 HA HIS 85 HA HIS 85 25.955 8.546 19.433 701 1HB HIS 85 HB2 HIS 85 27.716 9.747 18.195 702 2HB HIS 85 HB1 HIS 85 26.526 10.903 17.615 703 HD1 HIS 85 HD1 HIS 85 26.481 13.007 18.888 704 HD2 HIS 85 HD2 HIS 85 27.820 9.831 21.210 705 HE1 HIS 85 HE1 HIS 85 27.088 14.003 21.110 706 HE2 HIS 85 HE2 HIS 85 28.159 12.112 22.384 Start of MODEL 9 1 1H MET 1 HT1 MET 1 -26.076 -3.254 1.245 2 2H MET 1 HT2 MET 1 -25.692 -1.945 2.251 3 3H MET 1 HT3 MET 1 -25.696 -3.519 2.877 4 HA MET 1 HA MET 1 -23.855 -4.127 1.451 5 1HB MET 1 HB2 MET 1 -23.806 -1.179 0.758 6 2HB MET 1 HB1 MET 1 -22.649 -2.389 0.225 7 1HG MET 1 HG2 MET 1 -25.562 -2.256 -0.509 8 2HG MET 1 HG1 MET 1 -24.199 -1.850 -1.549 9 1HE MET 1 HE1 MET 1 -22.089 -4.064 -1.017 10 2HE MET 1 HE2 MET 1 -22.580 -3.622 -2.652 11 3HE MET 1 HE3 MET 1 -22.536 -5.318 -2.174 12 H HIS 2 HN HIS 2 -22.237 -4.454 2.820 13 HA HIS 2 HA HIS 2 -22.049 -2.878 5.223 14 1HB HIS 2 HB2 HIS 2 -20.387 -5.200 4.223 15 2HB HIS 2 HB1 HIS 2 -20.188 -4.451 5.801 16 HD1 HIS 2 HD1 HIS 2 -21.491 -5.494 7.648 17 HD2 HIS 2 HD2 HIS 2 -23.083 -6.378 3.907 18 HE1 HIS 2 HE1 HIS 2 -23.351 -7.136 8.067 19 HE2 HIS 2 HE2 HIS 2 -24.182 -7.782 5.779 20 H LYS 3 HN LYS 3 -20.024 -1.971 6.015 21 HA LYS 3 HA LYS 3 -18.176 -1.152 3.874 22 1HB LYS 3 HB2 LYS 3 -18.990 0.509 6.271 23 2HB LYS 3 HB1 LYS 3 -17.823 0.977 5.043 24 1HG LYS 3 HG2 LYS 3 -19.738 0.722 3.376 25 2HG LYS 3 HG1 LYS 3 -20.795 0.688 4.785 26 1HD LYS 3 HD2 LYS 3 -19.885 2.862 5.492 27 2HD LYS 3 HD1 LYS 3 -18.882 2.894 4.041 28 1HE LYS 3 HE2 LYS 3 -20.795 4.221 3.583 29 2HE LYS 3 HE1 LYS 3 -20.990 2.709 2.696 30 1HZ LYS 3 HZ1 LYS 3 -22.376 1.946 4.646 31 2HZ LYS 3 HZ2 LYS 3 -23.051 3.161 3.678 32 3HZ LYS 3 HZ3 LYS 3 -22.367 3.561 5.180 33 H ASP 4 HN ASP 4 -16.181 -1.860 4.195 34 HA ASP 4 HA ASP 4 -15.346 -2.487 6.941 35 1HB ASP 4 HB2 ASP 4 -16.269 -4.534 5.829 36 2HB ASP 4 HB1 ASP 4 -15.007 -4.388 4.612 37 H ILE 5 HN ILE 5 -13.060 -2.679 7.213 38 HA ILE 5 HA ILE 5 -11.522 -0.798 5.799 39 HB ILE 5 HB ILE 5 -10.611 -3.044 7.608 40 1HG1 ILE 5 HG12 ILE 5 -12.135 -1.453 8.700 41 2HG1 ILE 5 HG11 ILE 5 -10.504 -1.320 9.347 42 1HG2 ILE 5 HG21 ILE 5 -8.787 -2.268 6.196 43 2HG2 ILE 5 HG22 ILE 5 -8.540 -1.764 7.868 44 3HG2 ILE 5 HG23 ILE 5 -9.113 -0.601 6.674 45 1HD1 ILE 5 HD11 ILE 5 -11.510 0.865 9.051 46 2HD1 ILE 5 HD12 ILE 5 -11.767 0.532 7.338 47 3HD1 ILE 5 HD13 ILE 5 -10.127 0.666 7.974 48 H PHE 6 HN PHE 6 -10.934 -1.019 3.761 49 HA PHE 6 HA PHE 6 -10.759 -3.593 2.504 50 1HB PHE 6 HB2 PHE 6 -11.624 -1.613 1.315 51 2HB PHE 6 HB1 PHE 6 -10.039 -0.858 1.433 52 HD1 PHE 6 HD1 PHE 6 -11.766 -3.853 0.072 53 HD2 PHE 6 HD2 PHE 6 -8.470 -1.178 -0.250 54 HE1 PHE 6 HE1 PHE 6 -11.130 -4.898 -2.063 55 HE2 PHE 6 HE2 PHE 6 -7.829 -2.219 -2.384 56 HZ PHE 6 HZ PHE 6 -9.159 -4.081 -3.292 57 H THR 7 HN THR 7 -9.084 -4.837 3.038 58 HA THR 7 HA THR 7 -6.403 -3.634 2.893 59 HB THR 7 HB THR 7 -5.596 -5.624 4.130 60 HG1 THR 7 HG1 THR 7 -8.156 -6.483 3.655 61 1HG2 THR 7 HG21 THR 7 -7.838 -4.144 5.507 62 2HG2 THR 7 HG22 THR 7 -6.169 -3.597 5.362 63 3HG2 THR 7 HG23 THR 7 -6.545 -5.034 6.312 64 H SER 8 HN SER 8 -4.986 -4.373 1.373 65 HA SER 8 HA SER 8 -5.531 -6.800 -0.109 66 1HB SER 8 HB2 SER 8 -6.976 -5.009 -1.169 67 2HB SER 8 HB1 SER 8 -5.492 -4.157 -1.590 68 HG SER 8 HG SER 8 -6.693 -6.139 -2.903 69 H VAL 9 HN VAL 9 -3.872 -6.364 -2.268 70 HA VAL 9 HA VAL 9 -1.318 -5.567 -1.043 71 HB VAL 9 HB VAL 9 -1.406 -8.011 -1.155 72 1HG1 VAL 9 HG11 VAL 9 -2.979 -8.286 -2.988 73 2HG1 VAL 9 HG12 VAL 9 -1.494 -9.182 -3.306 74 3HG1 VAL 9 HG13 VAL 9 -1.790 -7.648 -4.123 75 1HG2 VAL 9 HG21 VAL 9 0.654 -8.394 -2.439 76 2HG2 VAL 9 HG22 VAL 9 0.747 -6.938 -1.445 77 3HG2 VAL 9 HG23 VAL 9 0.472 -6.806 -3.182 78 H VAL 10 HN VAL 10 -0.109 -4.191 -2.221 79 HA VAL 10 HA VAL 10 -1.018 -3.648 -4.973 80 HB VAL 10 HB VAL 10 -1.363 -1.778 -3.342 81 1HG1 VAL 10 HG11 VAL 10 1.649 -1.738 -3.274 82 2HG1 VAL 10 HG12 VAL 10 0.565 -2.079 -1.926 83 3HG1 VAL 10 HG13 VAL 10 0.601 -0.468 -2.643 84 1HG2 VAL 10 HG21 VAL 10 -1.191 -1.331 -5.722 85 2HG2 VAL 10 HG22 VAL 10 0.565 -1.227 -5.593 86 3HG2 VAL 10 HG23 VAL 10 -0.450 -0.029 -4.791 87 H ARG 11 HN ARG 11 0.555 -3.279 -6.566 88 HA ARG 11 HA ARG 11 3.092 -4.571 -6.014 89 1HB ARG 11 HB2 ARG 11 1.957 -3.546 -8.626 90 2HB ARG 11 HB1 ARG 11 3.434 -4.488 -8.448 91 1HG ARG 11 HG2 ARG 11 2.003 -6.278 -7.372 92 2HG ARG 11 HG1 ARG 11 0.607 -5.365 -7.947 93 1HD ARG 11 HD2 ARG 11 2.822 -6.435 -9.684 94 2HD ARG 11 HD1 ARG 11 1.259 -7.207 -9.453 95 HE ARG 11 HE ARG 11 1.827 -4.811 -11.009 96 1HH1 ARG 11 HH11 ARG 11 -0.583 -6.977 -9.669 97 2HH1 ARG 11 HH12 ARG 11 -1.793 -6.558 -10.837 98 1HH2 ARG 11 HH21 ARG 11 0.237 -4.273 -12.551 99 2HH2 ARG 11 HH22 ARG 11 -1.335 -5.025 -12.475 100 H VAL 12 HN VAL 12 4.784 -3.474 -5.418 101 HA VAL 12 HA VAL 12 4.522 -0.600 -5.223 102 HB VAL 12 HB VAL 12 6.811 -2.276 -4.203 103 1HG1 VAL 12 HG11 VAL 12 6.946 -0.535 -2.488 104 2HG1 VAL 12 HG12 VAL 12 5.612 0.318 -3.263 105 3HG1 VAL 12 HG13 VAL 12 7.146 0.125 -4.112 106 1HG2 VAL 12 HG21 VAL 12 4.738 -3.307 -3.452 107 2HG2 VAL 12 HG22 VAL 12 4.179 -1.753 -2.835 108 3HG2 VAL 12 HG23 VAL 12 5.582 -2.537 -2.109 109 H ARG 13 HN ARG 13 5.785 0.899 -6.166 110 HA ARG 13 HA ARG 13 7.643 -0.023 -8.257 111 1HB ARG 13 HB2 ARG 13 5.592 1.458 -8.765 112 2HB ARG 13 HB1 ARG 13 6.482 2.747 -7.974 113 1HG ARG 13 HG2 ARG 13 6.865 3.031 -10.262 114 2HG ARG 13 HG1 ARG 13 8.339 2.288 -9.636 115 1HD ARG 13 HD2 ARG 13 7.612 0.116 -10.429 116 2HD ARG 13 HD1 ARG 13 6.083 0.798 -10.965 117 HE ARG 13 HE ARG 13 7.307 2.055 -12.642 118 1HH1 ARG 13 HH11 ARG 13 9.074 -0.517 -11.050 119 2HH1 ARG 13 HH12 ARG 13 10.147 -0.797 -12.389 120 1HH2 ARG 13 HH21 ARG 13 8.723 1.725 -14.405 121 2HH2 ARG 13 HH22 ARG 13 9.923 0.465 -14.313 122 H GLY 14 HN GLY 14 9.790 0.579 -8.154 123 1HA GLY 14 HA2 GLY 14 11.291 2.502 -7.595 124 2HA GLY 14 HA1 GLY 14 10.518 2.493 -6.015 125 H SER 15 HN SER 15 13.021 2.370 -5.661 126 HA SER 15 HA SER 15 14.142 -0.266 -5.992 127 1HB SER 15 HB2 SER 15 15.507 1.831 -6.180 128 2HB SER 15 HB1 SER 15 15.285 2.076 -4.448 129 HG SER 15 HG SER 15 16.386 -0.290 -5.559 130 H LYS 16 HN LYS 16 13.517 -1.848 -4.715 131 HA LYS 16 HA LYS 16 13.786 -1.684 -1.884 132 1HB LYS 16 HB2 LYS 16 11.314 -2.473 -1.559 133 2HB LYS 16 HB1 LYS 16 11.681 -0.759 -1.664 134 1HG LYS 16 HG2 LYS 16 9.711 -1.232 -2.946 135 2HG LYS 16 HG1 LYS 16 11.021 -0.791 -4.042 136 1HD LYS 16 HD2 LYS 16 11.335 -3.046 -4.704 137 2HD LYS 16 HD1 LYS 16 10.290 -3.646 -3.416 138 1HE LYS 16 HE2 LYS 16 9.001 -3.765 -5.372 139 2HE LYS 16 HE1 LYS 16 8.430 -2.329 -4.525 140 1HZ LYS 16 HZ1 LYS 16 8.663 -1.739 -6.772 141 2HZ LYS 16 HZ2 LYS 16 10.188 -2.464 -6.903 142 3HZ LYS 16 HZ3 LYS 16 10.002 -1.049 -5.991 143 H LYS 17 HN LYS 17 13.066 -3.851 -0.861 144 HA LYS 17 HA LYS 17 14.018 -5.925 -2.688 145 1HB LYS 17 HB2 LYS 17 15.101 -5.514 -0.429 146 2HB LYS 17 HB1 LYS 17 13.643 -6.174 0.297 147 1HG LYS 17 HG2 LYS 17 14.021 -8.308 -0.708 148 2HG LYS 17 HG1 LYS 17 15.351 -7.674 -1.676 149 1HD LYS 17 HD2 LYS 17 16.591 -7.198 0.415 150 2HD LYS 17 HD1 LYS 17 15.279 -7.947 1.328 151 1HE LYS 17 HE2 LYS 17 15.666 -10.060 0.181 152 2HE LYS 17 HE1 LYS 17 16.936 -9.316 -0.789 153 1HZ LYS 17 HZ1 LYS 17 17.791 -10.618 1.102 154 2HZ LYS 17 HZ2 LYS 17 17.009 -9.560 2.173 155 3HZ LYS 17 HZ3 LYS 17 18.253 -8.988 1.178 156 H TYR 18 HN TYR 18 11.147 -4.906 -1.109 157 HA TYR 18 HA TYR 18 9.832 -7.463 -1.736 158 1HB TYR 18 HB2 TYR 18 8.893 -5.211 0.057 159 2HB TYR 18 HB1 TYR 18 8.008 -6.700 -0.254 160 HD1 TYR 18 HD2 TYR 18 9.245 -8.911 0.370 161 HD2 TYR 18 HD1 TYR 18 10.314 -5.081 1.877 162 HE1 TYR 18 HE2 TYR 18 10.383 -9.982 2.271 163 HE2 TYR 18 HE1 TYR 18 11.454 -6.138 3.779 164 HH TYR 18 HH TYR 18 12.196 -9.428 3.896 165 H ASN 19 HN ASN 19 8.868 -7.454 -3.656 166 HA ASN 19 HA ASN 19 8.399 -4.991 -5.043 167 1HB ASN 19 HB2 ASN 19 8.035 -7.881 -5.784 168 2HB ASN 19 HB1 ASN 19 7.484 -6.584 -6.841 169 1HD2 ASN 19 HD21 ASN 19 9.565 -8.589 -7.258 170 2HD2 ASN 19 HD22 ASN 19 11.010 -7.704 -7.589 171 H VAL 20 HN VAL 20 6.469 -7.037 -3.097 172 HA VAL 20 HA VAL 20 4.123 -5.428 -3.824 173 HB VAL 20 HB VAL 20 2.673 -7.418 -3.330 174 1HG1 VAL 20 HG11 VAL 20 3.085 -6.706 -5.619 175 2HG1 VAL 20 HG12 VAL 20 2.987 -8.464 -5.527 176 3HG1 VAL 20 HG13 VAL 20 4.559 -7.676 -5.670 177 1HG2 VAL 20 HG21 VAL 20 3.691 -9.655 -3.533 178 2HG2 VAL 20 HG22 VAL 20 4.243 -8.787 -2.101 179 3HG2 VAL 20 HG23 VAL 20 5.290 -8.910 -3.517 180 H VAL 21 HN VAL 21 2.914 -4.690 -2.126 181 HA VAL 21 HA VAL 21 3.629 -5.658 0.553 182 HB VAL 21 HB VAL 21 4.879 -3.535 -0.092 183 1HG1 VAL 21 HG11 VAL 21 3.681 -1.420 0.094 184 2HG1 VAL 21 HG12 VAL 21 2.156 -2.292 0.258 185 3HG1 VAL 21 HG13 VAL 21 3.070 -2.388 -1.248 186 1HG2 VAL 21 HG21 VAL 21 4.663 -4.280 2.207 187 2HG2 VAL 21 HG22 VAL 21 3.111 -3.453 2.343 188 3HG2 VAL 21 HG23 VAL 21 4.590 -2.523 2.105 189 HA PRO 22 HA PRO 22 -0.803 -5.556 1.077 190 1HB PRO 22 HB2 PRO 22 -0.890 -5.861 3.772 191 2HB PRO 22 HB1 PRO 22 -0.539 -7.190 2.662 192 1HG PRO 22 HG2 PRO 22 1.335 -5.551 4.310 193 2HG PRO 22 HG1 PRO 22 1.367 -7.290 3.968 194 1HD PRO 22 HD2 PRO 22 2.952 -5.468 2.693 195 2HD PRO 22 HD1 PRO 22 2.435 -6.999 1.960 196 H VAL 23 HN VAL 23 -2.156 -3.915 1.184 197 HA VAL 23 HA VAL 23 -1.449 -1.580 2.839 198 HB VAL 23 HB VAL 23 -2.668 -0.182 1.183 199 1HG1 VAL 23 HG11 VAL 23 -0.362 -1.769 0.060 200 2HG1 VAL 23 HG12 VAL 23 -0.245 -0.346 1.096 201 3HG1 VAL 23 HG13 VAL 23 -0.917 -0.201 -0.529 202 1HG2 VAL 23 HG21 VAL 23 -2.704 -2.720 -0.452 203 2HG2 VAL 23 HG22 VAL 23 -3.132 -1.117 -1.050 204 3HG2 VAL 23 HG23 VAL 23 -4.106 -1.878 0.207 205 H LYS 24 HN LYS 24 -3.320 -0.274 3.499 206 HA LYS 24 HA LYS 24 -5.863 -1.700 3.630 207 1HB LYS 24 HB2 LYS 24 -6.023 -1.302 6.076 208 2HB LYS 24 HB1 LYS 24 -4.726 -2.415 5.655 209 1HG LYS 24 HG2 LYS 24 -3.093 -0.628 5.910 210 2HG LYS 24 HG1 LYS 24 -4.384 0.508 6.298 211 1HD LYS 24 HD2 LYS 24 -3.705 -1.965 7.889 212 2HD LYS 24 HD1 LYS 24 -3.207 -0.322 8.300 213 1HE LYS 24 HE2 LYS 24 -5.607 0.316 8.402 214 2HE LYS 24 HE1 LYS 24 -6.030 -1.376 8.143 215 1HZ LYS 24 HZ1 LYS 24 -6.089 -0.816 10.482 216 2HZ LYS 24 HZ2 LYS 24 -4.471 -0.303 10.435 217 3HZ LYS 24 HZ3 LYS 24 -4.852 -1.937 10.187 218 H SER 25 HN SER 25 -7.550 -0.235 4.677 219 HA SER 25 HA SER 25 -7.048 2.550 3.880 220 1HB SER 25 HB2 SER 25 -9.524 2.717 3.721 221 2HB SER 25 HB1 SER 25 -8.857 1.496 2.638 222 HG SER 25 HG SER 25 -10.477 1.213 4.871 223 H ASN 26 HN ASN 26 -6.974 4.078 5.440 224 HA ASN 26 HA ASN 26 -7.401 3.308 8.175 225 1HB ASN 26 HB2 ASN 26 -6.939 5.766 8.656 226 2HB ASN 26 HB1 ASN 26 -5.646 4.850 7.895 227 1HD2 ASN 26 HD21 ASN 26 -8.013 7.367 7.488 228 2HD2 ASN 26 HD22 ASN 26 -7.360 8.001 6.006 229 H LYS 27 HN LYS 27 -9.524 4.101 5.818 230 HA LYS 27 HA LYS 27 -11.554 4.651 7.864 231 1HB LYS 27 HB2 LYS 27 -11.563 5.851 5.081 232 2HB LYS 27 HB1 LYS 27 -12.815 6.054 6.297 233 1HG LYS 27 HG2 LYS 27 -10.965 7.081 7.744 234 2HG LYS 27 HG1 LYS 27 -10.044 7.186 6.243 235 1HD LYS 27 HD2 LYS 27 -12.718 8.455 6.828 236 2HD LYS 27 HD1 LYS 27 -11.172 9.281 6.632 237 1HE LYS 27 HE2 LYS 27 -11.083 8.448 4.297 238 2HE LYS 27 HE1 LYS 27 -12.692 7.761 4.515 239 1HZ LYS 27 HZ1 LYS 27 -13.465 10.049 5.062 240 2HZ LYS 27 HZ2 LYS 27 -12.930 9.864 3.465 241 3HZ LYS 27 HZ3 LYS 27 -11.934 10.630 4.607 242 HA PRO 28 HA PRO 28 -13.359 0.941 6.284 243 1HB PRO 28 HB2 PRO 28 -16.024 1.522 6.715 244 2HB PRO 28 HB1 PRO 28 -14.915 0.920 7.950 245 1HG PRO 28 HG2 PRO 28 -15.811 3.720 7.408 246 2HG PRO 28 HG1 PRO 28 -15.556 2.904 8.962 247 1HD PRO 28 HD2 PRO 28 -13.765 4.641 7.962 248 2HD PRO 28 HD1 PRO 28 -13.261 3.210 8.883 249 H VAL 29 HN VAL 29 -13.992 0.214 4.365 250 HA VAL 29 HA VAL 29 -14.776 2.216 2.367 251 HB VAL 29 HB VAL 29 -13.538 -0.501 1.909 252 1HG1 VAL 29 HG11 VAL 29 -13.900 1.861 0.068 253 2HG1 VAL 29 HG12 VAL 29 -14.791 0.340 0.004 254 3HG1 VAL 29 HG13 VAL 29 -13.061 0.362 -0.332 255 1HG2 VAL 29 HG21 VAL 29 -11.447 0.717 1.486 256 2HG2 VAL 29 HG22 VAL 29 -11.999 0.887 3.155 257 3HG2 VAL 29 HG23 VAL 29 -12.227 2.211 2.006 258 H GLU 30 HN GLU 30 -16.694 2.079 1.420 259 HA GLU 30 HA GLU 30 -18.649 0.174 2.048 260 1HB GLU 30 HB2 GLU 30 -18.927 2.498 1.007 261 2HB GLU 30 HB1 GLU 30 -18.524 1.742 -0.528 262 1HG GLU 30 HG2 GLU 30 -20.442 0.194 -0.188 263 2HG GLU 30 HG1 GLU 30 -20.877 1.142 1.232 264 H ILE 31 HN ILE 31 -18.878 -1.888 1.410 265 HA ILE 31 HA ILE 31 -16.800 -3.155 0.025 266 HB ILE 31 HB ILE 31 -18.244 -4.239 1.725 267 1HG1 ILE 31 HG12 ILE 31 -18.375 -6.449 0.595 268 2HG1 ILE 31 HG11 ILE 31 -18.066 -5.652 -0.945 269 1HG2 ILE 31 HG21 ILE 31 -20.260 -4.300 -0.509 270 2HG2 ILE 31 HG22 ILE 31 -20.403 -3.449 1.030 271 3HG2 ILE 31 HG23 ILE 31 -20.391 -5.213 0.994 272 1HD1 ILE 31 HD11 ILE 31 -15.883 -4.923 -0.123 273 2HD1 ILE 31 HD12 ILE 31 -16.051 -6.677 -0.074 274 3HD1 ILE 31 HD13 ILE 31 -16.194 -5.736 1.411 275 H SER 32 HN SER 32 -19.685 -1.682 -1.204 276 HA SER 32 HA SER 32 -19.838 -3.135 -3.644 277 1HB SER 32 HB2 SER 32 -20.971 -0.661 -4.143 278 2HB SER 32 HB1 SER 32 -21.813 -2.066 -3.481 279 HG SER 32 HG SER 32 -21.201 0.288 -2.283 280 H LYS 33 HN LYS 33 -17.592 -0.906 -2.506 281 HA LYS 33 HA LYS 33 -16.904 0.012 -5.213 282 1HB LYS 33 HB2 LYS 33 -16.139 1.070 -2.491 283 2HB LYS 33 HB1 LYS 33 -15.477 1.686 -3.997 284 1HG LYS 33 HG2 LYS 33 -17.734 2.337 -4.707 285 2HG LYS 33 HG1 LYS 33 -18.374 1.751 -3.169 286 1HD LYS 33 HD2 LYS 33 -17.140 3.390 -1.946 287 2HD LYS 33 HD1 LYS 33 -16.241 3.869 -3.387 288 1HE LYS 33 HE2 LYS 33 -17.912 5.521 -2.972 289 2HE LYS 33 HE1 LYS 33 -18.391 4.609 -4.398 290 1HZ LYS 33 HZ1 LYS 33 -19.743 3.227 -2.686 291 2HZ LYS 33 HZ2 LYS 33 -20.331 4.720 -3.220 292 3HZ LYS 33 HZ3 LYS 33 -19.583 4.607 -1.708 293 H TRP 34 HN TRP 34 -16.119 -2.497 -3.305 294 HA TRP 34 HA TRP 34 -13.356 -2.312 -2.884 295 1HB TRP 34 HB2 TRP 34 -13.413 -4.560 -2.252 296 2HB TRP 34 HB1 TRP 34 -15.059 -4.026 -1.946 297 HD1 TRP 34 HD1 TRP 34 -16.859 -4.688 -4.047 298 HE1 TRP 34 HE1 TRP 34 -16.969 -6.884 -5.393 299 HE3 TRP 34 HE3 TRP 34 -12.154 -6.439 -3.094 300 HZ2 TRP 34 HZ2 TRP 34 -15.274 -9.073 -5.955 301 HZ3 TRP 34 HZ3 TRP 34 -11.478 -8.596 -4.068 302 HH2 TRP 34 HH2 TRP 34 -13.005 -9.884 -5.468 303 H ILE 35 HN ILE 35 -15.171 -3.201 -5.718 304 HA ILE 35 HA ILE 35 -12.973 -4.472 -7.055 305 HB ILE 35 HB ILE 35 -15.312 -5.114 -7.488 306 1HG1 ILE 35 HG12 ILE 35 -13.895 -4.020 -9.927 307 2HG1 ILE 35 HG11 ILE 35 -13.546 -5.563 -9.157 308 1HG2 ILE 35 HG21 ILE 35 -15.540 -2.417 -8.806 309 2HG2 ILE 35 HG22 ILE 35 -16.374 -2.942 -7.345 310 3HG2 ILE 35 HG23 ILE 35 -16.744 -3.702 -8.893 311 1HD1 ILE 35 HD11 ILE 35 -16.161 -4.810 -10.437 312 2HD1 ILE 35 HD12 ILE 35 -15.759 -6.371 -9.719 313 3HD1 ILE 35 HD13 ILE 35 -14.910 -5.818 -11.163 314 H ASP 36 HN ASP 36 -14.321 -1.275 -6.891 315 HA ASP 36 HA ASP 36 -12.932 -0.309 -9.220 316 1HB ASP 36 HB2 ASP 36 -15.129 0.609 -8.166 317 2HB ASP 36 HB1 ASP 36 -14.056 1.468 -7.065 318 H PHE 37 HN PHE 37 -12.551 -0.060 -5.705 319 HA PHE 37 HA PHE 37 -10.260 1.520 -5.606 320 1HB PHE 37 HB2 PHE 37 -11.382 -0.594 -3.807 321 2HB PHE 37 HB1 PHE 37 -9.780 0.052 -3.476 322 HD1 PHE 37 HD2 PHE 37 -13.356 0.874 -3.702 323 HD2 PHE 37 HD1 PHE 37 -9.483 2.237 -2.593 324 HE1 PHE 37 HE2 PHE 37 -14.370 2.782 -2.525 325 HE2 PHE 37 HE1 PHE 37 -10.489 4.145 -1.411 326 HZ PHE 37 HZ PHE 37 -12.935 4.420 -1.377 327 H SER 38 HN SER 38 -10.518 -2.013 -5.890 328 HA SER 38 HA SER 38 -7.737 -2.494 -5.828 329 1HB SER 38 HB2 SER 38 -8.463 -4.723 -6.916 330 2HB SER 38 HB1 SER 38 -9.077 -4.345 -5.305 331 HG SER 38 HG SER 38 -11.043 -4.057 -6.093 332 H ASN 39 HN ASN 39 -10.005 -1.916 -8.473 333 HA ASN 39 HA ASN 39 -8.262 -2.425 -10.614 334 1HB ASN 39 HB2 ASN 39 -10.797 -0.960 -10.252 335 2HB ASN 39 HB1 ASN 39 -9.805 -0.402 -11.596 336 1HD2 ASN 39 HD21 ASN 39 -11.645 -3.044 -10.287 337 2HD2 ASN 39 HD22 ASN 39 -11.706 -3.975 -11.747 338 H VAL 40 HN VAL 40 -8.852 0.533 -8.755 339 HA VAL 40 HA VAL 40 -7.125 2.209 -10.222 340 HB VAL 40 HB VAL 40 -7.851 2.407 -7.289 341 1HG1 VAL 40 HG11 VAL 40 -6.784 4.490 -9.195 342 2HG1 VAL 40 HG12 VAL 40 -5.915 3.774 -7.837 343 3HG1 VAL 40 HG13 VAL 40 -7.324 4.792 -7.542 344 1HG2 VAL 40 HG21 VAL 40 -9.833 2.364 -8.690 345 2HG2 VAL 40 HG22 VAL 40 -9.156 3.626 -9.718 346 3HG2 VAL 40 HG23 VAL 40 -9.577 3.985 -8.045 347 H LEU 41 HN LEU 41 -6.574 0.184 -7.364 348 HA LEU 41 HA LEU 41 -3.878 0.954 -6.963 349 1HB LEU 41 HB2 LEU 41 -5.323 -1.573 -6.155 350 2HB LEU 41 HB1 LEU 41 -3.729 -1.113 -5.587 351 HG LEU 41 HG LEU 41 -6.268 0.447 -5.083 352 1HD1 LEU 41 HD11 LEU 41 -6.007 -0.319 -2.766 353 2HD1 LEU 41 HD12 LEU 41 -4.655 -1.336 -3.264 354 3HD1 LEU 41 HD13 LEU 41 -6.275 -1.661 -3.880 355 1HD2 LEU 41 HD21 LEU 41 -4.883 1.717 -3.503 356 2HD2 LEU 41 HD22 LEU 41 -4.306 1.881 -5.162 357 3HD2 LEU 41 HD23 LEU 41 -3.463 0.816 -4.036 358 H SER 42 HN SER 42 -5.361 -1.212 -9.198 359 HA SER 42 HA SER 42 -2.950 -2.684 -9.769 360 1HB SER 42 HB2 SER 42 -5.550 -2.543 -11.311 361 2HB SER 42 HB1 SER 42 -4.264 -3.724 -11.555 362 HG SER 42 HG SER 42 -5.787 -3.379 -9.175 363 H ARG 43 HN ARG 43 -4.155 0.342 -10.567 364 HA ARG 43 HA ARG 43 -2.552 0.511 -13.027 365 1HB ARG 43 HB2 ARG 43 -4.793 2.204 -11.938 366 2HB ARG 43 HB1 ARG 43 -3.757 2.759 -13.245 367 1HG ARG 43 HG2 ARG 43 -5.403 0.240 -13.332 368 2HG ARG 43 HG1 ARG 43 -5.900 1.794 -14.006 369 1HD ARG 43 HD2 ARG 43 -3.602 0.047 -14.858 370 2HD ARG 43 HD1 ARG 43 -5.009 0.527 -15.801 371 HE ARG 43 HE ARG 43 -2.577 1.992 -15.464 372 1HH1 ARG 43 HH11 ARG 43 -6.036 2.390 -15.985 373 2HH1 ARG 43 HH12 ARG 43 -5.858 3.948 -16.738 374 1HH2 ARG 43 HH21 ARG 43 -2.365 4.035 -16.472 375 2HH2 ARG 43 HH22 ARG 43 -3.788 4.863 -17.027 376 H LEU 44 HN LEU 44 -2.804 1.583 -9.758 377 HA LEU 44 HA LEU 44 -1.063 3.857 -10.089 378 1HB LEU 44 HB2 LEU 44 -2.915 3.800 -8.432 379 2HB LEU 44 HB1 LEU 44 -2.062 2.539 -7.563 380 HG LEU 44 HG LEU 44 -0.189 4.129 -7.176 381 1HD1 LEU 44 HD11 LEU 44 -0.555 5.603 -9.068 382 2HD1 LEU 44 HD12 LEU 44 -0.586 6.514 -7.558 383 3HD1 LEU 44 HD13 LEU 44 -2.094 6.125 -8.386 384 1HD2 LEU 44 HD21 LEU 44 -1.379 5.481 -5.495 385 2HD2 LEU 44 HD22 LEU 44 -1.854 3.784 -5.460 386 3HD2 LEU 44 HD23 LEU 44 -2.915 4.981 -6.205 387 H TYR 45 HN TYR 45 0.911 3.131 -10.797 388 HA TYR 45 HA TYR 45 2.286 1.128 -9.169 389 1HB TYR 45 HB2 TYR 45 3.084 2.360 -11.819 390 2HB TYR 45 HB1 TYR 45 3.991 1.115 -10.963 391 HD1 TYR 45 HD2 TYR 45 2.610 -1.040 -10.365 392 HD2 TYR 45 HD1 TYR 45 1.569 1.706 -13.439 393 HE1 TYR 45 HE2 TYR 45 1.231 -2.773 -11.437 394 HE2 TYR 45 HE1 TYR 45 0.187 -0.014 -14.519 395 HH TYR 45 HH TYR 45 -0.937 -2.617 -13.064 396 H VAL 46 HN VAL 46 2.752 2.290 -7.358 397 HA VAL 46 HA VAL 46 4.949 4.198 -7.621 398 HB VAL 46 HB VAL 46 3.978 5.656 -5.853 399 1HG1 VAL 46 HG11 VAL 46 2.381 6.838 -7.292 400 2HG1 VAL 46 HG12 VAL 46 2.341 5.444 -8.372 401 3HG1 VAL 46 HG13 VAL 46 3.837 6.355 -8.163 402 1HG2 VAL 46 HG21 VAL 46 1.575 5.549 -5.389 403 2HG2 VAL 46 HG22 VAL 46 2.412 4.089 -4.867 404 3HG2 VAL 46 HG23 VAL 46 1.460 4.075 -6.350 405 H GLY 47 HN GLY 47 5.844 4.653 -5.329 406 1HA GLY 47 HA2 GLY 47 5.342 3.284 -3.056 407 2HA GLY 47 HA1 GLY 47 6.199 2.093 -4.024 408 H VAL 48 HN VAL 48 7.327 2.682 -1.750 409 HA VAL 48 HA VAL 48 9.897 3.542 -2.330 410 HB VAL 48 HB VAL 48 8.868 5.795 -2.558 411 1HG1 VAL 48 HG11 VAL 48 8.138 5.463 0.348 412 2HG1 VAL 48 HG12 VAL 48 7.019 5.573 -1.010 413 3HG1 VAL 48 HG13 VAL 48 8.016 6.961 -0.575 414 1HG2 VAL 48 HG21 VAL 48 10.687 5.516 -0.169 415 2HG2 VAL 48 HG22 VAL 48 10.400 7.004 -1.072 416 3HG2 VAL 48 HG23 VAL 48 11.187 5.633 -1.855 417 HA PRO 49 HA PRO 49 10.614 1.335 1.533 418 1HB PRO 49 HB2 PRO 49 12.607 3.559 1.810 419 2HB PRO 49 HB1 PRO 49 12.803 1.832 2.139 420 1HG PRO 49 HG2 PRO 49 13.724 2.912 -0.121 421 2HG PRO 49 HG1 PRO 49 13.013 1.290 -0.098 422 1HD PRO 49 HD2 PRO 49 11.927 3.805 -1.213 423 2HD PRO 49 HD1 PRO 49 11.557 2.125 -1.644 424 H THR 50 HN THR 50 8.948 1.675 2.891 425 HA THR 50 HA THR 50 8.817 4.227 4.335 426 HB THR 50 HB THR 50 6.247 3.711 4.328 427 HG1 THR 50 HG1 THR 50 6.895 2.635 1.790 428 1HG2 THR 50 HG21 THR 50 7.660 4.797 1.888 429 2HG2 THR 50 HG22 THR 50 7.283 5.707 3.351 430 3HG2 THR 50 HG23 THR 50 5.981 5.100 2.328 431 H LYS 51 HN LYS 51 7.375 4.018 6.325 432 HA LYS 51 HA LYS 51 7.873 1.397 7.577 433 1HB LYS 51 HB2 LYS 51 8.364 4.113 8.813 434 2HB LYS 51 HB1 LYS 51 8.577 2.564 9.623 435 1HG LYS 51 HG2 LYS 51 10.368 1.969 8.149 436 2HG LYS 51 HG1 LYS 51 10.078 3.392 7.150 437 1HD LYS 51 HD2 LYS 51 10.665 4.823 9.073 438 2HD LYS 51 HD1 LYS 51 11.036 3.372 10.009 439 1HE LYS 51 HE2 LYS 51 12.785 2.771 8.457 440 2HE LYS 51 HE1 LYS 51 12.370 4.127 7.412 441 1HZ LYS 51 HZ1 LYS 51 14.278 4.675 8.731 442 2HZ LYS 51 HZ2 LYS 51 13.464 4.288 10.167 443 3HZ LYS 51 HZ3 LYS 51 12.972 5.625 9.247 444 H SER 52 HN SER 52 5.496 1.504 6.721 445 HA SER 52 HA SER 52 3.368 1.078 7.351 446 1HB SER 52 HB2 SER 52 4.392 0.168 9.418 447 2HB SER 52 HB1 SER 52 4.247 1.759 10.163 448 HG SER 52 HG SER 52 2.310 -0.156 9.661 449 H GLY 53 HN GLY 53 1.398 2.095 7.669 450 1HA GLY 53 HA2 GLY 53 -0.103 3.812 7.858 451 2HA GLY 53 HA1 GLY 53 1.058 4.611 8.904 452 H ASN 54 HN ASN 54 1.932 3.718 5.661 453 HA ASN 54 HA ASN 54 2.217 6.575 5.074 454 1HB ASN 54 HB2 ASN 54 3.701 5.856 3.228 455 2HB ASN 54 HB1 ASN 54 4.254 5.298 4.802 456 1HD2 ASN 54 HD21 ASN 54 4.155 3.106 5.290 457 2HD2 ASN 54 HD22 ASN 54 3.956 1.903 4.067 458 H VAL 55 HN VAL 55 1.035 7.591 3.618 459 HA VAL 55 HA VAL 55 -1.224 6.202 2.504 460 HB VAL 55 HB VAL 55 -0.413 9.097 2.173 461 1HG1 VAL 55 HG11 VAL 55 -2.751 9.462 1.573 462 2HG1 VAL 55 HG12 VAL 55 -3.063 7.732 1.709 463 3HG1 VAL 55 HG13 VAL 55 -1.977 8.336 0.457 464 1HG2 VAL 55 HG21 VAL 55 -2.071 9.542 3.933 465 2HG2 VAL 55 HG22 VAL 55 -0.731 8.552 4.513 466 3HG2 VAL 55 HG23 VAL 55 -2.286 7.805 4.148 467 H VAL 56 HN VAL 56 -1.063 5.096 0.700 468 HA VAL 56 HA VAL 56 0.884 5.698 -1.344 469 HB VAL 56 HB VAL 56 -1.394 3.707 -1.391 470 1HG1 VAL 56 HG11 VAL 56 1.092 3.891 -3.086 471 2HG1 VAL 56 HG12 VAL 56 -0.558 4.219 -3.613 472 3HG1 VAL 56 HG13 VAL 56 -0.096 2.586 -3.138 473 1HG2 VAL 56 HG21 VAL 56 1.493 3.308 -0.615 474 2HG2 VAL 56 HG22 VAL 56 0.289 2.031 -0.787 475 3HG2 VAL 56 HG23 VAL 56 0.105 3.253 0.471 476 H CYS 57 HN CYS 57 -2.666 5.649 -1.128 477 HA CYS 57 HA CYS 57 -2.733 7.782 -3.152 478 1HB CYS 57 HB2 CYS 57 -3.434 5.584 -4.141 479 2HB CYS 57 HB1 CYS 57 -4.752 5.529 -2.973 480 HG CYS 57 HG CYS 57 -5.434 8.289 -4.111 481 H LYS 58 HN LYS 58 -3.728 9.541 -2.412 482 HA LYS 58 HA LYS 58 -5.347 9.268 0.021 483 1HB LYS 58 HB2 LYS 58 -3.298 10.647 0.200 484 2HB LYS 58 HB1 LYS 58 -3.923 11.709 -1.054 485 1HG LYS 58 HG2 LYS 58 -5.701 12.442 0.338 486 2HG LYS 58 HG1 LYS 58 -5.340 11.209 1.546 487 1HD LYS 58 HD2 LYS 58 -3.091 12.312 1.830 488 2HD LYS 58 HD1 LYS 58 -3.703 13.630 0.827 489 1HE LYS 58 HE2 LYS 58 -3.958 14.164 3.188 490 2HE LYS 58 HE1 LYS 58 -5.534 13.983 2.418 491 1HZ LYS 58 HZ1 LYS 58 -5.537 12.873 4.535 492 2HZ LYS 58 HZ2 LYS 58 -4.161 11.975 4.128 493 3HZ LYS 58 HZ3 LYS 58 -5.621 11.696 3.310 494 H ASN 59 HN ASN 59 -7.404 9.921 0.079 495 HA ASN 59 HA ASN 59 -9.444 10.709 -0.536 496 1HB ASN 59 HB2 ASN 59 -8.005 12.847 -0.829 497 2HB ASN 59 HB1 ASN 59 -8.128 12.526 -2.554 498 1HD2 ASN 59 HD21 ASN 59 -9.823 13.470 0.317 499 2HD2 ASN 59 HD22 ASN 59 -11.277 14.000 -0.460 500 H ILE 60 HN ILE 60 -8.281 8.439 -1.873 501 HA ILE 60 HA ILE 60 -8.698 8.465 -4.648 502 HB ILE 60 HB ILE 60 -7.425 6.694 -3.620 503 1HG1 ILE 60 HG12 ILE 60 -9.965 5.589 -4.835 504 2HG1 ILE 60 HG11 ILE 60 -8.571 6.177 -5.734 505 1HG2 ILE 60 HG21 ILE 60 -8.487 4.945 -2.259 506 2HG2 ILE 60 HG22 ILE 60 -9.985 5.876 -2.266 507 3HG2 ILE 60 HG23 ILE 60 -8.543 6.533 -1.494 508 1HD1 ILE 60 HD11 ILE 60 -8.612 3.750 -5.639 509 2HD1 ILE 60 HD12 ILE 60 -8.598 3.809 -3.877 510 3HD1 ILE 60 HD13 ILE 60 -7.207 4.392 -4.790 511 H MET 61 HN MET 61 -10.443 8.222 -5.906 512 HA MET 61 HA MET 61 -12.588 8.129 -6.600 513 1HB MET 61 HB2 MET 61 -12.895 6.391 -4.151 514 2HB MET 61 HB1 MET 61 -14.155 6.621 -5.354 515 1HG MET 61 HG2 MET 61 -12.629 5.711 -7.072 516 2HG MET 61 HG1 MET 61 -11.442 5.405 -5.807 517 1HE MET 61 HE1 MET 61 -15.319 5.053 -5.389 518 2HE MET 61 HE2 MET 61 -15.585 3.379 -5.873 519 3HE MET 61 HE3 MET 61 -15.081 4.572 -7.069 520 H ASN 62 HN ASN 62 -11.649 10.096 -4.440 521 HA ASN 62 HA ASN 62 -12.471 12.056 -3.681 522 1HB ASN 62 HB2 ASN 62 -15.036 11.164 -4.999 523 2HB ASN 62 HB1 ASN 62 -14.808 12.741 -4.253 524 1HD2 ASN 62 HD21 ASN 62 -13.404 14.227 -5.221 525 2HD2 ASN 62 HD22 ASN 62 -12.942 14.082 -6.884 526 H THR 63 HN THR 63 -13.428 9.116 -2.520 527 HA THR 63 HA THR 63 -15.354 10.041 -0.588 528 HB THR 63 HB THR 63 -15.463 7.734 -1.420 529 HG1 THR 63 HG1 THR 63 -16.057 8.404 0.848 530 1HG2 THR 63 HG21 THR 63 -13.094 7.269 -1.710 531 2HG2 THR 63 HG22 THR 63 -13.825 6.062 -0.651 532 3HG2 THR 63 HG23 THR 63 -12.843 7.356 0.034 533 H GLY 64 HN GLY 64 -12.034 10.238 -0.851 534 1HA GLY 64 HA2 GLY 64 -10.620 11.383 0.588 535 2HA GLY 64 HA1 GLY 64 -11.866 11.317 1.823 536 H VAL 65 HN VAL 65 -11.510 8.240 0.658 537 HA VAL 65 HA VAL 65 -10.188 7.309 2.984 538 HB VAL 65 HB VAL 65 -11.022 5.976 0.419 539 1HG1 VAL 65 HG11 VAL 65 -9.424 4.691 2.636 540 2HG1 VAL 65 HG12 VAL 65 -8.882 4.944 0.976 541 3HG1 VAL 65 HG13 VAL 65 -10.209 3.831 1.311 542 1HG2 VAL 65 HG21 VAL 65 -11.695 5.430 3.306 543 2HG2 VAL 65 HG22 VAL 65 -12.449 4.697 1.889 544 3HG2 VAL 65 HG23 VAL 65 -12.668 6.418 2.215 545 H ASP 66 HN ASP 66 -8.112 7.130 3.415 546 HA ASP 66 HA ASP 66 -6.182 7.489 1.249 547 1HB ASP 66 HB2 ASP 66 -5.459 7.277 4.162 548 2HB ASP 66 HB1 ASP 66 -4.587 8.090 2.870 549 H ILE 67 HN ILE 67 -5.292 5.723 0.404 550 HA ILE 67 HA ILE 67 -5.532 3.189 1.808 551 HB ILE 67 HB ILE 67 -4.337 3.806 -0.909 552 1HG1 ILE 67 HG12 ILE 67 -6.751 4.208 -0.843 553 2HG1 ILE 67 HG11 ILE 67 -6.395 2.769 -1.796 554 1HG2 ILE 67 HG21 ILE 67 -4.919 1.161 0.415 555 2HG2 ILE 67 HG22 ILE 67 -3.333 1.812 -0.000 556 3HG2 ILE 67 HG23 ILE 67 -4.466 1.364 -1.277 557 1HD1 ILE 67 HD11 ILE 67 -8.336 2.416 -0.396 558 2HD1 ILE 67 HD12 ILE 67 -7.397 2.813 1.044 559 3HD1 ILE 67 HD13 ILE 67 -7.014 1.367 0.111 560 H ILE 68 HN ILE 68 -4.080 2.797 3.341 561 HA ILE 68 HA ILE 68 -1.388 3.926 3.010 562 HB ILE 68 HB ILE 68 -1.196 3.775 5.482 563 1HG1 ILE 68 HG12 ILE 68 -4.161 3.173 5.366 564 2HG1 ILE 68 HG11 ILE 68 -2.913 2.021 5.830 565 1HG2 ILE 68 HG21 ILE 68 -1.812 5.857 4.350 566 2HG2 ILE 68 HG22 ILE 68 -2.553 5.728 5.946 567 3HG2 ILE 68 HG23 ILE 68 -3.516 5.425 4.499 568 1HD1 ILE 68 HD11 ILE 68 -2.351 3.402 7.753 569 2HD1 ILE 68 HD12 ILE 68 -4.053 2.939 7.768 570 3HD1 ILE 68 HD13 ILE 68 -3.585 4.569 7.281 571 H CYS 69 HN CYS 69 0.332 2.665 3.003 572 HA CYS 69 HA CYS 69 0.064 -0.198 3.256 573 1HB CYS 69 HB2 CYS 69 1.595 0.523 1.591 574 2HB CYS 69 HB1 CYS 69 2.371 1.659 2.686 575 HG CYS 69 HG CYS 69 4.236 -0.286 2.271 576 H THR 70 HN THR 70 0.679 -1.426 5.003 577 HA THR 70 HA THR 70 1.435 0.134 7.383 578 HB THR 70 HB THR 70 -0.831 -0.870 7.488 579 HG1 THR 70 HG1 THR 70 -0.400 -2.048 9.537 580 1HG2 THR 70 HG21 THR 70 -0.444 -2.863 6.137 581 2HG2 THR 70 HG22 THR 70 -1.070 -3.304 7.726 582 3HG2 THR 70 HG23 THR 70 0.645 -3.502 7.368 583 H LYS 71 HN LYS 71 2.644 -2.056 5.207 584 HA LYS 71 HA LYS 71 4.313 -3.428 7.182 585 1HB LYS 71 HB2 LYS 71 3.284 -4.835 5.451 586 2HB LYS 71 HB1 LYS 71 4.057 -3.872 4.199 587 1HG LYS 71 HG2 LYS 71 6.260 -4.566 5.105 588 2HG LYS 71 HG1 LYS 71 5.415 -5.630 6.230 589 1HD LYS 71 HD2 LYS 71 4.461 -6.875 4.391 590 2HD LYS 71 HD1 LYS 71 5.185 -5.765 3.227 591 1HE LYS 71 HE2 LYS 71 6.524 -7.743 3.319 592 2HE LYS 71 HE1 LYS 71 7.423 -6.427 4.070 593 1HZ LYS 71 HZ1 LYS 71 5.939 -8.580 5.482 594 2HZ LYS 71 HZ2 LYS 71 6.723 -7.284 6.246 595 3HZ LYS 71 HZ3 LYS 71 7.625 -8.423 5.373 596 H ASN 72 HN ASN 72 6.492 -3.134 7.304 597 HA ASN 72 HA ASN 72 7.429 -0.627 6.172 598 1HB ASN 72 HB2 ASN 72 8.695 -2.522 8.170 599 2HB ASN 72 HB1 ASN 72 9.424 -1.011 7.640 600 1HD2 ASN 72 HD21 ASN 72 5.989 -1.478 8.227 601 2HD2 ASN 72 HD22 ASN 72 5.894 -0.429 9.596 602 H LEU 73 HN LEU 73 8.798 -0.434 4.527 603 HA LEU 73 HA LEU 73 9.805 -2.928 3.330 604 1HB LEU 73 HB2 LEU 73 9.172 -0.293 2.004 605 2HB LEU 73 HB1 LEU 73 9.807 -1.710 1.188 606 HG LEU 73 HG LEU 73 7.112 -1.540 2.547 607 1HD1 LEU 73 HD11 LEU 73 7.216 -0.195 0.516 608 2HD1 LEU 73 HD12 LEU 73 6.211 -1.624 0.281 609 3HD1 LEU 73 HD13 LEU 73 7.846 -1.579 -0.378 610 1HD2 LEU 73 HD21 LEU 73 8.033 -3.787 2.635 611 2HD2 LEU 73 HD22 LEU 73 8.379 -3.734 0.907 612 3HD2 LEU 73 HD23 LEU 73 6.708 -3.711 1.472 613 HA PRO 74 HA PRO 74 13.748 -0.880 4.163 614 1HB PRO 74 HB2 PRO 74 15.113 -3.064 4.853 615 2HB PRO 74 HB1 PRO 74 13.944 -2.336 5.962 616 1HG PRO 74 HG2 PRO 74 13.693 -4.779 4.277 617 2HG PRO 74 HG1 PRO 74 13.033 -4.456 5.889 618 1HD PRO 74 HD2 PRO 74 11.655 -4.249 3.442 619 2HD PRO 74 HD1 PRO 74 11.109 -3.626 5.012 620 H LYS 75 HN LYS 75 16.005 -1.469 3.330 621 HA LYS 75 HA LYS 75 15.827 -2.713 0.668 622 1HB LYS 75 HB2 LYS 75 17.557 -0.382 1.529 623 2HB LYS 75 HB1 LYS 75 17.651 -1.179 -0.035 624 1HG LYS 75 HG2 LYS 75 15.358 -0.488 -0.522 625 2HG LYS 75 HG1 LYS 75 15.270 0.311 1.049 626 1HD LYS 75 HD2 LYS 75 15.778 2.057 -0.401 627 2HD LYS 75 HD1 LYS 75 17.353 1.615 0.250 628 1HE LYS 75 HE2 LYS 75 16.238 0.697 -2.399 629 2HE LYS 75 HE1 LYS 75 17.393 2.009 -2.185 630 1HZ LYS 75 HZ1 LYS 75 18.656 0.151 -2.782 631 2HZ LYS 75 HZ2 LYS 75 17.807 -0.890 -1.749 632 3HZ LYS 75 HZ3 LYS 75 18.866 0.265 -1.101 633 H ASP 76 HN ASP 76 17.861 -3.670 -0.085 634 HA ASP 76 HA ASP 76 19.346 -4.831 2.179 635 1HB ASP 76 HB2 ASP 76 17.930 -6.298 0.581 636 2HB ASP 76 HB1 ASP 76 19.208 -6.014 -0.592 637 H SER 77 HN SER 77 21.422 -5.913 0.485 638 HA SER 77 HA SER 77 23.433 -5.411 -0.415 639 1HB SER 77 HB2 SER 77 22.135 -2.815 -1.279 640 2HB SER 77 HB1 SER 77 23.664 -3.458 -1.884 641 HG SER 77 HG SER 77 22.290 -5.396 -2.420 642 H LEU 78 HN LEU 78 22.490 -4.448 2.304 643 HA LEU 78 HA LEU 78 24.393 -2.324 2.851 644 1HB LEU 78 HB2 LEU 78 22.612 -3.910 4.710 645 2HB LEU 78 HB1 LEU 78 23.600 -2.541 5.179 646 HG LEU 78 HG LEU 78 21.263 -2.449 3.270 647 1HD1 LEU 78 HD11 LEU 78 20.606 -2.796 5.598 648 2HD1 LEU 78 HD12 LEU 78 20.151 -1.191 5.029 649 3HD1 LEU 78 HD13 LEU 78 21.557 -1.390 6.075 650 1HD2 LEU 78 HD21 LEU 78 22.981 -0.220 4.355 651 2HD2 LEU 78 HD22 LEU 78 21.560 -0.032 3.327 652 3HD2 LEU 78 HD23 LEU 78 23.006 -0.823 2.698 653 H GLU 79 HN GLU 79 26.308 -2.599 3.952 654 HA GLU 79 HA GLU 79 27.446 -5.233 3.640 655 1HB GLU 79 HB2 GLU 79 29.588 -4.116 4.270 656 2HB GLU 79 HB1 GLU 79 28.795 -3.424 2.867 657 1HG GLU 79 HG2 GLU 79 28.481 -2.250 5.607 658 2HG GLU 79 HG1 GLU 79 29.823 -1.825 4.546 659 H HIS 80 HN HIS 80 25.518 -5.176 5.682 660 HA HIS 80 HA HIS 80 26.865 -5.139 8.218 661 1HB HIS 80 HB2 HIS 80 24.364 -4.822 7.898 662 2HB HIS 80 HB1 HIS 80 24.268 -6.551 7.581 663 HD1 HIS 80 HD1 HIS 80 24.040 -8.044 9.582 664 HD2 HIS 80 HD2 HIS 80 25.350 -4.224 10.586 665 HE1 HIS 80 HE1 HIS 80 24.065 -7.972 12.092 666 HE2 HIS 80 HE2 HIS 80 25.092 -5.743 12.665 667 H HIS 81 HN HIS 81 26.266 -7.431 5.690 668 HA HIS 81 HA HIS 81 27.578 -9.543 7.247 669 1HB HIS 81 HB2 HIS 81 25.511 -10.281 6.256 670 2HB HIS 81 HB1 HIS 81 25.967 -9.625 4.688 671 HD1 HIS 81 HD1 HIS 81 26.483 -11.468 3.130 672 HD2 HIS 81 HD2 HIS 81 27.759 -12.321 7.003 673 HE1 HIS 81 HE1 HIS 81 27.584 -13.721 3.003 674 HE2 HIS 81 HE2 HIS 81 28.272 -14.260 5.361 675 H HIS 82 HN HIS 82 29.719 -9.498 7.058 676 HA HIS 82 HA HIS 82 30.937 -8.569 4.565 677 1HB HIS 82 HB2 HIS 82 32.182 -9.254 7.239 678 2HB HIS 82 HB1 HIS 82 33.074 -8.672 5.839 679 HD1 HIS 82 HD1 HIS 82 32.328 -6.187 4.998 680 HD2 HIS 82 HD2 HIS 82 31.225 -7.304 8.856 681 HE1 HIS 82 HE1 HIS 82 31.833 -4.037 6.222 682 HE2 HIS 82 HE2 HIS 82 31.267 -4.730 8.581 683 H HIS 83 HN HIS 83 30.691 -10.238 3.142 684 HA HIS 83 HA HIS 83 31.787 -12.849 3.883 685 1HB HIS 83 HB2 HIS 83 29.631 -12.804 2.690 686 2HB HIS 83 HB1 HIS 83 30.389 -11.958 1.345 687 HD1 HIS 83 HD1 HIS 83 30.163 -15.340 2.964 688 HD2 HIS 83 HD2 HIS 83 31.812 -13.571 -0.420 689 HE1 HIS 83 HE1 HIS 83 30.889 -17.241 1.487 690 HE2 HIS 83 HE2 HIS 83 31.636 -16.138 -0.646 691 H HIS 84 HN HIS 84 32.009 -10.859 0.930 692 HA HIS 84 HA HIS 84 34.943 -10.988 1.172 693 1HB HIS 84 HB2 HIS 84 33.986 -12.522 -0.628 694 2HB HIS 84 HB1 HIS 84 33.467 -11.063 -1.468 695 HD1 HIS 84 HD1 HIS 84 36.701 -12.510 -0.071 696 HD2 HIS 84 HD2 HIS 84 35.337 -10.135 -3.205 697 HE1 HIS 84 HE1 HIS 84 38.720 -12.043 -1.501 698 HE2 HIS 84 HE2 HIS 84 37.849 -10.703 -3.454 699 H HIS 85 HN HIS 85 33.018 -9.089 2.062 700 HA HIS 85 HA HIS 85 34.123 -6.709 0.818 701 1HB HIS 85 HB2 HIS 85 31.927 -7.121 -0.319 702 2HB HIS 85 HB1 HIS 85 31.137 -7.050 1.250 703 HD1 HIS 85 HD1 HIS 85 31.425 -5.057 -1.543 704 HD2 HIS 85 HD2 HIS 85 32.099 -4.314 2.493 705 HE1 HIS 85 HE1 HIS 85 31.237 -2.559 -1.268 706 HE2 HIS 85 HE2 HIS 85 31.478 -2.156 1.211 Start of MODEL 10 1 1H MET 1 HT1 MET 1 -23.793 2.075 2.716 2 2H MET 1 HT2 MET 1 -23.758 2.130 4.414 3 3H MET 1 HT3 MET 1 -25.172 2.561 3.580 4 HA MET 1 HA MET 1 -25.389 0.383 4.547 5 1HB MET 1 HB2 MET 1 -26.505 0.928 2.401 6 2HB MET 1 HB1 MET 1 -25.117 0.283 1.536 7 1HG MET 1 HG2 MET 1 -25.538 -1.917 2.529 8 2HG MET 1 HG1 MET 1 -26.952 -1.261 3.354 9 1HE MET 1 HE1 MET 1 -28.609 -3.501 0.627 10 2HE MET 1 HE2 MET 1 -28.539 -3.098 2.343 11 3HE MET 1 HE3 MET 1 -27.146 -3.835 1.555 12 H HIS 2 HN HIS 2 -23.772 -0.569 5.667 13 HA HIS 2 HA HIS 2 -22.129 -2.030 6.167 14 1HB HIS 2 HB2 HIS 2 -22.885 -3.034 3.439 15 2HB HIS 2 HB1 HIS 2 -21.593 -3.792 4.363 16 HD1 HIS 2 HD1 HIS 2 -22.334 -5.667 5.787 17 HD2 HIS 2 HD2 HIS 2 -25.407 -2.965 5.060 18 HE1 HIS 2 HE1 HIS 2 -24.368 -6.635 6.908 19 HE2 HIS 2 HE2 HIS 2 -26.170 -4.904 6.595 20 H LYS 3 HN LYS 3 -20.473 -0.638 6.462 21 HA LYS 3 HA LYS 3 -18.598 -0.221 4.236 22 1HB LYS 3 HB2 LYS 3 -18.460 0.879 7.052 23 2HB LYS 3 HB1 LYS 3 -17.526 1.406 5.661 24 1HG LYS 3 HG2 LYS 3 -20.497 1.607 5.573 25 2HG LYS 3 HG1 LYS 3 -19.578 2.785 6.509 26 1HD LYS 3 HD2 LYS 3 -18.219 3.212 4.434 27 2HD LYS 3 HD1 LYS 3 -19.379 2.206 3.557 28 1HE LYS 3 HE2 LYS 3 -21.188 3.695 4.236 29 2HE LYS 3 HE1 LYS 3 -20.046 4.691 5.131 30 1HZ LYS 3 HZ1 LYS 3 -18.882 5.000 2.918 31 2HZ LYS 3 HZ2 LYS 3 -20.370 5.781 3.112 32 3HZ LYS 3 HZ3 LYS 3 -20.280 4.357 2.196 33 H ASP 4 HN ASP 4 -16.785 -1.468 4.091 34 HA ASP 4 HA ASP 4 -15.916 -2.932 6.498 35 1HB ASP 4 HB2 ASP 4 -17.265 -4.407 4.984 36 2HB ASP 4 HB1 ASP 4 -16.067 -4.131 3.722 37 H ILE 5 HN ILE 5 -13.761 -2.959 6.832 38 HA ILE 5 HA ILE 5 -12.042 -1.223 5.482 39 HB ILE 5 HB ILE 5 -11.398 -3.588 7.246 40 1HG1 ILE 5 HG12 ILE 5 -12.651 -1.759 8.323 41 2HG1 ILE 5 HG11 ILE 5 -11.021 -1.906 8.970 42 1HG2 ILE 5 HG21 ILE 5 -9.155 -2.637 7.501 43 2HG2 ILE 5 HG22 ILE 5 -9.538 -1.417 6.286 44 3HG2 ILE 5 HG23 ILE 5 -9.475 -3.121 5.835 45 1HD1 ILE 5 HD11 ILE 5 -11.934 0.127 6.950 46 2HD1 ILE 5 HD12 ILE 5 -10.306 -0.016 7.612 47 3HD1 ILE 5 HD13 ILE 5 -11.652 0.419 8.666 48 H PHE 6 HN PHE 6 -10.909 -1.367 3.687 49 HA PHE 6 HA PHE 6 -10.827 -3.934 2.260 50 1HB PHE 6 HB2 PHE 6 -11.910 -2.115 1.057 51 2HB PHE 6 HB1 PHE 6 -10.506 -1.083 1.292 52 HD1 PHE 6 HD2 PHE 6 -11.614 -4.226 -0.349 53 HD2 PHE 6 HD1 PHE 6 -8.801 -1.035 -0.288 54 HE1 PHE 6 HE2 PHE 6 -10.705 -4.992 -2.503 55 HE2 PHE 6 HE1 PHE 6 -7.890 -1.793 -2.442 56 HZ PHE 6 HZ PHE 6 -8.843 -3.772 -3.550 57 H THR 7 HN THR 7 -9.002 -5.023 2.449 58 HA THR 7 HA THR 7 -6.444 -3.548 2.520 59 HB THR 7 HB THR 7 -6.935 -6.283 3.719 60 HG1 THR 7 HG1 THR 7 -8.152 -4.461 4.707 61 1HG2 THR 7 HG21 THR 7 -4.723 -4.261 4.111 62 2HG2 THR 7 HG22 THR 7 -4.600 -5.770 3.207 63 3HG2 THR 7 HG23 THR 7 -4.861 -5.805 4.950 64 H SER 8 HN SER 8 -4.857 -4.222 1.102 65 HA SER 8 HA SER 8 -5.055 -6.723 -0.321 66 1HB SER 8 HB2 SER 8 -5.477 -4.104 -1.783 67 2HB SER 8 HB1 SER 8 -5.091 -5.628 -2.582 68 HG SER 8 HG SER 8 -7.196 -5.783 -0.819 69 H VAL 9 HN VAL 9 -3.278 -6.664 -2.175 70 HA VAL 9 HA VAL 9 -0.968 -5.154 -1.156 71 HB VAL 9 HB VAL 9 0.468 -6.912 -2.206 72 1HG1 VAL 9 HG11 VAL 9 0.130 -8.568 -0.421 73 2HG1 VAL 9 HG12 VAL 9 -1.425 -7.824 -0.045 74 3HG1 VAL 9 HG13 VAL 9 0.069 -6.912 0.180 75 1HG2 VAL 9 HG21 VAL 9 -2.131 -8.428 -2.448 76 2HG2 VAL 9 HG22 VAL 9 -0.519 -9.092 -2.721 77 3HG2 VAL 9 HG23 VAL 9 -1.146 -7.835 -3.786 78 H VAL 10 HN VAL 10 0.018 -3.793 -2.499 79 HA VAL 10 HA VAL 10 -0.929 -3.734 -5.288 80 HB VAL 10 HB VAL 10 -1.515 -1.759 -3.861 81 1HG1 VAL 10 HG11 VAL 10 0.228 -0.135 -3.314 82 2HG1 VAL 10 HG12 VAL 10 1.454 -1.273 -3.875 83 3HG1 VAL 10 HG13 VAL 10 0.460 -1.667 -2.473 84 1HG2 VAL 10 HG21 VAL 10 -1.433 -1.526 -6.265 85 2HG2 VAL 10 HG22 VAL 10 0.301 -1.203 -6.198 86 3HG2 VAL 10 HG23 VAL 10 -0.840 -0.057 -5.491 87 H ARG 11 HN ARG 11 0.643 -3.112 -6.929 88 HA ARG 11 HA ARG 11 3.106 -4.496 -6.602 89 1HB ARG 11 HB2 ARG 11 2.265 -2.629 -8.827 90 2HB ARG 11 HB1 ARG 11 3.601 -3.774 -8.881 91 1HG ARG 11 HG2 ARG 11 0.684 -4.468 -8.606 92 2HG ARG 11 HG1 ARG 11 1.661 -4.631 -10.065 93 1HD ARG 11 HD2 ARG 11 2.906 -6.386 -9.184 94 2HD ARG 11 HD1 ARG 11 2.470 -5.987 -7.521 95 HE ARG 11 HE ARG 11 0.110 -6.675 -8.359 96 1HH1 ARG 11 HH11 ARG 11 3.151 -8.160 -9.285 97 2HH1 ARG 11 HH12 ARG 11 2.450 -9.738 -9.513 98 1HH2 ARG 11 HH21 ARG 11 -0.810 -8.742 -8.648 99 2HH2 ARG 11 HH22 ARG 11 0.201 -10.070 -9.159 100 H VAL 12 HN VAL 12 4.983 -3.799 -5.883 101 HA VAL 12 HA VAL 12 5.231 -0.929 -5.317 102 HB VAL 12 HB VAL 12 5.181 -2.314 -3.310 103 1HG1 VAL 12 HG11 VAL 12 6.001 -4.395 -4.223 104 2HG1 VAL 12 HG12 VAL 12 6.975 -3.912 -2.835 105 3HG1 VAL 12 HG13 VAL 12 7.594 -3.685 -4.471 106 1HG2 VAL 12 HG21 VAL 12 7.929 -1.233 -3.866 107 2HG2 VAL 12 HG22 VAL 12 7.286 -1.635 -2.274 108 3HG2 VAL 12 HG23 VAL 12 6.560 -0.329 -3.215 109 H ARG 13 HN ARG 13 6.911 0.210 -6.035 110 HA ARG 13 HA ARG 13 9.126 -1.202 -7.379 111 1HB ARG 13 HB2 ARG 13 7.889 1.440 -8.194 112 2HB ARG 13 HB1 ARG 13 9.214 0.618 -9.008 113 1HG ARG 13 HG2 ARG 13 7.776 -1.153 -9.710 114 2HG ARG 13 HG1 ARG 13 6.449 -0.534 -8.724 115 1HD ARG 13 HD2 ARG 13 6.118 0.052 -11.054 116 2HD ARG 13 HD1 ARG 13 6.400 1.500 -10.089 117 HE ARG 13 HE ARG 13 8.549 0.241 -11.671 118 1HH1 ARG 13 HH11 ARG 13 6.710 3.051 -10.672 119 2HH1 ARG 13 HH12 ARG 13 7.630 4.162 -11.641 120 1HH2 ARG 13 HH21 ARG 13 9.750 1.706 -12.968 121 2HH2 ARG 13 HH22 ARG 13 9.339 3.391 -12.957 122 H GLY 14 HN GLY 14 10.988 0.589 -7.722 123 1HA GLY 14 HA2 GLY 14 11.906 2.652 -6.811 124 2HA GLY 14 HA1 GLY 14 11.103 2.276 -5.297 125 H SER 15 HN SER 15 13.174 2.637 -4.306 126 HA SER 15 HA SER 15 15.373 0.880 -4.970 127 1HB SER 15 HB2 SER 15 15.288 2.716 -2.592 128 2HB SER 15 HB1 SER 15 16.671 2.244 -3.577 129 HG SER 15 HG SER 15 16.056 3.628 -5.146 130 H LYS 16 HN LYS 16 12.729 -0.011 -3.602 131 HA LYS 16 HA LYS 16 13.641 -0.997 -1.051 132 1HB LYS 16 HB2 LYS 16 11.392 -2.182 -1.053 133 2HB LYS 16 HB1 LYS 16 11.351 -0.428 -1.079 134 1HG LYS 16 HG2 LYS 16 9.667 -1.350 -2.552 135 2HG LYS 16 HG1 LYS 16 10.879 -0.473 -3.481 136 1HD LYS 16 HD2 LYS 16 11.931 -2.564 -4.130 137 2HD LYS 16 HD1 LYS 16 10.802 -3.472 -3.122 138 1HE LYS 16 HE2 LYS 16 8.999 -2.998 -4.520 139 2HE LYS 16 HE1 LYS 16 9.844 -1.674 -5.320 140 1HZ LYS 16 HZ1 LYS 16 10.493 -4.563 -5.575 141 2HZ LYS 16 HZ2 LYS 16 11.334 -3.299 -6.329 142 3HZ LYS 16 HZ3 LYS 16 9.718 -3.611 -6.743 143 H LYS 17 HN LYS 17 13.023 -3.426 -0.632 144 HA LYS 17 HA LYS 17 13.969 -5.065 -2.877 145 1HB LYS 17 HB2 LYS 17 14.654 -5.414 0.052 146 2HB LYS 17 HB1 LYS 17 15.097 -6.536 -1.231 147 1HG LYS 17 HG2 LYS 17 16.431 -4.824 -2.310 148 2HG LYS 17 HG1 LYS 17 15.936 -3.646 -1.096 149 1HD LYS 17 HD2 LYS 17 17.047 -5.008 0.634 150 2HD LYS 17 HD1 LYS 17 17.579 -6.133 -0.621 151 1HE LYS 17 HE2 LYS 17 18.811 -4.340 -1.720 152 2HE LYS 17 HE1 LYS 17 18.264 -3.197 -0.498 153 1HZ LYS 17 HZ1 LYS 17 19.457 -4.507 1.173 154 2HZ LYS 17 HZ2 LYS 17 20.492 -3.908 -0.029 155 3HZ LYS 17 HZ3 LYS 17 20.027 -5.543 -0.044 156 H TYR 18 HN TYR 18 11.644 -5.058 -3.222 157 HA TYR 18 HA TYR 18 10.360 -7.374 -2.075 158 1HB TYR 18 HB2 TYR 18 9.298 -4.586 -1.674 159 2HB TYR 18 HB1 TYR 18 8.201 -5.955 -1.780 160 HD1 TYR 18 HD2 TYR 18 8.483 -7.837 -0.098 161 HD2 TYR 18 HD1 TYR 18 10.345 -4.040 0.356 162 HE1 TYR 18 HE2 TYR 18 8.751 -8.267 2.306 163 HE2 TYR 18 HE1 TYR 18 10.618 -4.458 2.765 164 HH TYR 18 HH TYR 18 10.146 -7.530 4.174 165 H ASN 19 HN ASN 19 8.058 -7.543 -3.218 166 HA ASN 19 HA ASN 19 8.252 -6.396 -5.928 167 1HB ASN 19 HB2 ASN 19 8.820 -8.740 -6.100 168 2HB ASN 19 HB1 ASN 19 7.412 -9.200 -5.153 169 1HD2 ASN 19 HD21 ASN 19 8.541 -8.030 -8.239 170 2HD2 ASN 19 HD22 ASN 19 7.101 -8.404 -9.125 171 H VAL 20 HN VAL 20 6.323 -7.079 -3.181 172 HA VAL 20 HA VAL 20 4.121 -5.551 -4.300 173 HB VAL 20 HB VAL 20 2.431 -7.125 -3.312 174 1HG1 VAL 20 HG11 VAL 20 2.433 -8.698 -5.177 175 2HG1 VAL 20 HG12 VAL 20 4.105 -8.273 -5.542 176 3HG1 VAL 20 HG13 VAL 20 2.829 -7.067 -5.719 177 1HG2 VAL 20 HG21 VAL 20 4.773 -9.021 -3.189 178 2HG2 VAL 20 HG22 VAL 20 3.084 -9.458 -2.927 179 3HG2 VAL 20 HG23 VAL 20 3.894 -8.356 -1.812 180 H VAL 21 HN VAL 21 2.866 -4.521 -2.658 181 HA VAL 21 HA VAL 21 4.004 -4.764 0.037 182 HB VAL 21 HB VAL 21 5.054 -2.849 -1.099 183 1HG1 VAL 21 HG11 VAL 21 2.263 -1.740 -1.263 184 2HG1 VAL 21 HG12 VAL 21 3.295 -2.209 -2.615 185 3HG1 VAL 21 HG13 VAL 21 3.742 -0.839 -1.598 186 1HG2 VAL 21 HG21 VAL 21 4.810 -2.800 1.304 187 2HG2 VAL 21 HG22 VAL 21 3.203 -2.092 1.148 188 3HG2 VAL 21 HG23 VAL 21 4.623 -1.178 0.638 189 HA PRO 22 HA PRO 22 -0.289 -5.044 1.164 190 1HB PRO 22 HB2 PRO 22 0.613 -4.521 3.903 191 2HB PRO 22 HB1 PRO 22 -0.131 -5.972 3.231 192 1HG PRO 22 HG2 PRO 22 2.464 -5.872 3.973 193 2HG PRO 22 HG1 PRO 22 1.886 -6.891 2.643 194 1HD PRO 22 HD2 PRO 22 3.306 -4.263 2.546 195 2HD PRO 22 HD1 PRO 22 3.484 -5.683 1.496 196 H VAL 23 HN VAL 23 -1.831 -3.564 1.208 197 HA VAL 23 HA VAL 23 -1.353 -0.975 2.512 198 HB VAL 23 HB VAL 23 -2.569 0.180 0.720 199 1HG1 VAL 23 HG11 VAL 23 -0.855 0.045 -1.032 200 2HG1 VAL 23 HG12 VAL 23 -0.220 -1.418 -0.279 201 3HG1 VAL 23 HG13 VAL 23 -0.152 0.118 0.585 202 1HG2 VAL 23 HG21 VAL 23 -3.966 -1.625 -0.091 203 2HG2 VAL 23 HG22 VAL 23 -2.546 -2.495 -0.678 204 3HG2 VAL 23 HG23 VAL 23 -3.014 -0.964 -1.419 205 H LYS 24 HN LYS 24 -3.269 0.066 3.279 206 HA LYS 24 HA LYS 24 -5.701 -1.562 3.300 207 1HB LYS 24 HB2 LYS 24 -5.922 -1.275 5.756 208 2HB LYS 24 HB1 LYS 24 -4.545 -2.270 5.300 209 1HG LYS 24 HG2 LYS 24 -3.037 -0.414 5.675 210 2HG LYS 24 HG1 LYS 24 -4.399 0.644 6.043 211 1HD LYS 24 HD2 LYS 24 -3.609 -1.812 7.610 212 2HD LYS 24 HD1 LYS 24 -3.270 -0.145 8.077 213 1HE LYS 24 HE2 LYS 24 -5.750 0.262 8.030 214 2HE LYS 24 HE1 LYS 24 -5.960 -1.477 7.823 215 1HZ LYS 24 HZ1 LYS 24 -6.175 -0.952 10.122 216 2HZ LYS 24 HZ2 LYS 24 -4.716 -0.087 10.130 217 3HZ LYS 24 HZ3 LYS 24 -4.702 -1.769 9.922 218 H SER 25 HN SER 25 -7.462 -0.310 4.544 219 HA SER 25 HA SER 25 -7.381 2.493 3.658 220 1HB SER 25 HB2 SER 25 -9.991 2.086 3.921 221 2HB SER 25 HB1 SER 25 -9.131 1.589 2.463 222 HG SER 25 HG SER 25 -9.052 -0.501 3.239 223 H ASN 26 HN ASN 26 -7.619 4.066 5.111 224 HA ASN 26 HA ASN 26 -7.561 3.439 7.894 225 1HB ASN 26 HB2 ASN 26 -7.459 5.853 8.247 226 2HB ASN 26 HB1 ASN 26 -6.348 5.373 6.972 227 1HD2 ASN 26 HD21 ASN 26 -7.554 7.966 7.540 228 2HD2 ASN 26 HD22 ASN 26 -8.353 8.437 6.082 229 H LYS 27 HN LYS 27 -10.025 4.264 5.631 230 HA LYS 27 HA LYS 27 -12.003 4.291 7.811 231 1HB LYS 27 HB2 LYS 27 -12.186 5.749 5.163 232 2HB LYS 27 HB1 LYS 27 -13.387 5.783 6.447 233 1HG LYS 27 HG2 LYS 27 -11.929 6.979 7.887 234 2HG LYS 27 HG1 LYS 27 -10.562 6.744 6.796 235 1HD LYS 27 HD2 LYS 27 -11.821 8.073 5.082 236 2HD LYS 27 HD1 LYS 27 -13.012 8.438 6.334 237 1HE LYS 27 HE2 LYS 27 -11.325 9.514 7.683 238 2HE LYS 27 HE1 LYS 27 -10.066 9.050 6.540 239 1HZ LYS 27 HZ1 LYS 27 -12.252 11.014 6.131 240 2HZ LYS 27 HZ2 LYS 27 -11.314 10.404 4.858 241 3HZ LYS 27 HZ3 LYS 27 -10.581 11.288 6.099 242 HA PRO 28 HA PRO 28 -13.498 0.504 6.096 243 1HB PRO 28 HB2 PRO 28 -16.140 1.628 6.914 244 2HB PRO 28 HB1 PRO 28 -15.432 0.046 7.262 245 1HG PRO 28 HG2 PRO 28 -15.498 1.937 9.127 246 2HG PRO 28 HG1 PRO 28 -14.086 0.877 8.959 247 1HD PRO 28 HD2 PRO 28 -14.426 3.726 8.147 248 2HD PRO 28 HD1 PRO 28 -12.986 2.890 8.761 249 H VAL 29 HN VAL 29 -14.078 -0.094 4.119 250 HA VAL 29 HA VAL 29 -15.029 1.975 2.292 251 HB VAL 29 HB VAL 29 -13.959 -0.778 1.671 252 1HG1 VAL 29 HG11 VAL 29 -14.389 1.628 -0.095 253 2HG1 VAL 29 HG12 VAL 29 -15.328 0.135 -0.115 254 3HG1 VAL 29 HG13 VAL 29 -13.630 0.114 -0.588 255 1HG2 VAL 29 HG21 VAL 29 -12.280 0.535 2.818 256 2HG2 VAL 29 HG22 VAL 29 -12.541 1.881 1.705 257 3HG2 VAL 29 HG23 VAL 29 -11.859 0.365 1.113 258 H GLU 30 HN GLU 30 -17.051 2.011 1.590 259 HA GLU 30 HA GLU 30 -18.986 0.160 2.453 260 1HB GLU 30 HB2 GLU 30 -19.263 2.613 1.709 261 2HB GLU 30 HB1 GLU 30 -19.332 1.967 0.075 262 1HG GLU 30 HG2 GLU 30 -21.312 0.786 0.512 263 2HG GLU 30 HG1 GLU 30 -21.143 0.995 2.254 264 H ILE 31 HN ILE 31 -19.857 -1.619 1.504 265 HA ILE 31 HA ILE 31 -18.205 -2.954 -0.398 266 HB ILE 31 HB ILE 31 -19.927 -4.785 -0.235 267 1HG1 ILE 31 HG12 ILE 31 -21.076 -3.587 2.188 268 2HG1 ILE 31 HG11 ILE 31 -21.567 -2.792 0.692 269 1HG2 ILE 31 HG21 ILE 31 -17.917 -4.785 1.117 270 2HG2 ILE 31 HG22 ILE 31 -19.282 -5.387 2.058 271 3HG2 ILE 31 HG23 ILE 31 -18.693 -3.744 2.310 272 1HD1 ILE 31 HD11 ILE 31 -21.819 -5.719 1.297 273 2HD1 ILE 31 HD12 ILE 31 -22.314 -4.914 -0.193 274 3HD1 ILE 31 HD13 ILE 31 -23.122 -4.531 1.329 275 H SER 32 HN SER 32 -18.621 -1.164 -1.924 276 HA SER 32 HA SER 32 -20.262 -2.198 -4.055 277 1HB SER 32 HB2 SER 32 -21.249 0.129 -4.475 278 2HB SER 32 HB1 SER 32 -21.931 -0.793 -3.135 279 HG SER 32 HG SER 32 -21.552 1.144 -2.258 280 H LYS 33 HN LYS 33 -17.880 0.125 -2.899 281 HA LYS 33 HA LYS 33 -16.902 0.603 -5.599 282 1HB LYS 33 HB2 LYS 33 -15.982 1.675 -2.920 283 2HB LYS 33 HB1 LYS 33 -15.233 2.082 -4.453 284 1HG LYS 33 HG2 LYS 33 -16.621 3.892 -3.935 285 2HG LYS 33 HG1 LYS 33 -17.503 2.976 -5.157 286 1HD LYS 33 HD2 LYS 33 -18.916 1.997 -3.477 287 2HD LYS 33 HD1 LYS 33 -17.960 2.725 -2.186 288 1HE LYS 33 HE2 LYS 33 -20.073 3.924 -2.617 289 2HE LYS 33 HE1 LYS 33 -18.649 4.934 -2.857 290 1HZ LYS 33 HZ1 LYS 33 -20.031 3.546 -5.083 291 2HZ LYS 33 HZ2 LYS 33 -18.878 4.785 -5.187 292 3HZ LYS 33 HZ3 LYS 33 -20.428 5.119 -4.588 293 H TRP 34 HN TRP 34 -16.696 -1.835 -3.562 294 HA TRP 34 HA TRP 34 -14.075 -2.353 -2.897 295 1HB TRP 34 HB2 TRP 34 -16.092 -3.657 -2.202 296 2HB TRP 34 HB1 TRP 34 -16.125 -4.389 -3.801 297 HD1 TRP 34 HD1 TRP 34 -14.194 -6.186 -4.361 298 HE1 TRP 34 HE1 TRP 34 -12.710 -7.624 -2.822 299 HE3 TRP 34 HE3 TRP 34 -14.892 -3.640 0.011 300 HZ2 TRP 34 HZ2 TRP 34 -11.941 -7.658 -0.102 301 HZ3 TRP 34 HZ3 TRP 34 -13.750 -4.438 2.040 302 HH2 TRP 34 HH2 TRP 34 -12.306 -6.408 1.980 303 H ILE 35 HN ILE 35 -15.771 -3.313 -5.870 304 HA ILE 35 HA ILE 35 -13.462 -4.618 -6.953 305 HB ILE 35 HB ILE 35 -16.000 -3.775 -8.370 306 1HG1 ILE 35 HG12 ILE 35 -15.257 -6.435 -7.130 307 2HG1 ILE 35 HG11 ILE 35 -16.417 -5.294 -6.461 308 1HG2 ILE 35 HG21 ILE 35 -14.163 -4.208 -9.911 309 2HG2 ILE 35 HG22 ILE 35 -15.385 -5.475 -10.025 310 3HG2 ILE 35 HG23 ILE 35 -13.882 -5.776 -9.152 311 1HD1 ILE 35 HD11 ILE 35 -16.673 -6.732 -9.093 312 2HD1 ILE 35 HD12 ILE 35 -17.839 -5.593 -8.421 313 3HD1 ILE 35 HD13 ILE 35 -17.529 -7.125 -7.604 314 H ASP 36 HN ASP 36 -15.032 -1.497 -7.350 315 HA ASP 36 HA ASP 36 -13.539 -0.576 -9.544 316 1HB ASP 36 HB2 ASP 36 -15.631 0.418 -8.139 317 2HB ASP 36 HB1 ASP 36 -14.330 1.436 -7.525 318 H PHE 37 HN PHE 37 -12.947 -0.462 -6.072 319 HA PHE 37 HA PHE 37 -10.614 1.088 -6.082 320 1HB PHE 37 HB2 PHE 37 -11.703 -1.010 -4.243 321 2HB PHE 37 HB1 PHE 37 -10.063 -0.422 -4.003 322 HD1 PHE 37 HD1 PHE 37 -12.581 1.857 -5.318 323 HD2 PHE 37 HD2 PHE 37 -10.679 0.397 -1.804 324 HE1 PHE 37 HE1 PHE 37 -13.453 3.778 -4.054 325 HE2 PHE 37 HE2 PHE 37 -11.553 2.309 -0.531 326 HZ PHE 37 HZ PHE 37 -12.944 3.997 -1.653 327 H SER 38 HN SER 38 -10.980 -2.467 -6.248 328 HA SER 38 HA SER 38 -8.224 -2.958 -6.531 329 1HB SER 38 HB2 SER 38 -8.991 -5.174 -7.537 330 2HB SER 38 HB1 SER 38 -9.530 -4.806 -5.901 331 HG SER 38 HG SER 38 -11.255 -3.904 -7.832 332 H ASN 39 HN ASN 39 -10.605 -1.933 -8.854 333 HA ASN 39 HA ASN 39 -9.145 -2.518 -11.212 334 1HB ASN 39 HB2 ASN 39 -11.172 -0.342 -10.652 335 2HB ASN 39 HB1 ASN 39 -10.500 -0.669 -12.244 336 1HD2 ASN 39 HD21 ASN 39 -13.240 -0.778 -11.306 337 2HD2 ASN 39 HD22 ASN 39 -13.799 -2.382 -11.626 338 H VAL 40 HN VAL 40 -9.384 0.407 -9.218 339 HA VAL 40 HA VAL 40 -7.520 1.945 -10.671 340 HB VAL 40 HB VAL 40 -8.194 2.195 -7.730 341 1HG1 VAL 40 HG11 VAL 40 -6.245 3.497 -8.315 342 2HG1 VAL 40 HG12 VAL 40 -7.620 4.577 -8.072 343 3HG1 VAL 40 HG13 VAL 40 -7.083 4.185 -9.706 344 1HG2 VAL 40 HG21 VAL 40 -10.226 2.215 -9.057 345 2HG2 VAL 40 HG22 VAL 40 -9.536 3.433 -10.130 346 3HG2 VAL 40 HG23 VAL 40 -9.882 3.834 -8.448 347 H LEU 41 HN LEU 41 -7.163 -0.189 -7.864 348 HA LEU 41 HA LEU 41 -4.447 0.335 -7.364 349 1HB LEU 41 HB2 LEU 41 -6.154 -2.071 -6.785 350 2HB LEU 41 HB1 LEU 41 -4.482 -1.955 -6.269 351 HG LEU 41 HG LEU 41 -6.753 -0.156 -5.418 352 1HD1 LEU 41 HD11 LEU 41 -5.109 -2.202 -3.938 353 2HD1 LEU 41 HD12 LEU 41 -6.816 -2.326 -4.359 354 3HD1 LEU 41 HD13 LEU 41 -6.279 -1.110 -3.199 355 1HD2 LEU 41 HD21 LEU 41 -4.665 1.108 -5.634 356 2HD2 LEU 41 HD22 LEU 41 -3.841 -0.080 -4.626 357 3HD2 LEU 41 HD23 LEU 41 -5.130 0.912 -3.944 358 H SER 42 HN SER 42 -5.979 -1.738 -9.722 359 HA SER 42 HA SER 42 -3.642 -3.263 -10.310 360 1HB SER 42 HB2 SER 42 -6.129 -2.808 -11.973 361 2HB SER 42 HB1 SER 42 -4.895 -4.029 -12.292 362 HG SER 42 HG SER 42 -6.679 -3.855 -10.094 363 H ARG 43 HN ARG 43 -4.540 -0.085 -10.983 364 HA ARG 43 HA ARG 43 -2.626 0.071 -13.211 365 1HB ARG 43 HB2 ARG 43 -4.785 2.002 -12.352 366 2HB ARG 43 HB1 ARG 43 -3.611 2.328 -13.619 367 1HG ARG 43 HG2 ARG 43 -4.462 0.360 -14.853 368 2HG ARG 43 HG1 ARG 43 -5.702 0.165 -13.612 369 1HD ARG 43 HD2 ARG 43 -6.634 2.313 -14.133 370 2HD ARG 43 HD1 ARG 43 -5.314 2.661 -15.249 371 HE ARG 43 HE ARG 43 -7.339 0.555 -15.693 372 1HH1 ARG 43 HH11 ARG 43 -5.169 3.050 -16.859 373 2HH1 ARG 43 HH12 ARG 43 -5.653 2.875 -18.527 374 1HH2 ARG 43 HH21 ARG 43 -7.973 0.313 -17.877 375 2HH2 ARG 43 HH22 ARG 43 -7.243 1.303 -19.102 376 H LEU 44 HN LEU 44 -2.609 0.245 -10.004 377 HA LEU 44 HA LEU 44 -0.966 2.656 -9.844 378 1HB LEU 44 HB2 LEU 44 -2.325 0.986 -7.755 379 2HB LEU 44 HB1 LEU 44 -1.064 2.129 -7.332 380 HG LEU 44 HG LEU 44 -3.709 2.772 -8.624 381 1HD1 LEU 44 HD11 LEU 44 -4.135 3.986 -6.552 382 2HD1 LEU 44 HD12 LEU 44 -2.575 3.459 -5.917 383 3HD1 LEU 44 HD13 LEU 44 -3.842 2.274 -6.240 384 1HD2 LEU 44 HD21 LEU 44 -3.031 5.111 -8.458 385 2HD2 LEU 44 HD22 LEU 44 -1.951 4.205 -9.517 386 3HD2 LEU 44 HD23 LEU 44 -1.442 4.611 -7.879 387 H TYR 45 HN TYR 45 1.079 2.465 -10.040 388 HA TYR 45 HA TYR 45 2.439 0.152 -8.830 389 1HB TYR 45 HB2 TYR 45 3.067 1.699 -11.336 390 2HB TYR 45 HB1 TYR 45 4.342 0.853 -10.462 391 HD1 TYR 45 HD1 TYR 45 1.143 0.385 -12.272 392 HD2 TYR 45 HD2 TYR 45 4.584 -1.488 -10.619 393 HE1 TYR 45 HE1 TYR 45 0.534 -1.713 -13.399 394 HE2 TYR 45 HE2 TYR 45 3.986 -3.592 -11.737 395 HH TYR 45 HH TYR 45 1.459 -3.756 -14.116 396 H VAL 46 HN VAL 46 3.058 0.864 -6.900 397 HA VAL 46 HA VAL 46 3.641 3.699 -6.560 398 HB VAL 46 HB VAL 46 3.504 3.264 -4.159 399 1HG1 VAL 46 HG11 VAL 46 1.226 2.049 -5.723 400 2HG1 VAL 46 HG12 VAL 46 1.448 3.759 -5.353 401 3HG1 VAL 46 HG13 VAL 46 1.133 2.607 -4.054 402 1HG2 VAL 46 HG21 VAL 46 2.895 1.051 -3.308 403 2HG2 VAL 46 HG22 VAL 46 4.458 1.016 -4.124 404 3HG2 VAL 46 HG23 VAL 46 3.024 0.386 -4.936 405 H GLY 47 HN GLY 47 5.376 3.919 -4.591 406 1HA GLY 47 HA2 GLY 47 7.599 2.135 -4.769 407 2HA GLY 47 HA1 GLY 47 7.872 3.611 -5.688 408 H VAL 48 HN VAL 48 9.658 3.746 -4.105 409 HA VAL 48 HA VAL 48 10.677 4.777 -2.367 410 HB VAL 48 HB VAL 48 7.973 5.994 -1.771 411 1HG1 VAL 48 HG11 VAL 48 9.235 7.679 -0.529 412 2HG1 VAL 48 HG12 VAL 48 10.730 6.803 -0.855 413 3HG1 VAL 48 HG13 VAL 48 9.481 6.069 0.150 414 1HG2 VAL 48 HG21 VAL 48 10.305 7.045 -3.367 415 2HG2 VAL 48 HG22 VAL 48 8.871 7.973 -2.937 416 3HG2 VAL 48 HG23 VAL 48 8.730 6.574 -4.002 417 HA PRO 49 HA PRO 49 9.696 1.436 0.551 418 1HB PRO 49 HB2 PRO 49 12.183 1.724 1.760 419 2HB PRO 49 HB1 PRO 49 11.813 0.616 0.437 420 1HG PRO 49 HG2 PRO 49 13.110 3.297 0.364 421 2HG PRO 49 HG1 PRO 49 13.439 1.860 -0.618 422 1HD PRO 49 HD2 PRO 49 12.065 3.970 -1.575 423 2HD PRO 49 HD1 PRO 49 11.707 2.304 -2.074 424 H THR 50 HN THR 50 8.298 2.183 2.011 425 HA THR 50 HA THR 50 9.048 4.463 3.700 426 HB THR 50 HB THR 50 6.433 4.284 4.125 427 HG1 THR 50 HG1 THR 50 6.358 3.573 1.438 428 1HG2 THR 50 HG21 THR 50 7.640 5.441 1.605 429 2HG2 THR 50 HG22 THR 50 7.591 6.234 3.179 430 3HG2 THR 50 HG23 THR 50 6.091 5.904 2.311 431 H LYS 51 HN LYS 51 7.156 4.183 5.677 432 HA LYS 51 HA LYS 51 7.801 1.612 6.960 433 1HB LYS 51 HB2 LYS 51 7.784 4.341 8.271 434 2HB LYS 51 HB1 LYS 51 8.022 2.812 9.107 435 1HG LYS 51 HG2 LYS 51 9.833 3.933 6.974 436 2HG LYS 51 HG1 LYS 51 10.132 3.991 8.713 437 1HD LYS 51 HD2 LYS 51 10.279 1.606 8.836 438 2HD LYS 51 HD1 LYS 51 9.741 1.437 7.166 439 1HE LYS 51 HE2 LYS 51 12.287 2.823 7.996 440 2HE LYS 51 HE1 LYS 51 12.197 1.135 7.496 441 1HZ LYS 51 HZ1 LYS 51 11.472 3.489 5.826 442 2HZ LYS 51 HZ2 LYS 51 11.348 1.869 5.345 443 3HZ LYS 51 HZ3 LYS 51 12.869 2.540 5.669 444 H SER 52 HN SER 52 6.286 1.316 8.962 445 HA SER 52 HA SER 52 3.695 1.078 7.937 446 1HB SER 52 HB2 SER 52 3.094 0.585 10.386 447 2HB SER 52 HB1 SER 52 4.287 -0.461 9.615 448 HG SER 52 HG SER 52 4.563 0.921 11.831 449 H GLY 53 HN GLY 53 1.882 2.273 8.045 450 1HA GLY 53 HA2 GLY 53 0.429 3.903 8.878 451 2HA GLY 53 HA1 GLY 53 1.733 4.526 9.881 452 H ASN 54 HN ASN 54 2.341 3.895 6.539 453 HA ASN 54 HA ASN 54 2.582 6.786 6.113 454 1HB ASN 54 HB2 ASN 54 4.051 6.337 4.308 455 2HB ASN 54 HB1 ASN 54 4.522 5.236 5.593 456 1HD2 ASN 54 HD21 ASN 54 4.242 3.044 5.322 457 2HD2 ASN 54 HD22 ASN 54 3.856 2.340 3.788 458 H VAL 55 HN VAL 55 1.223 7.880 4.815 459 HA VAL 55 HA VAL 55 -0.950 6.436 3.567 460 HB VAL 55 HB VAL 55 -0.341 9.402 3.527 461 1HG1 VAL 55 HG11 VAL 55 -1.736 8.729 1.652 462 2HG1 VAL 55 HG12 VAL 55 -2.678 9.648 2.825 463 3HG1 VAL 55 HG13 VAL 55 -2.836 7.893 2.750 464 1HG2 VAL 55 HG21 VAL 55 -2.278 7.836 5.228 465 2HG2 VAL 55 HG22 VAL 55 -2.093 9.590 5.219 466 3HG2 VAL 55 HG23 VAL 55 -0.772 8.567 5.784 467 H VAL 56 HN VAL 56 -0.521 5.424 1.709 468 HA VAL 56 HA VAL 56 1.445 6.412 -0.160 469 HB VAL 56 HB VAL 56 -0.555 4.211 -0.698 470 1HG1 VAL 56 HG11 VAL 56 0.682 4.967 -2.621 471 2HG1 VAL 56 HG12 VAL 56 1.237 3.359 -2.155 472 3HG1 VAL 56 HG13 VAL 56 2.207 4.779 -1.757 473 1HG2 VAL 56 HG21 VAL 56 0.521 3.714 1.433 474 2HG2 VAL 56 HG22 VAL 56 2.107 3.950 0.699 475 3HG2 VAL 56 HG23 VAL 56 1.081 2.613 0.174 476 H CYS 57 HN CYS 57 -2.042 5.745 -0.311 477 HA CYS 57 HA CYS 57 -2.247 7.792 -2.413 478 1HB CYS 57 HB2 CYS 57 -4.030 5.385 -1.991 479 2HB CYS 57 HB1 CYS 57 -4.192 6.578 -3.275 480 HG CYS 57 HG CYS 57 -2.321 3.865 -3.162 481 H LYS 58 HN LYS 58 -2.679 9.529 -1.125 482 HA LYS 58 HA LYS 58 -4.737 9.425 0.886 483 1HB LYS 58 HB2 LYS 58 -4.232 12.103 0.463 484 2HB LYS 58 HB1 LYS 58 -3.432 11.082 1.647 485 1HG LYS 58 HG2 LYS 58 -1.752 10.555 -0.211 486 2HG LYS 58 HG1 LYS 58 -2.457 11.937 -1.054 487 1HD LYS 58 HD2 LYS 58 -1.879 13.409 0.756 488 2HD LYS 58 HD1 LYS 58 -1.338 12.052 1.745 489 1HE LYS 58 HE2 LYS 58 0.620 13.061 0.890 490 2HE LYS 58 HE1 LYS 58 0.376 11.589 -0.049 491 1HZ LYS 58 HZ1 LYS 58 -0.617 12.945 -1.813 492 2HZ LYS 58 HZ2 LYS 58 0.975 13.418 -1.478 493 3HZ LYS 58 HZ3 LYS 58 -0.318 14.349 -0.908 494 H ASN 59 HN ASN 59 -6.789 9.486 0.469 495 HA ASN 59 HA ASN 59 -8.771 9.649 -0.613 496 1HB ASN 59 HB2 ASN 59 -8.438 12.071 -0.579 497 2HB ASN 59 HB1 ASN 59 -7.451 11.979 -2.033 498 1HD2 ASN 59 HD21 ASN 59 -8.768 13.316 -3.213 499 2HD2 ASN 59 HD22 ASN 59 -10.340 12.840 -3.763 500 H ILE 60 HN ILE 60 -8.238 7.589 -1.469 501 HA ILE 60 HA ILE 60 -7.042 7.305 -4.039 502 HB ILE 60 HB ILE 60 -6.933 5.438 -2.534 503 1HG1 ILE 60 HG12 ILE 60 -8.802 4.807 -4.830 504 2HG1 ILE 60 HG11 ILE 60 -7.046 4.910 -4.930 505 1HG2 ILE 60 HG21 ILE 60 -8.919 4.187 -1.815 506 2HG2 ILE 60 HG22 ILE 60 -9.947 5.393 -2.592 507 3HG2 ILE 60 HG23 ILE 60 -8.932 5.849 -1.224 508 1HD1 ILE 60 HD11 ILE 60 -8.589 2.910 -3.292 509 2HD1 ILE 60 HD12 ILE 60 -6.836 2.994 -3.460 510 3HD1 ILE 60 HD13 ILE 60 -7.837 2.604 -4.858 511 H MET 61 HN MET 61 -7.908 7.737 -5.926 512 HA MET 61 HA MET 61 -9.357 7.921 -7.658 513 1HB MET 61 HB2 MET 61 -10.135 5.668 -6.826 514 2HB MET 61 HB1 MET 61 -11.390 6.509 -5.926 515 1HG MET 61 HG2 MET 61 -12.216 7.431 -8.078 516 2HG MET 61 HG1 MET 61 -11.046 6.408 -8.909 517 1HE MET 61 HE1 MET 61 -14.098 6.234 -9.631 518 2HE MET 61 HE2 MET 61 -14.344 4.489 -9.667 519 3HE MET 61 HE3 MET 61 -12.869 5.184 -10.338 520 H ASN 62 HN ASN 62 -11.712 8.059 -5.030 521 HA ASN 62 HA ASN 62 -11.818 10.818 -4.647 522 1HB ASN 62 HB2 ASN 62 -12.698 10.797 -7.016 523 2HB ASN 62 HB1 ASN 62 -14.058 9.838 -6.437 524 1HD2 ASN 62 HD21 ASN 62 -12.573 12.964 -6.491 525 2HD2 ASN 62 HD22 ASN 62 -13.913 13.835 -5.822 526 H THR 63 HN THR 63 -11.942 9.958 -2.546 527 HA THR 63 HA THR 63 -14.508 8.729 -1.823 528 HB THR 63 HB THR 63 -13.276 6.985 -0.503 529 HG1 THR 63 HG1 THR 63 -11.035 7.274 -2.128 530 1HG2 THR 63 HG21 THR 63 -12.679 5.592 -2.485 531 2HG2 THR 63 HG22 THR 63 -12.916 7.013 -3.495 532 3HG2 THR 63 HG23 THR 63 -14.273 6.335 -2.592 533 H GLY 64 HN GLY 64 -11.412 10.046 -0.733 534 1HA GLY 64 HA2 GLY 64 -11.120 11.467 1.141 535 2HA GLY 64 HA1 GLY 64 -12.686 10.940 1.750 536 H VAL 65 HN VAL 65 -11.003 8.317 0.595 537 HA VAL 65 HA VAL 65 -10.179 7.516 3.297 538 HB VAL 65 HB VAL 65 -10.545 5.897 0.760 539 1HG1 VAL 65 HG11 VAL 65 -9.696 4.973 3.503 540 2HG1 VAL 65 HG12 VAL 65 -8.712 4.958 2.040 541 3HG1 VAL 65 HG13 VAL 65 -10.130 3.917 2.159 542 1HG2 VAL 65 HG21 VAL 65 -12.633 6.561 1.810 543 2HG2 VAL 65 HG22 VAL 65 -12.073 5.914 3.353 544 3HG2 VAL 65 HG23 VAL 65 -12.361 4.829 1.994 545 H ASP 66 HN ASP 66 -8.121 7.304 3.842 546 HA ASP 66 HA ASP 66 -6.079 7.867 1.828 547 1HB ASP 66 HB2 ASP 66 -5.786 7.693 4.838 548 2HB ASP 66 HB1 ASP 66 -4.583 8.286 3.698 549 H ILE 67 HN ILE 67 -5.138 6.180 0.907 550 HA ILE 67 HA ILE 67 -5.323 3.555 2.109 551 HB ILE 67 HB ILE 67 -3.987 4.433 -0.459 552 1HG1 ILE 67 HG12 ILE 67 -6.408 4.735 -0.508 553 2HG1 ILE 67 HG11 ILE 67 -5.940 3.393 -1.545 554 1HG2 ILE 67 HG21 ILE 67 -2.974 2.397 0.413 555 2HG2 ILE 67 HG22 ILE 67 -3.919 2.061 -1.038 556 3HG2 ILE 67 HG23 ILE 67 -4.566 1.651 0.550 557 1HD1 ILE 67 HD11 ILE 67 -6.615 1.820 0.205 558 2HD1 ILE 67 HD12 ILE 67 -7.946 2.863 -0.298 559 3HD1 ILE 67 HD13 ILE 67 -7.105 3.176 1.220 560 H ILE 68 HN ILE 68 -4.055 3.322 3.806 561 HA ILE 68 HA ILE 68 -1.327 4.363 3.731 562 HB ILE 68 HB ILE 68 -1.286 3.730 6.161 563 1HG1 ILE 68 HG12 ILE 68 -4.248 3.301 5.721 564 2HG1 ILE 68 HG11 ILE 68 -3.077 2.035 6.072 565 1HG2 ILE 68 HG21 ILE 68 -1.712 6.013 5.440 566 2HG2 ILE 68 HG22 ILE 68 -2.640 5.621 6.886 567 3HG2 ILE 68 HG23 ILE 68 -3.436 5.663 5.311 568 1HD1 ILE 68 HD11 ILE 68 -2.624 3.082 8.242 569 2HD1 ILE 68 HD12 ILE 68 -4.315 2.618 8.055 570 3HD1 ILE 68 HD13 ILE 68 -3.843 4.309 7.885 571 H CYS 69 HN CYS 69 0.460 3.110 3.975 572 HA CYS 69 HA CYS 69 0.068 0.215 3.760 573 1HB CYS 69 HB2 CYS 69 1.516 1.170 2.057 574 2HB CYS 69 HB1 CYS 69 2.516 1.927 3.292 575 HG CYS 69 HG CYS 69 2.258 -1.399 2.578 576 H THR 70 HN THR 70 0.981 -1.180 5.239 577 HA THR 70 HA THR 70 1.785 0.112 7.760 578 HB THR 70 HB THR 70 -0.465 -0.974 7.797 579 HG1 THR 70 HG1 THR 70 0.593 -0.877 9.750 580 1HG2 THR 70 HG21 THR 70 -0.593 -3.442 7.782 581 2HG2 THR 70 HG22 THR 70 1.105 -3.509 7.309 582 3HG2 THR 70 HG23 THR 70 -0.085 -2.786 6.223 583 H LYS 71 HN LYS 71 3.141 -1.358 5.282 584 HA LYS 71 HA LYS 71 4.749 -3.251 6.832 585 1HB LYS 71 HB2 LYS 71 3.803 -3.902 4.582 586 2HB LYS 71 HB1 LYS 71 4.873 -2.708 3.860 587 1HG LYS 71 HG2 LYS 71 5.894 -4.850 3.652 588 2HG LYS 71 HG1 LYS 71 6.804 -3.934 4.857 589 1HD LYS 71 HD2 LYS 71 5.482 -5.093 6.631 590 2HD LYS 71 HD1 LYS 71 4.744 -6.081 5.371 591 1HE LYS 71 HE2 LYS 71 6.544 -7.316 6.374 592 2HE LYS 71 HE1 LYS 71 6.998 -6.874 4.730 593 1HZ LYS 71 HZ1 LYS 71 8.400 -5.151 5.556 594 2HZ LYS 71 HZ2 LYS 71 8.782 -6.563 6.410 595 3HZ LYS 71 HZ3 LYS 71 7.844 -5.358 7.142 596 H ASN 72 HN ASN 72 6.925 -2.951 7.177 597 HA ASN 72 HA ASN 72 7.950 -0.269 6.617 598 1HB ASN 72 HB2 ASN 72 9.026 -2.512 8.345 599 2HB ASN 72 HB1 ASN 72 9.849 -0.976 8.108 600 1HD2 ASN 72 HD21 ASN 72 6.380 -1.375 8.437 601 2HD2 ASN 72 HD22 ASN 72 6.234 -0.561 9.957 602 H LEU 73 HN LEU 73 8.942 -0.013 4.726 603 HA LEU 73 HA LEU 73 10.299 -2.332 3.536 604 1HB LEU 73 HB2 LEU 73 9.456 0.291 2.300 605 2HB LEU 73 HB1 LEU 73 10.329 -0.968 1.451 606 HG LEU 73 HG LEU 73 8.309 -2.473 2.068 607 1HD1 LEU 73 HD11 LEU 73 7.091 0.265 2.384 608 2HD1 LEU 73 HD12 LEU 73 7.227 -0.977 3.631 609 3HD1 LEU 73 HD13 LEU 73 6.187 -1.241 2.230 610 1HD2 LEU 73 HD21 LEU 73 8.867 -1.823 -0.193 611 2HD2 LEU 73 HD22 LEU 73 8.098 -0.253 0.042 612 3HD2 LEU 73 HD23 LEU 73 7.123 -1.723 0.050 613 HA PRO 74 HA PRO 74 14.117 -0.187 4.506 614 1HB PRO 74 HB2 PRO 74 15.615 -2.493 3.887 615 2HB PRO 74 HB1 PRO 74 15.088 -1.977 5.489 616 1HG PRO 74 HG2 PRO 74 14.220 -4.256 4.085 617 2HG PRO 74 HG1 PRO 74 13.512 -3.594 5.563 618 1HD PRO 74 HD2 PRO 74 12.602 -3.338 2.753 619 2HD PRO 74 HD1 PRO 74 11.661 -3.307 4.259 620 H LYS 75 HN LYS 75 15.998 0.428 3.302 621 HA LYS 75 HA LYS 75 15.637 0.201 0.399 622 1HB LYS 75 HB2 LYS 75 17.477 2.066 1.908 623 2HB LYS 75 HB1 LYS 75 17.050 2.152 0.204 624 1HG LYS 75 HG2 LYS 75 14.703 2.599 0.875 625 2HG LYS 75 HG1 LYS 75 15.241 2.657 2.554 626 1HD LYS 75 HD2 LYS 75 16.772 4.499 1.971 627 2HD LYS 75 HD1 LYS 75 16.164 4.456 0.315 628 1HE LYS 75 HE2 LYS 75 13.902 4.950 1.163 629 2HE LYS 75 HE1 LYS 75 14.560 5.064 2.796 630 1HZ LYS 75 HZ1 LYS 75 14.424 7.251 2.006 631 2HZ LYS 75 HZ2 LYS 75 15.063 6.853 0.488 632 3HZ LYS 75 HZ3 LYS 75 16.065 6.851 1.854 633 H ASP 76 HN ASP 76 18.258 0.322 2.733 634 HA ASP 76 HA ASP 76 19.431 -2.109 1.717 635 1HB ASP 76 HB2 ASP 76 20.587 0.544 1.123 636 2HB ASP 76 HB1 ASP 76 21.720 -0.626 1.790 637 H SER 77 HN SER 77 21.712 -2.284 2.992 638 HA SER 77 HA SER 77 20.956 -2.386 5.735 639 1HB SER 77 HB2 SER 77 22.474 -4.031 4.563 640 2HB SER 77 HB1 SER 77 23.726 -2.789 4.586 641 HG SER 77 HG SER 77 24.016 -3.087 6.668 642 H LEU 78 HN LEU 78 22.686 -0.105 3.769 643 HA LEU 78 HA LEU 78 23.089 1.578 6.133 644 1HB LEU 78 HB2 LEU 78 25.232 0.473 5.573 645 2HB LEU 78 HB1 LEU 78 25.148 1.164 3.963 646 HG LEU 78 HG LEU 78 25.219 3.440 5.005 647 1HD1 LEU 78 HD11 LEU 78 24.387 2.855 7.214 648 2HD1 LEU 78 HD12 LEU 78 25.976 3.612 7.329 649 3HD1 LEU 78 HD13 LEU 78 25.816 1.864 7.504 650 1HD2 LEU 78 HD21 LEU 78 27.533 1.613 5.629 651 2HD2 LEU 78 HD22 LEU 78 27.608 3.370 5.490 652 3HD2 LEU 78 HD23 LEU 78 27.217 2.388 4.078 653 H GLU 79 HN GLU 79 22.656 3.707 5.823 654 HA GLU 79 HA GLU 79 22.031 4.579 3.080 655 1HB GLU 79 HB2 GLU 79 20.402 6.176 4.356 656 2HB GLU 79 HB1 GLU 79 19.920 4.521 4.024 657 1HG GLU 79 HG2 GLU 79 19.329 5.232 6.290 658 2HG GLU 79 HG1 GLU 79 20.439 3.866 6.289 659 H HIS 80 HN HIS 80 24.265 4.877 5.319 660 HA HIS 80 HA HIS 80 24.297 7.780 5.570 661 1HB HIS 80 HB2 HIS 80 25.187 5.572 7.201 662 2HB HIS 80 HB1 HIS 80 26.499 6.717 6.940 663 HD1 HIS 80 HD1 HIS 80 22.896 6.704 8.158 664 HD2 HIS 80 HD2 HIS 80 26.409 8.899 8.551 665 HE1 HIS 80 HE1 HIS 80 22.436 8.417 9.943 666 HE2 HIS 80 HE2 HIS 80 24.635 9.605 10.294 667 H HIS 81 HN HIS 81 25.810 9.081 4.789 668 HA HIS 81 HA HIS 81 28.123 7.891 3.401 669 1HB HIS 81 HB2 HIS 81 26.432 10.243 2.516 670 2HB HIS 81 HB1 HIS 81 28.018 9.886 1.842 671 HD1 HIS 81 HD1 HIS 81 24.457 8.935 1.630 672 HD2 HIS 81 HD2 HIS 81 28.120 7.457 0.311 673 HE1 HIS 81 HE1 HIS 81 23.909 7.250 -0.151 674 HE2 HIS 81 HE2 HIS 81 26.134 6.400 -0.979 675 H HIS 82 HN HIS 82 30.058 8.712 3.981 676 HA HIS 82 HA HIS 82 30.212 10.296 6.328 677 1HB HIS 82 HB2 HIS 82 32.324 9.420 4.354 678 2HB HIS 82 HB1 HIS 82 32.695 10.355 5.799 679 HD1 HIS 82 HD1 HIS 82 33.739 8.807 7.410 680 HD2 HIS 82 HD2 HIS 82 30.509 7.058 5.459 681 HE1 HIS 82 HE1 HIS 82 33.483 6.522 8.430 682 HE2 HIS 82 HE2 HIS 82 31.692 5.404 7.052 683 H HIS 83 HN HIS 83 30.759 10.994 2.910 684 HA HIS 83 HA HIS 83 30.816 13.852 3.618 685 1HB HIS 83 HB2 HIS 83 32.848 12.966 2.436 686 2HB HIS 83 HB1 HIS 83 31.822 12.598 1.054 687 HD1 HIS 83 HD1 HIS 83 31.467 14.443 -0.596 688 HD2 HIS 83 HD2 HIS 83 32.980 15.819 3.025 689 HE1 HIS 83 HE1 HIS 83 31.974 16.881 -0.952 690 HE2 HIS 83 HE2 HIS 83 33.084 17.632 1.180 691 H HIS 84 HN HIS 84 28.730 14.402 3.586 692 HA HIS 84 HA HIS 84 26.915 13.319 1.627 693 1HB HIS 84 HB2 HIS 84 25.241 14.856 2.720 694 2HB HIS 84 HB1 HIS 84 25.981 13.672 3.788 695 HD1 HIS 84 HD1 HIS 84 26.938 14.545 5.893 696 HD2 HIS 84 HD2 HIS 84 26.441 17.541 3.053 697 HE1 HIS 84 HE1 HIS 84 27.478 16.698 7.075 698 HE2 HIS 84 HE2 HIS 84 26.958 18.502 5.398 699 H HIS 85 HN HIS 85 25.596 14.629 0.229 700 HA HIS 85 HA HIS 85 25.287 16.082 -1.471 701 1HB HIS 85 HB2 HIS 85 25.333 17.805 0.321 702 2HB HIS 85 HB1 HIS 85 27.068 17.979 0.077 703 HD1 HIS 85 HD1 HIS 85 23.875 18.309 -1.961 704 HD2 HIS 85 HD2 HIS 85 27.713 19.890 -1.740 705 HE1 HIS 85 HE1 HIS 85 23.944 20.162 -3.664 706 HE2 HIS 85 HE2 HIS 85 26.338 20.955 -3.657 Start of MODEL 11 1 1H MET 1 HT1 MET 1 -21.561 -7.315 7.165 2 2H MET 1 HT2 MET 1 -20.902 -5.948 6.407 3 3H MET 1 HT3 MET 1 -22.154 -6.809 5.656 4 HA MET 1 HA MET 1 -23.668 -6.208 7.426 5 1HB MET 1 HB2 MET 1 -21.854 -5.979 9.146 6 2HB MET 1 HB1 MET 1 -21.392 -4.460 8.393 7 1HG MET 1 HG2 MET 1 -23.651 -3.580 8.878 8 2HG MET 1 HG1 MET 1 -24.015 -5.081 9.729 9 1HE MET 1 HE1 MET 1 -24.636 -3.887 11.964 10 2HE MET 1 HE2 MET 1 -24.401 -2.323 11.182 11 3HE MET 1 HE3 MET 1 -23.642 -2.655 12.739 12 H HIS 2 HN HIS 2 -21.288 -3.686 6.591 13 HA HIS 2 HA HIS 2 -22.929 -2.753 4.400 14 1HB HIS 2 HB2 HIS 2 -22.726 -1.248 6.967 15 2HB HIS 2 HB1 HIS 2 -22.620 -0.323 5.472 16 HD1 HIS 2 HD1 HIS 2 -24.715 -0.821 3.753 17 HD2 HIS 2 HD2 HIS 2 -25.272 -1.666 7.791 18 HE1 HIS 2 HE1 HIS 2 -27.207 -0.960 4.087 19 HE2 HIS 2 HE2 HIS 2 -27.525 -1.505 6.527 20 H LYS 3 HN LYS 3 -20.387 -1.425 6.504 21 HA LYS 3 HA LYS 3 -18.624 -1.366 4.151 22 1HB LYS 3 HB2 LYS 3 -18.910 0.711 6.322 23 2HB LYS 3 HB1 LYS 3 -17.576 0.681 5.176 24 1HG LYS 3 HG2 LYS 3 -19.279 0.824 3.346 25 2HG LYS 3 HG1 LYS 3 -20.493 1.105 4.595 26 1HD LYS 3 HD2 LYS 3 -19.348 3.093 5.319 27 2HD LYS 3 HD1 LYS 3 -18.021 2.780 4.199 28 1HE LYS 3 HE2 LYS 3 -19.559 3.033 2.312 29 2HE LYS 3 HE1 LYS 3 -20.882 3.346 3.437 30 1HZ LYS 3 HZ1 LYS 3 -19.926 5.387 2.499 31 2HZ LYS 3 HZ2 LYS 3 -18.430 5.007 3.203 32 3HZ LYS 3 HZ3 LYS 3 -19.775 5.324 4.189 33 H ASP 4 HN ASP 4 -16.515 -1.945 4.457 34 HA ASP 4 HA ASP 4 -15.676 -2.738 7.155 35 1HB ASP 4 HB2 ASP 4 -16.758 -4.684 5.873 36 2HB ASP 4 HB1 ASP 4 -15.355 -4.617 4.813 37 H ILE 5 HN ILE 5 -13.368 -2.956 7.355 38 HA ILE 5 HA ILE 5 -11.894 -1.080 5.856 39 HB ILE 5 HB ILE 5 -10.950 -3.248 7.736 40 1HG1 ILE 5 HG12 ILE 5 -12.344 -1.503 8.767 41 2HG1 ILE 5 HG11 ILE 5 -10.680 -1.413 9.333 42 1HG2 ILE 5 HG21 ILE 5 -9.144 -2.684 6.220 43 2HG2 ILE 5 HG22 ILE 5 -8.816 -2.026 7.824 44 3HG2 ILE 5 HG23 ILE 5 -9.388 -0.966 6.536 45 1HD1 ILE 5 HD11 ILE 5 -11.952 0.360 7.260 46 2HD1 ILE 5 HD12 ILE 5 -10.268 0.438 7.779 47 3HD1 ILE 5 HD13 ILE 5 -11.564 0.794 8.925 48 H PHE 6 HN PHE 6 -11.289 -1.317 3.823 49 HA PHE 6 HA PHE 6 -10.902 -3.908 2.631 50 1HB PHE 6 HB2 PHE 6 -11.898 -2.095 1.321 51 2HB PHE 6 HB1 PHE 6 -10.438 -1.134 1.514 52 HD1 PHE 6 HD1 PHE 6 -11.440 -4.519 0.291 53 HD2 PHE 6 HD2 PHE 6 -8.963 -1.098 -0.241 54 HE1 PHE 6 HE1 PHE 6 -10.526 -5.505 -1.771 55 HE2 PHE 6 HE2 PHE 6 -8.046 -2.077 -2.303 56 HZ PHE 6 HZ PHE 6 -8.827 -4.284 -3.070 57 H THR 7 HN THR 7 -9.010 -4.864 2.052 58 HA THR 7 HA THR 7 -6.484 -3.472 2.361 59 HB THR 7 HB THR 7 -7.088 -5.981 3.952 60 HG1 THR 7 HG1 THR 7 -7.556 -3.442 4.535 61 1HG2 THR 7 HG21 THR 7 -4.585 -4.291 3.830 62 2HG2 THR 7 HG22 THR 7 -4.774 -5.907 3.149 63 3HG2 THR 7 HG23 THR 7 -4.847 -5.671 4.895 64 H SER 8 HN SER 8 -5.025 -4.185 0.904 65 HA SER 8 HA SER 8 -5.243 -6.840 -0.257 66 1HB SER 8 HB2 SER 8 -6.766 -5.318 -1.603 67 2HB SER 8 HB1 SER 8 -5.328 -4.395 -2.044 68 HG SER 8 HG SER 8 -6.233 -6.804 -2.999 69 H VAL 9 HN VAL 9 -3.447 -6.661 -2.273 70 HA VAL 9 HA VAL 9 -1.090 -5.357 -1.084 71 HB VAL 9 HB VAL 9 0.302 -7.241 -1.967 72 1HG1 VAL 9 HG11 VAL 9 -1.777 -7.993 0.085 73 2HG1 VAL 9 HG12 VAL 9 -0.278 -7.117 0.392 74 3HG1 VAL 9 HG13 VAL 9 -0.223 -8.794 -0.149 75 1HG2 VAL 9 HG21 VAL 9 -0.799 -9.381 -2.464 76 2HG2 VAL 9 HG22 VAL 9 -1.245 -8.127 -3.623 77 3HG2 VAL 9 HG23 VAL 9 -2.372 -8.589 -2.347 78 H VAL 10 HN VAL 10 0.227 -4.276 -2.463 79 HA VAL 10 HA VAL 10 -0.501 -4.362 -5.318 80 HB VAL 10 HB VAL 10 -1.161 -2.230 -4.231 81 1HG1 VAL 10 HG11 VAL 10 0.576 -2.107 -2.532 82 2HG1 VAL 10 HG12 VAL 10 0.545 -0.639 -3.512 83 3HG1 VAL 10 HG13 VAL 10 1.795 -1.857 -3.782 84 1HG2 VAL 10 HG21 VAL 10 1.054 -1.999 -6.260 85 2HG2 VAL 10 HG22 VAL 10 -0.104 -0.732 -5.863 86 3HG2 VAL 10 HG23 VAL 10 -0.662 -2.236 -6.595 87 H ARG 11 HN ARG 11 1.209 -4.120 -6.821 88 HA ARG 11 HA ARG 11 3.656 -5.324 -5.875 89 1HB ARG 11 HB2 ARG 11 2.807 -4.554 -8.673 90 2HB ARG 11 HB1 ARG 11 4.244 -5.482 -8.261 91 1HG ARG 11 HG2 ARG 11 2.792 -7.212 -7.259 92 2HG ARG 11 HG1 ARG 11 1.385 -6.300 -7.807 93 1HD ARG 11 HD2 ARG 11 2.135 -6.544 -10.123 94 2HD ARG 11 HD1 ARG 11 3.542 -7.457 -9.573 95 HE ARG 11 HE ARG 11 0.760 -8.370 -9.166 96 1HH1 ARG 11 HH11 ARG 11 4.083 -8.961 -10.083 97 2HH1 ARG 11 HH12 ARG 11 3.880 -10.677 -10.232 98 1HH2 ARG 11 HH21 ARG 11 0.485 -10.628 -9.352 99 2HH2 ARG 11 HH22 ARG 11 1.829 -11.630 -9.798 100 H VAL 12 HN VAL 12 5.302 -4.214 -5.214 101 HA VAL 12 HA VAL 12 5.497 -1.371 -5.778 102 HB VAL 12 HB VAL 12 7.300 -3.053 -4.027 103 1HG1 VAL 12 HG11 VAL 12 7.796 -0.923 -2.933 104 2HG1 VAL 12 HG12 VAL 12 6.761 -0.090 -4.093 105 3HG1 VAL 12 HG13 VAL 12 8.232 -0.893 -4.641 106 1HG2 VAL 12 HG21 VAL 12 4.818 -1.523 -3.270 107 2HG2 VAL 12 HG22 VAL 12 5.939 -2.285 -2.142 108 3HG2 VAL 12 HG23 VAL 12 5.007 -3.276 -3.263 109 H ARG 13 HN ARG 13 7.077 -0.447 -6.962 110 HA ARG 13 HA ARG 13 8.714 -2.251 -8.576 111 1HB ARG 13 HB2 ARG 13 7.262 -0.758 -9.811 112 2HB ARG 13 HB1 ARG 13 7.891 0.633 -8.944 113 1HG ARG 13 HG2 ARG 13 9.957 0.521 -10.060 114 2HG ARG 13 HG1 ARG 13 9.619 -1.096 -10.681 115 1HD ARG 13 HD2 ARG 13 9.378 0.738 -12.357 116 2HD ARG 13 HD1 ARG 13 7.950 -0.270 -12.156 117 HE ARG 13 HE ARG 13 6.838 1.523 -11.149 118 1HH1 ARG 13 HH11 ARG 13 10.150 2.372 -11.869 119 2HH1 ARG 13 HH12 ARG 13 9.852 4.084 -11.882 120 1HH2 ARG 13 HH21 ARG 13 6.424 3.779 -11.175 121 2HH2 ARG 13 HH22 ARG 13 7.732 4.886 -11.489 122 H GLY 14 HN GLY 14 10.953 -1.905 -8.854 123 1HA GLY 14 HA2 GLY 14 12.825 -0.299 -8.449 124 2HA GLY 14 HA1 GLY 14 12.169 -0.120 -6.828 125 H SER 15 HN SER 15 14.757 -0.765 -7.030 126 HA SER 15 HA SER 15 15.070 -3.653 -6.890 127 1HB SER 15 HB2 SER 15 17.543 -2.705 -6.422 128 2HB SER 15 HB1 SER 15 16.871 -2.855 -8.048 129 HG SER 15 HG SER 15 17.600 -0.624 -6.700 130 H LYS 16 HN LYS 16 13.627 -2.108 -4.812 131 HA LYS 16 HA LYS 16 15.181 -2.157 -2.428 132 1HB LYS 16 HB2 LYS 16 13.138 -1.704 -1.259 133 2HB LYS 16 HB1 LYS 16 13.128 -0.766 -2.740 134 1HG LYS 16 HG2 LYS 16 11.468 -3.160 -2.018 135 2HG LYS 16 HG1 LYS 16 10.945 -1.552 -2.517 136 1HD LYS 16 HD2 LYS 16 11.959 -2.031 -4.765 137 2HD LYS 16 HD1 LYS 16 12.212 -3.688 -4.223 138 1HE LYS 16 HE2 LYS 16 9.726 -3.779 -3.776 139 2HE LYS 16 HE1 LYS 16 9.608 -2.256 -4.661 140 1HZ LYS 16 HZ1 LYS 16 9.218 -3.951 -6.233 141 2HZ LYS 16 HZ2 LYS 16 10.517 -4.887 -5.679 142 3HZ LYS 16 HZ3 LYS 16 10.815 -3.450 -6.519 143 H LYS 17 HN LYS 17 14.203 -3.564 -0.498 144 HA LYS 17 HA LYS 17 14.877 -6.248 -1.362 145 1HB LYS 17 HB2 LYS 17 14.582 -5.010 1.372 146 2HB LYS 17 HB1 LYS 17 14.980 -6.706 1.109 147 1HG LYS 17 HG2 LYS 17 16.977 -6.003 -0.161 148 2HG LYS 17 HG1 LYS 17 16.595 -4.324 0.224 149 1HD LYS 17 HD2 LYS 17 16.859 -4.764 2.580 150 2HD LYS 17 HD1 LYS 17 17.104 -6.484 2.265 151 1HE LYS 17 HE2 LYS 17 19.231 -5.384 2.669 152 2HE LYS 17 HE1 LYS 17 19.139 -5.949 1.002 153 1HZ LYS 17 HZ1 LYS 17 20.068 -3.717 1.166 154 2HZ LYS 17 HZ2 LYS 17 18.649 -3.158 1.903 155 3HZ LYS 17 HZ3 LYS 17 18.613 -3.705 0.295 156 H TYR 18 HN TYR 18 12.179 -5.113 -1.889 157 HA TYR 18 HA TYR 18 10.753 -7.498 -1.054 158 1HB TYR 18 HB2 TYR 18 10.049 -4.774 -0.164 159 2HB TYR 18 HB1 TYR 18 8.710 -5.729 -0.794 160 HD1 TYR 18 HD1 TYR 18 9.008 -8.358 0.122 161 HD2 TYR 18 HD2 TYR 18 10.125 -4.783 2.135 162 HE1 TYR 18 HE1 TYR 18 8.795 -9.516 2.281 163 HE2 TYR 18 HE2 TYR 18 9.925 -5.933 4.298 164 HH TYR 18 HH TYR 18 9.677 -9.284 4.606 165 H ASN 19 HN ASN 19 8.408 -7.310 -2.128 166 HA ASN 19 HA ASN 19 8.768 -6.263 -4.843 167 1HB ASN 19 HB2 ASN 19 7.720 -8.290 -5.769 168 2HB ASN 19 HB1 ASN 19 9.235 -8.643 -4.950 169 1HD2 ASN 19 HD21 ASN 19 6.899 -10.313 -5.593 170 2HD2 ASN 19 HD22 ASN 19 6.411 -11.021 -4.084 171 H VAL 20 HN VAL 20 6.557 -7.195 -2.287 172 HA VAL 20 HA VAL 20 4.536 -5.462 -3.517 173 HB VAL 20 HB VAL 20 2.748 -7.011 -2.737 174 1HG1 VAL 20 HG11 VAL 20 4.689 -8.183 -4.725 175 2HG1 VAL 20 HG12 VAL 20 3.426 -7.004 -5.071 176 3HG1 VAL 20 HG13 VAL 20 2.992 -8.633 -4.557 177 1HG2 VAL 20 HG21 VAL 20 5.046 -8.910 -2.277 178 2HG2 VAL 20 HG22 VAL 20 3.336 -9.342 -2.234 179 3HG2 VAL 20 HG23 VAL 20 3.993 -8.221 -1.041 180 H VAL 21 HN VAL 21 3.214 -4.334 -2.090 181 HA VAL 21 HA VAL 21 3.766 -4.721 0.779 182 HB VAL 21 HB VAL 21 4.807 -2.625 -0.029 183 1HG1 VAL 21 HG11 VAL 21 1.988 -1.758 -0.655 184 2HG1 VAL 21 HG12 VAL 21 3.267 -2.065 -1.829 185 3HG1 VAL 21 HG13 VAL 21 3.418 -0.726 -0.690 186 1HG2 VAL 21 HG21 VAL 21 3.828 -1.133 1.674 187 2HG2 VAL 21 HG22 VAL 21 4.112 -2.766 2.277 188 3HG2 VAL 21 HG23 VAL 21 2.479 -2.255 1.848 189 HA PRO 22 HA PRO 22 -0.692 -5.135 1.013 190 1HB PRO 22 HB2 PRO 22 -0.876 -5.199 3.721 191 2HB PRO 22 HB1 PRO 22 -0.356 -6.588 2.762 192 1HG PRO 22 HG2 PRO 22 1.287 -4.612 4.287 193 2HG PRO 22 HG1 PRO 22 1.483 -6.368 4.158 194 1HD PRO 22 HD2 PRO 22 2.978 -4.595 2.739 195 2HD PRO 22 HD1 PRO 22 2.583 -6.222 2.147 196 H VAL 23 HN VAL 23 -1.975 -3.481 0.662 197 HA VAL 23 HA VAL 23 -1.588 -0.990 2.172 198 HB VAL 23 HB VAL 23 -2.864 0.119 0.362 199 1HG1 VAL 23 HG11 VAL 23 -0.461 -1.436 -0.590 200 2HG1 VAL 23 HG12 VAL 23 -0.429 0.096 0.289 201 3HG1 VAL 23 HG13 VAL 23 -1.107 0.025 -1.337 202 1HG2 VAL 23 HG21 VAL 23 -3.257 -1.072 -1.749 203 2HG2 VAL 23 HG22 VAL 23 -4.178 -1.772 -0.418 204 3HG2 VAL 23 HG23 VAL 23 -2.716 -2.573 -0.996 205 H LYS 24 HN LYS 24 -3.285 -0.096 3.279 206 HA LYS 24 HA LYS 24 -5.813 -1.590 3.235 207 1HB LYS 24 HB2 LYS 24 -5.976 -1.128 5.722 208 2HB LYS 24 HB1 LYS 24 -4.800 -2.338 5.239 209 1HG LYS 24 HG2 LYS 24 -3.030 -1.096 5.911 210 2HG LYS 24 HG1 LYS 24 -3.808 0.433 5.503 211 1HD LYS 24 HD2 LYS 24 -3.461 0.124 7.936 212 2HD LYS 24 HD1 LYS 24 -5.156 0.341 7.494 213 1HE LYS 24 HE2 LYS 24 -5.080 -1.399 9.100 214 2HE LYS 24 HE1 LYS 24 -5.384 -2.161 7.542 215 1HZ LYS 24 HZ1 LYS 24 -3.773 -3.461 8.621 216 2HZ LYS 24 HZ2 LYS 24 -2.854 -2.113 9.086 217 3HZ LYS 24 HZ3 LYS 24 -2.920 -2.574 7.457 218 H SER 25 HN SER 25 -7.597 -0.341 4.286 219 HA SER 25 HA SER 25 -7.356 2.523 3.662 220 1HB SER 25 HB2 SER 25 -9.892 0.908 3.983 221 2HB SER 25 HB1 SER 25 -9.729 2.522 3.287 222 HG SER 25 HG SER 25 -8.152 0.680 2.042 223 H ASN 26 HN ASN 26 -7.666 3.984 5.292 224 HA ASN 26 HA ASN 26 -7.569 2.792 7.934 225 1HB ASN 26 HB2 ASN 26 -6.861 4.887 8.770 226 2HB ASN 26 HB1 ASN 26 -6.077 4.707 7.207 227 1HD2 ASN 26 HD21 ASN 26 -6.720 6.030 5.491 228 2HD2 ASN 26 HD22 ASN 26 -7.624 7.487 5.763 229 H LYS 27 HN LYS 27 -9.956 3.900 5.922 230 HA LYS 27 HA LYS 27 -11.841 3.968 8.166 231 1HB LYS 27 HB2 LYS 27 -11.613 5.900 5.877 232 2HB LYS 27 HB1 LYS 27 -13.175 5.609 6.633 233 1HG LYS 27 HG2 LYS 27 -12.514 6.522 8.658 234 2HG LYS 27 HG1 LYS 27 -10.800 6.294 8.317 235 1HD LYS 27 HD2 LYS 27 -12.576 8.251 6.864 236 2HD LYS 27 HD1 LYS 27 -11.549 8.669 8.238 237 1HE LYS 27 HE2 LYS 27 -9.641 7.650 6.852 238 2HE LYS 27 HE1 LYS 27 -10.751 7.775 5.492 239 1HZ LYS 27 HZ1 LYS 27 -9.832 10.025 7.198 240 2HZ LYS 27 HZ2 LYS 27 -10.919 10.157 5.902 241 3HZ LYS 27 HZ3 LYS 27 -9.307 9.694 5.616 242 HA PRO 28 HA PRO 28 -13.800 0.588 6.299 243 1HB PRO 28 HB2 PRO 28 -16.396 1.955 6.811 244 2HB PRO 28 HB1 PRO 28 -15.845 0.351 7.312 245 1HG PRO 28 HG2 PRO 28 -15.943 2.334 9.070 246 2HG PRO 28 HG1 PRO 28 -14.587 1.192 9.076 247 1HD PRO 28 HD2 PRO 28 -14.699 3.988 8.028 248 2HD PRO 28 HD1 PRO 28 -13.395 3.167 8.911 249 H VAL 29 HN VAL 29 -14.394 -0.097 4.373 250 HA VAL 29 HA VAL 29 -15.096 1.914 2.347 251 HB VAL 29 HB VAL 29 -13.906 -0.830 1.939 252 1HG1 VAL 29 HG11 VAL 29 -13.298 0.061 -0.284 253 2HG1 VAL 29 HG12 VAL 29 -14.211 1.524 0.087 254 3HG1 VAL 29 HG13 VAL 29 -15.040 -0.029 -0.023 255 1HG2 VAL 29 HG21 VAL 29 -12.518 1.843 2.069 256 2HG2 VAL 29 HG22 VAL 29 -11.765 0.323 1.585 257 3HG2 VAL 29 HG23 VAL 29 -12.373 0.523 3.233 258 H GLU 30 HN GLU 30 -16.814 1.578 0.977 259 HA GLU 30 HA GLU 30 -18.927 -0.110 1.845 260 1HB GLU 30 HB2 GLU 30 -18.802 2.142 0.344 261 2HB GLU 30 HB1 GLU 30 -18.968 0.942 -0.928 262 1HG GLU 30 HG2 GLU 30 -20.842 1.183 1.409 263 2HG GLU 30 HG1 GLU 30 -21.102 1.953 -0.154 264 H ILE 31 HN ILE 31 -19.716 -2.019 0.927 265 HA ILE 31 HA ILE 31 -17.551 -3.689 0.063 266 HB ILE 31 HB ILE 31 -19.218 -5.534 0.212 267 1HG1 ILE 31 HG12 ILE 31 -21.044 -3.314 1.165 268 2HG1 ILE 31 HG11 ILE 31 -21.241 -4.247 -0.314 269 1HG2 ILE 31 HG21 ILE 31 -17.788 -4.934 2.083 270 2HG2 ILE 31 HG22 ILE 31 -19.377 -5.442 2.654 271 3HG2 ILE 31 HG23 ILE 31 -18.962 -3.729 2.613 272 1HD1 ILE 31 HD11 ILE 31 -21.371 -5.339 2.488 273 2HD1 ILE 31 HD12 ILE 31 -21.579 -6.270 1.004 274 3HD1 ILE 31 HD13 ILE 31 -22.747 -5.018 1.431 275 H SER 32 HN SER 32 -19.198 -1.704 -1.817 276 HA SER 32 HA SER 32 -18.900 -3.574 -4.068 277 1HB SER 32 HB2 SER 32 -20.703 -2.425 -5.266 278 2HB SER 32 HB1 SER 32 -21.293 -3.068 -3.736 279 HG SER 32 HG SER 32 -21.254 -1.018 -2.862 280 H LYS 33 HN LYS 33 -17.656 -0.954 -2.554 281 HA LYS 33 HA LYS 33 -17.032 0.528 -5.007 282 1HB LYS 33 HB2 LYS 33 -17.970 1.767 -3.064 283 2HB LYS 33 HB1 LYS 33 -16.558 1.310 -2.125 284 1HG LYS 33 HG2 LYS 33 -16.362 3.586 -2.932 285 2HG LYS 33 HG1 LYS 33 -15.125 2.559 -3.660 286 1HD LYS 33 HD2 LYS 33 -16.534 2.350 -5.679 287 2HD LYS 33 HD1 LYS 33 -17.700 3.460 -4.954 288 1HE LYS 33 HE2 LYS 33 -15.967 5.195 -4.855 289 2HE LYS 33 HE1 LYS 33 -14.819 4.083 -5.597 290 1HZ LYS 33 HZ1 LYS 33 -16.160 4.035 -7.590 291 2HZ LYS 33 HZ2 LYS 33 -15.800 5.644 -7.193 292 3HZ LYS 33 HZ3 LYS 33 -17.337 5.026 -6.869 293 H TRP 34 HN TRP 34 -15.675 -1.705 -2.825 294 HA TRP 34 HA TRP 34 -12.952 -0.976 -2.969 295 1HB TRP 34 HB2 TRP 34 -12.470 -3.271 -2.244 296 2HB TRP 34 HB1 TRP 34 -13.771 -2.564 -1.292 297 HD1 TRP 34 HD1 TRP 34 -16.224 -3.583 -1.619 298 HE1 TRP 34 HE1 TRP 34 -17.038 -5.836 -2.557 299 HE3 TRP 34 HE3 TRP 34 -11.947 -5.057 -4.003 300 HZ2 TRP 34 HZ2 TRP 34 -15.999 -7.961 -4.097 301 HZ3 TRP 34 HZ3 TRP 34 -11.941 -7.215 -5.186 302 HH2 TRP 34 HH2 TRP 34 -13.928 -8.636 -5.230 303 H ILE 35 HN ILE 35 -15.076 -2.433 -5.223 304 HA ILE 35 HA ILE 35 -13.254 -3.781 -6.888 305 HB ILE 35 HB ILE 35 -15.818 -2.376 -7.664 306 1HG1 ILE 35 HG12 ILE 35 -15.340 -5.270 -6.915 307 2HG1 ILE 35 HG11 ILE 35 -16.081 -4.069 -5.863 308 1HG2 ILE 35 HG21 ILE 35 -15.839 -3.909 -9.574 309 2HG2 ILE 35 HG22 ILE 35 -14.279 -4.557 -9.070 310 3HG2 ILE 35 HG23 ILE 35 -14.408 -2.876 -9.593 311 1HD1 ILE 35 HD11 ILE 35 -17.178 -5.060 -8.484 312 2HD1 ILE 35 HD12 ILE 35 -17.914 -3.816 -7.473 313 3HD1 ILE 35 HD13 ILE 35 -17.768 -5.468 -6.873 314 H ASP 36 HN ASP 36 -14.463 -0.454 -6.899 315 HA ASP 36 HA ASP 36 -13.055 0.525 -9.103 316 1HB ASP 36 HB2 ASP 36 -13.753 1.975 -6.532 317 2HB ASP 36 HB1 ASP 36 -13.304 2.749 -8.046 318 H PHE 37 HN PHE 37 -12.182 0.418 -5.680 319 HA PHE 37 HA PHE 37 -9.754 1.795 -5.931 320 1HB PHE 37 HB2 PHE 37 -10.648 -0.146 -3.799 321 2HB PHE 37 HB1 PHE 37 -9.256 0.927 -3.669 322 HD1 PHE 37 HD1 PHE 37 -10.182 3.430 -4.713 323 HD2 PHE 37 HD2 PHE 37 -12.258 0.591 -2.327 324 HE1 PHE 37 HE1 PHE 37 -11.629 5.218 -3.849 325 HE2 PHE 37 HE2 PHE 37 -13.713 2.377 -1.466 326 HZ PHE 37 HZ PHE 37 -13.401 4.694 -2.228 327 H SER 38 HN SER 38 -10.439 -1.694 -5.935 328 HA SER 38 HA SER 38 -7.746 -2.516 -5.930 329 1HB SER 38 HB2 SER 38 -8.718 -4.660 -6.960 330 2HB SER 38 HB1 SER 38 -9.323 -4.175 -5.377 331 HG SER 38 HG SER 38 -11.207 -3.588 -6.250 332 H ASN 39 HN ASN 39 -9.932 -1.658 -8.560 333 HA ASN 39 HA ASN 39 -8.190 -2.401 -10.668 334 1HB ASN 39 HB2 ASN 39 -10.584 -0.610 -10.470 335 2HB ASN 39 HB1 ASN 39 -9.600 -0.579 -11.930 336 1HD2 ASN 39 HD21 ASN 39 -11.721 -2.491 -9.941 337 2HD2 ASN 39 HD22 ASN 39 -12.017 -3.732 -11.112 338 H VAL 40 HN VAL 40 -8.583 0.556 -8.798 339 HA VAL 40 HA VAL 40 -6.731 2.107 -10.291 340 HB VAL 40 HB VAL 40 -7.583 2.409 -7.402 341 1HG1 VAL 40 HG11 VAL 40 -6.810 4.729 -7.627 342 2HG1 VAL 40 HG12 VAL 40 -6.201 4.363 -9.242 343 3HG1 VAL 40 HG13 VAL 40 -5.491 3.578 -7.831 344 1HG2 VAL 40 HG21 VAL 40 -9.101 4.128 -8.272 345 2HG2 VAL 40 HG22 VAL 40 -9.457 2.538 -8.944 346 3HG2 VAL 40 HG23 VAL 40 -8.597 3.732 -9.915 347 H LEU 41 HN LEU 41 -6.455 0.098 -7.384 348 HA LEU 41 HA LEU 41 -3.759 0.623 -6.801 349 1HB LEU 41 HB2 LEU 41 -5.384 -1.863 -6.258 350 2HB LEU 41 HB1 LEU 41 -3.823 -1.513 -5.542 351 HG LEU 41 HG LEU 41 -6.333 0.115 -5.140 352 1HD1 LEU 41 HD11 LEU 41 -6.265 -0.762 -2.855 353 2HD1 LEU 41 HD12 LEU 41 -4.893 -1.781 -3.289 354 3HD1 LEU 41 HD13 LEU 41 -6.465 -2.052 -4.041 355 1HD2 LEU 41 HD21 LEU 41 -3.601 0.356 -3.886 356 2HD2 LEU 41 HD22 LEU 41 -5.030 1.279 -3.421 357 3HD2 LEU 41 HD23 LEU 41 -4.326 1.488 -5.027 358 H SER 42 HN SER 42 -5.213 -1.381 -9.210 359 HA SER 42 HA SER 42 -3.027 -3.086 -9.748 360 1HB SER 42 HB2 SER 42 -5.193 -2.111 -11.626 361 2HB SER 42 HB1 SER 42 -4.134 -3.493 -11.905 362 HG SER 42 HG SER 42 -5.845 -3.278 -9.643 363 H ARG 43 HN ARG 43 -3.517 0.250 -10.332 364 HA ARG 43 HA ARG 43 -1.391 0.335 -12.367 365 1HB ARG 43 HB2 ARG 43 -3.350 2.451 -11.455 366 2HB ARG 43 HB1 ARG 43 -2.098 2.703 -12.660 367 1HG ARG 43 HG2 ARG 43 -4.312 0.690 -12.929 368 2HG ARG 43 HG1 ARG 43 -4.362 2.322 -13.593 369 1HD ARG 43 HD2 ARG 43 -2.135 1.675 -14.734 370 2HD ARG 43 HD1 ARG 43 -2.615 0.015 -14.374 371 HE ARG 43 HE ARG 43 -4.521 1.729 -15.771 372 1HH1 ARG 43 HH11 ARG 43 -2.191 -0.886 -15.950 373 2HH1 ARG 43 HH12 ARG 43 -2.827 -1.512 -17.443 374 1HH2 ARG 43 HH21 ARG 43 -5.313 0.966 -17.736 375 2HH2 ARG 43 HH22 ARG 43 -4.603 -0.440 -18.476 376 H LEU 44 HN LEU 44 -1.624 0.388 -9.113 377 HA LEU 44 HA LEU 44 -0.202 2.853 -8.584 378 1HB LEU 44 HB2 LEU 44 -2.060 1.956 -7.143 379 2HB LEU 44 HB1 LEU 44 -0.966 0.686 -6.634 380 HG LEU 44 HG LEU 44 0.563 2.425 -5.723 381 1HD1 LEU 44 HD11 LEU 44 -0.277 4.697 -5.439 382 2HD1 LEU 44 HD12 LEU 44 -1.719 4.285 -6.367 383 3HD1 LEU 44 HD13 LEU 44 -0.137 4.279 -7.146 384 1HD2 LEU 44 HD21 LEU 44 -1.013 1.270 -4.273 385 2HD2 LEU 44 HD22 LEU 44 -2.256 2.461 -4.659 386 3HD2 LEU 44 HD23 LEU 44 -0.814 2.950 -3.769 387 H TYR 45 HN TYR 45 1.431 1.497 -10.145 388 HA TYR 45 HA TYR 45 3.300 -0.096 -8.651 389 1HB TYR 45 HB2 TYR 45 3.167 0.946 -11.446 390 2HB TYR 45 HB1 TYR 45 4.725 0.427 -10.814 391 HD1 TYR 45 HD2 TYR 45 1.220 -0.746 -11.318 392 HD2 TYR 45 HD1 TYR 45 5.311 -1.824 -10.833 393 HE1 TYR 45 HE2 TYR 45 0.658 -3.086 -11.833 394 HE2 TYR 45 HE1 TYR 45 4.757 -4.165 -11.342 395 HH TYR 45 HH TYR 45 1.728 -5.109 -12.635 396 H VAL 46 HN VAL 46 3.566 1.470 -6.931 397 HA VAL 46 HA VAL 46 5.174 3.813 -7.527 398 HB VAL 46 HB VAL 46 5.171 4.169 -5.066 399 1HG1 VAL 46 HG11 VAL 46 2.465 3.704 -6.310 400 2HG1 VAL 46 HG12 VAL 46 3.438 5.172 -6.433 401 3HG1 VAL 46 HG13 VAL 46 2.776 4.680 -4.873 402 1HG2 VAL 46 HG21 VAL 46 3.707 2.781 -3.657 403 2HG2 VAL 46 HG22 VAL 46 5.056 1.858 -4.320 404 3HG2 VAL 46 HG23 VAL 46 3.446 1.692 -5.022 405 H GLY 47 HN GLY 47 7.313 4.123 -6.753 406 1HA GLY 47 HA2 GLY 47 8.718 1.567 -6.293 407 2HA GLY 47 HA1 GLY 47 9.365 2.863 -7.282 408 H VAL 48 HN VAL 48 7.866 2.816 -4.102 409 HA VAL 48 HA VAL 48 10.325 3.974 -2.988 410 HB VAL 48 HB VAL 48 7.522 4.912 -2.336 411 1HG1 VAL 48 HG11 VAL 48 9.005 5.015 -0.413 412 2HG1 VAL 48 HG12 VAL 48 8.638 6.636 -1.001 413 3HG1 VAL 48 HG13 VAL 48 10.199 5.900 -1.361 414 1HG2 VAL 48 HG21 VAL 48 8.208 5.696 -4.532 415 2HG2 VAL 48 HG22 VAL 48 9.721 6.304 -3.861 416 3HG2 VAL 48 HG23 VAL 48 8.188 7.032 -3.381 417 HA PRO 49 HA PRO 49 9.557 0.613 -0.024 418 1HB PRO 49 HB2 PRO 49 12.020 1.774 1.121 419 2HB PRO 49 HB1 PRO 49 11.674 0.104 0.663 420 1HG PRO 49 HG2 PRO 49 13.328 1.652 -0.776 421 2HG PRO 49 HG1 PRO 49 12.278 0.444 -1.537 422 1HD PRO 49 HD2 PRO 49 11.963 3.408 -1.390 423 2HD PRO 49 HD1 PRO 49 11.578 2.299 -2.721 424 H THR 50 HN THR 50 7.875 1.334 1.182 425 HA THR 50 HA THR 50 8.133 3.830 2.658 426 HB THR 50 HB THR 50 5.673 3.458 3.099 427 HG1 THR 50 HG1 THR 50 5.845 1.134 2.560 428 1HG2 THR 50 HG21 THR 50 6.465 4.982 1.360 429 2HG2 THR 50 HG22 THR 50 5.009 4.139 0.829 430 3HG2 THR 50 HG23 THR 50 6.589 3.641 0.223 431 H LYS 51 HN LYS 51 6.929 3.867 4.800 432 HA LYS 51 HA LYS 51 7.837 1.652 6.495 433 1HB LYS 51 HB2 LYS 51 6.763 4.385 7.216 434 2HB LYS 51 HB1 LYS 51 7.413 3.208 8.348 435 1HG LYS 51 HG2 LYS 51 8.967 4.538 6.136 436 2HG LYS 51 HG1 LYS 51 9.012 4.995 7.838 437 1HD LYS 51 HD2 LYS 51 9.829 2.712 8.373 438 2HD LYS 51 HD1 LYS 51 9.888 2.367 6.643 439 1HE LYS 51 HE2 LYS 51 11.517 4.124 6.313 440 2HE LYS 51 HE1 LYS 51 11.404 4.589 8.008 441 1HZ LYS 51 HZ1 LYS 51 12.202 2.311 8.558 442 2HZ LYS 51 HZ2 LYS 51 13.338 3.271 7.748 443 3HZ LYS 51 HZ3 LYS 51 12.501 2.060 6.909 444 H SER 52 HN SER 52 5.872 2.360 8.533 445 HA SER 52 HA SER 52 3.447 1.266 7.296 446 1HB SER 52 HB2 SER 52 4.297 0.124 9.330 447 2HB SER 52 HB1 SER 52 4.048 1.611 10.243 448 HG SER 52 HG SER 52 1.915 1.338 10.162 449 H GLY 53 HN GLY 53 1.697 2.479 6.947 450 1HA GLY 53 HA2 GLY 53 0.040 4.040 7.551 451 2HA GLY 53 HA1 GLY 53 1.175 4.786 8.667 452 H ASN 54 HN ASN 54 2.096 4.073 5.396 453 HA ASN 54 HA ASN 54 2.502 6.908 4.890 454 1HB ASN 54 HB2 ASN 54 2.991 4.880 2.769 455 2HB ASN 54 HB1 ASN 54 3.926 6.312 3.191 456 1HD2 ASN 54 HD21 ASN 54 3.286 3.010 3.867 457 2HD2 ASN 54 HD22 ASN 54 4.667 2.715 4.868 458 H VAL 55 HN VAL 55 0.794 8.040 4.177 459 HA VAL 55 HA VAL 55 -1.404 6.770 2.858 460 HB VAL 55 HB VAL 55 -0.807 9.738 3.035 461 1HG1 VAL 55 HG11 VAL 55 -2.438 9.222 1.318 462 2HG1 VAL 55 HG12 VAL 55 -3.228 10.004 2.687 463 3HG1 VAL 55 HG13 VAL 55 -3.374 8.262 2.463 464 1HG2 VAL 55 HG21 VAL 55 -2.485 8.024 4.860 465 2HG2 VAL 55 HG22 VAL 55 -2.314 9.778 4.955 466 3HG2 VAL 55 HG23 VAL 55 -0.922 8.738 5.259 467 H VAL 56 HN VAL 56 -1.083 5.958 0.893 468 HA VAL 56 HA VAL 56 0.703 7.188 -1.006 469 HB VAL 56 HB VAL 56 -1.274 4.955 -1.509 470 1HG1 VAL 56 HG11 VAL 56 0.279 4.347 -3.316 471 2HG1 VAL 56 HG12 VAL 56 1.254 5.768 -2.940 472 3HG1 VAL 56 HG13 VAL 56 -0.396 5.962 -3.532 473 1HG2 VAL 56 HG21 VAL 56 1.598 4.747 -0.602 474 2HG2 VAL 56 HG22 VAL 56 0.552 3.399 -1.049 475 3HG2 VAL 56 HG23 VAL 56 0.177 4.372 0.372 476 H CYS 57 HN CYS 57 -2.784 6.692 -0.697 477 HA CYS 57 HA CYS 57 -3.200 8.970 -2.506 478 1HB CYS 57 HB2 CYS 57 -4.875 6.452 -2.444 479 2HB CYS 57 HB1 CYS 57 -5.136 7.848 -3.483 480 HG CYS 57 HG CYS 57 -2.324 7.336 -4.470 481 H LYS 58 HN LYS 58 -3.950 10.530 -1.200 482 HA LYS 58 HA LYS 58 -5.711 9.907 1.016 483 1HB LYS 58 HB2 LYS 58 -4.106 11.630 1.438 484 2HB LYS 58 HB1 LYS 58 -4.563 12.499 -0.021 485 1HG LYS 58 HG2 LYS 58 -6.563 13.252 0.909 486 2HG LYS 58 HG1 LYS 58 -6.532 12.042 2.191 487 1HD LYS 58 HD2 LYS 58 -4.592 14.340 1.922 488 2HD LYS 58 HD1 LYS 58 -5.991 14.311 3.001 489 1HE LYS 58 HE2 LYS 58 -5.014 12.217 4.015 490 2HE LYS 58 HE1 LYS 58 -3.548 12.554 3.094 491 1HZ LYS 58 HZ1 LYS 58 -4.779 14.302 5.154 492 2HZ LYS 58 HZ2 LYS 58 -3.425 14.720 4.219 493 3HZ LYS 58 HZ3 LYS 58 -3.340 13.420 5.306 494 H ASN 59 HN ASN 59 -7.851 10.055 1.015 495 HA ASN 59 HA ASN 59 -9.959 10.038 0.178 496 1HB ASN 59 HB2 ASN 59 -9.701 12.480 0.463 497 2HB ASN 59 HB1 ASN 59 -9.065 12.599 -1.174 498 1HD2 ASN 59 HD21 ASN 59 -10.696 13.944 -1.888 499 2HD2 ASN 59 HD22 ASN 59 -12.329 13.404 -2.099 500 H ILE 60 HN ILE 60 -9.187 8.117 -1.037 501 HA ILE 60 HA ILE 60 -8.404 8.562 -3.782 502 HB ILE 60 HB ILE 60 -7.361 6.734 -2.628 503 1HG1 ILE 60 HG12 ILE 60 -9.277 5.631 -4.699 504 2HG1 ILE 60 HG11 ILE 60 -7.790 6.501 -5.065 505 1HG2 ILE 60 HG21 ILE 60 -9.101 6.232 -1.023 506 2HG2 ILE 60 HG22 ILE 60 -8.604 4.769 -1.876 507 3HG2 ILE 60 HG23 ILE 60 -10.116 5.568 -2.304 508 1HD1 ILE 60 HD11 ILE 60 -6.512 4.735 -3.931 509 2HD1 ILE 60 HD12 ILE 60 -7.447 4.131 -5.298 510 3HD1 ILE 60 HD13 ILE 60 -8.014 3.854 -3.650 511 H MET 61 HN MET 61 -9.657 8.728 -5.467 512 HA MET 61 HA MET 61 -11.398 8.619 -6.903 513 1HB MET 61 HB2 MET 61 -12.210 6.276 -5.185 514 2HB MET 61 HB1 MET 61 -13.010 6.718 -6.684 515 1HG MET 61 HG2 MET 61 -10.113 5.937 -6.414 516 2HG MET 61 HG1 MET 61 -11.413 4.889 -6.979 517 1HE MET 61 HE1 MET 61 -12.461 6.595 -10.336 518 2HE MET 61 HE2 MET 61 -13.179 6.789 -8.738 519 3HE MET 61 HE3 MET 61 -12.680 5.191 -9.293 520 H ASN 62 HN ASN 62 -11.571 10.052 -4.216 521 HA ASN 62 HA ASN 62 -12.994 11.519 -3.230 522 1HB ASN 62 HB2 ASN 62 -13.598 12.071 -5.596 523 2HB ASN 62 HB1 ASN 62 -14.908 10.903 -5.488 524 1HD2 ASN 62 HD21 ASN 62 -15.240 13.614 -6.091 525 2HD2 ASN 62 HD22 ASN 62 -16.162 14.346 -4.814 526 H THR 63 HN THR 63 -13.447 10.509 -1.356 527 HA THR 63 HA THR 63 -16.114 9.730 -0.904 528 HB THR 63 HB THR 63 -15.503 7.617 -1.927 529 HG1 THR 63 HG1 THR 63 -16.109 6.267 -0.219 530 1HG2 THR 63 HG21 THR 63 -13.769 6.167 -0.984 531 2HG2 THR 63 HG22 THR 63 -13.323 7.439 0.154 532 3HG2 THR 63 HG23 THR 63 -13.088 7.682 -1.576 533 H GLY 64 HN GLY 64 -12.771 9.746 0.192 534 1HA GLY 64 HA2 GLY 64 -12.547 11.259 2.184 535 2HA GLY 64 HA1 GLY 64 -13.766 10.236 2.925 536 H VAL 65 HN VAL 65 -12.289 7.917 1.437 537 HA VAL 65 HA VAL 65 -10.694 7.297 3.755 538 HB VAL 65 HB VAL 65 -10.356 5.098 2.798 539 1HG1 VAL 65 HG11 VAL 65 -13.218 6.025 2.645 540 2HG1 VAL 65 HG12 VAL 65 -12.366 5.459 4.085 541 3HG1 VAL 65 HG13 VAL 65 -12.697 4.344 2.761 542 1HG2 VAL 65 HG21 VAL 65 -10.165 5.644 0.468 543 2HG2 VAL 65 HG22 VAL 65 -11.865 6.117 0.407 544 3HG2 VAL 65 HG23 VAL 65 -11.425 4.434 0.706 545 H ASP 66 HN ASP 66 -8.555 7.014 3.895 546 HA ASP 66 HA ASP 66 -6.913 7.829 1.594 547 1HB ASP 66 HB2 ASP 66 -5.883 7.582 4.412 548 2HB ASP 66 HB1 ASP 66 -5.273 8.583 3.101 549 H ILE 67 HN ILE 67 -5.562 6.347 0.721 550 HA ILE 67 HA ILE 67 -5.628 3.661 1.863 551 HB ILE 67 HB ILE 67 -4.517 4.612 -0.788 552 1HG1 ILE 67 HG12 ILE 67 -6.923 4.804 -0.747 553 2HG1 ILE 67 HG11 ILE 67 -6.491 3.400 -1.718 554 1HG2 ILE 67 HG21 ILE 67 -3.335 2.638 -0.022 555 2HG2 ILE 67 HG22 ILE 67 -4.402 2.221 -1.365 556 3HG2 ILE 67 HG23 ILE 67 -4.865 1.814 0.288 557 1HD1 ILE 67 HD11 ILE 67 -8.401 2.922 -0.308 558 2HD1 ILE 67 HD12 ILE 67 -7.476 3.355 1.130 559 3HD1 ILE 67 HD13 ILE 67 -7.019 1.941 0.179 560 H ILE 68 HN ILE 68 -4.110 3.071 3.211 561 HA ILE 68 HA ILE 68 -1.481 4.384 3.030 562 HB ILE 68 HB ILE 68 -1.264 4.061 5.469 563 1HG1 ILE 68 HG12 ILE 68 -4.191 3.282 5.350 564 2HG1 ILE 68 HG11 ILE 68 -2.863 2.173 5.675 565 1HG2 ILE 68 HG21 ILE 68 -2.819 5.842 6.129 566 2HG2 ILE 68 HG22 ILE 68 -3.676 5.642 4.601 567 3HG2 ILE 68 HG23 ILE 68 -2.001 6.197 4.608 568 1HD1 ILE 68 HD11 ILE 68 -3.667 4.512 7.383 569 2HD1 ILE 68 HD12 ILE 68 -2.327 3.408 7.705 570 3HD1 ILE 68 HD13 ILE 68 -3.986 2.810 7.715 571 H CYS 69 HN CYS 69 0.253 3.113 2.852 572 HA CYS 69 HA CYS 69 -0.114 0.226 3.039 573 1HB CYS 69 HB2 CYS 69 2.396 0.251 2.402 574 2HB CYS 69 HB1 CYS 69 1.219 0.745 1.190 575 HG CYS 69 HG CYS 69 3.816 2.279 1.608 576 H THR 70 HN THR 70 0.741 -1.065 4.639 577 HA THR 70 HA THR 70 1.604 0.450 7.026 578 HB THR 70 HB THR 70 -0.743 -0.260 7.135 579 HG1 THR 70 HG1 THR 70 1.106 -0.711 8.972 580 1HG2 THR 70 HG21 THR 70 -0.647 -2.225 5.717 581 2HG2 THR 70 HG22 THR 70 -1.305 -2.652 7.298 582 3HG2 THR 70 HG23 THR 70 0.366 -3.056 6.899 583 H LYS 71 HN LYS 71 3.061 -1.323 4.932 584 HA LYS 71 HA LYS 71 4.413 -2.987 6.945 585 1HB LYS 71 HB2 LYS 71 3.349 -4.360 5.217 586 2HB LYS 71 HB1 LYS 71 4.205 -3.467 3.968 587 1HG LYS 71 HG2 LYS 71 6.291 -4.360 4.623 588 2HG LYS 71 HG1 LYS 71 5.621 -5.016 6.119 589 1HD LYS 71 HD2 LYS 71 4.261 -6.582 4.844 590 2HD LYS 71 HD1 LYS 71 4.863 -5.898 3.333 591 1HE LYS 71 HE2 LYS 71 5.999 -7.989 3.902 592 2HE LYS 71 HE1 LYS 71 7.116 -6.624 3.880 593 1HZ LYS 71 HZ1 LYS 71 7.509 -8.056 5.772 594 2HZ LYS 71 HZ2 LYS 71 5.914 -7.844 6.312 595 3HZ LYS 71 HZ3 LYS 71 6.991 -6.530 6.292 596 H ASN 72 HN ASN 72 6.523 -2.638 7.280 597 HA ASN 72 HA ASN 72 7.649 -0.260 6.054 598 1HB ASN 72 HB2 ASN 72 8.698 -2.092 8.229 599 2HB ASN 72 HB1 ASN 72 9.545 -0.662 7.653 600 1HD2 ASN 72 HD21 ASN 72 6.082 -1.083 8.230 601 2HD2 ASN 72 HD22 ASN 72 5.965 0.108 9.475 602 H LEU 73 HN LEU 73 8.582 -0.510 4.094 603 HA LEU 73 HA LEU 73 9.921 -3.028 3.439 604 1HB LEU 73 HB2 LEU 73 9.349 -0.549 1.819 605 2HB LEU 73 HB1 LEU 73 10.346 -1.856 1.218 606 HG LEU 73 HG LEU 73 8.312 -3.367 1.633 607 1HD1 LEU 73 HD11 LEU 73 6.151 -2.256 1.566 608 2HD1 LEU 73 HD12 LEU 73 6.946 -0.684 1.662 609 3HD1 LEU 73 HD13 LEU 73 7.050 -1.809 3.018 610 1HD2 LEU 73 HD21 LEU 73 9.103 -2.739 -0.581 611 2HD2 LEU 73 HD22 LEU 73 8.203 -1.224 -0.485 612 3HD2 LEU 73 HD23 LEU 73 7.340 -2.762 -0.527 613 HA PRO 74 HA PRO 74 13.989 -1.416 4.457 614 1HB PRO 74 HB2 PRO 74 14.918 -3.633 2.747 615 2HB PRO 74 HB1 PRO 74 15.271 -3.304 4.444 616 1HG PRO 74 HG2 PRO 74 13.671 -5.330 3.699 617 2HG PRO 74 HG1 PRO 74 13.384 -4.410 5.189 618 1HD PRO 74 HD2 PRO 74 12.001 -4.210 2.540 619 2HD PRO 74 HD1 PRO 74 11.320 -4.122 4.178 620 H LYS 75 HN LYS 75 14.999 0.156 3.432 621 HA LYS 75 HA LYS 75 14.349 0.956 0.831 622 1HB LYS 75 HB2 LYS 75 16.221 1.832 2.912 623 2HB LYS 75 HB1 LYS 75 16.737 2.211 1.276 624 1HG LYS 75 HG2 LYS 75 14.200 3.050 1.136 625 2HG LYS 75 HG1 LYS 75 14.496 3.291 2.861 626 1HD LYS 75 HD2 LYS 75 15.050 5.301 1.580 627 2HD LYS 75 HD1 LYS 75 16.489 4.613 2.338 628 1HE LYS 75 HE2 LYS 75 17.075 3.531 0.222 629 2HE LYS 75 HE1 LYS 75 15.641 4.220 -0.533 630 1HZ LYS 75 HZ1 LYS 75 17.570 5.512 -1.086 631 2HZ LYS 75 HZ2 LYS 75 17.964 5.726 0.548 632 3HZ LYS 75 HZ3 LYS 75 16.560 6.437 -0.087 633 H ASP 76 HN ASP 76 15.622 1.154 -1.035 634 HA ASP 76 HA ASP 76 17.308 -1.101 -1.626 635 1HB ASP 76 HB2 ASP 76 17.411 -0.182 -3.867 636 2HB ASP 76 HB1 ASP 76 15.749 -0.069 -3.292 637 H SER 77 HN SER 77 19.432 -0.474 -2.899 638 HA SER 77 HA SER 77 20.862 1.505 -1.267 639 1HB SER 77 HB2 SER 77 22.905 0.055 -1.782 640 2HB SER 77 HB1 SER 77 21.724 -0.617 -0.655 641 HG SER 77 HG SER 77 22.545 -1.567 -3.067 642 H LEU 78 HN LEU 78 21.925 3.090 -2.312 643 HA LEU 78 HA LEU 78 21.673 3.289 -5.158 644 1HB LEU 78 HB2 LEU 78 21.509 5.271 -3.732 645 2HB LEU 78 HB1 LEU 78 23.165 5.041 -3.204 646 HG LEU 78 HG LEU 78 23.941 5.435 -5.520 647 1HD1 LEU 78 HD11 LEU 78 22.390 6.336 -7.174 648 2HD1 LEU 78 HD12 LEU 78 21.046 6.071 -6.066 649 3HD1 LEU 78 HD13 LEU 78 21.943 4.696 -6.705 650 1HD2 LEU 78 HD21 LEU 78 23.891 7.281 -3.951 651 2HD2 LEU 78 HD22 LEU 78 22.204 7.604 -4.350 652 3HD2 LEU 78 HD23 LEU 78 23.459 7.846 -5.565 653 H GLU 79 HN GLU 79 22.807 1.414 -5.787 654 HA GLU 79 HA GLU 79 25.731 1.738 -5.696 655 1HB GLU 79 HB2 GLU 79 24.139 -0.807 -6.077 656 2HB GLU 79 HB1 GLU 79 25.896 -0.686 -6.022 657 1HG GLU 79 HG2 GLU 79 25.810 0.054 -3.723 658 2HG GLU 79 HG1 GLU 79 24.047 0.050 -3.762 659 H HIS 80 HN HIS 80 23.238 0.198 -7.712 660 HA HIS 80 HA HIS 80 22.821 0.216 -9.936 661 1HB HIS 80 HB2 HIS 80 22.540 2.669 -9.346 662 2HB HIS 80 HB1 HIS 80 24.159 2.923 -9.986 663 HD1 HIS 80 HD1 HIS 80 20.646 2.211 -11.018 664 HD2 HIS 80 HD2 HIS 80 24.370 2.775 -12.790 665 HE1 HIS 80 HE1 HIS 80 20.193 2.508 -13.472 666 HE2 HIS 80 HE2 HIS 80 22.431 3.028 -14.492 667 H HIS 81 HN HIS 81 24.158 -1.449 -10.566 668 HA HIS 81 HA HIS 81 26.965 -1.175 -10.858 669 1HB HIS 81 HB2 HIS 81 25.071 -3.288 -11.896 670 2HB HIS 81 HB1 HIS 81 26.824 -3.392 -12.014 671 HD1 HIS 81 HD1 HIS 81 24.010 -4.053 -9.765 672 HD2 HIS 81 HD2 HIS 81 28.134 -3.616 -9.447 673 HE1 HIS 81 HE1 HIS 81 24.624 -5.002 -7.516 674 HE2 HIS 81 HE2 HIS 81 27.147 -4.943 -7.457 675 H HIS 82 HN HIS 82 27.574 0.425 -12.245 676 HA HIS 82 HA HIS 82 27.564 -0.348 -15.013 677 1HB HIS 82 HB2 HIS 82 25.447 1.115 -14.608 678 2HB HIS 82 HB1 HIS 82 26.590 2.452 -14.504 679 HD1 HIS 82 HD1 HIS 82 24.468 0.935 -16.858 680 HD2 HIS 82 HD2 HIS 82 28.405 2.276 -16.998 681 HE1 HIS 82 HE1 HIS 82 24.994 1.254 -19.296 682 HE2 HIS 82 HE2 HIS 82 27.342 2.181 -19.355 683 H HIS 83 HN HIS 83 28.112 2.729 -13.252 684 HA HIS 83 HA HIS 83 30.921 2.214 -13.101 685 1HB HIS 83 HB2 HIS 83 31.712 4.113 -14.429 686 2HB HIS 83 HB1 HIS 83 30.856 2.955 -15.432 687 HD1 HIS 83 HD1 HIS 83 29.468 4.062 -17.116 688 HD2 HIS 83 HD2 HIS 83 29.732 6.337 -13.644 689 HE1 HIS 83 HE1 HIS 83 28.139 6.149 -17.563 690 HE2 HIS 83 HE2 HIS 83 28.454 7.580 -15.517 691 H HIS 84 HN HIS 84 32.080 3.869 -11.964 692 HA HIS 84 HA HIS 84 32.388 5.270 -10.230 693 1HB HIS 84 HB2 HIS 84 31.739 6.932 -11.906 694 2HB HIS 84 HB1 HIS 84 30.047 6.727 -11.471 695 HD1 HIS 84 HD1 HIS 84 32.925 7.150 -9.023 696 HD2 HIS 84 HD2 HIS 84 29.550 9.173 -10.376 697 HE1 HIS 84 HE1 HIS 84 32.704 9.172 -7.544 698 HE2 HIS 84 HE2 HIS 84 30.771 10.474 -8.499 699 H HIS 85 HN HIS 85 31.751 3.534 -8.796 700 HA HIS 85 HA HIS 85 29.342 4.292 -7.279 701 1HB HIS 85 HB2 HIS 85 29.145 2.008 -8.132 702 2HB HIS 85 HB1 HIS 85 30.704 1.589 -7.429 703 HD1 HIS 85 HD1 HIS 85 30.352 0.168 -5.447 704 HD2 HIS 85 HD2 HIS 85 27.444 3.128 -5.753 705 HE1 HIS 85 HE1 HIS 85 28.871 -0.118 -3.436 706 HE2 HIS 85 HE2 HIS 85 27.253 1.808 -3.536 Start of MODEL 12 1 1H MET 1 HT1 MET 1 -22.055 -10.181 3.204 2 2H MET 1 HT2 MET 1 -22.790 -9.742 4.668 3 3H MET 1 HT3 MET 1 -21.100 -9.843 4.567 4 HA MET 1 HA MET 1 -21.075 -8.021 2.982 5 1HB MET 1 HB2 MET 1 -23.351 -8.425 2.091 6 2HB MET 1 HB1 MET 1 -24.033 -7.871 3.613 7 1HG MET 1 HG2 MET 1 -23.023 -5.660 3.239 8 2HG MET 1 HG1 MET 1 -22.415 -6.225 1.683 9 1HE MET 1 HE1 MET 1 -25.870 -7.029 3.413 10 2HE MET 1 HE2 MET 1 -26.888 -5.762 2.729 11 3HE MET 1 HE3 MET 1 -25.567 -5.341 3.819 12 H HIS 2 HN HIS 2 -19.848 -6.838 4.287 13 HA HIS 2 HA HIS 2 -21.092 -5.287 6.401 14 1HB HIS 2 HB2 HIS 2 -20.357 -7.366 7.541 15 2HB HIS 2 HB1 HIS 2 -18.723 -7.100 6.950 16 HD1 HIS 2 HD1 HIS 2 -21.191 -5.855 9.486 17 HD2 HIS 2 HD2 HIS 2 -17.234 -5.212 8.375 18 HE1 HIS 2 HE1 HIS 2 -20.175 -4.496 11.342 19 HE2 HIS 2 HE2 HIS 2 -17.761 -4.183 10.692 20 H LYS 3 HN LYS 3 -20.127 -3.309 6.610 21 HA LYS 3 HA LYS 3 -18.177 -2.578 4.643 22 1HB LYS 3 HB2 LYS 3 -19.377 -1.019 6.936 23 2HB LYS 3 HB1 LYS 3 -18.279 -0.335 5.744 24 1HG LYS 3 HG2 LYS 3 -19.904 -0.983 3.975 25 2HG LYS 3 HG1 LYS 3 -21.023 -1.466 5.250 26 1HD LYS 3 HD2 LYS 3 -21.067 0.788 6.117 27 2HD LYS 3 HD1 LYS 3 -19.842 1.291 4.952 28 1HE LYS 3 HE2 LYS 3 -21.400 0.705 3.127 29 2HE LYS 3 HE1 LYS 3 -22.630 0.331 4.330 30 1HZ LYS 3 HZ1 LYS 3 -21.320 2.978 4.037 31 2HZ LYS 3 HZ2 LYS 3 -22.627 2.594 5.049 32 3HZ LYS 3 HZ3 LYS 3 -22.821 2.576 3.362 33 H ASP 4 HN ASP 4 -16.092 -2.869 4.811 34 HA ASP 4 HA ASP 4 -14.899 -3.016 7.498 35 1HB ASP 4 HB2 ASP 4 -14.685 -4.980 5.246 36 2HB ASP 4 HB1 ASP 4 -13.341 -4.793 6.368 37 H ILE 5 HN ILE 5 -12.394 -3.216 7.173 38 HA ILE 5 HA ILE 5 -11.549 -0.801 5.872 39 HB ILE 5 HB ILE 5 -10.025 -2.933 7.375 40 1HG1 ILE 5 HG12 ILE 5 -11.516 -1.582 8.761 41 2HG1 ILE 5 HG11 ILE 5 -9.834 -1.194 9.110 42 1HG2 ILE 5 HG21 ILE 5 -9.000 -0.309 6.302 43 2HG2 ILE 5 HG22 ILE 5 -8.565 -1.914 5.712 44 3HG2 ILE 5 HG23 ILE 5 -8.107 -1.420 7.343 45 1HD1 ILE 5 HD11 ILE 5 -11.707 0.424 7.396 46 2HD1 ILE 5 HD12 ILE 5 -10.015 0.811 7.724 47 3HD1 ILE 5 HD13 ILE 5 -11.191 0.808 9.040 48 H PHE 6 HN PHE 6 -11.193 -0.752 3.748 49 HA PHE 6 HA PHE 6 -10.676 -2.938 2.088 50 1HB PHE 6 HB2 PHE 6 -11.400 -0.819 1.176 51 2HB PHE 6 HB1 PHE 6 -9.950 -0.018 1.762 52 HD1 PHE 6 HD2 PHE 6 -11.296 -2.371 -0.724 53 HD2 PHE 6 HD1 PHE 6 -7.902 -0.152 0.562 54 HE1 PHE 6 HE2 PHE 6 -10.182 -2.842 -2.866 55 HE2 PHE 6 HE1 PHE 6 -6.783 -0.618 -1.576 56 HZ PHE 6 HZ PHE 6 -7.921 -1.965 -3.293 57 H THR 7 HN THR 7 -8.928 -4.163 1.812 58 HA THR 7 HA THR 7 -6.296 -2.996 1.979 59 HB THR 7 HB THR 7 -6.623 -3.675 4.303 60 HG1 THR 7 HG1 THR 7 -4.570 -4.094 3.020 61 1HG2 THR 7 HG21 THR 7 -7.089 -6.452 3.208 62 2HG2 THR 7 HG22 THR 7 -8.289 -5.431 3.997 63 3HG2 THR 7 HG23 THR 7 -6.907 -6.035 4.911 64 H SER 8 HN SER 8 -4.914 -3.938 0.583 65 HA SER 8 HA SER 8 -5.415 -6.585 -0.463 66 1HB SER 8 HB2 SER 8 -5.549 -4.151 -2.266 67 2HB SER 8 HB1 SER 8 -5.562 -5.829 -2.810 68 HG SER 8 HG SER 8 -7.446 -5.452 -0.928 69 H VAL 9 HN VAL 9 -3.715 -7.081 -2.202 70 HA VAL 9 HA VAL 9 -1.178 -5.836 -1.374 71 HB VAL 9 HB VAL 9 -1.625 -8.678 -2.318 72 1HG1 VAL 9 HG11 VAL 9 0.551 -7.833 -2.992 73 2HG1 VAL 9 HG12 VAL 9 0.725 -9.026 -1.706 74 3HG1 VAL 9 HG13 VAL 9 0.878 -7.308 -1.341 75 1HG2 VAL 9 HG21 VAL 9 -0.982 -7.598 0.426 76 2HG2 VAL 9 HG22 VAL 9 -1.029 -9.305 -0.016 77 3HG2 VAL 9 HG23 VAL 9 -2.501 -8.337 -0.080 78 H VAL 10 HN VAL 10 -0.212 -4.707 -2.910 79 HA VAL 10 HA VAL 10 -0.882 -5.333 -5.712 80 HB VAL 10 HB VAL 10 -0.593 -2.960 -6.242 81 1HG1 VAL 10 HG11 VAL 10 -2.606 -2.105 -5.043 82 2HG1 VAL 10 HG12 VAL 10 -2.576 -3.569 -4.061 83 3HG1 VAL 10 HG13 VAL 10 -2.823 -3.681 -5.804 84 1HG2 VAL 10 HG21 VAL 10 -0.237 -2.597 -3.268 85 2HG2 VAL 10 HG22 VAL 10 -0.441 -1.292 -4.438 86 3HG2 VAL 10 HG23 VAL 10 0.985 -2.328 -4.510 87 H ARG 11 HN ARG 11 0.787 -4.304 -7.237 88 HA ARG 11 HA ARG 11 3.337 -5.437 -6.665 89 1HB ARG 11 HB2 ARG 11 1.936 -4.336 -8.950 90 2HB ARG 11 HB1 ARG 11 3.603 -3.778 -8.898 91 1HG ARG 11 HG2 ARG 11 2.842 -6.673 -8.666 92 2HG ARG 11 HG1 ARG 11 3.177 -5.881 -10.209 93 1HD ARG 11 HD2 ARG 11 5.412 -5.311 -9.464 94 2HD ARG 11 HD1 ARG 11 5.085 -5.995 -7.872 95 HE ARG 11 HE ARG 11 5.574 -8.047 -8.712 96 1HH1 ARG 11 HH11 ARG 11 4.813 -5.934 -11.407 97 2HH1 ARG 11 HH12 ARG 11 5.216 -7.121 -12.612 98 1HH2 ARG 11 HH21 ARG 11 6.110 -9.604 -10.291 99 2HH2 ARG 11 HH22 ARG 11 5.943 -9.209 -11.974 100 H VAL 12 HN VAL 12 5.053 -4.514 -5.764 101 HA VAL 12 HA VAL 12 4.923 -1.636 -5.227 102 HB VAL 12 HB VAL 12 4.985 -2.982 -3.221 103 1HG1 VAL 12 HG11 VAL 12 7.567 -4.112 -4.268 104 2HG1 VAL 12 HG12 VAL 12 6.044 -4.980 -4.061 105 3HG1 VAL 12 HG13 VAL 12 6.914 -4.375 -2.652 106 1HG2 VAL 12 HG21 VAL 12 6.095 -0.855 -3.091 107 2HG2 VAL 12 HG22 VAL 12 7.588 -1.559 -3.712 108 3HG2 VAL 12 HG23 VAL 12 6.979 -2.041 -2.129 109 H ARG 13 HN ARG 13 6.367 -0.289 -6.008 110 HA ARG 13 HA ARG 13 8.488 -1.373 -7.722 111 1HB ARG 13 HB2 ARG 13 6.917 -0.082 -8.957 112 2HB ARG 13 HB1 ARG 13 6.912 1.198 -7.756 113 1HG ARG 13 HG2 ARG 13 9.149 1.848 -8.389 114 2HG ARG 13 HG1 ARG 13 9.253 0.490 -9.513 115 1HD ARG 13 HD2 ARG 13 7.556 1.412 -10.906 116 2HD ARG 13 HD1 ARG 13 7.158 2.642 -9.708 117 HE ARG 13 HE ARG 13 9.100 3.820 -10.291 118 1HH1 ARG 13 HH11 ARG 13 8.676 0.916 -12.220 119 2HH1 ARG 13 HH12 ARG 13 9.806 1.426 -13.443 120 1HH2 ARG 13 HH21 ARG 13 10.557 4.489 -11.925 121 2HH2 ARG 13 HH22 ARG 13 10.863 3.439 -13.281 122 H GLY 14 HN GLY 14 10.595 -0.703 -7.523 123 1HA GLY 14 HA2 GLY 14 12.044 1.206 -6.744 124 2HA GLY 14 HA1 GLY 14 11.183 1.055 -5.218 125 H SER 15 HN SER 15 13.907 0.889 -5.223 126 HA SER 15 HA SER 15 14.677 -1.890 -5.258 127 1HB SER 15 HB2 SER 15 16.190 0.569 -4.349 128 2HB SER 15 HB1 SER 15 16.878 -1.049 -4.511 129 HG SER 15 HG SER 15 16.194 0.808 -6.463 130 H LYS 16 HN LYS 16 13.765 -3.081 -3.746 131 HA LYS 16 HA LYS 16 14.466 -2.691 -1.001 132 1HB LYS 16 HB2 LYS 16 11.914 -3.015 -0.373 133 2HB LYS 16 HB1 LYS 16 12.603 -1.416 -0.593 134 1HG LYS 16 HG2 LYS 16 10.351 -1.799 -1.634 135 2HG LYS 16 HG1 LYS 16 11.591 -1.169 -2.715 136 1HD LYS 16 HD2 LYS 16 11.934 -3.356 -3.668 137 2HD LYS 16 HD1 LYS 16 10.825 -4.076 -2.502 138 1HE LYS 16 HE2 LYS 16 8.980 -3.316 -3.569 139 2HE LYS 16 HE1 LYS 16 9.790 -1.873 -4.190 140 1HZ LYS 16 HZ1 LYS 16 10.331 -4.615 -5.188 141 2HZ LYS 16 HZ2 LYS 16 10.839 -3.152 -5.875 142 3HZ LYS 16 HZ3 LYS 16 9.196 -3.575 -5.899 143 H LYS 17 HN LYS 17 12.895 -4.514 0.249 144 HA LYS 17 HA LYS 17 13.841 -6.937 -1.064 145 1HB LYS 17 HB2 LYS 17 12.865 -6.448 1.749 146 2HB LYS 17 HB1 LYS 17 13.412 -8.007 1.145 147 1HG LYS 17 HG2 LYS 17 15.056 -5.495 1.360 148 2HG LYS 17 HG1 LYS 17 15.174 -6.923 2.390 149 1HD LYS 17 HD2 LYS 17 15.856 -8.267 0.470 150 2HD LYS 17 HD1 LYS 17 15.694 -6.858 -0.583 151 1HE LYS 17 HE2 LYS 17 17.425 -5.711 0.735 152 2HE LYS 17 HE1 LYS 17 17.618 -7.164 1.719 153 1HZ LYS 17 HZ1 LYS 17 19.285 -6.954 -0.064 154 2HZ LYS 17 HZ2 LYS 17 18.049 -7.043 -1.220 155 3HZ LYS 17 HZ3 LYS 17 18.355 -8.370 -0.208 156 H TYR 18 HN TYR 18 10.965 -5.341 -1.128 157 HA TYR 18 HA TYR 18 9.418 -7.834 -1.073 158 1HB TYR 18 HB2 TYR 18 8.610 -5.007 -0.497 159 2HB TYR 18 HB1 TYR 18 7.411 -6.224 -0.930 160 HD1 TYR 18 HD2 TYR 18 7.434 -8.404 0.475 161 HD2 TYR 18 HD1 TYR 18 9.245 -4.767 1.736 162 HE1 TYR 18 HE2 TYR 18 7.346 -9.178 2.806 163 HE2 TYR 18 HE1 TYR 18 9.163 -5.532 4.072 164 HH TYR 18 HH TYR 18 8.576 -8.722 4.952 165 H ASN 19 HN ASN 19 8.159 -8.450 -2.755 166 HA ASN 19 HA ASN 19 8.426 -6.867 -5.216 167 1HB ASN 19 HB2 ASN 19 9.108 -9.377 -5.013 168 2HB ASN 19 HB1 ASN 19 7.378 -9.689 -5.089 169 1HD2 ASN 19 HD21 ASN 19 9.618 -10.322 -6.923 170 2HD2 ASN 19 HD22 ASN 19 9.138 -9.690 -8.461 171 H VAL 20 HN VAL 20 6.355 -7.530 -2.719 172 HA VAL 20 HA VAL 20 4.064 -6.446 -4.153 173 HB VAL 20 HB VAL 20 2.529 -8.069 -3.007 174 1HG1 VAL 20 HG11 VAL 20 3.006 -8.347 -5.357 175 2HG1 VAL 20 HG12 VAL 20 2.914 -9.928 -4.582 176 3HG1 VAL 20 HG13 VAL 20 4.484 -9.235 -4.986 177 1HG2 VAL 20 HG21 VAL 20 5.081 -9.587 -2.472 178 2HG2 VAL 20 HG22 VAL 20 3.447 -10.204 -2.224 179 3HG2 VAL 20 HG23 VAL 20 4.033 -8.847 -1.262 180 H VAL 21 HN VAL 21 2.611 -5.313 -2.772 181 HA VAL 21 HA VAL 21 3.506 -5.038 0.012 182 HB VAL 21 HB VAL 21 4.539 -3.200 -1.186 183 1HG1 VAL 21 HG11 VAL 21 1.751 -2.448 -2.046 184 2HG1 VAL 21 HG12 VAL 21 3.049 -3.038 -3.085 185 3HG1 VAL 21 HG13 VAL 21 3.198 -1.470 -2.291 186 1HG2 VAL 21 HG21 VAL 21 2.215 -2.282 0.501 187 2HG2 VAL 21 HG22 VAL 21 3.643 -1.323 0.110 188 3HG2 VAL 21 HG23 VAL 21 3.800 -2.782 1.088 189 HA PRO 22 HA PRO 22 -0.923 -5.222 0.700 190 1HB PRO 22 HB2 PRO 22 -0.319 -5.098 3.518 191 2HB PRO 22 HB1 PRO 22 -0.903 -6.472 2.577 192 1HG PRO 22 HG2 PRO 22 1.601 -6.316 3.696 193 2HG PRO 22 HG1 PRO 22 1.188 -7.330 2.305 194 1HD PRO 22 HD2 PRO 22 2.568 -4.687 2.381 195 2HD PRO 22 HD1 PRO 22 2.852 -6.082 1.321 196 H VAL 23 HN VAL 23 -1.920 -3.365 0.305 197 HA VAL 23 HA VAL 23 -1.354 -1.028 2.004 198 HB VAL 23 HB VAL 23 -2.525 0.313 0.332 199 1HG1 VAL 23 HG11 VAL 23 -0.948 0.082 -1.524 200 2HG1 VAL 23 HG12 VAL 23 -0.459 -1.499 -0.912 201 3HG1 VAL 23 HG13 VAL 23 -0.135 -0.047 0.036 202 1HG2 VAL 23 HG21 VAL 23 -3.266 -0.679 -1.790 203 2HG2 VAL 23 HG22 VAL 23 -4.161 -1.326 -0.414 204 3HG2 VAL 23 HG23 VAL 23 -2.883 -2.282 -1.165 205 H LYS 24 HN LYS 24 -3.283 0.229 2.725 206 HA LYS 24 HA LYS 24 -5.807 -1.191 2.744 207 1HB LYS 24 HB2 LYS 24 -6.009 -1.304 5.166 208 2HB LYS 24 HB1 LYS 24 -4.608 -2.222 4.633 209 1HG LYS 24 HG2 LYS 24 -3.162 -0.332 5.270 210 2HG LYS 24 HG1 LYS 24 -4.584 0.526 5.864 211 1HD LYS 24 HD2 LYS 24 -3.664 -2.166 6.871 212 2HD LYS 24 HD1 LYS 24 -3.284 -0.630 7.647 213 1HE LYS 24 HE2 LYS 24 -6.090 -1.615 7.143 214 2HE LYS 24 HE1 LYS 24 -5.217 -1.870 8.652 215 1HZ LYS 24 HZ1 LYS 24 -5.028 0.554 8.878 216 2HZ LYS 24 HZ2 LYS 24 -6.640 0.043 8.847 217 3HZ LYS 24 HZ3 LYS 24 -5.959 0.756 7.476 218 H SER 25 HN SER 25 -7.362 0.059 4.268 219 HA SER 25 HA SER 25 -6.997 2.952 3.822 220 1HB SER 25 HB2 SER 25 -9.556 1.425 4.358 221 2HB SER 25 HB1 SER 25 -9.411 3.116 3.877 222 HG SER 25 HG SER 25 -8.164 1.340 2.188 223 H ASN 26 HN ASN 26 -7.293 4.360 5.580 224 HA ASN 26 HA ASN 26 -7.224 3.084 8.208 225 1HB ASN 26 HB2 ASN 26 -6.527 5.162 9.103 226 2HB ASN 26 HB1 ASN 26 -5.695 5.036 7.561 227 1HD2 ASN 26 HD21 ASN 26 -6.300 6.387 5.868 228 2HD2 ASN 26 HD22 ASN 26 -7.256 7.814 6.130 229 H LYS 27 HN LYS 27 -9.490 3.980 6.090 230 HA LYS 27 HA LYS 27 -11.461 4.646 8.161 231 1HB LYS 27 HB2 LYS 27 -10.754 6.634 6.806 232 2HB LYS 27 HB1 LYS 27 -11.341 5.813 5.371 233 1HG LYS 27 HG2 LYS 27 -13.591 5.934 6.121 234 2HG LYS 27 HG1 LYS 27 -13.090 6.480 7.725 235 1HD LYS 27 HD2 LYS 27 -12.694 7.998 5.142 236 2HD LYS 27 HD1 LYS 27 -13.921 8.343 6.364 237 1HE LYS 27 HE2 LYS 27 -12.235 8.881 7.986 238 2HE LYS 27 HE1 LYS 27 -10.953 8.365 6.893 239 1HZ LYS 27 HZ1 LYS 27 -12.791 10.647 6.390 240 2HZ LYS 27 HZ2 LYS 27 -11.473 10.184 5.428 241 3HZ LYS 27 HZ3 LYS 27 -11.211 10.790 6.990 242 HA PRO 28 HA PRO 28 -13.401 0.969 6.606 243 1HB PRO 28 HB2 PRO 28 -15.878 2.250 7.634 244 2HB PRO 28 HB1 PRO 28 -15.193 0.664 8.008 245 1HG PRO 28 HG2 PRO 28 -15.042 2.650 9.771 246 2HG PRO 28 HG1 PRO 28 -13.683 1.533 9.543 247 1HD PRO 28 HD2 PRO 28 -14.030 4.329 8.531 248 2HD PRO 28 HD1 PRO 28 -12.580 3.540 9.187 249 H VAL 29 HN VAL 29 -14.183 0.461 4.668 250 HA VAL 29 HA VAL 29 -15.642 2.540 3.168 251 HB VAL 29 HB VAL 29 -14.674 1.709 1.118 252 1HG1 VAL 29 HG11 VAL 29 -12.539 2.146 3.200 253 2HG1 VAL 29 HG12 VAL 29 -13.394 3.398 2.300 254 3HG1 VAL 29 HG13 VAL 29 -12.318 2.285 1.456 255 1HG2 VAL 29 HG21 VAL 29 -13.101 -0.267 2.750 256 2HG2 VAL 29 HG22 VAL 29 -13.120 -0.090 0.993 257 3HG2 VAL 29 HG23 VAL 29 -14.556 -0.664 1.836 258 H GLU 30 HN GLU 30 -16.697 1.337 1.137 259 HA GLU 30 HA GLU 30 -18.367 -0.799 2.242 260 1HB GLU 30 HB2 GLU 30 -19.140 1.433 0.983 261 2HB GLU 30 HB1 GLU 30 -18.882 0.432 -0.438 262 1HG GLU 30 HG2 GLU 30 -20.647 -0.339 1.865 263 2HG GLU 30 HG1 GLU 30 -21.222 0.473 0.412 264 H ILE 31 HN ILE 31 -18.440 -2.829 1.294 265 HA ILE 31 HA ILE 31 -15.905 -3.528 0.134 266 HB ILE 31 HB ILE 31 -16.722 -5.878 0.334 267 1HG1 ILE 31 HG12 ILE 31 -19.098 -4.569 1.680 268 2HG1 ILE 31 HG11 ILE 31 -19.141 -5.372 0.113 269 1HG2 ILE 31 HG21 ILE 31 -16.853 -4.145 2.795 270 2HG2 ILE 31 HG22 ILE 31 -15.402 -4.844 2.076 271 3HG2 ILE 31 HG23 ILE 31 -16.626 -5.894 2.790 272 1HD1 ILE 31 HD11 ILE 31 -18.498 -6.674 2.748 273 2HD1 ILE 31 HD12 ILE 31 -18.536 -7.481 1.180 274 3HD1 ILE 31 HD13 ILE 31 -20.016 -6.804 1.860 275 H SER 32 HN SER 32 -19.078 -3.001 -1.154 276 HA SER 32 HA SER 32 -18.740 -4.671 -3.450 277 1HB SER 32 HB2 SER 32 -20.969 -3.912 -2.676 278 2HB SER 32 HB1 SER 32 -20.544 -2.260 -3.125 279 HG SER 32 HG SER 32 -20.064 -3.503 -5.280 280 H LYS 33 HN LYS 33 -17.437 -1.667 -2.511 281 HA LYS 33 HA LYS 33 -16.843 -0.869 -5.257 282 1HB LYS 33 HB2 LYS 33 -16.261 0.497 -2.621 283 2HB LYS 33 HB1 LYS 33 -15.833 1.151 -4.198 284 1HG LYS 33 HG2 LYS 33 -18.224 1.178 -4.800 285 2HG LYS 33 HG1 LYS 33 -18.613 0.598 -3.181 286 1HD LYS 33 HD2 LYS 33 -18.926 2.996 -3.299 287 2HD LYS 33 HD1 LYS 33 -17.574 2.620 -2.230 288 1HE LYS 33 HE2 LYS 33 -15.986 3.221 -3.929 289 2HE LYS 33 HE1 LYS 33 -17.267 3.397 -5.130 290 1HZ LYS 33 HZ1 LYS 33 -16.478 5.536 -4.227 291 2HZ LYS 33 HZ2 LYS 33 -17.018 5.071 -2.686 292 3HZ LYS 33 HZ3 LYS 33 -18.131 5.277 -3.949 293 H TRP 34 HN TRP 34 -15.580 -2.996 -3.146 294 HA TRP 34 HA TRP 34 -12.858 -2.504 -2.944 295 1HB TRP 34 HB2 TRP 34 -13.927 -4.360 -1.784 296 2HB TRP 34 HB1 TRP 34 -14.300 -5.141 -3.314 297 HD1 TRP 34 HD1 TRP 34 -11.390 -4.499 -0.912 298 HE1 TRP 34 HE1 TRP 34 -9.458 -6.088 -1.517 299 HE3 TRP 34 HE3 TRP 34 -13.279 -6.491 -5.230 300 HZ2 TRP 34 HZ2 TRP 34 -8.824 -7.944 -3.536 301 HZ3 TRP 34 HZ3 TRP 34 -11.946 -8.174 -6.432 302 HH2 TRP 34 HH2 TRP 34 -9.765 -8.883 -5.599 303 H ILE 35 HN ILE 35 -14.682 -3.965 -5.578 304 HA ILE 35 HA ILE 35 -12.542 -4.799 -7.179 305 HB ILE 35 HB ILE 35 -15.276 -3.873 -8.078 306 1HG1 ILE 35 HG12 ILE 35 -14.323 -6.663 -7.396 307 2HG1 ILE 35 HG11 ILE 35 -15.316 -5.662 -6.343 308 1HG2 ILE 35 HG21 ILE 35 -13.262 -5.662 -9.434 309 2HG2 ILE 35 HG22 ILE 35 -13.685 -4.019 -9.916 310 3HG2 ILE 35 HG23 ILE 35 -14.885 -5.307 -10.023 311 1HD1 ILE 35 HD11 ILE 35 -16.656 -7.302 -7.522 312 2HD1 ILE 35 HD12 ILE 35 -16.093 -6.671 -9.070 313 3HD1 ILE 35 HD13 ILE 35 -17.091 -5.668 -8.017 314 H ASP 36 HN ASP 36 -14.321 -1.744 -7.078 315 HA ASP 36 HA ASP 36 -13.128 -0.641 -9.400 316 1HB ASP 36 HB2 ASP 36 -15.320 0.019 -8.118 317 2HB ASP 36 HB1 ASP 36 -14.244 1.067 -7.201 318 H PHE 37 HN PHE 37 -12.488 -0.261 -5.929 319 HA PHE 37 HA PHE 37 -10.352 1.553 -6.125 320 1HB PHE 37 HB2 PHE 37 -11.122 -0.492 -4.062 321 2HB PHE 37 HB1 PHE 37 -9.623 0.412 -3.908 322 HD1 PHE 37 HD1 PHE 37 -9.642 2.785 -3.453 323 HD2 PHE 37 HD2 PHE 37 -13.268 0.581 -3.747 324 HE1 PHE 37 HE1 PHE 37 -10.846 4.630 -2.362 325 HE2 PHE 37 HE2 PHE 37 -14.480 2.427 -2.660 326 HZ PHE 37 HZ PHE 37 -13.268 4.452 -1.964 327 H SER 38 HN SER 38 -10.409 -1.987 -6.169 328 HA SER 38 HA SER 38 -7.628 -2.380 -6.117 329 1HB SER 38 HB2 SER 38 -9.780 -4.153 -7.294 330 2HB SER 38 HB1 SER 38 -8.128 -4.654 -6.934 331 HG SER 38 HG SER 38 -10.181 -3.904 -5.141 332 H ASN 39 HN ASN 39 -9.867 -1.856 -8.788 333 HA ASN 39 HA ASN 39 -8.010 -2.409 -10.852 334 1HB ASN 39 HB2 ASN 39 -10.576 -0.829 -10.799 335 2HB ASN 39 HB1 ASN 39 -9.613 -1.007 -12.263 336 1HD2 ASN 39 HD21 ASN 39 -12.308 -1.919 -11.711 337 2HD2 ASN 39 HD22 ASN 39 -12.295 -3.637 -11.937 338 H VAL 40 HN VAL 40 -8.827 0.520 -9.068 339 HA VAL 40 HA VAL 40 -7.198 2.279 -10.586 340 HB VAL 40 HB VAL 40 -8.000 2.501 -7.672 341 1HG1 VAL 40 HG11 VAL 40 -6.129 3.954 -8.174 342 2HG1 VAL 40 HG12 VAL 40 -7.595 4.917 -7.979 343 3HG1 VAL 40 HG13 VAL 40 -6.965 4.583 -9.592 344 1HG2 VAL 40 HG21 VAL 40 -9.299 3.652 -10.139 345 2HG2 VAL 40 HG22 VAL 40 -9.789 3.963 -8.474 346 3HG2 VAL 40 HG23 VAL 40 -9.936 2.339 -9.148 347 H LEU 41 HN LEU 41 -6.632 0.282 -7.730 348 HA LEU 41 HA LEU 41 -4.005 1.108 -7.182 349 1HB LEU 41 HB2 LEU 41 -5.417 -1.497 -6.669 350 2HB LEU 41 HB1 LEU 41 -3.792 -1.164 -6.110 351 HG LEU 41 HG LEU 41 -6.296 0.302 -5.286 352 1HD1 LEU 41 HD11 LEU 41 -4.442 -1.578 -3.831 353 2HD1 LEU 41 HD12 LEU 41 -6.122 -1.879 -4.270 354 3HD1 LEU 41 HD13 LEU 41 -5.731 -0.648 -3.070 355 1HD2 LEU 41 HD21 LEU 41 -3.433 0.717 -4.421 356 2HD2 LEU 41 HD22 LEU 41 -4.846 1.521 -3.740 357 3HD2 LEU 41 HD23 LEU 41 -4.382 1.825 -5.414 358 H SER 42 HN SER 42 -5.260 -1.377 -9.356 359 HA SER 42 HA SER 42 -2.747 -2.552 -9.948 360 1HB SER 42 HB2 SER 42 -5.086 -3.539 -10.331 361 2HB SER 42 HB1 SER 42 -5.139 -2.557 -11.792 362 HG SER 42 HG SER 42 -3.259 -3.655 -12.511 363 H ARG 43 HN ARG 43 -4.124 0.393 -10.809 364 HA ARG 43 HA ARG 43 -2.544 0.712 -13.246 365 1HB ARG 43 HB2 ARG 43 -4.793 1.517 -13.393 366 2HB ARG 43 HB1 ARG 43 -4.649 2.397 -11.883 367 1HG ARG 43 HG2 ARG 43 -3.136 3.977 -12.910 368 2HG ARG 43 HG1 ARG 43 -3.164 3.056 -14.418 369 1HD ARG 43 HD2 ARG 43 -5.449 3.555 -14.783 370 2HD ARG 43 HD1 ARG 43 -5.644 4.190 -13.152 371 HE ARG 43 HE ARG 43 -4.393 6.125 -13.802 372 1HH1 ARG 43 HH11 ARG 43 -5.164 3.961 -16.458 373 2HH1 ARG 43 HH12 ARG 43 -5.074 5.213 -17.659 374 1HH2 ARG 43 HH21 ARG 43 -4.302 7.765 -15.383 375 2HH2 ARG 43 HH22 ARG 43 -4.614 7.375 -17.045 376 H LEU 44 HN LEU 44 -2.170 1.068 -9.958 377 HA LEU 44 HA LEU 44 -0.273 3.303 -10.250 378 1HB LEU 44 HB2 LEU 44 -1.824 2.395 -7.828 379 2HB LEU 44 HB1 LEU 44 -0.591 3.640 -7.805 380 HG LEU 44 HG LEU 44 -3.134 3.795 -9.415 381 1HD1 LEU 44 HD11 LEU 44 -3.611 3.803 -7.024 382 2HD1 LEU 44 HD12 LEU 44 -3.887 5.396 -7.728 383 3HD1 LEU 44 HD13 LEU 44 -2.428 5.089 -6.785 384 1HD2 LEU 44 HD21 LEU 44 -2.545 6.153 -9.669 385 2HD2 LEU 44 HD22 LEU 44 -1.291 5.108 -10.340 386 3HD2 LEU 44 HD23 LEU 44 -1.050 5.881 -8.772 387 H TYR 45 HN TYR 45 1.786 2.959 -9.818 388 HA TYR 45 HA TYR 45 2.537 0.461 -8.472 389 1HB TYR 45 HB2 TYR 45 3.751 1.994 -10.676 390 2HB TYR 45 HB1 TYR 45 4.892 1.420 -9.463 391 HD1 TYR 45 HD1 TYR 45 2.468 0.389 -12.039 392 HD2 TYR 45 HD2 TYR 45 5.328 -0.926 -9.175 393 HE1 TYR 45 HE1 TYR 45 2.454 -1.855 -13.056 394 HE2 TYR 45 HE2 TYR 45 5.324 -3.161 -10.183 395 HH TYR 45 HH TYR 45 3.896 -3.830 -13.201 396 H VAL 46 HN VAL 46 2.639 0.838 -6.389 397 HA VAL 46 HA VAL 46 3.754 3.370 -5.423 398 HB VAL 46 HB VAL 46 2.757 2.846 -3.284 399 1HG1 VAL 46 HG11 VAL 46 0.833 2.303 -5.542 400 2HG1 VAL 46 HG12 VAL 46 1.318 3.889 -4.941 401 3HG1 VAL 46 HG13 VAL 46 0.386 2.802 -3.911 402 1HG2 VAL 46 HG21 VAL 46 1.437 0.812 -2.922 403 2HG2 VAL 46 HG22 VAL 46 3.131 0.440 -3.248 404 3HG2 VAL 46 HG23 VAL 46 1.921 0.219 -4.512 405 H GLY 47 HN GLY 47 5.290 3.296 -3.602 406 1HA GLY 47 HA2 GLY 47 6.546 1.012 -2.665 407 2HA GLY 47 HA1 GLY 47 7.397 1.468 -4.133 408 H VAL 48 HN VAL 48 9.288 1.975 -3.134 409 HA VAL 48 HA VAL 48 10.848 3.291 -2.139 410 HB VAL 48 HB VAL 48 8.578 5.240 -1.700 411 1HG1 VAL 48 HG11 VAL 48 10.322 6.907 -1.290 412 2HG1 VAL 48 HG12 VAL 48 11.551 5.647 -1.399 413 3HG1 VAL 48 HG13 VAL 48 10.370 5.615 -0.089 414 1HG2 VAL 48 HG21 VAL 48 10.751 5.154 -3.787 415 2HG2 VAL 48 HG22 VAL 48 9.589 6.463 -3.578 416 3HG2 VAL 48 HG23 VAL 48 9.033 4.857 -4.054 417 HA PRO 49 HA PRO 49 10.732 1.517 1.951 418 1HB PRO 49 HB2 PRO 49 12.716 3.734 2.304 419 2HB PRO 49 HB1 PRO 49 12.806 2.053 2.846 420 1HG PRO 49 HG2 PRO 49 14.126 2.838 0.675 421 2HG PRO 49 HG1 PRO 49 13.326 1.257 0.731 422 1HD PRO 49 HD2 PRO 49 12.548 3.715 -0.738 423 2HD PRO 49 HD1 PRO 49 12.229 2.017 -1.129 424 H THR 50 HN THR 50 8.956 1.988 3.077 425 HA THR 50 HA THR 50 8.737 4.606 4.354 426 HB THR 50 HB THR 50 6.161 4.274 3.897 427 HG1 THR 50 HG1 THR 50 7.230 3.117 1.531 428 1HG2 THR 50 HG21 THR 50 7.444 6.214 3.150 429 2HG2 THR 50 HG22 THR 50 6.353 5.668 1.876 430 3HG2 THR 50 HG23 THR 50 8.073 5.289 1.786 431 H LYS 51 HN LYS 51 6.924 4.516 6.072 432 HA LYS 51 HA LYS 51 7.350 2.045 7.593 433 1HB LYS 51 HB2 LYS 51 6.714 3.284 9.548 434 2HB LYS 51 HB1 LYS 51 7.825 4.292 8.631 435 1HG LYS 51 HG2 LYS 51 6.075 5.683 7.853 436 2HG LYS 51 HG1 LYS 51 4.839 4.564 8.425 437 1HD LYS 51 HD2 LYS 51 4.893 6.359 9.972 438 2HD LYS 51 HD1 LYS 51 5.687 4.996 10.758 439 1HE LYS 51 HE2 LYS 51 6.923 7.043 11.162 440 2HE LYS 51 HE1 LYS 51 7.872 5.942 10.166 441 1HZ LYS 51 HZ1 LYS 51 6.207 8.048 8.932 442 2HZ LYS 51 HZ2 LYS 51 7.557 7.239 8.289 443 3HZ LYS 51 HZ3 LYS 51 7.763 8.398 9.510 444 H SER 52 HN SER 52 5.415 1.446 9.056 445 HA SER 52 HA SER 52 3.164 0.824 7.451 446 1HB SER 52 HB2 SER 52 2.233 0.277 9.885 447 2HB SER 52 HB1 SER 52 3.446 -0.749 9.114 448 HG SER 52 HG SER 52 3.801 1.234 11.109 449 H GLY 53 HN GLY 53 1.542 2.094 6.927 450 1HA GLY 53 HA2 GLY 53 -0.285 3.517 7.509 451 2HA GLY 53 HA1 GLY 53 0.691 4.186 8.811 452 H ASN 54 HN ASN 54 1.946 3.648 5.595 453 HA ASN 54 HA ASN 54 2.413 6.523 5.364 454 1HB ASN 54 HB2 ASN 54 3.848 6.003 3.463 455 2HB ASN 54 HB1 ASN 54 4.288 5.007 4.843 456 1HD2 ASN 54 HD21 ASN 54 4.060 2.815 4.729 457 2HD2 ASN 54 HD22 ASN 54 3.678 1.988 3.260 458 H VAL 55 HN VAL 55 1.399 7.852 3.969 459 HA VAL 55 HA VAL 55 -1.038 6.799 2.803 460 HB VAL 55 HB VAL 55 -0.055 9.658 2.917 461 1HG1 VAL 55 HG11 VAL 55 -1.680 9.304 1.141 462 2HG1 VAL 55 HG12 VAL 55 -2.388 10.252 2.450 463 3HG1 VAL 55 HG13 VAL 55 -2.783 8.540 2.285 464 1HG2 VAL 55 HG21 VAL 55 -1.996 8.197 4.702 465 2HG2 VAL 55 HG22 VAL 55 -1.648 9.925 4.763 466 3HG2 VAL 55 HG23 VAL 55 -0.383 8.757 5.148 467 H VAL 56 HN VAL 56 -1.276 6.313 0.732 468 HA VAL 56 HA VAL 56 0.762 7.143 -1.197 469 HB VAL 56 HB VAL 56 -1.593 5.277 -1.573 470 1HG1 VAL 56 HG11 VAL 56 -0.850 6.294 -3.660 471 2HG1 VAL 56 HG12 VAL 56 -0.435 4.581 -3.613 472 3HG1 VAL 56 HG13 VAL 56 0.809 5.798 -3.322 473 1HG2 VAL 56 HG21 VAL 56 0.037 3.472 -1.452 474 2HG2 VAL 56 HG22 VAL 56 0.023 4.405 0.046 475 3HG2 VAL 56 HG23 VAL 56 1.318 4.638 -1.128 476 H CYS 57 HN CYS 57 -2.734 6.722 -1.571 477 HA CYS 57 HA CYS 57 -2.836 9.372 -2.835 478 1HB CYS 57 HB2 CYS 57 -4.568 6.958 -3.413 479 2HB CYS 57 HB1 CYS 57 -4.698 8.527 -4.199 480 HG CYS 57 HG CYS 57 -2.855 8.183 -5.980 481 H LYS 58 HN LYS 58 -3.460 10.603 -1.148 482 HA LYS 58 HA LYS 58 -5.623 9.842 0.588 483 1HB LYS 58 HB2 LYS 58 -3.802 11.288 1.404 484 2HB LYS 58 HB1 LYS 58 -4.239 12.510 0.219 485 1HG LYS 58 HG2 LYS 58 -6.384 12.832 1.294 486 2HG LYS 58 HG1 LYS 58 -6.018 11.547 2.445 487 1HD LYS 58 HD2 LYS 58 -4.106 12.854 3.268 488 2HD LYS 58 HD1 LYS 58 -4.520 14.148 2.142 489 1HE LYS 58 HE2 LYS 58 -6.702 14.391 3.240 490 2HE LYS 58 HE1 LYS 58 -6.269 13.110 4.371 491 1HZ LYS 58 HZ1 LYS 58 -4.405 14.497 5.120 492 2HZ LYS 58 HZ2 LYS 58 -5.907 15.247 5.374 493 3HZ LYS 58 HZ3 LYS 58 -4.920 15.741 4.086 494 H ASN 59 HN ASN 59 -7.736 10.220 0.272 495 HA ASN 59 HA ASN 59 -9.687 10.839 -0.733 496 1HB ASN 59 HB2 ASN 59 -8.656 13.159 -0.213 497 2HB ASN 59 HB1 ASN 59 -8.247 13.215 -1.923 498 1HD2 ASN 59 HD21 ASN 59 -10.750 13.405 0.436 499 2HD2 ASN 59 HD22 ASN 59 -12.016 13.897 -0.639 500 H ILE 60 HN ILE 60 -8.201 8.948 -1.968 501 HA ILE 60 HA ILE 60 -7.190 9.366 -4.511 502 HB ILE 60 HB ILE 60 -6.670 7.345 -3.403 503 1HG1 ILE 60 HG12 ILE 60 -8.468 6.689 -5.744 504 2HG1 ILE 60 HG11 ILE 60 -6.780 7.178 -5.846 505 1HG2 ILE 60 HG21 ILE 60 -8.305 5.613 -2.858 506 2HG2 ILE 60 HG22 ILE 60 -9.603 6.659 -3.430 507 3HG2 ILE 60 HG23 ILE 60 -8.651 7.127 -2.021 508 1HD1 ILE 60 HD11 ILE 60 -7.809 4.660 -4.554 509 2HD1 ILE 60 HD12 ILE 60 -6.117 5.146 -4.668 510 3HD1 ILE 60 HD13 ILE 60 -7.032 4.777 -6.133 511 H MET 61 HN MET 61 -10.461 8.261 -3.658 512 HA MET 61 HA MET 61 -11.285 8.906 -6.408 513 1HB MET 61 HB2 MET 61 -12.439 6.889 -4.475 514 2HB MET 61 HB1 MET 61 -13.129 7.273 -6.044 515 1HG MET 61 HG2 MET 61 -11.136 6.459 -7.150 516 2HG MET 61 HG1 MET 61 -10.383 6.131 -5.591 517 1HE MET 61 HE1 MET 61 -13.356 5.224 -7.984 518 2HE MET 61 HE2 MET 61 -14.165 5.585 -6.460 519 3HE MET 61 HE3 MET 61 -14.153 3.935 -7.084 520 H ASN 62 HN ASN 62 -11.060 10.749 -4.203 521 HA ASN 62 HA ASN 62 -12.188 12.473 -3.240 522 1HB ASN 62 HB2 ASN 62 -14.408 11.640 -5.126 523 2HB ASN 62 HB1 ASN 62 -14.346 13.158 -4.237 524 1HD2 ASN 62 HD21 ASN 62 -12.928 14.757 -4.890 525 2HD2 ASN 62 HD22 ASN 62 -12.133 14.726 -6.433 526 H THR 63 HN THR 63 -12.372 9.721 -2.226 527 HA THR 63 HA THR 63 -15.044 9.409 -1.165 528 HB THR 63 HB THR 63 -14.122 7.314 -0.194 529 HG1 THR 63 HG1 THR 63 -11.978 6.797 -0.544 530 1HG2 THR 63 HG21 THR 63 -13.414 7.713 -3.102 531 2HG2 THR 63 HG22 THR 63 -15.031 7.357 -2.491 532 3HG2 THR 63 HG23 THR 63 -13.737 6.170 -2.309 533 H GLY 64 HN GLY 64 -12.065 10.772 -0.165 534 1HA GLY 64 HA2 GLY 64 -11.623 11.909 1.832 535 2HA GLY 64 HA1 GLY 64 -13.079 11.203 2.524 536 H VAL 65 HN VAL 65 -11.459 8.760 1.037 537 HA VAL 65 HA VAL 65 -10.338 7.800 3.542 538 HB VAL 65 HB VAL 65 -10.782 6.463 0.870 539 1HG1 VAL 65 HG11 VAL 65 -8.671 5.632 1.732 540 2HG1 VAL 65 HG12 VAL 65 -9.918 4.396 1.901 541 3HG1 VAL 65 HG13 VAL 65 -9.406 5.330 3.307 542 1HG2 VAL 65 HG21 VAL 65 -11.847 5.885 3.628 543 2HG2 VAL 65 HG22 VAL 65 -12.254 5.014 2.150 544 3HG2 VAL 65 HG23 VAL 65 -12.731 6.703 2.338 545 H ASP 66 HN ASP 66 -8.272 7.850 4.025 546 HA ASP 66 HA ASP 66 -6.298 8.580 1.999 547 1HB ASP 66 HB2 ASP 66 -5.529 8.069 4.837 548 2HB ASP 66 HB1 ASP 66 -4.951 9.309 3.728 549 H ILE 67 HN ILE 67 -5.586 6.863 0.870 550 HA ILE 67 HA ILE 67 -5.602 4.202 1.955 551 HB ILE 67 HB ILE 67 -4.430 5.252 -0.633 552 1HG1 ILE 67 HG12 ILE 67 -6.867 5.497 -0.493 553 2HG1 ILE 67 HG11 ILE 67 -6.428 4.267 -1.674 554 1HG2 ILE 67 HG21 ILE 67 -4.364 2.913 -1.360 555 2HG2 ILE 67 HG22 ILE 67 -4.895 2.400 0.242 556 3HG2 ILE 67 HG23 ILE 67 -3.329 3.184 0.043 557 1HD1 ILE 67 HD11 ILE 67 -6.965 2.523 -0.059 558 2HD1 ILE 67 HD12 ILE 67 -8.342 3.583 -0.347 559 3HD1 ILE 67 HD13 ILE 67 -7.396 3.751 1.131 560 H ILE 68 HN ILE 68 -4.063 3.305 3.135 561 HA ILE 68 HA ILE 68 -1.357 4.453 3.039 562 HB ILE 68 HB ILE 68 -1.165 4.083 5.478 563 1HG1 ILE 68 HG12 ILE 68 -4.151 3.585 5.360 564 2HG1 ILE 68 HG11 ILE 68 -2.929 2.362 5.696 565 1HG2 ILE 68 HG21 ILE 68 -1.671 6.298 4.665 566 2HG2 ILE 68 HG22 ILE 68 -2.550 6.005 6.167 567 3HG2 ILE 68 HG23 ILE 68 -3.393 5.921 4.620 568 1HD1 ILE 68 HD11 ILE 68 -3.498 4.787 7.386 569 2HD1 ILE 68 HD12 ILE 68 -2.299 3.540 7.726 570 3HD1 ILE 68 HD13 ILE 68 -4.015 3.135 7.731 571 H CYS 69 HN CYS 69 0.290 3.026 2.984 572 HA CYS 69 HA CYS 69 -0.345 0.184 2.918 573 1HB CYS 69 HB2 CYS 69 2.435 1.318 2.757 574 2HB CYS 69 HB1 CYS 69 1.798 -0.153 2.030 575 HG CYS 69 HG CYS 69 1.967 2.914 0.792 576 H THR 70 HN THR 70 0.100 -1.234 4.551 577 HA THR 70 HA THR 70 1.067 0.003 7.034 578 HB THR 70 HB THR 70 -1.214 -1.035 7.028 579 HG1 THR 70 HG1 THR 70 0.717 -2.268 8.736 580 1HG2 THR 70 HG21 THR 70 -0.751 -2.899 5.498 581 2HG2 THR 70 HG22 THR 70 -1.428 -3.470 7.023 582 3HG2 THR 70 HG23 THR 70 0.298 -3.633 6.710 583 H LYS 71 HN LYS 71 2.376 -1.572 4.612 584 HA LYS 71 HA LYS 71 4.018 -3.419 6.175 585 1HB LYS 71 HB2 LYS 71 3.195 -4.303 4.100 586 2HB LYS 71 HB1 LYS 71 3.743 -2.890 3.214 587 1HG LYS 71 HG2 LYS 71 5.371 -4.368 2.641 588 2HG LYS 71 HG1 LYS 71 6.102 -3.680 4.087 589 1HD LYS 71 HD2 LYS 71 4.423 -6.173 4.165 590 2HD LYS 71 HD1 LYS 71 6.154 -6.216 3.840 591 1HE LYS 71 HE2 LYS 71 6.467 -4.963 6.005 592 2HE LYS 71 HE1 LYS 71 4.762 -5.265 6.331 593 1HZ LYS 71 HZ1 LYS 71 6.836 -7.347 5.884 594 2HZ LYS 71 HZ2 LYS 71 5.194 -7.647 6.185 595 3HZ LYS 71 HZ3 LYS 71 6.157 -6.924 7.382 596 H ASN 72 HN ASN 72 6.070 -2.958 6.731 597 HA ASN 72 HA ASN 72 7.162 -0.367 5.993 598 1HB ASN 72 HB2 ASN 72 8.237 -2.548 7.803 599 2HB ASN 72 HB1 ASN 72 9.052 -1.017 7.514 600 1HD2 ASN 72 HD21 ASN 72 5.595 -1.507 7.903 601 2HD2 ASN 72 HD22 ASN 72 5.443 -0.625 9.383 602 H LEU 73 HN LEU 73 8.605 -0.053 4.420 603 HA LEU 73 HA LEU 73 9.451 -2.431 2.936 604 1HB LEU 73 HB2 LEU 73 9.374 0.483 2.181 605 2HB LEU 73 HB1 LEU 73 10.164 -0.723 1.192 606 HG LEU 73 HG LEU 73 7.927 -1.925 1.095 607 1HD1 LEU 73 HD11 LEU 73 6.939 0.735 2.106 608 2HD1 LEU 73 HD12 LEU 73 6.854 -0.797 2.975 609 3HD1 LEU 73 HD13 LEU 73 5.938 -0.576 1.483 610 1HD2 LEU 73 HD21 LEU 73 8.160 0.818 -0.125 611 2HD2 LEU 73 HD22 LEU 73 7.094 -0.473 -0.679 612 3HD2 LEU 73 HD23 LEU 73 8.843 -0.673 -0.774 613 HA PRO 74 HA PRO 74 13.514 -1.623 4.666 614 1HB PRO 74 HB2 PRO 74 14.373 -4.159 4.623 615 2HB PRO 74 HB1 PRO 74 13.191 -3.605 5.812 616 1HG PRO 74 HG2 PRO 74 12.795 -5.259 3.380 617 2HG PRO 74 HG1 PRO 74 11.921 -5.292 4.920 618 1HD PRO 74 HD2 PRO 74 11.103 -4.023 2.530 619 2HD PRO 74 HD1 PRO 74 10.358 -3.857 4.129 620 H LYS 75 HN LYS 75 15.361 -1.129 3.670 621 HA LYS 75 HA LYS 75 15.840 -2.184 0.958 622 1HB LYS 75 HB2 LYS 75 15.281 0.265 1.096 623 2HB LYS 75 HB1 LYS 75 16.716 0.489 2.083 624 1HG LYS 75 HG2 LYS 75 18.139 -0.131 0.253 625 2HG LYS 75 HG1 LYS 75 16.742 -0.566 -0.737 626 1HD LYS 75 HD2 LYS 75 15.972 1.765 -0.649 627 2HD LYS 75 HD1 LYS 75 17.386 2.190 0.316 628 1HE LYS 75 HE2 LYS 75 17.492 1.035 -2.469 629 2HE LYS 75 HE1 LYS 75 17.599 2.757 -2.098 630 1HZ LYS 75 HZ1 LYS 75 19.520 0.614 -1.386 631 2HZ LYS 75 HZ2 LYS 75 19.556 2.141 -0.659 632 3HZ LYS 75 HZ3 LYS 75 19.794 1.995 -2.330 633 H ASP 76 HN ASP 76 18.118 -2.502 0.406 634 HA ASP 76 HA ASP 76 19.569 -3.898 2.322 635 1HB ASP 76 HB2 ASP 76 20.505 -2.577 -0.229 636 2HB ASP 76 HB1 ASP 76 21.531 -3.614 0.757 637 H SER 77 HN SER 77 20.302 -3.098 4.162 638 HA SER 77 HA SER 77 21.742 -0.539 4.100 639 1HB SER 77 HB2 SER 77 19.939 -1.482 6.342 640 2HB SER 77 HB1 SER 77 20.763 0.073 6.231 641 HG SER 77 HG SER 77 18.753 -0.884 4.457 642 H LEU 78 HN LEU 78 23.738 -1.455 4.087 643 HA LEU 78 HA LEU 78 25.684 -2.157 4.983 644 1HB LEU 78 HB2 LEU 78 25.069 -0.757 6.875 645 2HB LEU 78 HB1 LEU 78 24.156 -2.078 7.580 646 HG LEU 78 HG LEU 78 26.228 -3.362 7.873 647 1HD1 LEU 78 HD11 LEU 78 27.598 -0.890 6.824 648 2HD1 LEU 78 HD12 LEU 78 27.504 -2.451 6.009 649 3HD1 LEU 78 HD13 LEU 78 28.395 -2.299 7.524 650 1HD2 LEU 78 HD21 LEU 78 26.345 -0.579 9.026 651 2HD2 LEU 78 HD22 LEU 78 27.190 -1.995 9.651 652 3HD2 LEU 78 HD23 LEU 78 25.428 -1.938 9.677 653 H GLU 79 HN GLU 79 26.308 -4.089 4.335 654 HA GLU 79 HA GLU 79 24.960 -6.512 5.056 655 1HB GLU 79 HB2 GLU 79 27.360 -5.800 3.445 656 2HB GLU 79 HB1 GLU 79 27.221 -7.453 4.031 657 1HG GLU 79 HG2 GLU 79 25.100 -6.039 2.437 658 2HG GLU 79 HG1 GLU 79 26.329 -7.101 1.746 659 H HIS 80 HN HIS 80 25.379 -5.469 7.401 660 HA HIS 80 HA HIS 80 27.592 -7.051 8.540 661 1HB HIS 80 HB2 HIS 80 27.834 -4.666 9.043 662 2HB HIS 80 HB1 HIS 80 26.198 -4.616 9.686 663 HD1 HIS 80 HD1 HIS 80 26.184 -4.592 12.149 664 HD2 HIS 80 HD2 HIS 80 29.411 -6.749 10.654 665 HE1 HIS 80 HE1 HIS 80 27.453 -5.396 14.163 666 HE2 HIS 80 HE2 HIS 80 29.519 -6.493 13.230 667 H HIS 81 HN HIS 81 24.239 -6.034 8.908 668 HA HIS 81 HA HIS 81 22.383 -7.100 9.629 669 1HB HIS 81 HB2 HIS 81 24.156 -9.547 9.497 670 2HB HIS 81 HB1 HIS 81 22.430 -9.599 9.833 671 HD1 HIS 81 HD1 HIS 81 20.945 -9.824 7.856 672 HD2 HIS 81 HD2 HIS 81 24.728 -8.425 6.831 673 HE1 HIS 81 HE1 HIS 81 20.980 -9.733 5.339 674 HE2 HIS 81 HE2 HIS 81 23.218 -8.717 4.747 675 H HIS 82 HN HIS 82 21.424 -8.260 11.475 676 HA HIS 82 HA HIS 82 23.119 -8.841 13.728 677 1HB HIS 82 HB2 HIS 82 21.772 -7.409 15.307 678 2HB HIS 82 HB1 HIS 82 22.825 -6.517 14.222 679 HD1 HIS 82 HD1 HIS 82 21.695 -5.014 12.435 680 HD2 HIS 82 HD2 HIS 82 19.030 -6.952 14.980 681 HE1 HIS 82 HE1 HIS 82 19.485 -3.865 12.110 682 HE2 HIS 82 HE2 HIS 82 17.921 -4.956 13.755 683 H HIS 83 HN HIS 83 22.477 -10.885 13.835 684 HA HIS 83 HA HIS 83 19.580 -11.390 14.125 685 1HB HIS 83 HB2 HIS 83 20.650 -12.286 11.999 686 2HB HIS 83 HB1 HIS 83 21.601 -13.353 13.023 687 HD1 HIS 83 HD1 HIS 83 20.142 -15.129 14.480 688 HD2 HIS 83 HD2 HIS 83 18.170 -13.201 11.360 689 HE1 HIS 83 HE1 HIS 83 18.084 -16.500 14.018 690 HE2 HIS 83 HE2 HIS 83 16.874 -15.291 12.169 691 H HIS 84 HN HIS 84 19.205 -11.758 16.203 692 HA HIS 84 HA HIS 84 20.926 -13.704 17.565 693 1HB HIS 84 HB2 HIS 84 21.624 -11.530 18.396 694 2HB HIS 84 HB1 HIS 84 19.955 -11.090 18.741 695 HD1 HIS 84 HD1 HIS 84 22.074 -14.117 19.729 696 HD2 HIS 84 HD2 HIS 84 19.617 -11.210 21.411 697 HE1 HIS 84 HE1 HIS 84 21.951 -14.666 22.176 698 HE2 HIS 84 HE2 HIS 84 20.399 -12.948 23.170 699 H HIS 85 HN HIS 85 19.378 -15.271 17.172 700 HA HIS 85 HA HIS 85 17.389 -15.436 19.221 701 1HB HIS 85 HB2 HIS 85 16.284 -14.109 17.309 702 2HB HIS 85 HB1 HIS 85 16.323 -15.621 16.406 703 HD1 HIS 85 HD1 HIS 85 14.483 -13.819 19.029 704 HD2 HIS 85 HD2 HIS 85 14.671 -17.697 17.534 705 HE1 HIS 85 HE1 HIS 85 12.459 -15.000 19.945 706 HE2 HIS 85 HE2 HIS 85 12.701 -17.389 19.188 Start of MODEL 13 1 1H MET 1 HT1 MET 1 -24.229 -0.673 1.962 2 2H MET 1 HT2 MET 1 -23.124 -1.886 1.558 3 3H MET 1 HT3 MET 1 -22.715 -0.726 2.718 4 HA MET 1 HA MET 1 -24.433 -1.540 4.187 5 1HB MET 1 HB2 MET 1 -25.668 -3.565 3.665 6 2HB MET 1 HB1 MET 1 -25.955 -2.363 2.420 7 1HG MET 1 HG2 MET 1 -24.039 -4.674 2.177 8 2HG MET 1 HG1 MET 1 -25.679 -4.643 1.536 9 1HE MET 1 HE1 MET 1 -25.973 -1.692 0.441 10 2HE MET 1 HE2 MET 1 -26.467 -3.121 -0.465 11 3HE MET 1 HE3 MET 1 -25.452 -1.899 -1.229 12 H HIS 2 HN HIS 2 -23.427 -2.446 5.832 13 HA HIS 2 HA HIS 2 -21.719 -3.328 7.027 14 1HB HIS 2 HB2 HIS 2 -22.262 -5.561 5.083 15 2HB HIS 2 HB1 HIS 2 -21.063 -5.713 6.363 16 HD1 HIS 2 HD1 HIS 2 -21.993 -5.560 8.853 17 HD2 HIS 2 HD2 HIS 2 -24.866 -5.933 5.868 18 HE1 HIS 2 HE1 HIS 2 -24.103 -6.258 10.023 19 HE2 HIS 2 HE2 HIS 2 -25.872 -6.252 8.232 20 H LYS 3 HN LYS 3 -20.253 -1.721 6.442 21 HA LYS 3 HA LYS 3 -18.581 -1.997 4.137 22 1HB LYS 3 HB2 LYS 3 -18.359 -0.162 6.526 23 2HB LYS 3 HB1 LYS 3 -17.392 -0.036 5.060 24 1HG LYS 3 HG2 LYS 3 -19.481 0.291 3.770 25 2HG LYS 3 HG1 LYS 3 -20.374 0.293 5.293 26 1HD LYS 3 HD2 LYS 3 -19.094 2.235 6.042 27 2HD LYS 3 HD1 LYS 3 -18.186 2.224 4.529 28 1HE LYS 3 HE2 LYS 3 -20.323 2.553 3.308 29 2HE LYS 3 HE1 LYS 3 -21.145 2.700 4.861 30 1HZ LYS 3 HZ1 LYS 3 -19.789 4.620 5.374 31 2HZ LYS 3 HZ2 LYS 3 -20.608 4.863 3.908 32 3HZ LYS 3 HZ3 LYS 3 -18.958 4.467 3.902 33 H ASP 4 HN ASP 4 -16.221 -2.052 4.263 34 HA ASP 4 HA ASP 4 -15.189 -3.556 6.560 35 1HB ASP 4 HB2 ASP 4 -15.904 -5.151 4.744 36 2HB ASP 4 HB1 ASP 4 -14.719 -4.393 3.688 37 H ILE 5 HN ILE 5 -12.922 -3.348 6.849 38 HA ILE 5 HA ILE 5 -11.779 -0.959 5.782 39 HB ILE 5 HB ILE 5 -10.547 -3.188 7.410 40 1HG1 ILE 5 HG12 ILE 5 -12.249 -1.818 8.561 41 2HG1 ILE 5 HG11 ILE 5 -10.643 -1.573 9.241 42 1HG2 ILE 5 HG21 ILE 5 -9.345 -0.549 6.584 43 2HG2 ILE 5 HG22 ILE 5 -8.820 -2.149 6.061 44 3HG2 ILE 5 HG23 ILE 5 -8.640 -1.671 7.749 45 1HD1 ILE 5 HD11 ILE 5 -10.441 0.507 7.952 46 2HD1 ILE 5 HD12 ILE 5 -11.812 0.531 9.060 47 3HD1 ILE 5 HD13 ILE 5 -12.075 0.265 7.336 48 H PHE 6 HN PHE 6 -11.171 -0.837 3.755 49 HA PHE 6 HA PHE 6 -10.771 -3.010 2.042 50 1HB PHE 6 HB2 PHE 6 -11.372 -0.856 1.140 51 2HB PHE 6 HB1 PHE 6 -9.919 -0.117 1.803 52 HD1 PHE 6 HD1 PHE 6 -11.096 -2.615 -0.672 53 HD2 PHE 6 HD2 PHE 6 -7.954 -0.025 0.561 54 HE1 PHE 6 HE1 PHE 6 -9.904 -3.063 -2.776 55 HE2 PHE 6 HE2 PHE 6 -6.759 -0.465 -1.541 56 HZ PHE 6 HZ PHE 6 -7.735 -1.988 -3.212 57 H THR 7 HN THR 7 -9.278 -4.476 2.698 58 HA THR 7 HA THR 7 -6.508 -3.503 2.926 59 HB THR 7 HB THR 7 -7.605 -6.155 3.907 60 HG1 THR 7 HG1 THR 7 -8.363 -4.053 4.937 61 1HG2 THR 7 HG21 THR 7 -5.014 -4.703 4.475 62 2HG2 THR 7 HG22 THR 7 -5.198 -6.158 3.493 63 3HG2 THR 7 HG23 THR 7 -5.528 -6.216 5.224 64 H SER 8 HN SER 8 -5.243 -3.966 1.227 65 HA SER 8 HA SER 8 -5.662 -6.356 -0.367 66 1HB SER 8 HB2 SER 8 -5.993 -3.591 -1.563 67 2HB SER 8 HB1 SER 8 -5.935 -5.099 -2.477 68 HG SER 8 HG SER 8 -7.761 -5.291 -0.512 69 H VAL 9 HN VAL 9 -4.192 -5.424 -2.622 70 HA VAL 9 HA VAL 9 -1.594 -4.746 -1.434 71 HB VAL 9 HB VAL 9 -1.638 -7.156 -1.887 72 1HG1 VAL 9 HG11 VAL 9 -3.293 -7.247 -3.641 73 2HG1 VAL 9 HG12 VAL 9 -1.793 -7.986 -4.201 74 3HG1 VAL 9 HG13 VAL 9 -2.229 -6.363 -4.734 75 1HG2 VAL 9 HG21 VAL 9 0.106 -5.619 -3.806 76 2HG2 VAL 9 HG22 VAL 9 0.348 -7.300 -3.324 77 3HG2 VAL 9 HG23 VAL 9 0.479 -6.009 -2.126 78 H VAL 10 HN VAL 10 -0.404 -3.276 -2.530 79 HA VAL 10 HA VAL 10 -1.441 -2.367 -5.130 80 HB VAL 10 HB VAL 10 -1.401 -0.611 -3.387 81 1HG1 VAL 10 HG11 VAL 10 0.466 -1.435 -2.060 82 2HG1 VAL 10 HG12 VAL 10 0.715 0.247 -2.528 83 3HG1 VAL 10 HG13 VAL 10 1.581 -1.039 -3.368 84 1HG2 VAL 10 HG21 VAL 10 -0.166 1.090 -4.665 85 2HG2 VAL 10 HG22 VAL 10 -1.142 0.051 -5.703 86 3HG2 VAL 10 HG23 VAL 10 0.602 -0.192 -5.601 87 H ARG 11 HN ARG 11 0.009 -2.184 -6.869 88 HA ARG 11 HA ARG 11 2.253 -3.983 -6.649 89 1HB ARG 11 HB2 ARG 11 1.080 -2.496 -9.003 90 2HB ARG 11 HB1 ARG 11 2.488 -3.549 -9.121 91 1HG ARG 11 HG2 ARG 11 1.147 -5.419 -8.272 92 2HG ARG 11 HG1 ARG 11 -0.261 -4.363 -8.205 93 1HD ARG 11 HD2 ARG 11 -0.188 -4.072 -10.611 94 2HD ARG 11 HD1 ARG 11 1.283 -5.043 -10.705 95 HE ARG 11 HE ARG 11 -0.351 -6.785 -9.562 96 1HH1 ARG 11 HH11 ARG 11 -1.002 -4.606 -12.221 97 2HH1 ARG 11 HH12 ARG 11 -2.144 -5.673 -12.979 98 1HH2 ARG 11 HH21 ARG 11 -1.853 -8.174 -10.534 99 2HH2 ARG 11 HH22 ARG 11 -2.633 -7.708 -12.024 100 H VAL 12 HN VAL 12 4.356 -3.502 -6.764 101 HA VAL 12 HA VAL 12 4.985 -0.677 -6.241 102 HB VAL 12 HB VAL 12 5.964 -3.214 -4.935 103 1HG1 VAL 12 HG11 VAL 12 7.496 -1.844 -3.610 104 2HG1 VAL 12 HG12 VAL 12 7.102 -0.449 -4.613 105 3HG1 VAL 12 HG13 VAL 12 7.916 -1.844 -5.321 106 1HG2 VAL 12 HG21 VAL 12 5.197 -2.102 -2.886 107 2HG2 VAL 12 HG22 VAL 12 3.896 -2.305 -4.060 108 3HG2 VAL 12 HG23 VAL 12 4.654 -0.726 -3.848 109 H ARG 13 HN ARG 13 7.008 0.119 -6.941 110 HA ARG 13 HA ARG 13 8.331 -1.602 -8.928 111 1HB ARG 13 HB2 ARG 13 7.387 0.726 -9.571 112 2HB ARG 13 HB1 ARG 13 8.785 1.362 -8.710 113 1HG ARG 13 HG2 ARG 13 10.298 0.312 -10.200 114 2HG ARG 13 HG1 ARG 13 9.015 -0.656 -10.926 115 1HD ARG 13 HD2 ARG 13 9.529 1.097 -12.449 116 2HD ARG 13 HD1 ARG 13 7.971 1.475 -11.716 117 HE ARG 13 HE ARG 13 10.193 2.690 -10.354 118 1HH1 ARG 13 HH11 ARG 13 7.998 3.008 -13.063 119 2HH1 ARG 13 HH12 ARG 13 8.097 4.737 -13.124 120 1HH2 ARG 13 HH21 ARG 13 10.353 4.974 -10.431 121 2HH2 ARG 13 HH22 ARG 13 9.449 5.860 -11.624 122 H GLY 14 HN GLY 14 10.544 -1.835 -8.890 123 1HA GLY 14 HA2 GLY 14 11.645 -2.069 -6.301 124 2HA GLY 14 HA1 GLY 14 12.454 -2.434 -7.813 125 H SER 15 HN SER 15 11.280 0.541 -6.204 126 HA SER 15 HA SER 15 13.869 1.811 -6.571 127 1HB SER 15 HB2 SER 15 11.531 2.715 -4.855 128 2HB SER 15 HB1 SER 15 12.875 3.707 -5.431 129 HG SER 15 HG SER 15 10.854 3.878 -6.660 130 H LYS 16 HN LYS 16 12.813 -0.607 -4.896 131 HA LYS 16 HA LYS 16 14.856 -0.591 -2.917 132 1HB LYS 16 HB2 LYS 16 13.050 -1.192 -1.110 133 2HB LYS 16 HB1 LYS 16 13.446 0.489 -1.423 134 1HG LYS 16 HG2 LYS 16 11.069 0.219 -1.192 135 2HG LYS 16 HG1 LYS 16 11.467 0.690 -2.841 136 1HD LYS 16 HD2 LYS 16 10.721 -1.262 -3.724 137 2HD LYS 16 HD1 LYS 16 11.254 -2.213 -2.325 138 1HE LYS 16 HE2 LYS 16 8.790 -2.104 -2.551 139 2HE LYS 16 HE1 LYS 16 9.380 -1.450 -1.023 140 1HZ LYS 16 HZ1 LYS 16 9.247 0.791 -2.100 141 2HZ LYS 16 HZ2 LYS 16 7.756 0.041 -1.838 142 3HZ LYS 16 HZ3 LYS 16 8.432 0.059 -3.390 143 H LYS 17 HN LYS 17 14.218 -2.830 -1.492 144 HA LYS 17 HA LYS 17 14.138 -4.740 -3.702 145 1HB LYS 17 HB2 LYS 17 15.957 -4.596 -1.811 146 2HB LYS 17 HB1 LYS 17 14.785 -5.534 -0.895 147 1HG LYS 17 HG2 LYS 17 14.774 -7.203 -2.749 148 2HG LYS 17 HG1 LYS 17 16.095 -6.302 -3.496 149 1HD LYS 17 HD2 LYS 17 17.107 -8.061 -2.282 150 2HD LYS 17 HD1 LYS 17 17.349 -6.603 -1.316 151 1HE LYS 17 HE2 LYS 17 16.683 -8.342 0.169 152 2HE LYS 17 HE1 LYS 17 15.318 -7.239 -0.004 153 1HZ LYS 17 HZ1 LYS 17 14.515 -8.847 -1.786 154 2HZ LYS 17 HZ2 LYS 17 14.403 -9.362 -0.176 155 3HZ LYS 17 HZ3 LYS 17 15.654 -9.942 -1.163 156 H TYR 18 HN TYR 18 11.780 -4.441 -3.884 157 HA TYR 18 HA TYR 18 10.424 -6.677 -2.831 158 1HB TYR 18 HB2 TYR 18 10.434 -4.836 -0.907 159 2HB TYR 18 HB1 TYR 18 9.094 -4.187 -1.844 160 HD1 TYR 18 HD1 TYR 18 9.227 -7.687 -2.252 161 HD2 TYR 18 HD2 TYR 18 7.995 -4.682 0.497 162 HE1 TYR 18 HE1 TYR 18 7.727 -9.304 -1.169 163 HE2 TYR 18 HE2 TYR 18 6.485 -6.292 1.585 164 HH TYR 18 HH TYR 18 6.649 -9.648 0.988 165 H ASN 19 HN ASN 19 8.466 -7.039 -3.952 166 HA ASN 19 HA ASN 19 8.258 -5.366 -6.343 167 1HB ASN 19 HB2 ASN 19 7.203 -8.152 -5.845 168 2HB ASN 19 HB1 ASN 19 7.134 -7.289 -7.377 169 1HD2 ASN 19 HD21 ASN 19 9.033 -7.023 -8.577 170 2HD2 ASN 19 HD22 ASN 19 10.455 -7.959 -8.255 171 H VAL 20 HN VAL 20 6.301 -6.555 -3.687 172 HA VAL 20 HA VAL 20 4.187 -4.695 -4.467 173 HB VAL 20 HB VAL 20 2.435 -6.408 -3.899 174 1HG1 VAL 20 HG11 VAL 20 2.847 -5.793 -6.208 175 2HG1 VAL 20 HG12 VAL 20 2.479 -7.514 -6.091 176 3HG1 VAL 20 HG13 VAL 20 4.145 -6.984 -6.317 177 1HG2 VAL 20 HG21 VAL 20 3.022 -8.778 -4.061 178 2HG2 VAL 20 HG22 VAL 20 3.854 -7.999 -2.714 179 3HG2 VAL 20 HG23 VAL 20 4.726 -8.347 -4.207 180 H VAL 21 HN VAL 21 2.604 -4.354 -2.677 181 HA VAL 21 HA VAL 21 3.403 -5.295 -0.054 182 HB VAL 21 HB VAL 21 4.844 -3.280 -0.527 183 1HG1 VAL 21 HG11 VAL 21 3.245 -1.936 -1.763 184 2HG1 VAL 21 HG12 VAL 21 3.845 -1.061 -0.354 185 3HG1 VAL 21 HG13 VAL 21 2.237 -1.786 -0.323 186 1HG2 VAL 21 HG21 VAL 21 4.473 -2.243 1.677 187 2HG2 VAL 21 HG22 VAL 21 4.476 -4.006 1.737 188 3HG2 VAL 21 HG23 VAL 21 2.951 -3.124 1.808 189 HA PRO 22 HA PRO 22 -0.995 -4.888 0.380 190 1HB PRO 22 HB2 PRO 22 -1.251 -5.540 2.974 191 2HB PRO 22 HB1 PRO 22 -0.809 -6.732 1.748 192 1HG PRO 22 HG2 PRO 22 0.919 -5.303 3.716 193 2HG PRO 22 HG1 PRO 22 0.990 -6.990 3.178 194 1HD PRO 22 HD2 PRO 22 2.625 -4.976 2.243 195 2HD PRO 22 HD1 PRO 22 2.264 -6.470 1.356 196 H VAL 23 HN VAL 23 -2.504 -3.455 1.034 197 HA VAL 23 HA VAL 23 -1.682 -1.252 2.806 198 HB VAL 23 HB VAL 23 -2.860 0.351 1.356 199 1HG1 VAL 23 HG11 VAL 23 -0.744 -1.223 -0.105 200 2HG1 VAL 23 HG12 VAL 23 -0.456 0.062 1.069 201 3HG1 VAL 23 HG13 VAL 23 -1.235 0.431 -0.470 202 1HG2 VAL 23 HG21 VAL 23 -4.444 -1.204 0.329 203 2HG2 VAL 23 HG22 VAL 23 -3.126 -1.955 -0.569 204 3HG2 VAL 23 HG23 VAL 23 -3.568 -0.279 -0.890 205 H LYS 24 HN LYS 24 -3.643 0.041 3.504 206 HA LYS 24 HA LYS 24 -6.113 -1.512 3.552 207 1HB LYS 24 HB2 LYS 24 -6.359 -1.103 5.992 208 2HB LYS 24 HB1 LYS 24 -5.025 -2.179 5.602 209 1HG LYS 24 HG2 LYS 24 -3.416 -0.545 6.083 210 2HG LYS 24 HG1 LYS 24 -4.605 0.759 6.042 211 1HD LYS 24 HD2 LYS 24 -3.895 0.191 8.336 212 2HD LYS 24 HD1 LYS 24 -5.621 -0.059 8.081 213 1HE LYS 24 HE2 LYS 24 -5.205 -2.460 7.756 214 2HE LYS 24 HE1 LYS 24 -3.490 -2.192 8.062 215 1HZ LYS 24 HZ1 LYS 24 -5.658 -1.592 10.001 216 2HZ LYS 24 HZ2 LYS 24 -3.989 -1.488 10.286 217 3HZ LYS 24 HZ3 LYS 24 -4.713 -3.001 10.022 218 H SER 25 HN SER 25 -7.881 -0.155 4.656 219 HA SER 25 HA SER 25 -7.532 2.658 3.868 220 1HB SER 25 HB2 SER 25 -9.976 2.774 3.688 221 2HB SER 25 HB1 SER 25 -9.343 1.470 2.683 222 HG SER 25 HG SER 25 -10.952 1.371 4.935 223 H ASN 26 HN ASN 26 -7.900 4.282 5.314 224 HA ASN 26 HA ASN 26 -7.648 3.652 8.067 225 1HB ASN 26 HB2 ASN 26 -7.773 6.054 8.452 226 2HB ASN 26 HB1 ASN 26 -6.720 5.715 7.085 227 1HD2 ASN 26 HD21 ASN 26 -8.195 8.130 7.836 228 2HD2 ASN 26 HD22 ASN 26 -9.142 8.536 6.453 229 H LYS 27 HN LYS 27 -10.351 4.476 6.019 230 HA LYS 27 HA LYS 27 -12.152 4.182 8.331 231 1HB LYS 27 HB2 LYS 27 -12.508 5.783 5.787 232 2HB LYS 27 HB1 LYS 27 -13.812 5.468 6.926 233 1HG LYS 27 HG2 LYS 27 -12.630 6.666 8.667 234 2HG LYS 27 HG1 LYS 27 -11.250 6.907 7.594 235 1HD LYS 27 HD2 LYS 27 -14.022 7.943 7.019 236 2HD LYS 27 HD1 LYS 27 -12.768 8.886 7.827 237 1HE LYS 27 HE2 LYS 27 -11.313 8.529 5.841 238 2HE LYS 27 HE1 LYS 27 -12.672 7.743 5.041 239 1HZ LYS 27 HZ1 LYS 27 -12.804 10.512 6.091 240 2HZ LYS 27 HZ2 LYS 27 -13.891 9.750 5.031 241 3HZ LYS 27 HZ3 LYS 27 -12.330 10.150 4.507 242 HA PRO 28 HA PRO 28 -13.818 0.541 6.423 243 1HB PRO 28 HB2 PRO 28 -16.444 1.395 7.485 244 2HB PRO 28 HB1 PRO 28 -15.519 -0.071 7.822 245 1HG PRO 28 HG2 PRO 28 -15.750 1.870 9.646 246 2HG PRO 28 HG1 PRO 28 -14.248 0.945 9.465 247 1HD PRO 28 HD2 PRO 28 -14.905 3.700 8.487 248 2HD PRO 28 HD1 PRO 28 -13.404 3.091 9.218 249 H VAL 29 HN VAL 29 -14.249 0.385 4.331 250 HA VAL 29 HA VAL 29 -15.980 2.434 3.108 251 HB VAL 29 HB VAL 29 -13.705 2.652 2.338 252 1HG1 VAL 29 HG11 VAL 29 -13.851 -0.255 1.568 253 2HG1 VAL 29 HG12 VAL 29 -12.871 0.448 2.857 254 3HG1 VAL 29 HG13 VAL 29 -12.529 0.845 1.175 255 1HG2 VAL 29 HG21 VAL 29 -15.370 3.081 0.656 256 2HG2 VAL 29 HG22 VAL 29 -15.442 1.370 0.237 257 3HG2 VAL 29 HG23 VAL 29 -13.980 2.296 -0.090 258 H GLU 30 HN GLU 30 -17.423 1.805 1.474 259 HA GLU 30 HA GLU 30 -18.874 -0.518 1.764 260 1HB GLU 30 HB2 GLU 30 -18.502 1.318 -0.593 261 2HB GLU 30 HB1 GLU 30 -19.595 -0.055 -0.658 262 1HG GLU 30 HG2 GLU 30 -19.796 2.061 1.458 263 2HG GLU 30 HG1 GLU 30 -20.603 2.194 -0.104 264 H ILE 31 HN ILE 31 -18.638 -2.568 1.164 265 HA ILE 31 HA ILE 31 -16.229 -3.588 0.166 266 HB ILE 31 HB ILE 31 -17.447 -5.738 -0.096 267 1HG1 ILE 31 HG12 ILE 31 -19.849 -4.125 0.798 268 2HG1 ILE 31 HG11 ILE 31 -19.619 -4.784 -0.817 269 1HG2 ILE 31 HG21 ILE 31 -16.482 -5.103 2.051 270 2HG2 ILE 31 HG22 ILE 31 -17.972 -6.020 2.280 271 3HG2 ILE 31 HG23 ILE 31 -17.974 -4.268 2.487 272 1HD1 ILE 31 HD11 ILE 31 -21.138 -6.160 0.468 273 2HD1 ILE 31 HD12 ILE 31 -19.919 -6.367 1.727 274 3HD1 ILE 31 HD13 ILE 31 -19.654 -7.049 0.122 275 H SER 32 HN SER 32 -18.919 -2.259 -1.466 276 HA SER 32 HA SER 32 -18.772 -3.589 -3.928 277 1HB SER 32 HB2 SER 32 -19.586 -0.719 -3.438 278 2HB SER 32 HB1 SER 32 -20.061 -1.736 -4.799 279 HG SER 32 HG SER 32 -21.102 -3.117 -3.255 280 H LYS 33 HN LYS 33 -16.933 -0.887 -2.597 281 HA LYS 33 HA LYS 33 -15.645 -0.482 -5.188 282 1HB LYS 33 HB2 LYS 33 -15.614 1.153 -2.662 283 2HB LYS 33 HB1 LYS 33 -14.564 1.494 -4.034 284 1HG LYS 33 HG2 LYS 33 -16.867 1.389 -5.335 285 2HG LYS 33 HG1 LYS 33 -17.489 1.841 -3.747 286 1HD LYS 33 HD2 LYS 33 -16.243 3.843 -3.720 287 2HD LYS 33 HD1 LYS 33 -15.224 3.318 -5.065 288 1HE LYS 33 HE2 LYS 33 -18.168 3.963 -5.193 289 2HE LYS 33 HE1 LYS 33 -16.854 4.960 -5.818 290 1HZ LYS 33 HZ1 LYS 33 -18.048 3.525 -7.490 291 2HZ LYS 33 HZ2 LYS 33 -17.328 2.183 -6.749 292 3HZ LYS 33 HZ3 LYS 33 -16.363 3.371 -7.472 293 H TRP 34 HN TRP 34 -15.208 -2.593 -2.884 294 HA TRP 34 HA TRP 34 -12.457 -2.511 -2.291 295 1HB TRP 34 HB2 TRP 34 -14.269 -4.097 -1.371 296 2HB TRP 34 HB1 TRP 34 -14.026 -5.036 -2.837 297 HD1 TRP 34 HD1 TRP 34 -12.525 -4.341 0.547 298 HE1 TRP 34 HE1 TRP 34 -10.500 -5.882 0.930 299 HE3 TRP 34 HE3 TRP 34 -12.059 -6.234 -4.179 300 HZ2 TRP 34 HZ2 TRP 34 -8.917 -7.668 -0.583 301 HZ3 TRP 34 HZ3 TRP 34 -10.263 -7.853 -4.627 302 HH2 TRP 34 HH2 TRP 34 -8.723 -8.555 -2.865 303 H ILE 35 HN ILE 35 -14.323 -3.708 -5.002 304 HA ILE 35 HA ILE 35 -12.144 -4.771 -6.488 305 HB ILE 35 HB ILE 35 -14.820 -3.825 -7.533 306 1HG1 ILE 35 HG12 ILE 35 -14.012 -6.576 -6.563 307 2HG1 ILE 35 HG11 ILE 35 -15.033 -5.456 -5.670 308 1HG2 ILE 35 HG21 ILE 35 -13.155 -4.195 -9.277 309 2HG2 ILE 35 HG22 ILE 35 -14.416 -5.427 -9.338 310 3HG2 ILE 35 HG23 ILE 35 -12.841 -5.812 -8.646 311 1HD1 ILE 35 HD11 ILE 35 -16.694 -5.568 -7.467 312 2HD1 ILE 35 HD12 ILE 35 -16.363 -7.147 -6.758 313 3HD1 ILE 35 HD13 ILE 35 -15.673 -6.723 -8.324 314 H ASP 36 HN ASP 36 -13.841 -1.670 -6.459 315 HA ASP 36 HA ASP 36 -12.675 -0.479 -8.692 316 1HB ASP 36 HB2 ASP 36 -13.821 0.632 -6.151 317 2HB ASP 36 HB1 ASP 36 -13.019 1.706 -7.289 318 H PHE 37 HN PHE 37 -11.639 -0.250 -5.290 319 HA PHE 37 HA PHE 37 -9.441 1.417 -5.901 320 1HB PHE 37 HB2 PHE 37 -10.030 -0.228 -3.442 321 2HB PHE 37 HB1 PHE 37 -8.705 0.925 -3.566 322 HD1 PHE 37 HD2 PHE 37 -10.560 2.812 -5.363 323 HD2 PHE 37 HD1 PHE 37 -10.897 1.018 -1.519 324 HE1 PHE 37 HE2 PHE 37 -12.071 4.621 -4.660 325 HE2 PHE 37 HE1 PHE 37 -12.406 2.827 -0.807 326 HZ PHE 37 HZ PHE 37 -12.998 4.630 -2.378 327 H SER 38 HN SER 38 -9.705 -2.100 -5.452 328 HA SER 38 HA SER 38 -6.900 -2.548 -5.619 329 1HB SER 38 HB2 SER 38 -7.575 -4.931 -6.107 330 2HB SER 38 HB1 SER 38 -8.237 -4.264 -4.616 331 HG SER 38 HG SER 38 -10.202 -4.270 -5.452 332 H ASN 39 HN ASN 39 -9.470 -2.259 -7.956 333 HA ASN 39 HA ASN 39 -8.107 -3.089 -10.272 334 1HB ASN 39 HB2 ASN 39 -10.535 -2.693 -10.164 335 2HB ASN 39 HB1 ASN 39 -10.252 -0.974 -9.942 336 1HD2 ASN 39 HD21 ASN 39 -11.409 -0.404 -11.733 337 2HD2 ASN 39 HD22 ASN 39 -10.844 -0.701 -13.343 338 H VAL 40 HN VAL 40 -8.102 -0.093 -8.467 339 HA VAL 40 HA VAL 40 -6.537 1.353 -10.405 340 HB VAL 40 HB VAL 40 -7.115 2.014 -7.509 341 1HG1 VAL 40 HG11 VAL 40 -5.147 3.191 -8.303 342 2HG1 VAL 40 HG12 VAL 40 -6.499 4.310 -8.123 343 3HG1 VAL 40 HG13 VAL 40 -6.029 3.744 -9.726 344 1HG2 VAL 40 HG21 VAL 40 -9.156 1.880 -8.813 345 2HG2 VAL 40 HG22 VAL 40 -8.467 2.948 -10.036 346 3HG2 VAL 40 HG23 VAL 40 -8.796 3.559 -8.415 347 H LEU 41 HN LEU 41 -5.929 -0.220 -7.282 348 HA LEU 41 HA LEU 41 -3.250 0.579 -7.001 349 1HB LEU 41 HB2 LEU 41 -4.648 -1.849 -5.896 350 2HB LEU 41 HB1 LEU 41 -3.078 -1.275 -5.375 351 HG LEU 41 HG LEU 41 -5.686 0.215 -5.078 352 1HD1 LEU 41 HD11 LEU 41 -5.534 -1.683 -3.585 353 2HD1 LEU 41 HD12 LEU 41 -5.332 -0.183 -2.680 354 3HD1 LEU 41 HD13 LEU 41 -3.927 -1.176 -3.069 355 1HD2 LEU 41 HD21 LEU 41 -4.370 1.788 -3.724 356 2HD2 LEU 41 HD22 LEU 41 -3.838 1.756 -5.405 357 3HD2 LEU 41 HD23 LEU 41 -2.900 0.921 -4.167 358 H SER 42 HN SER 42 -4.659 -1.966 -8.889 359 HA SER 42 HA SER 42 -2.182 -3.404 -9.194 360 1HB SER 42 HB2 SER 42 -3.550 -4.631 -10.990 361 2HB SER 42 HB1 SER 42 -4.100 -4.769 -9.320 362 HG SER 42 HG SER 42 -5.802 -3.547 -9.746 363 H ARG 43 HN ARG 43 -3.686 -0.715 -10.679 364 HA ARG 43 HA ARG 43 -1.942 -0.887 -13.032 365 1HB ARG 43 HB2 ARG 43 -4.396 -0.319 -13.265 366 2HB ARG 43 HB1 ARG 43 -4.063 1.182 -12.418 367 1HG ARG 43 HG2 ARG 43 -4.137 1.597 -14.782 368 2HG ARG 43 HG1 ARG 43 -2.478 1.804 -14.212 369 1HD ARG 43 HD2 ARG 43 -1.906 -0.417 -15.022 370 2HD ARG 43 HD1 ARG 43 -3.572 -0.676 -15.537 371 HE ARG 43 HE ARG 43 -2.183 1.612 -16.700 372 1HH1 ARG 43 HH11 ARG 43 -3.320 -1.684 -17.044 373 2HH1 ARG 43 HH12 ARG 43 -3.123 -1.709 -18.773 374 1HH2 ARG 43 HH21 ARG 43 -1.935 1.588 -18.983 375 2HH2 ARG 43 HH22 ARG 43 -2.331 0.148 -19.875 376 H LEU 44 HN LEU 44 -2.065 0.369 -9.942 377 HA LEU 44 HA LEU 44 -0.458 2.731 -10.468 378 1HB LEU 44 HB2 LEU 44 -2.241 2.714 -8.729 379 2HB LEU 44 HB1 LEU 44 -1.328 1.509 -7.844 380 HG LEU 44 HG LEU 44 0.553 3.216 -7.722 381 1HD1 LEU 44 HD11 LEU 44 -0.219 4.693 -9.497 382 2HD1 LEU 44 HD12 LEU 44 -0.092 5.558 -7.965 383 3HD1 LEU 44 HD13 LEU 44 -1.673 5.062 -8.570 384 1HD2 LEU 44 HD21 LEU 44 -0.868 2.666 -5.821 385 2HD2 LEU 44 HD22 LEU 44 -2.061 3.846 -6.361 386 3HD2 LEU 44 HD23 LEU 44 -0.466 4.382 -5.834 387 H TYR 45 HN TYR 45 1.696 2.920 -10.009 388 HA TYR 45 HA TYR 45 3.056 0.586 -8.861 389 1HB TYR 45 HB2 TYR 45 3.773 2.101 -11.364 390 2HB TYR 45 HB1 TYR 45 4.990 1.216 -10.456 391 HD1 TYR 45 HD1 TYR 45 1.747 0.795 -12.240 392 HD2 TYR 45 HD2 TYR 45 5.275 -1.082 -10.774 393 HE1 TYR 45 HE1 TYR 45 1.137 -1.271 -13.428 394 HE2 TYR 45 HE2 TYR 45 4.673 -3.149 -11.957 395 HH TYR 45 HH TYR 45 2.806 -4.253 -12.899 396 H VAL 46 HN VAL 46 3.569 1.377 -6.910 397 HA VAL 46 HA VAL 46 4.994 3.953 -6.808 398 HB VAL 46 HB VAL 46 4.494 3.943 -4.361 399 1HG1 VAL 46 HG11 VAL 46 3.127 5.244 -5.883 400 2HG1 VAL 46 HG12 VAL 46 2.128 4.568 -4.595 401 3HG1 VAL 46 HG13 VAL 46 2.107 3.841 -6.202 402 1HG2 VAL 46 HG21 VAL 46 4.151 1.563 -4.025 403 2HG2 VAL 46 HG22 VAL 46 2.735 1.596 -5.074 404 3HG2 VAL 46 HG23 VAL 46 2.712 2.456 -3.534 405 H GLY 47 HN GLY 47 6.999 4.074 -5.822 406 1HA GLY 47 HA2 GLY 47 8.280 1.434 -5.445 407 2HA GLY 47 HA1 GLY 47 9.102 2.866 -6.046 408 H VAL 48 HN VAL 48 7.144 3.936 -3.692 409 HA VAL 48 HA VAL 48 9.251 4.723 -2.027 410 HB VAL 48 HB VAL 48 7.458 5.357 -0.372 411 1HG1 VAL 48 HG11 VAL 48 8.251 6.924 -2.042 412 2HG1 VAL 48 HG12 VAL 48 6.513 7.114 -1.812 413 3HG1 VAL 48 HG13 VAL 48 7.126 6.263 -3.230 414 1HG2 VAL 48 HG21 VAL 48 5.828 3.623 -0.899 415 2HG2 VAL 48 HG22 VAL 48 5.634 4.278 -2.524 416 3HG2 VAL 48 HG23 VAL 48 5.123 5.222 -1.127 417 HA PRO 49 HA PRO 49 9.421 1.204 0.754 418 1HB PRO 49 HB2 PRO 49 11.955 1.758 1.601 419 2HB PRO 49 HB1 PRO 49 11.584 0.894 0.109 420 1HG PRO 49 HG2 PRO 49 12.737 3.517 0.430 421 2HG PRO 49 HG1 PRO 49 12.481 2.599 -1.061 422 1HD PRO 49 HD2 PRO 49 10.859 4.754 0.109 423 2HD PRO 49 HD1 PRO 49 10.896 4.160 -1.561 424 H THR 50 HN THR 50 7.786 2.731 1.890 425 HA THR 50 HA THR 50 8.888 4.320 4.044 426 HB THR 50 HB THR 50 6.106 4.148 4.301 427 HG1 THR 50 HG1 THR 50 5.311 4.149 2.285 428 1HG2 THR 50 HG21 THR 50 7.802 6.212 2.884 429 2HG2 THR 50 HG22 THR 50 7.462 6.164 4.612 430 3HG2 THR 50 HG23 THR 50 6.156 6.462 3.467 431 H LYS 51 HN LYS 51 7.453 4.134 6.151 432 HA LYS 51 HA LYS 51 7.573 1.346 7.061 433 1HB LYS 51 HB2 LYS 51 7.968 3.971 8.336 434 2HB LYS 51 HB1 LYS 51 7.018 2.844 9.290 435 1HG LYS 51 HG2 LYS 51 9.307 2.656 9.944 436 2HG LYS 51 HG1 LYS 51 8.846 1.190 9.082 437 1HD LYS 51 HD2 LYS 51 9.929 2.059 7.051 438 2HD LYS 51 HD1 LYS 51 10.411 3.507 7.940 439 1HE LYS 51 HE2 LYS 51 11.649 2.046 9.530 440 2HE LYS 51 HE1 LYS 51 11.259 0.668 8.505 441 1HZ LYS 51 HZ1 LYS 51 12.453 1.769 6.679 442 2HZ LYS 51 HZ2 LYS 51 13.456 1.460 8.010 443 3HZ LYS 51 HZ3 LYS 51 12.888 3.032 7.726 444 H SER 52 HN SER 52 5.784 1.326 9.109 445 HA SER 52 HA SER 52 3.355 0.933 7.714 446 1HB SER 52 HB2 SER 52 4.049 -0.372 9.719 447 2HB SER 52 HB1 SER 52 3.765 1.061 10.710 448 HG SER 52 HG SER 52 1.824 0.240 10.844 449 H GLY 53 HN GLY 53 1.421 2.056 7.764 450 1HA GLY 53 HA2 GLY 53 -0.071 3.747 8.284 451 2HA GLY 53 HA1 GLY 53 1.108 4.406 9.409 452 H ASN 54 HN ASN 54 1.808 3.697 6.050 453 HA ASN 54 HA ASN 54 2.273 6.576 5.656 454 1HB ASN 54 HB2 ASN 54 3.794 6.025 3.890 455 2HB ASN 54 HB1 ASN 54 4.184 4.994 5.259 456 1HD2 ASN 54 HD21 ASN 54 3.889 2.794 5.101 457 2HD2 ASN 54 HD22 ASN 54 3.541 2.005 3.600 458 H VAL 55 HN VAL 55 1.177 7.730 4.163 459 HA VAL 55 HA VAL 55 -1.182 6.515 3.052 460 HB VAL 55 HB VAL 55 -0.157 9.338 2.686 461 1HG1 VAL 55 HG11 VAL 55 -1.757 8.663 0.971 462 2HG1 VAL 55 HG12 VAL 55 -2.458 9.862 2.058 463 3HG1 VAL 55 HG13 VAL 55 -2.895 8.162 2.221 464 1HG2 VAL 55 HG21 VAL 55 -0.547 8.846 5.042 465 2HG2 VAL 55 HG22 VAL 55 -2.165 8.251 4.660 466 3HG2 VAL 55 HG23 VAL 55 -1.772 9.954 4.422 467 H VAL 56 HN VAL 56 -1.135 5.421 1.224 468 HA VAL 56 HA VAL 56 0.909 5.920 -0.784 469 HB VAL 56 HB VAL 56 -1.360 3.915 -0.835 470 1HG1 VAL 56 HG11 VAL 56 1.164 4.097 -2.474 471 2HG1 VAL 56 HG12 VAL 56 -0.476 4.401 -3.046 472 3HG1 VAL 56 HG13 VAL 56 -0.006 2.779 -2.536 473 1HG2 VAL 56 HG21 VAL 56 0.338 2.264 -0.175 474 2HG2 VAL 56 HG22 VAL 56 0.090 3.493 1.065 475 3HG2 VAL 56 HG23 VAL 56 1.512 3.565 0.023 476 H CYS 57 HN CYS 57 -2.644 5.862 -0.613 477 HA CYS 57 HA CYS 57 -2.690 7.826 -2.806 478 1HB CYS 57 HB2 CYS 57 -4.791 5.694 -2.389 479 2HB CYS 57 HB1 CYS 57 -4.621 6.780 -3.763 480 HG CYS 57 HG CYS 57 -3.916 3.944 -4.169 481 H LYS 58 HN LYS 58 -3.337 9.696 -1.920 482 HA LYS 58 HA LYS 58 -5.215 9.610 0.336 483 1HB LYS 58 HB2 LYS 58 -3.111 10.879 0.646 484 2HB LYS 58 HB1 LYS 58 -3.556 11.920 -0.698 485 1HG LYS 58 HG2 LYS 58 -5.505 12.704 0.531 486 2HG LYS 58 HG1 LYS 58 -5.093 11.641 1.879 487 1HD LYS 58 HD2 LYS 58 -3.005 12.840 2.211 488 2HD LYS 58 HD1 LYS 58 -3.353 13.869 0.820 489 1HE LYS 58 HE2 LYS 58 -3.879 15.046 2.870 490 2HE LYS 58 HE1 LYS 58 -5.358 14.711 1.969 491 1HZ LYS 58 HZ1 LYS 58 -5.785 12.838 3.443 492 2HZ LYS 58 HZ2 LYS 58 -5.641 14.277 4.324 493 3HZ LYS 58 HZ3 LYS 58 -4.360 13.165 4.302 494 H ASN 59 HN ASN 59 -7.267 10.069 0.034 495 HA ASN 59 HA ASN 59 -9.223 10.781 -0.872 496 1HB ASN 59 HB2 ASN 59 -7.990 13.027 -0.703 497 2HB ASN 59 HB1 ASN 59 -7.651 12.845 -2.420 498 1HD2 ASN 59 HD21 ASN 59 -10.071 13.425 -0.018 499 2HD2 ASN 59 HD22 ASN 59 -11.315 13.949 -1.108 500 H ILE 60 HN ILE 60 -8.674 8.591 -1.950 501 HA ILE 60 HA ILE 60 -7.842 8.731 -4.702 502 HB ILE 60 HB ILE 60 -7.198 6.793 -3.395 503 1HG1 ILE 60 HG12 ILE 60 -9.181 6.002 -5.539 504 2HG1 ILE 60 HG11 ILE 60 -7.537 6.554 -5.841 505 1HG2 ILE 60 HG21 ILE 60 -8.818 5.118 -2.663 506 2HG2 ILE 60 HG22 ILE 60 -10.135 6.164 -3.197 507 3HG2 ILE 60 HG23 ILE 60 -9.083 6.674 -1.875 508 1HD1 ILE 60 HD11 ILE 60 -6.674 4.617 -4.619 509 2HD1 ILE 60 HD12 ILE 60 -7.676 4.146 -5.991 510 3HD1 ILE 60 HD13 ILE 60 -8.325 4.060 -4.352 511 H MET 61 HN MET 61 -9.056 9.129 -6.373 512 HA MET 61 HA MET 61 -10.829 9.344 -7.775 513 1HB MET 61 HB2 MET 61 -12.154 7.335 -5.940 514 2HB MET 61 HB1 MET 61 -12.768 7.831 -7.511 515 1HG MET 61 HG2 MET 61 -10.806 6.902 -8.597 516 2HG MET 61 HG1 MET 61 -10.133 6.455 -7.031 517 1HE MET 61 HE1 MET 61 -12.965 5.805 -9.652 518 2HE MET 61 HE2 MET 61 -13.888 6.206 -8.203 519 3HE MET 61 HE3 MET 61 -13.929 4.564 -8.850 520 H ASN 62 HN ASN 62 -10.497 10.933 -5.289 521 HA ASN 62 HA ASN 62 -11.484 12.594 -4.128 522 1HB ASN 62 HB2 ASN 62 -13.384 12.458 -6.461 523 2HB ASN 62 HB1 ASN 62 -13.550 13.652 -5.177 524 1HD2 ASN 62 HD21 ASN 62 -10.666 13.905 -4.790 525 2HD2 ASN 62 HD22 ASN 62 -10.084 14.812 -6.148 526 H THR 63 HN THR 63 -11.807 11.051 -2.469 527 HA THR 63 HA THR 63 -14.647 10.482 -1.958 528 HB THR 63 HB THR 63 -13.743 8.454 -0.666 529 HG1 THR 63 HG1 THR 63 -11.621 8.297 -2.432 530 1HG2 THR 63 HG21 THR 63 -15.001 8.265 -2.765 531 2HG2 THR 63 HG22 THR 63 -13.722 7.053 -2.671 532 3HG2 THR 63 HG23 THR 63 -13.507 8.486 -3.677 533 H GLY 64 HN GLY 64 -11.444 11.011 -0.573 534 1HA GLY 64 HA2 GLY 64 -11.147 12.487 1.316 535 2HA GLY 64 HA1 GLY 64 -12.731 11.979 1.893 536 H VAL 65 HN VAL 65 -10.816 9.508 0.569 537 HA VAL 65 HA VAL 65 -10.214 8.515 3.272 538 HB VAL 65 HB VAL 65 -11.805 7.220 1.718 539 1HG1 VAL 65 HG11 VAL 65 -9.217 6.456 0.408 540 2HG1 VAL 65 HG12 VAL 65 -10.539 7.362 -0.325 541 3HG1 VAL 65 HG13 VAL 65 -10.776 5.678 0.143 542 1HG2 VAL 65 HG21 VAL 65 -9.433 5.832 2.944 543 2HG2 VAL 65 HG22 VAL 65 -10.942 5.044 2.478 544 3HG2 VAL 65 HG23 VAL 65 -10.940 6.263 3.754 545 H ASP 66 HN ASP 66 -8.148 8.047 3.800 546 HA ASP 66 HA ASP 66 -6.144 8.294 1.677 547 1HB ASP 66 HB2 ASP 66 -4.535 8.548 3.707 548 2HB ASP 66 HB1 ASP 66 -5.528 9.913 3.221 549 H ILE 67 HN ILE 67 -5.618 6.438 0.884 550 HA ILE 67 HA ILE 67 -5.863 3.978 2.351 551 HB ILE 67 HB ILE 67 -4.641 4.489 -0.371 552 1HG1 ILE 67 HG12 ILE 67 -7.014 5.111 -0.285 553 2HG1 ILE 67 HG11 ILE 67 -6.771 3.676 -1.274 554 1HG2 ILE 67 HG21 ILE 67 -4.953 2.085 -0.740 555 2HG2 ILE 67 HG22 ILE 67 -5.501 1.905 0.926 556 3HG2 ILE 67 HG23 ILE 67 -3.844 2.409 0.592 557 1HD1 ILE 67 HD11 ILE 67 -7.773 3.709 1.564 558 2HD1 ILE 67 HD12 ILE 67 -7.552 2.275 0.562 559 3HD1 ILE 67 HD13 ILE 67 -8.756 3.484 0.118 560 H ILE 68 HN ILE 68 -4.389 3.324 3.751 561 HA ILE 68 HA ILE 68 -1.644 4.331 3.437 562 HB ILE 68 HB ILE 68 -1.433 3.905 5.905 563 1HG1 ILE 68 HG12 ILE 68 -4.449 3.703 5.729 564 2HG1 ILE 68 HG11 ILE 68 -3.356 2.386 6.145 565 1HG2 ILE 68 HG21 ILE 68 -1.692 6.135 5.013 566 2HG2 ILE 68 HG22 ILE 68 -2.579 5.979 6.529 567 3HG2 ILE 68 HG23 ILE 68 -3.446 5.951 4.992 568 1HD1 ILE 68 HD11 ILE 68 -3.753 4.913 7.729 569 2HD1 ILE 68 HD12 ILE 68 -2.669 3.585 8.149 570 3HD1 ILE 68 HD13 ILE 68 -4.414 3.324 8.118 571 H CYS 69 HN CYS 69 0.052 2.979 3.527 572 HA CYS 69 HA CYS 69 -0.490 0.120 3.513 573 1HB CYS 69 HB2 CYS 69 1.034 1.021 1.818 574 2HB CYS 69 HB1 CYS 69 2.081 1.661 3.082 575 HG CYS 69 HG CYS 69 1.503 -1.647 2.423 576 H THR 70 HN THR 70 0.314 -1.305 5.060 577 HA THR 70 HA THR 70 1.184 0.025 7.541 578 HB THR 70 HB THR 70 -1.135 -0.844 7.653 579 HG1 THR 70 HG1 THR 70 0.804 -1.262 9.391 580 1HG2 THR 70 HG21 THR 70 -0.931 -2.717 6.106 581 2HG2 THR 70 HG22 THR 70 -1.537 -3.265 7.669 582 3HG2 THR 70 HG23 THR 70 0.147 -3.547 7.230 583 H LYS 71 HN LYS 71 2.208 -1.960 5.131 584 HA LYS 71 HA LYS 71 3.917 -3.545 6.895 585 1HB LYS 71 HB2 LYS 71 2.730 -4.690 5.007 586 2HB LYS 71 HB1 LYS 71 3.673 -3.719 3.885 587 1HG LYS 71 HG2 LYS 71 5.700 -4.749 4.565 588 2HG LYS 71 HG1 LYS 71 4.913 -5.536 5.934 589 1HD LYS 71 HD2 LYS 71 3.523 -6.817 4.321 590 2HD LYS 71 HD1 LYS 71 4.459 -6.101 3.007 591 1HE LYS 71 HE2 LYS 71 6.482 -7.120 3.833 592 2HE LYS 71 HE1 LYS 71 5.636 -7.729 5.255 593 1HZ LYS 71 HZ1 LYS 71 5.158 -8.545 2.438 594 2HZ LYS 71 HZ2 LYS 71 4.253 -9.082 3.766 595 3HZ LYS 71 HZ3 LYS 71 5.892 -9.475 3.648 596 H ASN 72 HN ASN 72 6.182 -3.447 6.706 597 HA ASN 72 HA ASN 72 7.061 -0.767 5.952 598 1HB ASN 72 HB2 ASN 72 8.420 -2.916 7.603 599 2HB ASN 72 HB1 ASN 72 9.116 -1.338 7.256 600 1HD2 ASN 72 HD21 ASN 72 5.706 -1.817 7.907 601 2HD2 ASN 72 HD22 ASN 72 5.689 -1.041 9.452 602 H LEU 73 HN LEU 73 8.204 -0.401 4.164 603 HA LEU 73 HA LEU 73 8.784 -2.659 2.460 604 1HB LEU 73 HB2 LEU 73 8.975 0.310 2.067 605 2HB LEU 73 HB1 LEU 73 9.576 -0.820 0.873 606 HG LEU 73 HG LEU 73 7.426 -0.134 0.154 607 1HD1 LEU 73 HD11 LEU 73 6.179 -2.225 0.127 608 2HD1 LEU 73 HD12 LEU 73 7.182 -2.844 1.440 609 3HD1 LEU 73 HD13 LEU 73 7.902 -2.498 -0.133 610 1HD2 LEU 73 HD21 LEU 73 6.399 -0.868 2.892 611 2HD2 LEU 73 HD22 LEU 73 5.408 -0.347 1.528 612 3HD2 LEU 73 HD23 LEU 73 6.575 0.764 2.248 613 HA PRO 74 HA PRO 74 12.995 -3.022 3.795 614 1HB PRO 74 HB2 PRO 74 13.415 -4.691 1.427 615 2HB PRO 74 HB1 PRO 74 13.494 -5.128 3.136 616 1HG PRO 74 HG2 PRO 74 11.503 -5.966 1.512 617 2HG PRO 74 HG1 PRO 74 11.260 -5.654 3.241 618 1HD PRO 74 HD2 PRO 74 10.543 -3.955 0.883 619 2HD PRO 74 HD1 PRO 74 9.640 -4.257 2.383 620 H LYS 75 HN LYS 75 13.775 -0.960 3.371 621 HA LYS 75 HA LYS 75 15.508 -0.915 0.997 622 1HB LYS 75 HB2 LYS 75 13.730 0.823 0.815 623 2HB LYS 75 HB1 LYS 75 14.284 1.507 2.336 624 1HG LYS 75 HG2 LYS 75 16.569 1.710 1.153 625 2HG LYS 75 HG1 LYS 75 15.637 1.503 -0.331 626 1HD LYS 75 HD2 LYS 75 14.186 3.407 0.428 627 2HD LYS 75 HD1 LYS 75 15.329 3.667 1.748 628 1HE LYS 75 HE2 LYS 75 17.128 3.906 0.019 629 2HE LYS 75 HE1 LYS 75 15.859 3.873 -1.207 630 1HZ LYS 75 HZ1 LYS 75 16.506 6.135 -0.621 631 2HZ LYS 75 HZ2 LYS 75 16.068 5.857 0.994 632 3HZ LYS 75 HZ3 LYS 75 14.881 5.840 -0.221 633 H ASP 76 HN ASP 76 14.983 0.672 4.086 634 HA ASP 76 HA ASP 76 17.729 1.131 4.628 635 1HB ASP 76 HB2 ASP 76 16.026 2.563 5.591 636 2HB ASP 76 HB1 ASP 76 15.290 1.194 6.416 637 H SER 77 HN SER 77 18.991 -0.604 4.722 638 HA SER 77 HA SER 77 18.131 -2.973 6.188 639 1HB SER 77 HB2 SER 77 20.591 -2.522 4.475 640 2HB SER 77 HB1 SER 77 20.058 -4.067 5.140 641 HG SER 77 HG SER 77 18.435 -2.496 3.428 642 H LEU 78 HN LEU 78 18.798 -3.367 8.187 643 HA LEU 78 HA LEU 78 20.549 -1.445 9.449 644 1HB LEU 78 HB2 LEU 78 19.014 -3.775 10.590 645 2HB LEU 78 HB1 LEU 78 19.893 -2.591 11.536 646 HG LEU 78 HG LEU 78 17.519 -1.984 9.770 647 1HD1 LEU 78 HD11 LEU 78 16.888 -3.291 11.729 648 2HD1 LEU 78 HD12 LEU 78 16.310 -1.629 11.860 649 3HD1 LEU 78 HD13 LEU 78 17.729 -2.144 12.774 650 1HD2 LEU 78 HD21 LEU 78 19.050 -0.239 11.696 651 2HD2 LEU 78 HD22 LEU 78 17.582 0.219 10.830 652 3HD2 LEU 78 HD23 LEU 78 19.067 -0.110 9.938 653 H GLU 79 HN GLU 79 21.007 -4.384 7.924 654 HA GLU 79 HA GLU 79 23.172 -5.265 9.632 655 1HB GLU 79 HB2 GLU 79 21.847 -6.986 8.557 656 2HB GLU 79 HB1 GLU 79 22.202 -6.316 6.969 657 1HG GLU 79 HG2 GLU 79 24.572 -6.839 7.286 658 2HG GLU 79 HG1 GLU 79 24.205 -7.529 8.864 659 H HIS 80 HN HIS 80 24.873 -3.958 9.603 660 HA HIS 80 HA HIS 80 25.921 -2.817 7.190 661 1HB HIS 80 HB2 HIS 80 27.872 -2.170 8.642 662 2HB HIS 80 HB1 HIS 80 26.317 -1.580 9.209 663 HD1 HIS 80 HD1 HIS 80 29.252 -3.488 10.260 664 HD2 HIS 80 HD2 HIS 80 25.303 -3.076 11.490 665 HE1 HIS 80 HE1 HIS 80 29.165 -4.435 12.589 666 HE2 HIS 80 HE2 HIS 80 26.713 -4.414 13.191 667 H HIS 81 HN HIS 81 26.436 -4.353 5.742 668 HA HIS 81 HA HIS 81 27.727 -6.790 6.530 669 1HB HIS 81 HB2 HIS 81 27.810 -7.182 3.997 670 2HB HIS 81 HB1 HIS 81 26.235 -7.111 4.768 671 HD1 HIS 81 HD1 HIS 81 28.322 -4.158 3.543 672 HD2 HIS 81 HD2 HIS 81 24.713 -6.084 2.790 673 HE1 HIS 81 HE1 HIS 81 27.140 -2.745 1.830 674 HE2 HIS 81 HE2 HIS 81 25.052 -4.035 1.253 675 H HIS 82 HN HIS 82 29.776 -7.417 6.303 676 HA HIS 82 HA HIS 82 31.734 -5.319 6.030 677 1HB HIS 82 HB2 HIS 82 31.923 -8.230 6.780 678 2HB HIS 82 HB1 HIS 82 33.349 -7.222 6.562 679 HD1 HIS 82 HD1 HIS 82 30.406 -7.726 8.830 680 HD2 HIS 82 HD2 HIS 82 33.867 -5.429 8.620 681 HE1 HIS 82 HE1 HIS 82 30.672 -6.685 11.106 682 HE2 HIS 82 HE2 HIS 82 32.884 -5.487 11.008 683 H HIS 83 HN HIS 83 32.388 -4.725 4.141 684 HA HIS 83 HA HIS 83 33.617 -6.587 2.323 685 1HB HIS 83 HB2 HIS 83 31.283 -6.699 1.544 686 2HB HIS 83 HB1 HIS 83 31.221 -4.946 1.437 687 HD1 HIS 83 HD1 HIS 83 33.119 -7.843 -0.145 688 HD2 HIS 83 HD2 HIS 83 31.855 -3.972 -1.014 689 HE1 HIS 83 HE1 HIS 83 33.686 -7.466 -2.572 690 HE2 HIS 83 HE2 HIS 83 33.036 -5.073 -3.035 691 H HIS 84 HN HIS 84 32.334 -3.351 2.737 692 HA HIS 84 HA HIS 84 34.778 -2.059 3.051 693 1HB HIS 84 HB2 HIS 84 34.953 -2.587 0.566 694 2HB HIS 84 HB1 HIS 84 33.569 -1.527 0.325 695 HD1 HIS 84 HD1 HIS 84 34.161 0.804 -0.234 696 HD2 HIS 84 HD2 HIS 84 37.163 -1.094 1.936 697 HE1 HIS 84 HE1 HIS 84 36.045 2.472 -0.068 698 HE2 HIS 84 HE2 HIS 84 37.913 1.235 1.099 699 H HIS 85 HN HIS 85 31.539 -1.866 1.724 700 HA HIS 85 HA HIS 85 30.742 -0.117 3.879 701 1HB HIS 85 HB2 HIS 85 31.371 1.548 2.239 702 2HB HIS 85 HB1 HIS 85 30.478 0.705 0.977 703 HD1 HIS 85 HD1 HIS 85 29.821 2.565 4.229 704 HD2 HIS 85 HD2 HIS 85 27.904 1.528 0.684 705 HE1 HIS 85 HE1 HIS 85 27.612 3.772 4.270 706 HE2 HIS 85 HE2 HIS 85 26.575 3.297 2.018 Start of MODEL 14 1 1H MET 1 HT1 MET 1 -26.361 -4.591 6.848 2 2H MET 1 HT2 MET 1 -25.372 -5.639 7.742 3 3H MET 1 HT3 MET 1 -26.157 -6.200 6.348 4 HA MET 1 HA MET 1 -23.860 -5.831 5.866 5 1HB MET 1 HB2 MET 1 -25.416 -5.395 4.062 6 2HB MET 1 HB1 MET 1 -25.716 -3.771 4.661 7 1HG MET 1 HG2 MET 1 -23.361 -3.204 4.201 8 2HG MET 1 HG1 MET 1 -23.134 -4.813 3.519 9 1HE MET 1 HE1 MET 1 -22.520 -2.003 2.036 10 2HE MET 1 HE2 MET 1 -23.114 -2.357 0.414 11 3HE MET 1 HE3 MET 1 -22.190 -3.572 1.298 12 H HIS 2 HN HIS 2 -22.066 -4.920 6.562 13 HA HIS 2 HA HIS 2 -22.101 -2.070 7.303 14 1HB HIS 2 HB2 HIS 2 -21.979 -3.668 9.299 15 2HB HIS 2 HB1 HIS 2 -20.406 -4.160 8.687 16 HD1 HIS 2 HD1 HIS 2 -22.184 -1.258 10.269 17 HD2 HIS 2 HD2 HIS 2 -18.328 -2.389 9.197 18 HE1 HIS 2 HE1 HIS 2 -20.658 0.430 11.341 19 HE2 HIS 2 HE2 HIS 2 -18.329 -0.388 10.841 20 H LYS 3 HN LYS 3 -20.040 -0.997 6.916 21 HA LYS 3 HA LYS 3 -18.854 -1.915 4.484 22 1HB LYS 3 HB2 LYS 3 -18.073 0.399 6.266 23 2HB LYS 3 HB1 LYS 3 -17.483 0.127 4.631 24 1HG LYS 3 HG2 LYS 3 -19.852 0.290 3.843 25 2HG LYS 3 HG1 LYS 3 -20.293 0.788 5.479 26 1HD LYS 3 HD2 LYS 3 -18.641 2.646 5.276 27 2HD LYS 3 HD1 LYS 3 -18.415 2.194 3.587 28 1HE LYS 3 HE2 LYS 3 -20.863 2.533 3.247 29 2HE LYS 3 HE1 LYS 3 -20.954 3.158 4.893 30 1HZ LYS 3 HZ1 LYS 3 -20.708 5.068 3.676 31 2HZ LYS 3 HZ2 LYS 3 -19.703 4.351 2.513 32 3HZ LYS 3 HZ3 LYS 3 -19.082 4.737 4.048 33 H ASP 4 HN ASP 4 -16.551 -2.212 4.135 34 HA ASP 4 HA ASP 4 -15.332 -3.639 6.412 35 1HB ASP 4 HB2 ASP 4 -16.202 -5.244 4.828 36 2HB ASP 4 HB1 ASP 4 -15.438 -4.402 3.485 37 H ILE 5 HN ILE 5 -13.155 -3.401 6.730 38 HA ILE 5 HA ILE 5 -11.813 -1.185 5.591 39 HB ILE 5 HB ILE 5 -10.776 -3.480 7.264 40 1HG1 ILE 5 HG12 ILE 5 -12.338 -1.956 8.403 41 2HG1 ILE 5 HG11 ILE 5 -10.710 -1.811 9.059 42 1HG2 ILE 5 HG21 ILE 5 -9.317 -0.970 6.438 43 2HG2 ILE 5 HG22 ILE 5 -8.959 -2.607 5.887 44 3HG2 ILE 5 HG23 ILE 5 -8.730 -2.177 7.583 45 1HD1 ILE 5 HD11 ILE 5 -11.736 0.366 8.834 46 2HD1 ILE 5 HD12 ILE 5 -12.024 0.077 7.118 47 3HD1 ILE 5 HD13 ILE 5 -10.374 0.220 7.720 48 H PHE 6 HN PHE 6 -11.320 -1.187 3.507 49 HA PHE 6 HA PHE 6 -10.731 -3.525 2.010 50 1HB PHE 6 HB2 PHE 6 -11.741 -1.581 0.950 51 2HB PHE 6 HB1 PHE 6 -10.335 -0.601 1.346 52 HD1 PHE 6 HD2 PHE 6 -11.448 -3.513 -0.648 53 HD2 PHE 6 HD1 PHE 6 -8.499 -0.498 -0.098 54 HE1 PHE 6 HE2 PHE 6 -10.429 -4.125 -2.801 55 HE2 PHE 6 HE1 PHE 6 -7.472 -1.107 -2.248 56 HZ PHE 6 HZ PHE 6 -8.437 -2.923 -3.602 57 H THR 7 HN THR 7 -8.899 -4.614 1.968 58 HA THR 7 HA THR 7 -6.374 -3.157 2.044 59 HB THR 7 HB THR 7 -6.764 -3.911 4.362 60 HG1 THR 7 HG1 THR 7 -4.603 -3.982 3.227 61 1HG2 THR 7 HG21 THR 7 -6.776 -6.683 3.170 62 2HG2 THR 7 HG22 THR 7 -8.143 -5.869 3.931 63 3HG2 THR 7 HG23 THR 7 -6.733 -6.309 4.894 64 H SER 8 HN SER 8 -4.718 -4.141 0.887 65 HA SER 8 HA SER 8 -5.029 -6.767 -0.255 66 1HB SER 8 HB2 SER 8 -5.151 -4.329 -2.059 67 2HB SER 8 HB1 SER 8 -4.976 -5.994 -2.613 68 HG SER 8 HG SER 8 -7.097 -5.596 -0.909 69 H VAL 9 HN VAL 9 -3.144 -7.195 -1.804 70 HA VAL 9 HA VAL 9 -0.800 -5.677 -0.889 71 HB VAL 9 HB VAL 9 0.536 -7.694 -1.596 72 1HG1 VAL 9 HG11 VAL 9 -1.512 -8.089 0.580 73 2HG1 VAL 9 HG12 VAL 9 0.043 -7.273 0.741 74 3HG1 VAL 9 HG13 VAL 9 -0.014 -9.005 0.407 75 1HG2 VAL 9 HG21 VAL 9 -1.093 -8.725 -3.090 76 2HG2 VAL 9 HG22 VAL 9 -2.186 -8.992 -1.732 77 3HG2 VAL 9 HG23 VAL 9 -0.640 -9.838 -1.798 78 H VAL 10 HN VAL 10 0.066 -4.359 -2.316 79 HA VAL 10 HA VAL 10 -0.455 -4.848 -5.168 80 HB VAL 10 HB VAL 10 -1.285 -2.696 -4.238 81 1HG1 VAL 10 HG11 VAL 10 0.303 -0.928 -3.666 82 2HG1 VAL 10 HG12 VAL 10 1.636 -2.071 -3.831 83 3HG1 VAL 10 HG13 VAL 10 0.429 -2.299 -2.563 84 1HG2 VAL 10 HG21 VAL 10 0.913 -2.424 -6.280 85 2HG2 VAL 10 HG22 VAL 10 -0.384 -1.262 -6.001 86 3HG2 VAL 10 HG23 VAL 10 -0.761 -2.877 -6.602 87 H ARG 11 HN ARG 11 1.284 -4.536 -6.670 88 HA ARG 11 HA ARG 11 3.745 -5.612 -5.687 89 1HB ARG 11 HB2 ARG 11 2.850 -6.288 -7.865 90 2HB ARG 11 HB1 ARG 11 2.995 -4.635 -8.451 91 1HG ARG 11 HG2 ARG 11 5.299 -4.741 -8.578 92 2HG ARG 11 HG1 ARG 11 5.404 -6.085 -7.439 93 1HD ARG 11 HD2 ARG 11 5.877 -6.780 -9.743 94 2HD ARG 11 HD1 ARG 11 4.465 -7.592 -9.081 95 HE ARG 11 HE ARG 11 3.196 -5.745 -10.343 96 1HH1 ARG 11 HH11 ARG 11 6.168 -7.248 -11.421 97 2HH1 ARG 11 HH12 ARG 11 5.808 -7.051 -13.111 98 1HH2 ARG 11 HH21 ARG 11 2.719 -5.464 -12.558 99 2HH2 ARG 11 HH22 ARG 11 3.842 -6.034 -13.761 100 H VAL 12 HN VAL 12 5.305 -4.482 -4.819 101 HA VAL 12 HA VAL 12 5.373 -1.600 -5.164 102 HB VAL 12 HB VAL 12 5.553 -2.635 -2.893 103 1HG1 VAL 12 HG11 VAL 12 8.276 -3.489 -3.843 104 2HG1 VAL 12 HG12 VAL 12 6.928 -4.558 -3.453 105 3HG1 VAL 12 HG13 VAL 12 7.683 -3.588 -2.185 106 1HG2 VAL 12 HG21 VAL 12 7.355 -1.191 -2.100 107 2HG2 VAL 12 HG22 VAL 12 6.316 -0.368 -3.262 108 3HG2 VAL 12 HG23 VAL 12 7.901 -0.964 -3.760 109 H ARG 13 HN ARG 13 7.103 -0.459 -5.951 110 HA ARG 13 HA ARG 13 9.151 -2.013 -7.397 111 1HB ARG 13 HB2 ARG 13 7.200 -0.656 -8.635 112 2HB ARG 13 HB1 ARG 13 8.320 0.675 -8.379 113 1HG ARG 13 HG2 ARG 13 10.057 -0.556 -9.568 114 2HG ARG 13 HG1 ARG 13 8.937 -1.895 -9.820 115 1HD ARG 13 HD2 ARG 13 8.949 -0.621 -11.820 116 2HD ARG 13 HD1 ARG 13 7.429 -0.279 -11.000 117 HE ARG 13 HE ARG 13 8.735 1.776 -10.134 118 1HH1 ARG 13 HH11 ARG 13 9.112 0.320 -13.307 119 2HH1 ARG 13 HH12 ARG 13 9.580 1.815 -14.066 120 1HH2 ARG 13 HH21 ARG 13 9.336 3.732 -11.142 121 2HH2 ARG 13 HH22 ARG 13 9.699 3.753 -12.846 122 H GLY 14 HN GLY 14 10.996 -0.275 -8.052 123 1HA GLY 14 HA2 GLY 14 12.179 1.699 -7.407 124 2HA GLY 14 HA1 GLY 14 11.373 1.631 -5.848 125 H SER 15 HN SER 15 13.715 2.028 -5.267 126 HA SER 15 HA SER 15 15.492 -0.229 -5.433 127 1HB SER 15 HB2 SER 15 15.755 2.358 -3.879 128 2HB SER 15 HB1 SER 15 17.043 1.186 -4.155 129 HG SER 15 HG SER 15 15.694 2.180 -6.397 130 H LYS 16 HN LYS 16 14.522 -1.902 -4.352 131 HA LYS 16 HA LYS 16 14.807 -1.898 -1.499 132 1HB LYS 16 HB2 LYS 16 12.387 -2.829 -1.257 133 2HB LYS 16 HB1 LYS 16 12.640 -1.094 -1.306 134 1HG LYS 16 HG2 LYS 16 10.700 -1.845 -2.630 135 2HG LYS 16 HG1 LYS 16 11.906 -0.991 -3.590 136 1HD LYS 16 HD2 LYS 16 12.711 -3.037 -4.526 137 2HD LYS 16 HD1 LYS 16 11.737 -3.997 -3.413 138 1HE LYS 16 HE2 LYS 16 9.730 -3.339 -4.455 139 2HE LYS 16 HE1 LYS 16 10.541 -2.087 -5.406 140 1HZ LYS 16 HZ1 LYS 16 10.180 -3.885 -6.858 141 2HZ LYS 16 HZ2 LYS 16 10.693 -5.025 -5.716 142 3HZ LYS 16 HZ3 LYS 16 11.824 -3.992 -6.442 143 H LYS 17 HN LYS 17 13.433 -4.221 -0.903 144 HA LYS 17 HA LYS 17 14.629 -6.177 -2.752 145 1HB LYS 17 HB2 LYS 17 15.871 -5.709 -0.538 146 2HB LYS 17 HB1 LYS 17 14.541 -6.559 0.231 147 1HG LYS 17 HG2 LYS 17 15.052 -8.566 -1.003 148 2HG LYS 17 HG1 LYS 17 16.315 -7.723 -1.903 149 1HD LYS 17 HD2 LYS 17 17.511 -7.307 0.204 150 2HD LYS 17 HD1 LYS 17 16.263 -8.201 1.072 151 1HE LYS 17 HE2 LYS 17 16.817 -10.212 -0.190 152 2HE LYS 17 HE1 LYS 17 18.045 -9.317 -1.087 153 1HZ LYS 17 HZ1 LYS 17 19.201 -8.911 1.016 154 2HZ LYS 17 HZ2 LYS 17 19.051 -10.571 0.694 155 3HZ LYS 17 HZ3 LYS 17 18.042 -9.835 1.840 156 H TYR 18 HN TYR 18 11.838 -5.077 -2.177 157 HA TYR 18 HA TYR 18 10.521 -7.657 -1.693 158 1HB TYR 18 HB2 TYR 18 9.588 -4.882 -0.975 159 2HB TYR 18 HB1 TYR 18 8.531 -6.289 -0.951 160 HD1 TYR 18 HD2 TYR 18 9.006 -8.145 0.656 161 HD2 TYR 18 HD1 TYR 18 11.095 -4.442 0.805 162 HE1 TYR 18 HE2 TYR 18 9.721 -8.650 2.952 163 HE2 TYR 18 HE1 TYR 18 11.820 -4.943 3.099 164 HH TYR 18 HH TYR 18 11.587 -7.997 4.486 165 H ASN 19 HN ASN 19 8.377 -7.880 -2.778 166 HA ASN 19 HA ASN 19 8.305 -6.326 -5.288 167 1HB ASN 19 HB2 ASN 19 8.056 -9.272 -4.855 168 2HB ASN 19 HB1 ASN 19 7.139 -8.529 -6.160 169 1HD2 ASN 19 HD21 ASN 19 8.295 -9.621 -7.725 170 2HD2 ASN 19 HD22 ASN 19 9.932 -9.220 -8.121 171 H VAL 20 HN VAL 20 6.756 -6.804 -2.470 172 HA VAL 20 HA VAL 20 4.208 -5.943 -3.542 173 HB VAL 20 HB VAL 20 2.949 -7.620 -2.130 174 1HG1 VAL 20 HG11 VAL 20 4.535 -8.692 -4.460 175 2HG1 VAL 20 HG12 VAL 20 3.001 -7.825 -4.543 176 3HG1 VAL 20 HG13 VAL 20 3.072 -9.421 -3.796 177 1HG2 VAL 20 HG21 VAL 20 4.086 -9.738 -1.606 178 2HG2 VAL 20 HG22 VAL 20 4.767 -8.377 -0.714 179 3HG2 VAL 20 HG23 VAL 20 5.618 -9.027 -2.116 180 H VAL 21 HN VAL 21 2.892 -4.912 -2.021 181 HA VAL 21 HA VAL 21 3.821 -4.795 0.734 182 HB VAL 21 HB VAL 21 4.976 -2.920 -0.254 183 1HG1 VAL 21 HG11 VAL 21 3.614 -2.574 -2.230 184 2HG1 VAL 21 HG12 VAL 21 3.791 -1.067 -1.331 185 3HG1 VAL 21 HG13 VAL 21 2.286 -1.981 -1.232 186 1HG2 VAL 21 HG21 VAL 21 4.120 -2.605 1.989 187 2HG2 VAL 21 HG22 VAL 21 2.590 -2.014 1.347 188 3HG2 VAL 21 HG23 VAL 21 4.068 -1.085 1.100 189 HA PRO 22 HA PRO 22 -0.618 -5.142 1.319 190 1HB PRO 22 HB2 PRO 22 0.169 -4.705 4.127 191 2HB PRO 22 HB1 PRO 22 -0.729 -6.043 3.406 192 1HG PRO 22 HG2 PRO 22 1.810 -6.313 4.243 193 2HG PRO 22 HG1 PRO 22 1.176 -7.195 2.847 194 1HD PRO 22 HD2 PRO 22 2.953 -4.807 2.929 195 2HD PRO 22 HD1 PRO 22 2.949 -6.172 1.800 196 H VAL 23 HN VAL 23 -1.712 -3.399 0.764 197 HA VAL 23 HA VAL 23 -1.386 -0.933 2.334 198 HB VAL 23 HB VAL 23 -2.550 0.224 0.495 199 1HG1 VAL 23 HG11 VAL 23 -0.119 0.108 0.439 200 2HG1 VAL 23 HG12 VAL 23 -0.784 0.060 -1.194 201 3HG1 VAL 23 HG13 VAL 23 -0.201 -1.422 -0.437 202 1HG2 VAL 23 HG21 VAL 23 -2.974 -0.926 -1.624 203 2HG2 VAL 23 HG22 VAL 23 -3.924 -1.621 -0.310 204 3HG2 VAL 23 HG23 VAL 23 -2.480 -2.452 -0.891 205 H LYS 24 HN LYS 24 -3.321 0.115 3.103 206 HA LYS 24 HA LYS 24 -5.774 -1.445 2.993 207 1HB LYS 24 HB2 LYS 24 -5.993 -1.475 5.466 208 2HB LYS 24 HB1 LYS 24 -4.670 -2.468 4.873 209 1HG LYS 24 HG2 LYS 24 -3.103 -0.631 5.432 210 2HG LYS 24 HG1 LYS 24 -4.459 0.258 6.133 211 1HD LYS 24 HD2 LYS 24 -3.557 -2.484 7.011 212 2HD LYS 24 HD1 LYS 24 -3.111 -0.977 7.810 213 1HE LYS 24 HE2 LYS 24 -5.437 -0.522 8.318 214 2HE LYS 24 HE1 LYS 24 -5.935 -1.964 7.434 215 1HZ LYS 24 HZ1 LYS 24 -5.836 -2.252 9.882 216 2HZ LYS 24 HZ2 LYS 24 -4.153 -2.023 9.809 217 3HZ LYS 24 HZ3 LYS 24 -4.867 -3.347 9.022 218 H SER 25 HN SER 25 -7.500 -0.334 4.350 219 HA SER 25 HA SER 25 -7.342 2.554 3.831 220 1HB SER 25 HB2 SER 25 -9.827 0.861 4.140 221 2HB SER 25 HB1 SER 25 -9.720 2.507 3.512 222 HG SER 25 HG SER 25 -8.482 0.251 2.312 223 H ASN 26 HN ASN 26 -7.485 3.922 5.513 224 HA ASN 26 HA ASN 26 -7.707 2.844 8.176 225 1HB ASN 26 HB2 ASN 26 -7.154 5.010 8.974 226 2HB ASN 26 HB1 ASN 26 -6.198 4.776 7.517 227 1HD2 ASN 26 HD21 ASN 26 -6.734 5.952 5.645 228 2HD2 ASN 26 HD22 ASN 26 -7.716 7.384 5.731 229 H LYS 27 HN LYS 27 -9.892 3.792 5.869 230 HA LYS 27 HA LYS 27 -12.001 4.191 7.882 231 1HB LYS 27 HB2 LYS 27 -11.819 5.389 5.105 232 2HB LYS 27 HB1 LYS 27 -13.196 5.555 6.188 233 1HG LYS 27 HG2 LYS 27 -11.941 6.848 7.727 234 2HG LYS 27 HG1 LYS 27 -10.427 6.477 6.904 235 1HD LYS 27 HD2 LYS 27 -11.241 7.707 4.924 236 2HD LYS 27 HD1 LYS 27 -12.704 8.130 5.817 237 1HE LYS 27 HE2 LYS 27 -11.441 9.376 7.424 238 2HE LYS 27 HE1 LYS 27 -9.919 8.817 6.734 239 1HZ LYS 27 HZ1 LYS 27 -11.902 10.567 5.379 240 2HZ LYS 27 HZ2 LYS 27 -10.446 10.016 4.705 241 3HZ LYS 27 HZ3 LYS 27 -10.415 11.064 6.034 242 HA PRO 28 HA PRO 28 -13.742 0.507 6.209 243 1HB PRO 28 HB2 PRO 28 -16.379 0.918 6.790 244 2HB PRO 28 HB1 PRO 28 -15.176 0.439 7.990 245 1HG PRO 28 HG2 PRO 28 -16.298 3.148 7.409 246 2HG PRO 28 HG1 PRO 28 -15.942 2.394 8.974 247 1HD PRO 28 HD2 PRO 28 -14.306 4.221 7.830 248 2HD PRO 28 HD1 PRO 28 -13.697 2.900 8.847 249 H VAL 29 HN VAL 29 -14.297 -0.120 4.255 250 HA VAL 29 HA VAL 29 -15.374 1.890 2.401 251 HB VAL 29 HB VAL 29 -13.856 -0.607 1.663 252 1HG1 VAL 29 HG11 VAL 29 -13.410 0.616 -0.416 253 2HG1 VAL 29 HG12 VAL 29 -14.391 1.957 0.174 254 3HG1 VAL 29 HG13 VAL 29 -15.135 0.389 -0.134 255 1HG2 VAL 29 HG21 VAL 29 -12.745 2.143 2.212 256 2HG2 VAL 29 HG22 VAL 29 -11.851 0.821 1.457 257 3HG2 VAL 29 HG23 VAL 29 -12.419 0.665 3.123 258 H GLU 30 HN GLU 30 -17.180 1.467 1.269 259 HA GLU 30 HA GLU 30 -18.672 -0.930 1.877 260 1HB GLU 30 HB2 GLU 30 -20.418 0.164 0.434 261 2HB GLU 30 HB1 GLU 30 -19.928 1.094 1.844 262 1HG GLU 30 HG2 GLU 30 -18.251 2.183 0.148 263 2HG GLU 30 HG1 GLU 30 -19.423 1.610 -1.039 264 H ILE 31 HN ILE 31 -19.380 -2.440 0.330 265 HA ILE 31 HA ILE 31 -17.256 -3.143 -1.428 266 HB ILE 31 HB ILE 31 -18.711 -5.124 -1.976 267 1HG1 ILE 31 HG12 ILE 31 -20.460 -3.856 0.146 268 2HG1 ILE 31 HG11 ILE 31 -20.895 -4.132 -1.538 269 1HG2 ILE 31 HG21 ILE 31 -18.079 -4.555 0.918 270 2HG2 ILE 31 HG22 ILE 31 -16.965 -5.195 -0.289 271 3HG2 ILE 31 HG23 ILE 31 -18.352 -6.154 0.224 272 1HD1 ILE 31 HD11 ILE 31 -20.315 -6.268 0.502 273 2HD1 ILE 31 HD12 ILE 31 -20.782 -6.535 -1.180 274 3HD1 ILE 31 HD13 ILE 31 -21.913 -5.775 -0.061 275 H SER 32 HN SER 32 -19.675 -1.013 -1.973 276 HA SER 32 HA SER 32 -20.146 -1.679 -4.745 277 1HB SER 32 HB2 SER 32 -21.152 0.705 -4.701 278 2HB SER 32 HB1 SER 32 -21.950 -0.541 -3.737 279 HG SER 32 HG SER 32 -21.630 1.404 -2.556 280 H LYS 33 HN LYS 33 -18.054 0.365 -2.842 281 HA LYS 33 HA LYS 33 -16.832 1.563 -5.209 282 1HB LYS 33 HB2 LYS 33 -16.281 1.961 -2.257 283 2HB LYS 33 HB1 LYS 33 -15.507 2.857 -3.556 284 1HG LYS 33 HG2 LYS 33 -17.517 3.944 -4.142 285 2HG LYS 33 HG1 LYS 33 -18.483 2.849 -3.152 286 1HD LYS 33 HD2 LYS 33 -17.425 3.751 -1.132 287 2HD LYS 33 HD1 LYS 33 -16.470 4.852 -2.129 288 1HE LYS 33 HE2 LYS 33 -18.392 6.057 -2.805 289 2HE LYS 33 HE1 LYS 33 -19.477 4.815 -2.184 290 1HZ LYS 33 HZ1 LYS 33 -19.375 6.772 -0.744 291 2HZ LYS 33 HZ2 LYS 33 -17.713 6.519 -0.502 292 3HZ LYS 33 HZ3 LYS 33 -18.839 5.374 0.054 293 H TRP 34 HN TRP 34 -16.564 -1.194 -3.428 294 HA TRP 34 HA TRP 34 -13.847 -1.606 -2.988 295 1HB TRP 34 HB2 TRP 34 -15.784 -3.013 -2.184 296 2HB TRP 34 HB1 TRP 34 -15.860 -3.714 -3.793 297 HD1 TRP 34 HD1 TRP 34 -13.808 -3.774 -0.589 298 HE1 TRP 34 HE1 TRP 34 -12.188 -5.773 -0.666 299 HE3 TRP 34 HE3 TRP 34 -14.538 -5.217 -5.440 300 HZ2 TRP 34 HZ2 TRP 34 -11.335 -7.704 -2.540 301 HZ3 TRP 34 HZ3 TRP 34 -13.283 -7.153 -6.295 302 HH2 TRP 34 HH2 TRP 34 -11.714 -8.369 -4.873 303 H ILE 35 HN ILE 35 -15.809 -2.172 -5.865 304 HA ILE 35 HA ILE 35 -13.841 -3.539 -7.363 305 HB ILE 35 HB ILE 35 -16.154 -1.903 -8.422 306 1HG1 ILE 35 HG12 ILE 35 -16.056 -4.847 -7.717 307 2HG1 ILE 35 HG11 ILE 35 -16.840 -3.608 -6.744 308 1HG2 ILE 35 HG21 ILE 35 -14.599 -4.179 -9.654 309 2HG2 ILE 35 HG22 ILE 35 -14.511 -2.482 -10.127 310 3HG2 ILE 35 HG23 ILE 35 -16.004 -3.388 -10.367 311 1HD1 ILE 35 HD11 ILE 35 -18.459 -4.829 -8.062 312 2HD1 ILE 35 HD12 ILE 35 -17.596 -4.409 -9.543 313 3HD1 ILE 35 HD13 ILE 35 -18.375 -3.149 -8.588 314 H ASP 36 HN ASP 36 -14.779 -0.132 -7.172 315 HA ASP 36 HA ASP 36 -13.100 0.866 -9.183 316 1HB ASP 36 HB2 ASP 36 -14.343 2.086 -6.732 317 2HB ASP 36 HB1 ASP 36 -13.229 3.021 -7.723 318 H PHE 37 HN PHE 37 -12.568 0.444 -5.708 319 HA PHE 37 HA PHE 37 -9.984 1.519 -5.584 320 1HB PHE 37 HB2 PHE 37 -11.399 -0.546 -3.909 321 2HB PHE 37 HB1 PHE 37 -9.751 -0.038 -3.558 322 HD1 PHE 37 HD2 PHE 37 -12.161 2.360 -4.896 323 HD2 PHE 37 HD1 PHE 37 -10.395 0.763 -1.371 324 HE1 PHE 37 HE2 PHE 37 -13.020 4.271 -3.609 325 HE2 PHE 37 HE1 PHE 37 -11.249 2.668 -0.076 326 HZ PHE 37 HZ PHE 37 -12.559 4.422 -1.193 327 H SER 38 HN SER 38 -11.097 -1.751 -6.307 328 HA SER 38 HA SER 38 -8.566 -2.966 -6.453 329 1HB SER 38 HB2 SER 38 -11.083 -3.684 -7.980 330 2HB SER 38 HB1 SER 38 -9.699 -4.743 -7.697 331 HG SER 38 HG SER 38 -11.428 -3.647 -5.717 332 H ASN 39 HN ASN 39 -10.517 -1.247 -8.836 333 HA ASN 39 HA ASN 39 -8.877 -1.725 -11.082 334 1HB ASN 39 HB2 ASN 39 -10.792 0.521 -10.442 335 2HB ASN 39 HB1 ASN 39 -9.953 0.393 -11.983 336 1HD2 ASN 39 HD21 ASN 39 -12.820 0.287 -11.340 337 2HD2 ASN 39 HD22 ASN 39 -13.384 -1.216 -11.974 338 H VAL 40 HN VAL 40 -8.825 0.748 -8.574 339 HA VAL 40 HA VAL 40 -6.817 2.360 -9.758 340 HB VAL 40 HB VAL 40 -7.535 2.111 -6.830 341 1HG1 VAL 40 HG11 VAL 40 -5.361 3.170 -7.160 342 2HG1 VAL 40 HG12 VAL 40 -6.558 4.348 -6.617 343 3HG1 VAL 40 HG13 VAL 40 -6.077 4.297 -8.313 344 1HG2 VAL 40 HG21 VAL 40 -8.923 4.095 -7.218 345 2HG2 VAL 40 HG22 VAL 40 -9.462 2.722 -8.186 346 3HG2 VAL 40 HG23 VAL 40 -8.535 4.023 -8.937 347 H LEU 41 HN LEU 41 -6.691 -0.316 -7.421 348 HA LEU 41 HA LEU 41 -3.885 -0.132 -6.998 349 1HB LEU 41 HB2 LEU 41 -5.783 -2.442 -6.594 350 2HB LEU 41 HB1 LEU 41 -4.104 -2.452 -6.093 351 HG LEU 41 HG LEU 41 -6.297 -0.672 -5.032 352 1HD1 LEU 41 HD11 LEU 41 -4.635 -2.821 -3.729 353 2HD1 LEU 41 HD12 LEU 41 -6.331 -2.957 -4.191 354 3HD1 LEU 41 HD13 LEU 41 -5.851 -1.821 -2.930 355 1HD2 LEU 41 HD21 LEU 41 -4.215 0.591 -5.197 356 2HD2 LEU 41 HD22 LEU 41 -3.358 -0.695 -4.345 357 3HD2 LEU 41 HD23 LEU 41 -4.606 0.234 -3.515 358 H SER 42 HN SER 42 -5.794 -1.473 -9.522 359 HA SER 42 HA SER 42 -3.663 -3.102 -10.595 360 1HB SER 42 HB2 SER 42 -6.057 -3.688 -10.925 361 2HB SER 42 HB1 SER 42 -6.264 -2.217 -11.877 362 HG SER 42 HG SER 42 -4.298 -3.298 -13.047 363 H ARG 43 HN ARG 43 -3.934 0.065 -10.268 364 HA ARG 43 HA ARG 43 -2.514 0.642 -12.781 365 1HB ARG 43 HB2 ARG 43 -4.697 1.690 -12.872 366 2HB ARG 43 HB1 ARG 43 -4.478 2.384 -11.275 367 1HG ARG 43 HG2 ARG 43 -4.209 4.032 -13.071 368 2HG ARG 43 HG1 ARG 43 -2.746 3.847 -12.103 369 1HD ARG 43 HD2 ARG 43 -2.299 3.993 -14.533 370 2HD ARG 43 HD1 ARG 43 -1.724 2.495 -13.804 371 HE ARG 43 HE ARG 43 -4.085 1.697 -14.701 372 1HH1 ARG 43 HH11 ARG 43 -1.686 3.720 -16.264 373 2HH1 ARG 43 HH12 ARG 43 -2.045 3.124 -17.861 374 1HH2 ARG 43 HH21 ARG 43 -4.579 0.941 -16.782 375 2HH2 ARG 43 HH22 ARG 43 -3.731 1.580 -18.164 376 H LEU 44 HN LEU 44 -2.802 1.111 -9.346 377 HA LEU 44 HA LEU 44 -0.712 3.055 -9.129 378 1HB LEU 44 HB2 LEU 44 -2.556 2.983 -7.534 379 2HB LEU 44 HB1 LEU 44 -2.090 1.367 -7.042 380 HG LEU 44 HG LEU 44 0.080 2.311 -6.227 381 1HD1 LEU 44 HD11 LEU 44 0.214 4.727 -5.864 382 2HD1 LEU 44 HD12 LEU 44 -1.298 4.941 -6.746 383 3HD1 LEU 44 HD13 LEU 44 0.130 4.330 -7.581 384 1HD2 LEU 44 HD21 LEU 44 -0.862 3.246 -4.189 385 2HD2 LEU 44 HD22 LEU 44 -1.783 1.838 -4.717 386 3HD2 LEU 44 HD23 LEU 44 -2.417 3.461 -4.990 387 H TYR 45 HN TYR 45 1.313 2.481 -9.580 388 HA TYR 45 HA TYR 45 2.389 0.127 -8.183 389 1HB TYR 45 HB2 TYR 45 3.176 1.384 -10.803 390 2HB TYR 45 HB1 TYR 45 4.328 0.422 -9.881 391 HD1 TYR 45 HD1 TYR 45 0.932 0.254 -11.415 392 HD2 TYR 45 HD2 TYR 45 4.369 -1.890 -10.107 393 HE1 TYR 45 HE1 TYR 45 0.013 -1.808 -12.393 394 HE2 TYR 45 HE2 TYR 45 3.459 -3.955 -11.084 395 HH TYR 45 HH TYR 45 0.752 -3.961 -13.190 396 H VAL 46 HN VAL 46 3.317 0.781 -6.360 397 HA VAL 46 HA VAL 46 4.321 3.514 -6.202 398 HB VAL 46 HB VAL 46 4.468 3.063 -3.732 399 1HG1 VAL 46 HG11 VAL 46 2.573 4.234 -4.700 400 2HG1 VAL 46 HG12 VAL 46 2.040 3.197 -3.377 401 3HG1 VAL 46 HG13 VAL 46 1.779 2.699 -5.049 402 1HG2 VAL 46 HG21 VAL 46 3.272 1.134 -2.829 403 2HG2 VAL 46 HG22 VAL 46 4.632 0.618 -3.826 404 3HG2 VAL 46 HG23 VAL 46 2.989 0.532 -4.462 405 H GLY 47 HN GLY 47 6.395 3.947 -6.390 406 1HA GLY 47 HA2 GLY 47 8.311 1.745 -6.001 407 2HA GLY 47 HA1 GLY 47 8.584 3.153 -7.022 408 H VAL 48 HN VAL 48 7.143 3.537 -3.910 409 HA VAL 48 HA VAL 48 9.648 4.728 -2.926 410 HB VAL 48 HB VAL 48 6.827 5.424 -2.079 411 1HG1 VAL 48 HG11 VAL 48 7.878 7.303 -0.911 412 2HG1 VAL 48 HG12 VAL 48 9.468 6.712 -1.394 413 3HG1 VAL 48 HG13 VAL 48 8.464 5.753 -0.306 414 1HG2 VAL 48 HG21 VAL 48 7.203 7.556 -3.247 415 2HG2 VAL 48 HG22 VAL 48 7.226 6.179 -4.349 416 3HG2 VAL 48 HG23 VAL 48 8.739 6.938 -3.855 417 HA PRO 49 HA PRO 49 9.130 1.310 0.002 418 1HB PRO 49 HB2 PRO 49 11.937 1.807 0.609 419 2HB PRO 49 HB1 PRO 49 11.188 0.357 -0.061 420 1HG PRO 49 HG2 PRO 49 12.822 1.962 -1.508 421 2HG PRO 49 HG1 PRO 49 11.488 1.045 -2.234 422 1HD PRO 49 HD2 PRO 49 11.603 3.938 -1.469 423 2HD PRO 49 HD1 PRO 49 10.912 3.187 -2.924 424 H THR 50 HN THR 50 7.860 2.487 1.426 425 HA THR 50 HA THR 50 9.278 4.212 3.336 426 HB THR 50 HB THR 50 6.590 4.553 3.831 427 HG1 THR 50 HG1 THR 50 5.706 3.719 2.055 428 1HG2 THR 50 HG21 THR 50 8.380 6.138 1.977 429 2HG2 THR 50 HG22 THR 50 8.266 6.327 3.727 430 3HG2 THR 50 HG23 THR 50 6.886 6.728 2.706 431 H LYS 51 HN LYS 51 8.577 4.081 5.610 432 HA LYS 51 HA LYS 51 8.293 1.245 6.278 433 1HB LYS 51 HB2 LYS 51 9.587 3.524 7.764 434 2HB LYS 51 HB1 LYS 51 9.325 1.939 8.481 435 1HG LYS 51 HG2 LYS 51 10.732 0.911 6.801 436 2HG LYS 51 HG1 LYS 51 10.936 2.461 5.987 437 1HD LYS 51 HD2 LYS 51 11.769 1.955 8.839 438 2HD LYS 51 HD1 LYS 51 12.849 1.753 7.459 439 1HE LYS 51 HE2 LYS 51 11.402 4.314 8.119 440 2HE LYS 51 HE1 LYS 51 13.054 3.956 8.619 441 1HZ LYS 51 HZ1 LYS 51 12.919 5.305 6.577 442 2HZ LYS 51 HZ2 LYS 51 12.129 4.026 5.794 443 3HZ LYS 51 HZ3 LYS 51 13.725 3.834 6.332 444 H SER 52 HN SER 52 5.965 1.437 6.031 445 HA SER 52 HA SER 52 3.926 1.226 7.002 446 1HB SER 52 HB2 SER 52 5.241 0.349 8.939 447 2HB SER 52 HB1 SER 52 5.255 1.979 9.608 448 HG SER 52 HG SER 52 3.442 1.392 10.480 449 H GLY 53 HN GLY 53 2.131 2.417 7.828 450 1HA GLY 53 HA2 GLY 53 0.845 4.267 8.195 451 2HA GLY 53 HA1 GLY 53 2.251 4.938 9.005 452 H ASN 54 HN ASN 54 2.192 4.011 5.626 453 HA ASN 54 HA ASN 54 2.608 6.873 5.029 454 1HB ASN 54 HB2 ASN 54 3.870 6.115 3.006 455 2HB ASN 54 HB1 ASN 54 4.618 5.675 4.536 456 1HD2 ASN 54 HD21 ASN 54 4.713 3.537 5.142 457 2HD2 ASN 54 HD22 ASN 54 4.399 2.244 4.036 458 H VAL 55 HN VAL 55 1.115 7.872 3.992 459 HA VAL 55 HA VAL 55 -1.081 6.452 2.777 460 HB VAL 55 HB VAL 55 -0.593 9.436 2.767 461 1HG1 VAL 55 HG11 VAL 55 -2.299 8.694 1.219 462 2HG1 VAL 55 HG12 VAL 55 -3.036 9.563 2.565 463 3HG1 VAL 55 HG13 VAL 55 -3.111 7.802 2.505 464 1HG2 VAL 55 HG21 VAL 55 -2.037 7.795 4.849 465 2HG2 VAL 55 HG22 VAL 55 -1.982 9.557 4.781 466 3HG2 VAL 55 HG23 VAL 55 -0.503 8.639 5.070 467 H VAL 56 HN VAL 56 -0.776 5.635 0.781 468 HA VAL 56 HA VAL 56 0.970 6.988 -1.099 469 HB VAL 56 HB VAL 56 0.262 5.094 -2.656 470 1HG1 VAL 56 HG11 VAL 56 2.400 5.157 -1.488 471 2HG1 VAL 56 HG12 VAL 56 1.772 3.511 -1.544 472 3HG1 VAL 56 HG13 VAL 56 1.653 4.449 -0.056 473 1HG2 VAL 56 HG21 VAL 56 -0.868 4.012 -0.076 474 2HG2 VAL 56 HG22 VAL 56 -0.655 3.098 -1.569 475 3HG2 VAL 56 HG23 VAL 56 -1.791 4.446 -1.516 476 H CYS 57 HN CYS 57 -2.475 6.291 -0.757 477 HA CYS 57 HA CYS 57 -2.963 8.434 -2.702 478 1HB CYS 57 HB2 CYS 57 -4.501 5.837 -2.492 479 2HB CYS 57 HB1 CYS 57 -4.960 7.203 -3.504 480 HG CYS 57 HG CYS 57 -1.963 6.686 -4.401 481 H LYS 58 HN LYS 58 -3.526 10.019 -1.304 482 HA LYS 58 HA LYS 58 -5.343 9.454 0.883 483 1HB LYS 58 HB2 LYS 58 -3.378 11.152 0.901 484 2HB LYS 58 HB1 LYS 58 -4.487 12.209 0.033 485 1HG LYS 58 HG2 LYS 58 -6.099 11.997 1.866 486 2HG LYS 58 HG1 LYS 58 -4.951 10.982 2.738 487 1HD LYS 58 HD2 LYS 58 -3.332 12.902 2.621 488 2HD LYS 58 HD1 LYS 58 -4.665 13.888 2.010 489 1HE LYS 58 HE2 LYS 58 -4.427 12.533 4.685 490 2HE LYS 58 HE1 LYS 58 -4.562 14.260 4.352 491 1HZ LYS 58 HZ1 LYS 58 -6.677 12.196 3.978 492 2HZ LYS 58 HZ2 LYS 58 -6.822 13.816 3.482 493 3HZ LYS 58 HZ3 LYS 58 -6.660 13.448 5.128 494 H ASN 59 HN ASN 59 -7.472 9.539 0.700 495 HA ASN 59 HA ASN 59 -9.516 9.654 -0.241 496 1HB ASN 59 HB2 ASN 59 -9.308 12.078 0.023 497 2HB ASN 59 HB1 ASN 59 -8.452 12.192 -1.510 498 1HD2 ASN 59 HD21 ASN 59 -9.595 12.207 -3.394 499 2HD2 ASN 59 HD22 ASN 59 -11.322 12.240 -3.465 500 H ILE 60 HN ILE 60 -8.829 7.722 -1.298 501 HA ILE 60 HA ILE 60 -7.887 7.787 -3.994 502 HB ILE 60 HB ILE 60 -7.356 5.861 -2.681 503 1HG1 ILE 60 HG12 ILE 60 -9.453 5.081 -4.720 504 2HG1 ILE 60 HG11 ILE 60 -7.771 5.459 -5.080 505 1HG2 ILE 60 HG21 ILE 60 -10.314 5.417 -2.343 506 2HG2 ILE 60 HG22 ILE 60 -9.190 5.961 -1.097 507 3HG2 ILE 60 HG23 ILE 60 -9.038 4.340 -1.776 508 1HD1 ILE 60 HD11 ILE 60 -8.131 3.068 -5.059 509 2HD1 ILE 60 HD12 ILE 60 -8.756 3.157 -3.412 510 3HD1 ILE 60 HD13 ILE 60 -7.065 3.541 -3.736 511 H MET 61 HN MET 61 -8.992 7.946 -5.811 512 HA MET 61 HA MET 61 -10.674 8.287 -7.281 513 1HB MET 61 HB2 MET 61 -12.242 6.609 -5.320 514 2HB MET 61 HB1 MET 61 -12.877 7.150 -6.866 515 1HG MET 61 HG2 MET 61 -10.429 5.436 -6.517 516 2HG MET 61 HG1 MET 61 -12.037 4.836 -6.908 517 1HE MET 61 HE1 MET 61 -12.681 6.416 -10.412 518 2HE MET 61 HE2 MET 61 -13.104 7.115 -8.848 519 3HE MET 61 HE3 MET 61 -13.315 5.387 -9.128 520 H ASN 62 HN ASN 62 -12.709 8.275 -4.406 521 HA ASN 62 HA ASN 62 -12.638 10.910 -3.658 522 1HB ASN 62 HB2 ASN 62 -13.436 11.440 -5.967 523 2HB ASN 62 HB1 ASN 62 -14.889 10.497 -5.647 524 1HD2 ASN 62 HD21 ASN 62 -16.300 12.176 -5.834 525 2HD2 ASN 62 HD22 ASN 62 -16.378 13.485 -4.695 526 H THR 63 HN THR 63 -12.873 9.507 -1.801 527 HA THR 63 HA THR 63 -15.616 9.490 -0.933 528 HB THR 63 HB THR 63 -15.441 7.317 -2.101 529 HG1 THR 63 HG1 THR 63 -16.023 7.591 0.598 530 1HG2 THR 63 HG21 THR 63 -14.057 5.534 -1.154 531 2HG2 THR 63 HG22 THR 63 -13.347 6.687 -0.023 532 3HG2 THR 63 HG23 THR 63 -13.075 6.868 -1.756 533 H GLY 64 HN GLY 64 -12.711 10.426 -0.273 534 1HA GLY 64 HA2 GLY 64 -11.916 11.267 1.726 535 2HA GLY 64 HA1 GLY 64 -13.165 10.372 2.571 536 H VAL 65 HN VAL 65 -12.129 7.878 1.082 537 HA VAL 65 HA VAL 65 -10.631 6.948 3.287 538 HB VAL 65 HB VAL 65 -11.143 5.697 0.588 539 1HG1 VAL 65 HG11 VAL 65 -10.346 3.596 1.566 540 2HG1 VAL 65 HG12 VAL 65 -9.864 4.462 3.026 541 3HG1 VAL 65 HG13 VAL 65 -9.064 4.804 1.492 542 1HG2 VAL 65 HG21 VAL 65 -12.280 5.153 3.328 543 2HG2 VAL 65 HG22 VAL 65 -12.684 4.276 1.852 544 3HG2 VAL 65 HG23 VAL 65 -13.109 5.982 2.009 545 H ASP 66 HN ASP 66 -8.602 7.242 3.735 546 HA ASP 66 HA ASP 66 -6.657 7.872 1.647 547 1HB ASP 66 HB2 ASP 66 -5.868 7.635 4.518 548 2HB ASP 66 HB1 ASP 66 -5.322 8.780 3.302 549 H ILE 67 HN ILE 67 -5.432 6.297 0.812 550 HA ILE 67 HA ILE 67 -5.469 3.662 2.062 551 HB ILE 67 HB ILE 67 -4.253 4.528 -0.576 552 1HG1 ILE 67 HG12 ILE 67 -6.701 4.784 -0.530 553 2HG1 ILE 67 HG11 ILE 67 -6.212 3.483 -1.610 554 1HG2 ILE 67 HG21 ILE 67 -3.192 2.524 0.317 555 2HG2 ILE 67 HG22 ILE 67 -4.176 2.135 -1.094 556 3HG2 ILE 67 HG23 ILE 67 -4.770 1.765 0.524 557 1HD1 ILE 67 HD11 ILE 67 -6.794 1.849 0.120 558 2HD1 ILE 67 HD12 ILE 67 -8.169 2.859 -0.332 559 3HD1 ILE 67 HD13 ILE 67 -7.307 3.164 1.178 560 H ILE 68 HN ILE 68 -3.885 2.945 3.310 561 HA ILE 68 HA ILE 68 -1.246 4.251 3.119 562 HB ILE 68 HB ILE 68 -0.966 3.736 5.552 563 1HG1 ILE 68 HG12 ILE 68 -3.947 3.241 5.419 564 2HG1 ILE 68 HG11 ILE 68 -2.716 2.031 5.764 565 1HG2 ILE 68 HG21 ILE 68 -1.484 5.979 4.766 566 2HG2 ILE 68 HG22 ILE 68 -2.232 5.659 6.329 567 3HG2 ILE 68 HG23 ILE 68 -3.207 5.623 4.860 568 1HD1 ILE 68 HD11 ILE 68 -2.140 3.167 7.816 569 2HD1 ILE 68 HD12 ILE 68 -3.866 2.804 7.779 570 3HD1 ILE 68 HD13 ILE 68 -3.300 4.445 7.457 571 H CYS 69 HN CYS 69 0.521 2.957 3.034 572 HA CYS 69 HA CYS 69 0.116 0.071 3.054 573 1HB CYS 69 HB2 CYS 69 2.804 1.355 2.743 574 2HB CYS 69 HB1 CYS 69 2.182 -0.123 2.016 575 HG CYS 69 HG CYS 69 2.331 2.878 0.749 576 H THR 70 HN THR 70 0.479 -1.115 4.826 577 HA THR 70 HA THR 70 1.543 0.339 7.150 578 HB THR 70 HB THR 70 -0.779 -0.577 7.269 579 HG1 THR 70 HG1 THR 70 1.150 -1.669 9.059 580 1HG2 THR 70 HG21 THR 70 -1.121 -2.997 7.482 581 2HG2 THR 70 HG22 THR 70 0.585 -3.265 7.125 582 3HG2 THR 70 HG23 THR 70 -0.473 -2.573 5.896 583 H LYS 71 HN LYS 71 2.831 -1.535 4.908 584 HA LYS 71 HA LYS 71 4.333 -3.256 6.735 585 1HB LYS 71 HB2 LYS 71 3.455 -4.180 4.583 586 2HB LYS 71 HB1 LYS 71 4.511 -3.071 3.721 587 1HG LYS 71 HG2 LYS 71 6.461 -4.135 4.774 588 2HG LYS 71 HG1 LYS 71 5.382 -5.272 5.584 589 1HD LYS 71 HD2 LYS 71 4.557 -5.934 3.291 590 2HD LYS 71 HD1 LYS 71 5.890 -4.986 2.629 591 1HE LYS 71 HE2 LYS 71 6.490 -7.344 2.782 592 2HE LYS 71 HE1 LYS 71 7.486 -6.367 3.861 593 1HZ LYS 71 HZ1 LYS 71 5.099 -7.936 4.683 594 2HZ LYS 71 HZ2 LYS 71 6.102 -7.036 5.714 595 3HZ LYS 71 HZ3 LYS 71 6.710 -8.408 4.928 596 H ASN 72 HN ASN 72 6.582 -3.065 6.962 597 HA ASN 72 HA ASN 72 7.487 -0.345 6.459 598 1HB ASN 72 HB2 ASN 72 8.653 -2.518 8.210 599 2HB ASN 72 HB1 ASN 72 9.358 -0.917 8.015 600 1HD2 ASN 72 HD21 ASN 72 5.936 -1.769 8.287 601 2HD2 ASN 72 HD22 ASN 72 5.648 -0.899 9.748 602 H LEU 73 HN LEU 73 8.307 -0.104 4.499 603 HA LEU 73 HA LEU 73 9.949 -2.238 3.357 604 1HB LEU 73 HB2 LEU 73 8.908 0.310 2.120 605 2HB LEU 73 HB1 LEU 73 9.777 -0.952 1.270 606 HG LEU 73 HG LEU 73 7.087 -1.337 2.584 607 1HD1 LEU 73 HD11 LEU 73 7.799 -0.850 -0.300 608 2HD1 LEU 73 HD12 LEU 73 6.899 0.236 0.758 609 3HD1 LEU 73 HD13 LEU 73 6.206 -1.317 0.292 610 1HD2 LEU 73 HD21 LEU 73 8.404 -3.385 2.394 611 2HD2 LEU 73 HD22 LEU 73 8.657 -3.072 0.676 612 3HD2 LEU 73 HD23 LEU 73 7.034 -3.405 1.284 613 HA PRO 74 HA PRO 74 13.488 0.290 4.560 614 1HB PRO 74 HB2 PRO 74 15.072 -2.026 3.783 615 2HB PRO 74 HB1 PRO 74 14.856 -1.322 5.385 616 1HG PRO 74 HG2 PRO 74 13.851 -3.749 4.684 617 2HG PRO 74 HG1 PRO 74 13.097 -2.701 5.899 618 1HD PRO 74 HD2 PRO 74 12.353 -3.113 3.024 619 2HD PRO 74 HD1 PRO 74 11.303 -2.966 4.451 620 H LYS 75 HN LYS 75 14.028 1.765 3.072 621 HA LYS 75 HA LYS 75 14.248 1.117 0.286 622 1HB LYS 75 HB2 LYS 75 13.415 3.310 1.000 623 2HB LYS 75 HB1 LYS 75 14.958 3.658 1.771 624 1HG LYS 75 HG2 LYS 75 16.059 3.537 -0.424 625 2HG LYS 75 HG1 LYS 75 14.491 3.254 -1.177 626 1HD LYS 75 HD2 LYS 75 13.708 5.425 -0.383 627 2HD LYS 75 HD1 LYS 75 15.260 5.701 0.412 628 1HE LYS 75 HE2 LYS 75 16.381 5.571 -1.773 629 2HE LYS 75 HE1 LYS 75 14.812 5.357 -2.550 630 1HZ LYS 75 HZ1 LYS 75 14.149 7.527 -1.779 631 2HZ LYS 75 HZ2 LYS 75 15.598 7.655 -2.651 632 3HZ LYS 75 HZ3 LYS 75 15.617 7.730 -0.955 633 H ASP 76 HN ASP 76 15.991 0.460 -0.772 634 HA ASP 76 HA ASP 76 18.597 0.683 0.585 635 1HB ASP 76 HB2 ASP 76 17.615 -1.638 0.125 636 2HB ASP 76 HB1 ASP 76 17.902 -1.306 -1.578 637 H SER 77 HN SER 77 19.205 2.654 -0.219 638 HA SER 77 HA SER 77 18.776 3.358 -2.965 639 1HB SER 77 HB2 SER 77 20.313 4.803 -0.794 640 2HB SER 77 HB1 SER 77 19.858 5.483 -2.358 641 HG SER 77 HG SER 77 18.438 5.513 -0.158 642 H LEU 78 HN LEU 78 19.959 2.173 -4.358 643 HA LEU 78 HA LEU 78 22.874 2.074 -3.946 644 1HB LEU 78 HB2 LEU 78 21.141 0.320 -5.689 645 2HB LEU 78 HB1 LEU 78 22.874 0.159 -5.475 646 HG LEU 78 HG LEU 78 20.796 -0.239 -3.319 647 1HD1 LEU 78 HD11 LEU 78 22.516 -2.231 -4.792 648 2HD1 LEU 78 HD12 LEU 78 20.781 -2.005 -5.010 649 3HD1 LEU 78 HD13 LEU 78 21.406 -2.593 -3.470 650 1HD2 LEU 78 HD21 LEU 78 22.664 -1.069 -1.976 651 2HD2 LEU 78 HD22 LEU 78 22.894 0.622 -2.422 652 3HD2 LEU 78 HD23 LEU 78 23.785 -0.644 -3.268 653 H GLU 79 HN GLU 79 20.349 3.223 -5.996 654 HA GLU 79 HA GLU 79 22.113 3.559 -8.299 655 1HB GLU 79 HB2 GLU 79 19.696 2.708 -8.396 656 2HB GLU 79 HB1 GLU 79 19.215 4.371 -8.093 657 1HG GLU 79 HG2 GLU 79 20.380 5.072 -10.127 658 2HG GLU 79 HG1 GLU 79 20.837 3.397 -10.436 659 H HIS 80 HN HIS 80 22.773 5.076 -6.014 660 HA HIS 80 HA HIS 80 22.619 7.753 -7.124 661 1HB HIS 80 HB2 HIS 80 20.700 7.122 -5.311 662 2HB HIS 80 HB1 HIS 80 21.982 7.649 -4.228 663 HD1 HIS 80 HD1 HIS 80 21.586 10.007 -3.579 664 HD2 HIS 80 HD2 HIS 80 20.520 9.282 -7.535 665 HE1 HIS 80 HE1 HIS 80 20.810 12.216 -4.490 666 HE2 HIS 80 HE2 HIS 80 19.897 11.677 -6.773 667 H HIS 81 HN HIS 81 24.102 9.241 -5.941 668 HA HIS 81 HA HIS 81 25.961 9.826 -4.785 669 1HB HIS 81 HB2 HIS 81 25.567 7.120 -3.564 670 2HB HIS 81 HB1 HIS 81 27.065 7.997 -3.284 671 HD1 HIS 81 HD1 HIS 81 24.844 7.293 -1.108 672 HD2 HIS 81 HD2 HIS 81 25.453 10.971 -2.955 673 HE1 HIS 81 HE1 HIS 81 23.888 9.010 0.461 674 HE2 HIS 81 HE2 HIS 81 24.474 11.231 -0.577 675 H HIS 82 HN HIS 82 26.310 6.475 -5.952 676 HA HIS 82 HA HIS 82 29.039 6.353 -6.015 677 1HB HIS 82 HB2 HIS 82 27.024 4.992 -7.786 678 2HB HIS 82 HB1 HIS 82 28.748 4.639 -7.871 679 HD1 HIS 82 HD1 HIS 82 29.835 3.598 -5.674 680 HD2 HIS 82 HD2 HIS 82 25.676 3.760 -5.735 681 HE1 HIS 82 HE1 HIS 82 29.067 2.070 -3.834 682 HE2 HIS 82 HE2 HIS 82 26.551 2.129 -3.924 683 H HIS 83 HN HIS 83 27.147 6.964 -9.013 684 HA HIS 83 HA HIS 83 29.372 8.663 -9.880 685 1HB HIS 83 HB2 HIS 83 29.735 7.525 -11.931 686 2HB HIS 83 HB1 HIS 83 29.747 6.291 -10.679 687 HD1 HIS 83 HD1 HIS 83 28.315 7.059 -13.890 688 HD2 HIS 83 HD2 HIS 83 27.140 4.856 -10.564 689 HE1 HIS 83 HE1 HIS 83 26.491 5.524 -14.699 690 HE2 HIS 83 HE2 HIS 83 26.001 4.024 -12.732 691 H HIS 84 HN HIS 84 26.322 8.699 -9.251 692 HA HIS 84 HA HIS 84 24.534 9.946 -9.882 693 1HB HIS 84 HB2 HIS 84 25.698 11.873 -10.430 694 2HB HIS 84 HB1 HIS 84 26.628 11.086 -11.695 695 HD1 HIS 84 HD1 HIS 84 23.219 12.611 -11.070 696 HD2 HIS 84 HD2 HIS 84 25.585 11.305 -14.232 697 HE1 HIS 84 HE1 HIS 84 22.044 13.367 -13.159 698 HE2 HIS 84 HE2 HIS 84 23.548 12.666 -15.054 699 H HIS 85 HN HIS 85 22.738 9.639 -11.144 700 HA HIS 85 HA HIS 85 23.032 7.637 -13.273 701 1HB HIS 85 HB2 HIS 85 21.492 7.153 -11.330 702 2HB HIS 85 HB1 HIS 85 20.483 8.487 -11.880 703 HD1 HIS 85 HD1 HIS 85 19.135 8.133 -14.094 704 HD2 HIS 85 HD2 HIS 85 21.319 4.820 -12.833 705 HE1 HIS 85 HE1 HIS 85 18.265 6.189 -15.434 706 HE2 HIS 85 HE2 HIS 85 19.681 4.218 -14.741 Start of MODEL 15 1 1H MET 1 HT1 MET 1 -24.986 -4.409 8.115 2 2H MET 1 HT2 MET 1 -24.975 -3.296 9.392 3 3H MET 1 HT3 MET 1 -23.792 -4.506 9.314 4 HA MET 1 HA MET 1 -24.140 -2.322 7.343 5 1HB MET 1 HB2 MET 1 -22.121 -2.706 9.563 6 2HB MET 1 HB1 MET 1 -21.905 -1.565 8.245 7 1HG MET 1 HG2 MET 1 -22.704 -0.368 10.129 8 2HG MET 1 HG1 MET 1 -24.011 -0.451 8.951 9 1HE MET 1 HE1 MET 1 -25.725 0.307 10.828 10 2HE MET 1 HE2 MET 1 -24.425 0.372 12.017 11 3HE MET 1 HE3 MET 1 -25.909 -0.511 12.380 12 H HIS 2 HN HIS 2 -22.682 -2.364 5.622 13 HA HIS 2 HA HIS 2 -21.034 -4.794 5.452 14 1HB HIS 2 HB2 HIS 2 -21.572 -5.118 3.144 15 2HB HIS 2 HB1 HIS 2 -23.077 -4.987 4.034 16 HD1 HIS 2 HD1 HIS 2 -22.923 -4.594 1.003 17 HD2 HIS 2 HD2 HIS 2 -22.793 -1.486 3.763 18 HE1 HIS 2 HE1 HIS 2 -23.672 -2.544 -0.249 19 HE2 HIS 2 HE2 HIS 2 -23.778 -0.723 1.487 20 H LYS 3 HN LYS 3 -20.434 -2.123 6.303 21 HA LYS 3 HA LYS 3 -18.572 -1.070 4.358 22 1HB LYS 3 HB2 LYS 3 -19.269 -0.430 7.216 23 2HB LYS 3 HB1 LYS 3 -17.840 0.258 6.469 24 1HG LYS 3 HG2 LYS 3 -20.501 0.549 5.149 25 2HG LYS 3 HG1 LYS 3 -20.051 1.597 6.495 26 1HD LYS 3 HD2 LYS 3 -17.922 2.101 5.202 27 2HD LYS 3 HD1 LYS 3 -18.690 1.307 3.824 28 1HE LYS 3 HE2 LYS 3 -20.480 2.902 3.827 29 2HE LYS 3 HE1 LYS 3 -19.905 3.615 5.333 30 1HZ LYS 3 HZ1 LYS 3 -18.480 3.669 2.720 31 2HZ LYS 3 HZ2 LYS 3 -17.896 4.328 4.170 32 3HZ LYS 3 HZ3 LYS 3 -19.285 4.972 3.451 33 H ASP 4 HN ASP 4 -16.767 -2.223 3.956 34 HA ASP 4 HA ASP 4 -15.466 -3.567 6.235 35 1HB ASP 4 HB2 ASP 4 -15.730 -4.453 3.362 36 2HB ASP 4 HB1 ASP 4 -14.524 -5.138 4.447 37 H ILE 5 HN ILE 5 -13.316 -3.276 6.516 38 HA ILE 5 HA ILE 5 -12.037 -1.043 5.370 39 HB ILE 5 HB ILE 5 -10.933 -3.347 6.983 40 1HG1 ILE 5 HG12 ILE 5 -12.514 -1.811 8.132 41 2HG1 ILE 5 HG11 ILE 5 -10.895 -1.766 8.821 42 1HG2 ILE 5 HG21 ILE 5 -9.520 -0.806 6.183 43 2HG2 ILE 5 HG22 ILE 5 -9.156 -2.424 5.586 44 3HG2 ILE 5 HG23 ILE 5 -8.897 -2.034 7.286 45 1HD1 ILE 5 HD11 ILE 5 -12.103 0.265 6.957 46 2HD1 ILE 5 HD12 ILE 5 -10.450 0.302 7.569 47 3HD1 ILE 5 HD13 ILE 5 -11.808 0.459 8.685 48 H PHE 6 HN PHE 6 -11.103 -0.855 3.454 49 HA PHE 6 HA PHE 6 -10.613 -3.131 1.778 50 1HB PHE 6 HB2 PHE 6 -11.369 -0.971 0.847 51 2HB PHE 6 HB1 PHE 6 -9.876 -0.215 1.390 52 HD1 PHE 6 HD2 PHE 6 -11.251 -2.779 -0.902 53 HD2 PHE 6 HD1 PHE 6 -7.939 -0.285 0.063 54 HE1 PHE 6 HE2 PHE 6 -10.191 -3.359 -3.046 55 HE2 PHE 6 HE1 PHE 6 -6.878 -0.861 -2.080 56 HZ PHE 6 HZ PHE 6 -8.003 -2.401 -3.636 57 H THR 7 HN THR 7 -9.026 -4.414 2.493 58 HA THR 7 HA THR 7 -6.352 -3.221 2.729 59 HB THR 7 HB THR 7 -6.964 -3.905 4.951 60 HG1 THR 7 HG1 THR 7 -5.475 -6.148 4.458 61 1HG2 THR 7 HG21 THR 7 -7.639 -6.191 5.508 62 2HG2 THR 7 HG22 THR 7 -7.636 -6.613 3.797 63 3HG2 THR 7 HG23 THR 7 -8.793 -5.431 4.411 64 H SER 8 HN SER 8 -4.863 -4.067 1.383 65 HA SER 8 HA SER 8 -5.218 -6.684 0.201 66 1HB SER 8 HB2 SER 8 -5.403 -4.186 -1.509 67 2HB SER 8 HB1 SER 8 -5.304 -5.837 -2.123 68 HG SER 8 HG SER 8 -7.279 -5.705 -0.331 69 H VAL 9 HN VAL 9 -3.457 -7.046 -1.508 70 HA VAL 9 HA VAL 9 -1.002 -5.633 -0.697 71 HB VAL 9 HB VAL 9 -1.232 -8.412 -1.878 72 1HG1 VAL 9 HG11 VAL 9 1.135 -8.613 -1.254 73 2HG1 VAL 9 HG12 VAL 9 1.131 -6.924 -0.745 74 3HG1 VAL 9 HG13 VAL 9 0.864 -7.337 -2.439 75 1HG2 VAL 9 HG21 VAL 9 -2.141 -8.400 0.368 76 2HG2 VAL 9 HG22 VAL 9 -0.712 -7.558 0.969 77 3HG2 VAL 9 HG23 VAL 9 -0.572 -9.208 0.362 78 H VAL 10 HN VAL 10 -0.243 -4.286 -2.207 79 HA VAL 10 HA VAL 10 -1.133 -4.704 -4.978 80 HB VAL 10 HB VAL 10 -1.883 -2.604 -3.936 81 1HG1 VAL 10 HG11 VAL 10 -0.042 -2.207 -2.411 82 2HG1 VAL 10 HG12 VAL 10 -0.307 -0.809 -3.454 83 3HG1 VAL 10 HG13 VAL 10 1.040 -1.904 -3.770 84 1HG2 VAL 10 HG21 VAL 10 -1.158 -1.068 -5.714 85 2HG2 VAL 10 HG22 VAL 10 -1.609 -2.655 -6.338 86 3HG2 VAL 10 HG23 VAL 10 0.093 -2.220 -6.180 87 H ARG 11 HN ARG 11 0.371 -4.135 -6.692 88 HA ARG 11 HA ARG 11 2.876 -5.435 -6.274 89 1HB ARG 11 HB2 ARG 11 1.499 -5.573 -8.370 90 2HB ARG 11 HB1 ARG 11 1.943 -3.906 -8.709 91 1HG ARG 11 HG2 ARG 11 3.388 -5.236 -9.995 92 2HG ARG 11 HG1 ARG 11 4.351 -4.668 -8.630 93 1HD ARG 11 HD2 ARG 11 3.952 -6.803 -7.486 94 2HD ARG 11 HD1 ARG 11 3.032 -7.368 -8.877 95 HE ARG 11 HE ARG 11 5.929 -6.822 -8.856 96 1HH1 ARG 11 HH11 ARG 11 3.118 -8.401 -10.216 97 2HH1 ARG 11 HH12 ARG 11 4.033 -9.362 -11.343 98 1HH2 ARG 11 HH21 ARG 11 7.155 -8.078 -10.342 99 2HH2 ARG 11 HH22 ARG 11 6.324 -9.152 -11.429 100 H VAL 12 HN VAL 12 4.330 -4.333 -5.072 101 HA VAL 12 HA VAL 12 4.777 -1.505 -5.505 102 HB VAL 12 HB VAL 12 4.901 -2.394 -3.216 103 1HG1 VAL 12 HG11 VAL 12 5.752 -4.615 -3.685 104 2HG1 VAL 12 HG12 VAL 12 6.770 -3.791 -2.504 105 3HG1 VAL 12 HG13 VAL 12 7.300 -3.931 -4.180 106 1HG2 VAL 12 HG21 VAL 12 7.522 -1.362 -4.262 107 2HG2 VAL 12 HG22 VAL 12 7.069 -1.426 -2.561 108 3HG2 VAL 12 HG23 VAL 12 6.162 -0.403 -3.677 109 H ARG 13 HN ARG 13 6.422 -0.621 -6.646 110 HA ARG 13 HA ARG 13 8.379 -2.471 -7.847 111 1HB ARG 13 HB2 ARG 13 6.739 -0.336 -9.198 112 2HB ARG 13 HB1 ARG 13 8.237 -0.938 -9.899 113 1HG ARG 13 HG2 ARG 13 7.367 -3.111 -10.155 114 2HG ARG 13 HG1 ARG 13 5.986 -2.761 -9.115 115 1HD ARG 13 HD2 ARG 13 5.334 -2.814 -11.460 116 2HD ARG 13 HD1 ARG 13 5.116 -1.208 -10.770 117 HE ARG 13 HE ARG 13 7.637 -1.289 -11.974 118 1HH1 ARG 13 HH11 ARG 13 4.290 -1.579 -12.907 119 2HH1 ARG 13 HH12 ARG 13 4.501 -0.813 -14.451 120 1HH2 ARG 13 HH21 ARG 13 7.953 -0.311 -14.036 121 2HH2 ARG 13 HH22 ARG 13 6.585 -0.076 -15.091 122 H GLY 14 HN GLY 14 10.110 -0.948 -9.068 123 1HA GLY 14 HA2 GLY 14 11.527 0.937 -8.893 124 2HA GLY 14 HA1 GLY 14 10.749 1.355 -7.374 125 H SER 15 HN SER 15 13.159 1.639 -6.928 126 HA SER 15 HA SER 15 14.729 -0.715 -6.582 127 1HB SER 15 HB2 SER 15 16.235 0.964 -5.323 128 2HB SER 15 HB1 SER 15 15.965 1.215 -7.048 129 HG SER 15 HG SER 15 15.376 2.841 -4.982 130 H LYS 16 HN LYS 16 13.855 -2.147 -5.187 131 HA LYS 16 HA LYS 16 14.379 -1.719 -2.436 132 1HB LYS 16 HB2 LYS 16 11.963 -2.401 -1.747 133 2HB LYS 16 HB1 LYS 16 12.327 -0.718 -2.073 134 1HG LYS 16 HG2 LYS 16 10.160 -1.496 -2.990 135 2HG LYS 16 HG1 LYS 16 11.250 -0.822 -4.201 136 1HD LYS 16 HD2 LYS 16 11.793 -2.978 -5.032 137 2HD LYS 16 HD1 LYS 16 11.012 -3.774 -3.664 138 1HE LYS 16 HE2 LYS 16 8.867 -3.181 -4.411 139 2HE LYS 16 HE1 LYS 16 9.506 -2.026 -5.587 140 1HZ LYS 16 HZ1 LYS 16 10.361 -3.828 -6.894 141 2HZ LYS 16 HZ2 LYS 16 8.725 -4.139 -6.570 142 3HZ LYS 16 HZ3 LYS 16 9.932 -4.963 -5.711 143 H LYS 17 HN LYS 17 13.379 -3.741 -1.164 144 HA LYS 17 HA LYS 17 14.487 -6.022 -2.565 145 1HB LYS 17 HB2 LYS 17 15.119 -5.494 -0.226 146 2HB LYS 17 HB1 LYS 17 13.459 -5.788 0.267 147 1HG LYS 17 HG2 LYS 17 14.766 -7.714 0.798 148 2HG LYS 17 HG1 LYS 17 13.689 -8.123 -0.538 149 1HD LYS 17 HD2 LYS 17 15.556 -7.728 -2.112 150 2HD LYS 17 HD1 LYS 17 16.620 -7.428 -0.737 151 1HE LYS 17 HE2 LYS 17 16.935 -9.693 -1.456 152 2HE LYS 17 HE1 LYS 17 16.093 -9.715 0.093 153 1HZ LYS 17 HZ1 LYS 17 14.838 -10.057 -2.580 154 2HZ LYS 17 HZ2 LYS 17 14.005 -10.047 -1.104 155 3HZ LYS 17 HZ3 LYS 17 15.112 -11.285 -1.442 156 H TYR 18 HN TYR 18 11.364 -4.839 -1.629 157 HA TYR 18 HA TYR 18 10.073 -7.407 -1.669 158 1HB TYR 18 HB2 TYR 18 8.957 -4.613 -1.510 159 2HB TYR 18 HB1 TYR 18 7.975 -6.071 -1.429 160 HD1 TYR 18 HD2 TYR 18 8.552 -7.754 0.452 161 HD2 TYR 18 HD1 TYR 18 9.848 -3.703 0.425 162 HE1 TYR 18 HE2 TYR 18 8.908 -7.858 2.882 163 HE2 TYR 18 HE1 TYR 18 10.206 -3.796 2.851 164 HH TYR 18 HH TYR 18 10.390 -6.605 4.577 165 H ASN 19 HN ASN 19 8.104 -7.758 -3.015 166 HA ASN 19 HA ASN 19 8.271 -6.438 -5.655 167 1HB ASN 19 HB2 ASN 19 8.969 -8.851 -5.686 168 2HB ASN 19 HB1 ASN 19 7.347 -9.276 -5.146 169 1HD2 ASN 19 HD21 ASN 19 6.786 -10.415 -6.939 170 2HD2 ASN 19 HD22 ASN 19 6.557 -9.688 -8.495 171 H VAL 20 HN VAL 20 6.453 -7.073 -2.909 172 HA VAL 20 HA VAL 20 4.039 -5.944 -4.031 173 HB VAL 20 HB VAL 20 2.615 -7.716 -2.925 174 1HG1 VAL 20 HG11 VAL 20 2.839 -7.656 -5.340 175 2HG1 VAL 20 HG12 VAL 20 2.786 -9.327 -4.775 176 3HG1 VAL 20 HG13 VAL 20 4.324 -8.603 -5.247 177 1HG2 VAL 20 HG21 VAL 20 5.196 -9.280 -2.923 178 2HG2 VAL 20 HG22 VAL 20 3.597 -9.918 -2.535 179 3HG2 VAL 20 HG23 VAL 20 4.337 -8.698 -1.497 180 H VAL 21 HN VAL 21 2.728 -4.979 -2.385 181 HA VAL 21 HA VAL 21 3.831 -5.098 0.321 182 HB VAL 21 HB VAL 21 4.937 -3.223 -0.895 183 1HG1 VAL 21 HG11 VAL 21 2.180 -2.015 -0.944 184 2HG1 VAL 21 HG12 VAL 21 3.117 -2.542 -2.343 185 3HG1 VAL 21 HG13 VAL 21 3.678 -1.185 -1.364 186 1HG2 VAL 21 HG21 VAL 21 4.778 -3.188 1.514 187 2HG2 VAL 21 HG22 VAL 21 3.183 -2.443 1.423 188 3HG2 VAL 21 HG23 VAL 21 4.603 -1.555 0.870 189 HA PRO 22 HA PRO 22 -0.527 -5.071 1.238 190 1HB PRO 22 HB2 PRO 22 -0.339 -5.079 3.927 191 2HB PRO 22 HB1 PRO 22 0.024 -6.507 2.952 192 1HG PRO 22 HG2 PRO 22 1.899 -4.528 4.184 193 2HG PRO 22 HG1 PRO 22 2.029 -6.294 4.107 194 1HD PRO 22 HD2 PRO 22 3.363 -4.612 2.421 195 2HD PRO 22 HD1 PRO 22 2.881 -6.261 1.977 196 H VAL 23 HN VAL 23 -2.016 -3.547 1.558 197 HA VAL 23 HA VAL 23 -1.299 -1.027 2.873 198 HB VAL 23 HB VAL 23 -2.479 0.269 1.162 199 1HG1 VAL 23 HG11 VAL 23 -0.865 0.064 -0.671 200 2HG1 VAL 23 HG12 VAL 23 -0.327 -1.481 -0.014 201 3HG1 VAL 23 HG13 VAL 23 -0.079 0.004 0.907 202 1HG2 VAL 23 HG21 VAL 23 -4.058 -1.396 0.380 203 2HG2 VAL 23 HG22 VAL 23 -2.747 -2.352 -0.308 204 3HG2 VAL 23 HG23 VAL 23 -3.128 -0.767 -0.981 205 H LYS 24 HN LYS 24 -3.183 0.164 3.633 206 HA LYS 24 HA LYS 24 -5.669 -1.367 3.749 207 1HB LYS 24 HB2 LYS 24 -5.787 -1.052 6.222 208 2HB LYS 24 HB1 LYS 24 -4.505 -2.140 5.707 209 1HG LYS 24 HG2 LYS 24 -2.940 -0.156 5.869 210 2HG LYS 24 HG1 LYS 24 -4.256 0.684 6.691 211 1HD LYS 24 HD2 LYS 24 -3.056 -1.938 7.576 212 2HD LYS 24 HD1 LYS 24 -2.649 -0.361 8.253 213 1HE LYS 24 HE2 LYS 24 -4.946 -0.065 8.992 214 2HE LYS 24 HE1 LYS 24 -5.397 -1.605 8.260 215 1HZ LYS 24 HZ1 LYS 24 -5.028 -1.787 10.658 216 2HZ LYS 24 HZ2 LYS 24 -3.422 -1.283 10.457 217 3HZ LYS 24 HZ3 LYS 24 -3.939 -2.748 9.782 218 H SER 25 HN SER 25 -7.423 -0.070 4.812 219 HA SER 25 HA SER 25 -7.131 2.746 4.028 220 1HB SER 25 HB2 SER 25 -9.738 2.529 3.966 221 2HB SER 25 HB1 SER 25 -8.776 1.879 2.637 222 HG SER 25 HG SER 25 -8.999 -0.163 3.488 223 H ASN 26 HN ASN 26 -7.770 4.354 5.379 224 HA ASN 26 HA ASN 26 -7.876 3.717 8.184 225 1HB ASN 26 HB2 ASN 26 -7.788 6.082 8.564 226 2HB ASN 26 HB1 ASN 26 -6.700 5.727 7.227 227 1HD2 ASN 26 HD21 ASN 26 -8.035 8.217 7.955 228 2HD2 ASN 26 HD22 ASN 26 -8.943 8.697 6.560 229 H LYS 27 HN LYS 27 -10.197 3.794 5.815 230 HA LYS 27 HA LYS 27 -12.340 4.236 7.760 231 1HB LYS 27 HB2 LYS 27 -11.644 6.187 5.971 232 2HB LYS 27 HB1 LYS 27 -12.866 5.309 5.067 233 1HG LYS 27 HG2 LYS 27 -13.927 7.103 6.209 234 2HG LYS 27 HG1 LYS 27 -14.413 5.595 6.987 235 1HD LYS 27 HD2 LYS 27 -13.900 7.328 8.636 236 2HD LYS 27 HD1 LYS 27 -12.777 5.973 8.758 237 1HE LYS 27 HE2 LYS 27 -11.657 8.160 8.948 238 2HE LYS 27 HE1 LYS 27 -11.083 7.220 7.572 239 1HZ LYS 27 HZ1 LYS 27 -11.558 9.673 7.201 240 2HZ LYS 27 HZ2 LYS 27 -13.202 9.265 7.276 241 3HZ LYS 27 HZ3 LYS 27 -12.212 8.587 6.078 242 HA PRO 28 HA PRO 28 -13.846 0.431 5.982 243 1HB PRO 28 HB2 PRO 28 -16.474 1.542 6.827 244 2HB PRO 28 HB1 PRO 28 -15.745 -0.028 7.191 245 1HG PRO 28 HG2 PRO 28 -15.838 1.867 9.048 246 2HG PRO 28 HG1 PRO 28 -14.397 0.846 8.875 247 1HD PRO 28 HD2 PRO 28 -14.844 3.666 7.971 248 2HD PRO 28 HD1 PRO 28 -13.398 2.931 8.693 249 H VAL 29 HN VAL 29 -14.575 -0.137 3.998 250 HA VAL 29 HA VAL 29 -15.716 2.029 2.346 251 HB VAL 29 HB VAL 29 -14.134 -0.291 1.264 252 1HG1 VAL 29 HG11 VAL 29 -14.653 2.480 0.200 253 2HG1 VAL 29 HG12 VAL 29 -15.446 0.996 -0.331 254 3HG1 VAL 29 HG13 VAL 29 -13.718 1.221 -0.607 255 1HG2 VAL 29 HG21 VAL 29 -12.698 0.757 2.908 256 2HG2 VAL 29 HG22 VAL 29 -13.016 2.347 2.205 257 3HG2 VAL 29 HG23 VAL 29 -12.131 1.135 1.278 258 H GLU 30 HN GLU 30 -17.444 1.549 0.992 259 HA GLU 30 HA GLU 30 -18.949 -0.834 1.466 260 1HB GLU 30 HB2 GLU 30 -19.272 1.020 -0.898 261 2HB GLU 30 HB1 GLU 30 -20.483 -0.040 -0.196 262 1HG GLU 30 HG2 GLU 30 -21.191 1.915 0.676 263 2HG GLU 30 HG1 GLU 30 -20.026 1.484 1.926 264 H ILE 31 HN ILE 31 -18.957 -2.734 0.333 265 HA ILE 31 HA ILE 31 -16.711 -3.340 -1.271 266 HB ILE 31 HB ILE 31 -17.766 -5.518 -1.685 267 1HG1 ILE 31 HG12 ILE 31 -20.110 -4.432 -0.109 268 2HG1 ILE 31 HG11 ILE 31 -20.111 -4.682 -1.852 269 1HG2 ILE 31 HG21 ILE 31 -17.869 -6.246 0.664 270 2HG2 ILE 31 HG22 ILE 31 -17.932 -4.557 1.167 271 3HG2 ILE 31 HG23 ILE 31 -16.500 -5.179 0.350 272 1HD1 ILE 31 HD11 ILE 31 -21.225 -6.497 -0.685 273 2HD1 ILE 31 HD12 ILE 31 -19.754 -6.821 0.232 274 3HD1 ILE 31 HD13 ILE 31 -19.777 -7.067 -1.514 275 H SER 32 HN SER 32 -19.580 -1.775 -2.078 276 HA SER 32 HA SER 32 -19.878 -2.580 -4.775 277 1HB SER 32 HB2 SER 32 -20.532 0.117 -3.560 278 2HB SER 32 HB1 SER 32 -21.241 -0.593 -5.013 279 HG SER 32 HG SER 32 -21.981 -2.331 -3.591 280 H LYS 33 HN LYS 33 -17.777 -0.354 -3.118 281 HA LYS 33 HA LYS 33 -16.777 0.846 -5.566 282 1HB LYS 33 HB2 LYS 33 -15.995 1.162 -2.662 283 2HB LYS 33 HB1 LYS 33 -15.233 2.035 -3.982 284 1HG LYS 33 HG2 LYS 33 -17.244 3.203 -4.477 285 2HG LYS 33 HG1 LYS 33 -18.173 2.181 -3.377 286 1HD LYS 33 HD2 LYS 33 -17.023 3.086 -1.473 287 2HD LYS 33 HD1 LYS 33 -15.915 3.983 -2.513 288 1HE LYS 33 HE2 LYS 33 -17.635 5.438 -3.243 289 2HE LYS 33 HE1 LYS 33 -18.889 4.417 -2.544 290 1HZ LYS 33 HZ1 LYS 33 -16.831 5.840 -0.943 291 2HZ LYS 33 HZ2 LYS 33 -18.187 5.007 -0.361 292 3HZ LYS 33 HZ3 LYS 33 -18.387 6.443 -1.238 293 H TRP 34 HN TRP 34 -16.150 -1.876 -3.661 294 HA TRP 34 HA TRP 34 -13.410 -2.105 -3.533 295 1HB TRP 34 HB2 TRP 34 -14.901 -3.633 -2.377 296 2HB TRP 34 HB1 TRP 34 -15.472 -4.285 -3.908 297 HD1 TRP 34 HD1 TRP 34 -12.254 -4.176 -1.773 298 HE1 TRP 34 HE1 TRP 34 -10.870 -6.278 -2.305 299 HE3 TRP 34 HE3 TRP 34 -15.137 -6.119 -5.523 300 HZ2 TRP 34 HZ2 TRP 34 -10.987 -8.474 -4.073 301 HZ3 TRP 34 HZ3 TRP 34 -14.430 -8.226 -6.582 302 HH2 TRP 34 HH2 TRP 34 -12.395 -9.379 -5.870 303 H ILE 35 HN ILE 35 -15.530 -3.107 -6.205 304 HA ILE 35 HA ILE 35 -13.543 -4.400 -7.702 305 HB ILE 35 HB ILE 35 -15.844 -4.820 -8.223 306 1HG1 ILE 35 HG12 ILE 35 -14.567 -3.339 -10.533 307 2HG1 ILE 35 HG11 ILE 35 -14.192 -4.995 -10.065 308 1HG2 ILE 35 HG21 ILE 35 -17.314 -3.146 -9.234 309 2HG2 ILE 35 HG22 ILE 35 -16.055 -1.925 -9.045 310 3HG2 ILE 35 HG23 ILE 35 -16.792 -2.662 -7.620 311 1HD1 ILE 35 HD11 ILE 35 -15.689 -4.967 -11.956 312 2HD1 ILE 35 HD12 ILE 35 -16.840 -3.974 -11.062 313 3HD1 ILE 35 HD13 ILE 35 -16.515 -5.630 -10.544 314 H ASP 36 HN ASP 36 -14.656 -1.022 -7.792 315 HA ASP 36 HA ASP 36 -12.892 -0.403 -9.985 316 1HB ASP 36 HB2 ASP 36 -15.165 0.713 -9.464 317 2HB ASP 36 HB1 ASP 36 -14.271 1.653 -8.273 318 H PHE 37 HN PHE 37 -12.914 -0.028 -6.490 319 HA PHE 37 HA PHE 37 -10.618 1.507 -6.123 320 1HB PHE 37 HB2 PHE 37 -12.150 -0.433 -4.541 321 2HB PHE 37 HB1 PHE 37 -10.442 -0.392 -4.126 322 HD1 PHE 37 HD1 PHE 37 -13.520 1.625 -4.336 323 HD2 PHE 37 HD2 PHE 37 -9.511 1.420 -2.929 324 HE1 PHE 37 HE1 PHE 37 -13.912 3.616 -2.942 325 HE2 PHE 37 HE2 PHE 37 -9.893 3.408 -1.534 326 HZ PHE 37 HZ PHE 37 -12.097 4.509 -1.539 327 H SER 38 HN SER 38 -10.944 -2.001 -6.478 328 HA SER 38 HA SER 38 -8.218 -2.634 -6.414 329 1HB SER 38 HB2 SER 38 -10.416 -4.072 -7.924 330 2HB SER 38 HB1 SER 38 -8.866 -4.755 -7.433 331 HG SER 38 HG SER 38 -11.010 -3.917 -5.773 332 H ASN 39 HN ASN 39 -10.372 -1.859 -9.120 333 HA ASN 39 HA ASN 39 -8.592 -2.253 -11.228 334 1HB ASN 39 HB2 ASN 39 -11.014 -0.544 -10.846 335 2HB ASN 39 HB1 ASN 39 -10.044 -0.344 -12.301 336 1HD2 ASN 39 HD21 ASN 39 -11.804 -1.049 -13.531 337 2HD2 ASN 39 HD22 ASN 39 -12.222 -2.726 -13.639 338 H VAL 40 HN VAL 40 -9.223 0.714 -9.363 339 HA VAL 40 HA VAL 40 -7.371 2.321 -10.767 340 HB VAL 40 HB VAL 40 -8.377 2.619 -7.928 341 1HG1 VAL 40 HG11 VAL 40 -6.343 3.901 -8.231 342 2HG1 VAL 40 HG12 VAL 40 -7.730 4.990 -8.170 343 3HG1 VAL 40 HG13 VAL 40 -6.975 4.605 -9.719 344 1HG2 VAL 40 HG21 VAL 40 -10.171 2.635 -9.570 345 2HG2 VAL 40 HG22 VAL 40 -9.325 3.866 -10.507 346 3HG2 VAL 40 HG23 VAL 40 -9.934 4.248 -8.897 347 H LEU 41 HN LEU 41 -7.081 0.431 -7.771 348 HA LEU 41 HA LEU 41 -4.425 1.214 -7.200 349 1HB LEU 41 HB2 LEU 41 -6.144 0.090 -5.661 350 2HB LEU 41 HB1 LEU 41 -5.629 -1.418 -6.389 351 HG LEU 41 HG LEU 41 -3.299 -0.909 -5.631 352 1HD1 LEU 41 HD11 LEU 41 -3.477 1.493 -5.417 353 2HD1 LEU 41 HD12 LEU 41 -3.024 0.779 -3.869 354 3HD1 LEU 41 HD13 LEU 41 -4.683 1.314 -4.141 355 1HD2 LEU 41 HD21 LEU 41 -5.413 -1.077 -3.487 356 2HD2 LEU 41 HD22 LEU 41 -3.713 -1.508 -3.297 357 3HD2 LEU 41 HD23 LEU 41 -4.742 -2.433 -4.391 358 H SER 42 HN SER 42 -5.774 -1.322 -9.215 359 HA SER 42 HA SER 42 -3.395 -2.815 -9.583 360 1HB SER 42 HB2 SER 42 -5.799 -2.542 -11.408 361 2HB SER 42 HB1 SER 42 -4.544 -3.770 -11.558 362 HG SER 42 HG SER 42 -6.151 -3.413 -9.243 363 H ARG 43 HN ARG 43 -4.460 0.197 -10.826 364 HA ARG 43 HA ARG 43 -2.410 0.134 -12.928 365 1HB ARG 43 HB2 ARG 43 -4.811 1.910 -12.511 366 2HB ARG 43 HB1 ARG 43 -3.562 2.259 -13.698 367 1HG ARG 43 HG2 ARG 43 -4.037 0.220 -14.874 368 2HG ARG 43 HG1 ARG 43 -5.189 -0.271 -13.632 369 1HD ARG 43 HD2 ARG 43 -5.476 2.251 -15.247 370 2HD ARG 43 HD1 ARG 43 -6.180 0.710 -15.732 371 HE ARG 43 HE ARG 43 -7.330 0.829 -13.460 372 1HH1 ARG 43 HH11 ARG 43 -6.482 3.639 -15.368 373 2HH1 ARG 43 HH12 ARG 43 -7.796 4.604 -14.770 374 1HH2 ARG 43 HH21 ARG 43 -9.080 2.090 -12.680 375 2HH2 ARG 43 HH22 ARG 43 -9.275 3.728 -13.229 376 H LEU 44 HN LEU 44 -2.442 0.762 -9.837 377 HA LEU 44 HA LEU 44 -0.918 3.269 -10.041 378 1HB LEU 44 HB2 LEU 44 -2.935 3.300 -8.576 379 2HB LEU 44 HB1 LEU 44 -2.199 2.052 -7.590 380 HG LEU 44 HG LEU 44 -0.340 3.618 -7.068 381 1HD1 LEU 44 HD11 LEU 44 -0.472 5.041 -9.028 382 2HD1 LEU 44 HD12 LEU 44 -0.641 5.999 -7.557 383 3HD1 LEU 44 HD13 LEU 44 -2.062 5.613 -8.527 384 1HD2 LEU 44 HD21 LEU 44 -1.628 5.017 -5.531 385 2HD2 LEU 44 HD22 LEU 44 -2.217 3.355 -5.539 386 3HD2 LEU 44 HD23 LEU 44 -3.107 4.611 -6.401 387 H TYR 45 HN TYR 45 0.979 2.171 -10.707 388 HA TYR 45 HA TYR 45 2.138 0.270 -8.826 389 1HB TYR 45 HB2 TYR 45 3.030 1.191 -11.562 390 2HB TYR 45 HB1 TYR 45 3.937 0.058 -10.565 391 HD1 TYR 45 HD1 TYR 45 2.676 -2.073 -9.806 392 HD2 TYR 45 HD2 TYR 45 1.410 0.389 -13.038 393 HE1 TYR 45 HE1 TYR 45 1.362 -3.943 -10.704 394 HE2 TYR 45 HE2 TYR 45 0.086 -1.476 -13.947 395 HH TYR 45 HH TYR 45 -0.598 -4.274 -12.171 396 H VAL 46 HN VAL 46 2.928 1.271 -7.114 397 HA VAL 46 HA VAL 46 4.799 3.511 -7.526 398 HB VAL 46 HB VAL 46 3.081 3.095 -5.066 399 1HG1 VAL 46 HG11 VAL 46 3.680 5.412 -4.550 400 2HG1 VAL 46 HG12 VAL 46 4.688 5.472 -5.996 401 3HG1 VAL 46 HG13 VAL 46 5.107 4.383 -4.673 402 1HG2 VAL 46 HG21 VAL 46 1.685 4.947 -5.872 403 2HG2 VAL 46 HG22 VAL 46 1.614 3.548 -6.944 404 3HG2 VAL 46 HG23 VAL 46 2.585 4.953 -7.389 405 H GLY 47 HN GLY 47 6.528 3.619 -5.891 406 1HA GLY 47 HA2 GLY 47 6.910 1.180 -4.320 407 2HA GLY 47 HA1 GLY 47 8.146 1.600 -5.494 408 H VAL 48 HN VAL 48 9.832 2.223 -4.358 409 HA VAL 48 HA VAL 48 11.195 3.462 -3.036 410 HB VAL 48 HB VAL 48 8.792 5.236 -2.539 411 1HG1 VAL 48 HG11 VAL 48 10.450 6.912 -1.842 412 2HG1 VAL 48 HG12 VAL 48 11.728 5.710 -2.023 413 3HG1 VAL 48 HG13 VAL 48 10.473 5.487 -0.802 414 1HG2 VAL 48 HG21 VAL 48 11.069 5.538 -4.501 415 2HG2 VAL 48 HG22 VAL 48 9.792 6.722 -4.213 416 3HG2 VAL 48 HG23 VAL 48 9.398 5.146 -4.904 417 HA PRO 49 HA PRO 49 10.378 1.042 0.644 418 1HB PRO 49 HB2 PRO 49 12.881 2.463 1.431 419 2HB PRO 49 HB1 PRO 49 12.484 0.742 1.530 420 1HG PRO 49 HG2 PRO 49 14.097 1.615 -0.379 421 2HG PRO 49 HG1 PRO 49 12.860 0.396 -0.746 422 1HD PRO 49 HD2 PRO 49 12.867 3.329 -1.340 423 2HD PRO 49 HD1 PRO 49 12.295 1.977 -2.340 424 H THR 50 HN THR 50 8.779 1.799 1.863 425 HA THR 50 HA THR 50 9.026 4.457 3.076 426 HB THR 50 HB THR 50 6.477 4.066 3.407 427 HG1 THR 50 HG1 THR 50 6.307 2.663 1.113 428 1HG2 THR 50 HG21 THR 50 7.437 5.756 1.912 429 2HG2 THR 50 HG22 THR 50 6.019 4.998 1.185 430 3HG2 THR 50 HG23 THR 50 7.637 4.535 0.655 431 H LYS 51 HN LYS 51 7.173 4.347 5.028 432 HA LYS 51 HA LYS 51 8.069 2.215 6.847 433 1HB LYS 51 HB2 LYS 51 7.765 5.165 7.456 434 2HB LYS 51 HB1 LYS 51 8.012 3.925 8.679 435 1HG LYS 51 HG2 LYS 51 10.174 3.399 7.800 436 2HG LYS 51 HG1 LYS 51 9.923 4.468 6.419 437 1HD LYS 51 HD2 LYS 51 9.915 6.403 7.856 438 2HD LYS 51 HD1 LYS 51 9.983 5.381 9.295 439 1HE LYS 51 HE2 LYS 51 12.108 5.407 7.160 440 2HE LYS 51 HE1 LYS 51 12.170 6.410 8.610 441 1HZ LYS 51 HZ1 LYS 51 12.393 4.561 9.975 442 2HZ LYS 51 HZ2 LYS 51 13.382 4.181 8.645 443 3HZ LYS 51 HZ3 LYS 51 11.845 3.477 8.792 444 H SER 52 HN SER 52 6.560 2.060 8.790 445 HA SER 52 HA SER 52 3.958 1.534 7.864 446 1HB SER 52 HB2 SER 52 5.054 0.408 9.810 447 2HB SER 52 HB1 SER 52 4.826 1.886 10.743 448 HG SER 52 HG SER 52 3.041 0.844 11.240 449 H GLY 53 HN GLY 53 2.167 2.729 7.752 450 1HA GLY 53 HA2 GLY 53 0.657 4.404 8.425 451 2HA GLY 53 HA1 GLY 53 1.949 5.173 9.338 452 H ASN 54 HN ASN 54 2.642 4.146 6.124 453 HA ASN 54 HA ASN 54 2.885 6.954 5.353 454 1HB ASN 54 HB2 ASN 54 4.186 6.255 3.479 455 2HB ASN 54 HB1 ASN 54 4.741 5.325 4.861 456 1HD2 ASN 54 HD21 ASN 54 4.442 3.121 4.897 457 2HD2 ASN 54 HD22 ASN 54 3.925 2.230 3.504 458 H VAL 55 HN VAL 55 1.563 7.982 3.984 459 HA VAL 55 HA VAL 55 -0.817 6.556 3.127 460 HB VAL 55 HB VAL 55 -0.149 9.481 2.743 461 1HG1 VAL 55 HG11 VAL 55 -2.768 7.990 2.613 462 2HG1 VAL 55 HG12 VAL 55 -1.887 8.680 1.249 463 3HG1 VAL 55 HG13 VAL 55 -2.576 9.739 2.480 464 1HG2 VAL 55 HG21 VAL 55 -1.728 8.164 4.950 465 2HG2 VAL 55 HG22 VAL 55 -1.546 9.902 4.707 466 3HG2 VAL 55 HG23 VAL 55 -0.140 8.916 5.116 467 H VAL 56 HN VAL 56 -0.561 5.398 1.322 468 HA VAL 56 HA VAL 56 1.248 6.055 -0.769 469 HB VAL 56 HB VAL 56 -1.140 4.196 -0.880 470 1HG1 VAL 56 HG11 VAL 56 1.341 4.316 -2.592 471 2HG1 VAL 56 HG12 VAL 56 -0.286 4.789 -3.085 472 3HG1 VAL 56 HG13 VAL 56 0.065 3.103 -2.706 473 1HG2 VAL 56 HG21 VAL 56 0.452 2.403 -0.367 474 2HG2 VAL 56 HG22 VAL 56 0.354 3.581 0.944 475 3HG2 VAL 56 HG23 VAL 56 1.729 3.602 -0.160 476 H CYS 57 HN CYS 57 -2.313 6.070 -0.631 477 HA CYS 57 HA CYS 57 -2.264 8.384 -2.431 478 1HB CYS 57 HB2 CYS 57 -2.937 6.207 -3.585 479 2HB CYS 57 HB1 CYS 57 -4.387 6.246 -2.588 480 HG CYS 57 HG CYS 57 -3.746 9.060 -4.321 481 H LYS 58 HN LYS 58 -3.232 10.065 -1.554 482 HA LYS 58 HA LYS 58 -4.755 9.660 0.901 483 1HB LYS 58 HB2 LYS 58 -2.850 11.239 0.868 484 2HB LYS 58 HB1 LYS 58 -3.686 12.202 -0.341 485 1HG LYS 58 HG2 LYS 58 -5.290 12.934 1.177 486 2HG LYS 58 HG1 LYS 58 -4.937 11.635 2.318 487 1HD LYS 58 HD2 LYS 58 -3.047 13.884 1.624 488 2HD LYS 58 HD1 LYS 58 -4.070 13.833 3.060 489 1HE LYS 58 HE2 LYS 58 -2.945 11.790 3.791 490 2HE LYS 58 HE1 LYS 58 -1.931 11.826 2.350 491 1HZ LYS 58 HZ1 LYS 58 -1.970 13.850 4.528 492 2HZ LYS 58 HZ2 LYS 58 -1.041 13.963 3.111 493 3HZ LYS 58 HZ3 LYS 58 -0.743 12.719 4.222 494 H ASN 59 HN ASN 59 -6.866 9.509 0.774 495 HA ASN 59 HA ASN 59 -8.999 9.572 0.017 496 1HB ASN 59 HB2 ASN 59 -8.596 12.046 0.524 497 2HB ASN 59 HB1 ASN 59 -8.361 12.259 -1.210 498 1HD2 ASN 59 HD21 ASN 59 -10.175 13.633 -1.283 499 2HD2 ASN 59 HD22 ASN 59 -11.785 13.005 -1.206 500 H ILE 60 HN ILE 60 -7.726 7.953 -1.390 501 HA ILE 60 HA ILE 60 -6.769 8.337 -3.897 502 HB ILE 60 HB ILE 60 -6.468 6.248 -2.788 503 1HG1 ILE 60 HG12 ILE 60 -8.124 5.776 -5.280 504 2HG1 ILE 60 HG11 ILE 60 -6.416 6.195 -5.260 505 1HG2 ILE 60 HG21 ILE 60 -8.277 4.626 -2.469 506 2HG2 ILE 60 HG22 ILE 60 -9.434 5.809 -3.076 507 3HG2 ILE 60 HG23 ILE 60 -8.560 6.121 -1.577 508 1HD1 ILE 60 HD11 ILE 60 -5.901 4.100 -4.132 509 2HD1 ILE 60 HD12 ILE 60 -6.765 3.810 -5.643 510 3HD1 ILE 60 HD13 ILE 60 -7.614 3.685 -4.103 511 H MET 61 HN MET 61 -10.204 7.780 -3.129 512 HA MET 61 HA MET 61 -10.791 8.402 -5.942 513 1HB MET 61 HB2 MET 61 -12.077 6.243 -4.266 514 2HB MET 61 HB1 MET 61 -12.645 6.745 -5.853 515 1HG MET 61 HG2 MET 61 -10.488 6.083 -6.818 516 2HG MET 61 HG1 MET 61 -9.962 5.534 -5.227 517 1HE MET 61 HE1 MET 61 -12.490 5.018 -8.155 518 2HE MET 61 HE2 MET 61 -13.567 5.203 -6.770 519 3HE MET 61 HE3 MET 61 -13.439 3.646 -7.586 520 H ASN 62 HN ASN 62 -10.823 10.065 -3.545 521 HA ASN 62 HA ASN 62 -12.107 11.626 -2.494 522 1HB ASN 62 HB2 ASN 62 -12.435 12.183 -4.964 523 2HB ASN 62 HB1 ASN 62 -13.992 11.373 -4.844 524 1HD2 ASN 62 HD21 ASN 62 -13.439 14.124 -5.490 525 2HD2 ASN 62 HD22 ASN 62 -14.240 15.090 -4.289 526 H THR 63 HN THR 63 -12.579 9.914 -0.909 527 HA THR 63 HA THR 63 -15.435 9.592 -0.556 528 HB THR 63 HB THR 63 -14.883 7.654 -1.956 529 HG1 THR 63 HG1 THR 63 -15.507 7.124 0.771 530 1HG2 THR 63 HG21 THR 63 -12.527 7.405 -1.375 531 2HG2 THR 63 HG22 THR 63 -13.394 5.888 -1.131 532 3HG2 THR 63 HG23 THR 63 -12.970 6.895 0.255 533 H GLY 64 HN GLY 64 -12.782 10.630 0.725 534 1HA GLY 64 HA2 GLY 64 -12.084 11.015 2.877 535 2HA GLY 64 HA1 GLY 64 -13.571 10.257 3.421 536 H VAL 65 HN VAL 65 -11.057 8.780 1.445 537 HA VAL 65 HA VAL 65 -10.393 7.013 3.705 538 HB VAL 65 HB VAL 65 -10.908 6.208 0.832 539 1HG1 VAL 65 HG11 VAL 65 -10.139 3.969 1.417 540 2HG1 VAL 65 HG12 VAL 65 -9.690 4.529 3.028 541 3HG1 VAL 65 HG13 VAL 65 -8.836 5.141 1.611 542 1HG2 VAL 65 HG21 VAL 65 -12.850 6.320 2.358 543 2HG2 VAL 65 HG22 VAL 65 -12.043 5.161 3.417 544 3HG2 VAL 65 HG23 VAL 65 -12.515 4.683 1.788 545 H ASP 66 HN ASP 66 -8.350 7.203 4.219 546 HA ASP 66 HA ASP 66 -6.364 7.941 2.200 547 1HB ASP 66 HB2 ASP 66 -6.143 7.624 5.205 548 2HB ASP 66 HB1 ASP 66 -4.803 8.058 4.153 549 H ILE 67 HN ILE 67 -5.273 6.385 1.192 550 HA ILE 67 HA ILE 67 -5.380 3.671 2.239 551 HB ILE 67 HB ILE 67 -4.207 4.727 -0.347 552 1HG1 ILE 67 HG12 ILE 67 -6.653 4.889 -0.239 553 2HG1 ILE 67 HG11 ILE 67 -6.151 3.668 -1.402 554 1HG2 ILE 67 HG21 ILE 67 -4.066 2.375 -1.034 555 2HG2 ILE 67 HG22 ILE 67 -4.582 1.883 0.579 556 3HG2 ILE 67 HG23 ILE 67 -3.043 2.716 0.363 557 1HD1 ILE 67 HD11 ILE 67 -7.128 3.131 1.394 558 2HD1 ILE 67 HD12 ILE 67 -6.657 1.915 0.208 559 3HD1 ILE 67 HD13 ILE 67 -8.066 2.935 -0.087 560 H ILE 68 HN ILE 68 -3.988 3.347 3.833 561 HA ILE 68 HA ILE 68 -1.286 4.476 3.579 562 HB ILE 68 HB ILE 68 -1.150 4.103 6.073 563 1HG1 ILE 68 HG12 ILE 68 -4.143 3.760 5.756 564 2HG1 ILE 68 HG11 ILE 68 -3.011 2.527 6.300 565 1HG2 ILE 68 HG21 ILE 68 -2.355 6.157 6.600 566 2HG2 ILE 68 HG22 ILE 68 -3.211 6.056 5.061 567 3HG2 ILE 68 HG23 ILE 68 -1.465 6.301 5.084 568 1HD1 ILE 68 HD11 ILE 68 -4.231 3.507 8.161 569 2HD1 ILE 68 HD12 ILE 68 -3.623 5.104 7.726 570 3HD1 ILE 68 HD13 ILE 68 -2.506 3.855 8.277 571 H CYS 69 HN CYS 69 0.459 3.213 3.720 572 HA CYS 69 HA CYS 69 0.028 0.329 3.842 573 1HB CYS 69 HB2 CYS 69 1.385 1.149 1.983 574 2HB CYS 69 HB1 CYS 69 2.485 1.939 3.107 575 HG CYS 69 HG CYS 69 2.084 -1.410 2.592 576 H THR 70 HN THR 70 1.095 -0.966 5.341 577 HA THR 70 HA THR 70 2.101 0.490 7.701 578 HB THR 70 HB THR 70 -0.162 -0.378 8.099 579 HG1 THR 70 HG1 THR 70 2.039 -1.336 9.487 580 1HG2 THR 70 HG21 THR 70 -0.186 -2.186 6.461 581 2HG2 THR 70 HG22 THR 70 -0.628 -2.789 8.060 582 3HG2 THR 70 HG23 THR 70 0.989 -3.088 7.424 583 H LYS 71 HN LYS 71 3.159 -1.241 5.263 584 HA LYS 71 HA LYS 71 4.834 -3.036 6.848 585 1HB LYS 71 HB2 LYS 71 3.733 -3.854 4.716 586 2HB LYS 71 HB1 LYS 71 4.800 -2.762 3.839 587 1HG LYS 71 HG2 LYS 71 5.735 -4.978 3.813 588 2HG LYS 71 HG1 LYS 71 6.747 -3.936 4.818 589 1HD LYS 71 HD2 LYS 71 5.513 -4.806 6.814 590 2HD LYS 71 HD1 LYS 71 4.706 -5.956 5.748 591 1HE LYS 71 HE2 LYS 71 6.537 -7.076 6.794 592 2HE LYS 71 HE1 LYS 71 6.955 -6.821 5.100 593 1HZ LYS 71 HZ1 LYS 71 8.358 -4.997 5.709 594 2HZ LYS 71 HZ2 LYS 71 8.785 -6.330 6.659 595 3HZ LYS 71 HZ3 LYS 71 7.861 -5.074 7.326 596 H ASN 72 HN ASN 72 6.872 -2.584 7.280 597 HA ASN 72 HA ASN 72 7.956 -0.048 6.351 598 1HB ASN 72 HB2 ASN 72 8.767 -2.014 8.489 599 2HB ASN 72 HB1 ASN 72 9.790 -0.657 8.031 600 1HD2 ASN 72 HD21 ASN 72 6.509 -1.441 9.150 601 2HD2 ASN 72 HD22 ASN 72 6.320 0.001 10.079 602 H LEU 73 HN LEU 73 9.161 0.006 4.584 603 HA LEU 73 HA LEU 73 10.438 -2.468 3.666 604 1HB LEU 73 HB2 LEU 73 9.976 0.168 2.267 605 2HB LEU 73 HB1 LEU 73 10.833 -1.181 1.555 606 HG LEU 73 HG LEU 73 8.661 -2.510 1.893 607 1HD1 LEU 73 HD11 LEU 73 7.552 -0.953 3.401 608 2HD1 LEU 73 HD12 LEU 73 6.616 -1.186 1.924 609 3HD1 LEU 73 HD13 LEU 73 7.566 0.284 2.144 610 1HD2 LEU 73 HD21 LEU 73 9.489 -1.809 -0.280 611 2HD2 LEU 73 HD22 LEU 73 8.758 -0.219 -0.063 612 3HD2 LEU 73 HD23 LEU 73 7.734 -1.648 -0.204 613 HA PRO 74 HA PRO 74 14.423 -0.895 5.133 614 1HB PRO 74 HB2 PRO 74 15.809 -2.869 3.741 615 2HB PRO 74 HB1 PRO 74 15.255 -2.997 5.414 616 1HG PRO 74 HG2 PRO 74 14.033 -4.079 2.921 617 2HG PRO 74 HG1 PRO 74 14.084 -4.781 4.548 618 1HD PRO 74 HD2 PRO 74 11.862 -3.634 3.559 619 2HD PRO 74 HD1 PRO 74 12.281 -3.534 5.282 620 H LYS 75 HN LYS 75 15.447 0.719 4.151 621 HA LYS 75 HA LYS 75 14.717 1.402 1.501 622 1HB LYS 75 HB2 LYS 75 14.934 3.174 3.065 623 2HB LYS 75 HB1 LYS 75 16.562 2.676 3.503 624 1HG LYS 75 HG2 LYS 75 16.715 4.625 2.153 625 2HG LYS 75 HG1 LYS 75 17.297 3.256 1.207 626 1HD LYS 75 HD2 LYS 75 14.890 3.150 0.288 627 2HD LYS 75 HD1 LYS 75 14.734 4.787 0.931 628 1HE LYS 75 HE2 LYS 75 16.560 3.777 -1.224 629 2HE LYS 75 HE1 LYS 75 15.405 5.107 -1.286 630 1HZ LYS 75 HZ1 LYS 75 17.954 5.064 0.243 631 2HZ LYS 75 HZ2 LYS 75 16.836 6.341 0.252 632 3HZ LYS 75 HZ3 LYS 75 17.653 5.940 -1.178 633 H ASP 76 HN ASP 76 17.965 1.167 2.848 634 HA ASP 76 HA ASP 76 18.865 0.345 0.167 635 1HB ASP 76 HB2 ASP 76 20.195 2.211 2.131 636 2HB ASP 76 HB1 ASP 76 21.053 1.491 0.774 637 H SER 77 HN SER 77 19.062 -1.803 0.430 638 HA SER 77 HA SER 77 20.341 -3.042 2.638 639 1HB SER 77 HB2 SER 77 18.808 -4.274 1.146 640 2HB SER 77 HB1 SER 77 19.929 -4.051 -0.195 641 HG SER 77 HG SER 77 20.931 -5.240 2.126 642 H LEU 78 HN LEU 78 22.337 -2.347 3.120 643 HA LEU 78 HA LEU 78 24.156 -1.471 1.088 644 1HB LEU 78 HB2 LEU 78 24.543 -1.806 4.060 645 2HB LEU 78 HB1 LEU 78 25.707 -1.066 2.979 646 HG LEU 78 HG LEU 78 22.931 -0.024 3.561 647 1HD1 LEU 78 HD11 LEU 78 25.651 0.995 4.368 648 2HD1 LEU 78 HD12 LEU 78 24.447 0.273 5.435 649 3HD1 LEU 78 HD13 LEU 78 24.117 1.819 4.653 650 1HD2 LEU 78 HD21 LEU 78 23.613 0.465 1.271 651 2HD2 LEU 78 HD22 LEU 78 25.136 1.132 1.858 652 3HD2 LEU 78 HD23 LEU 78 23.613 1.928 2.255 653 H GLU 79 HN GLU 79 24.567 -3.243 -0.167 654 HA GLU 79 HA GLU 79 26.504 -5.105 1.013 655 1HB GLU 79 HB2 GLU 79 24.051 -5.965 0.338 656 2HB GLU 79 HB1 GLU 79 24.805 -6.054 -1.247 657 1HG GLU 79 HG2 GLU 79 25.782 -7.426 1.249 658 2HG GLU 79 HG1 GLU 79 24.904 -8.186 -0.076 659 H HIS 80 HN HIS 80 28.311 -4.168 0.206 660 HA HIS 80 HA HIS 80 28.341 -3.490 -2.660 661 1HB HIS 80 HB2 HIS 80 28.672 -1.607 -1.034 662 2HB HIS 80 HB1 HIS 80 30.145 -2.397 -0.488 663 HD1 HIS 80 HD1 HIS 80 28.685 -0.791 -3.608 664 HD2 HIS 80 HD2 HIS 80 32.373 -1.796 -1.954 665 HE1 HIS 80 HE1 HIS 80 30.417 0.225 -5.125 666 HE2 HIS 80 HE2 HIS 80 32.640 -0.503 -4.178 667 H HIS 81 HN HIS 81 29.041 -6.021 -0.948 668 HA HIS 81 HA HIS 81 31.825 -6.395 -1.747 669 1HB HIS 81 HB2 HIS 81 29.947 -8.270 -0.286 670 2HB HIS 81 HB1 HIS 81 31.657 -8.560 -0.574 671 HD1 HIS 81 HD1 HIS 81 33.275 -7.639 1.109 672 HD2 HIS 81 HD2 HIS 81 29.425 -6.135 1.579 673 HE1 HIS 81 HE1 HIS 81 33.301 -6.356 3.278 674 HE2 HIS 81 HE2 HIS 81 30.918 -5.605 3.618 675 H HIS 82 HN HIS 82 32.426 -8.357 -2.915 676 HA HIS 82 HA HIS 82 30.399 -9.168 -4.859 677 1HB HIS 82 HB2 HIS 82 33.404 -9.459 -4.804 678 2HB HIS 82 HB1 HIS 82 32.399 -10.335 -5.956 679 HD1 HIS 82 HD1 HIS 82 34.482 -7.624 -6.112 680 HD2 HIS 82 HD2 HIS 82 30.445 -8.053 -7.025 681 HE1 HIS 82 HE1 HIS 82 33.942 -5.760 -7.709 682 HE2 HIS 82 HE2 HIS 82 31.458 -5.932 -8.102 683 H HIS 83 HN HIS 83 30.941 -11.726 -5.450 684 HA HIS 83 HA HIS 83 29.597 -13.001 -3.353 685 1HB HIS 83 HB2 HIS 83 29.722 -13.676 -5.826 686 2HB HIS 83 HB1 HIS 83 31.218 -14.501 -5.398 687 HD1 HIS 83 HD1 HIS 83 27.686 -15.046 -5.650 688 HD2 HIS 83 HD2 HIS 83 30.723 -16.465 -3.185 689 HE1 HIS 83 HE1 HIS 83 26.779 -17.138 -4.591 690 HE2 HIS 83 HE2 HIS 83 28.540 -17.832 -2.930 691 H HIS 84 HN HIS 84 32.997 -13.400 -4.367 692 HA HIS 84 HA HIS 84 33.869 -13.352 -1.652 693 1HB HIS 84 HB2 HIS 84 33.019 -15.726 -1.906 694 2HB HIS 84 HB1 HIS 84 34.301 -15.977 -3.087 695 HD1 HIS 84 HD1 HIS 84 35.008 -13.922 -0.051 696 HD2 HIS 84 HD2 HIS 84 35.568 -17.822 -1.384 697 HE1 HIS 84 HE1 HIS 84 36.615 -14.966 1.571 698 HE2 HIS 84 HE2 HIS 84 36.733 -17.387 0.892 699 H HIS 85 HN HIS 85 34.921 -14.792 -4.740 700 HA HIS 85 HA HIS 85 36.674 -12.562 -5.202 701 1HB HIS 85 HB2 HIS 85 38.742 -13.800 -5.454 702 2HB HIS 85 HB1 HIS 85 38.135 -14.015 -3.821 703 HD1 HIS 85 HD1 HIS 85 37.966 -16.369 -3.013 704 HD2 HIS 85 HD2 HIS 85 38.341 -16.157 -7.143 705 HE1 HIS 85 HE1 HIS 85 38.256 -18.738 -3.783 706 HE2 HIS 85 HE2 HIS 85 38.739 -18.552 -6.247 Start of MODEL 16 1 1H MET 1 HT1 MET 1 -25.712 -0.190 2.665 2 2H MET 1 HT2 MET 1 -24.089 -0.106 3.138 3 3H MET 1 HT3 MET 1 -25.303 -0.238 4.307 4 HA MET 1 HA MET 1 -25.892 -2.429 3.454 5 1HB MET 1 HB2 MET 1 -25.002 -1.941 1.153 6 2HB MET 1 HB1 MET 1 -23.378 -2.111 1.800 7 1HG MET 1 HG2 MET 1 -23.845 -4.431 2.380 8 2HG MET 1 HG1 MET 1 -25.483 -4.261 1.747 9 1HE MET 1 HE1 MET 1 -23.874 -6.534 -0.969 10 2HE MET 1 HE2 MET 1 -25.219 -6.315 0.150 11 3HE MET 1 HE3 MET 1 -23.592 -6.595 0.771 12 H HIS 2 HN HIS 2 -22.383 -1.795 3.379 13 HA HIS 2 HA HIS 2 -22.079 -2.185 6.175 14 1HB HIS 2 HB2 HIS 2 -22.395 -4.573 5.357 15 2HB HIS 2 HB1 HIS 2 -20.868 -4.385 4.494 16 HD1 HIS 2 HD1 HIS 2 -19.021 -5.441 5.797 17 HD2 HIS 2 HD2 HIS 2 -21.872 -3.683 8.262 18 HE1 HIS 2 HE1 HIS 2 -18.183 -5.760 8.142 19 HE2 HIS 2 HE2 HIS 2 -20.047 -4.906 9.612 20 H LYS 3 HN LYS 3 -20.503 -0.869 6.679 21 HA LYS 3 HA LYS 3 -18.450 -0.207 4.723 22 1HB LYS 3 HB2 LYS 3 -18.968 0.914 7.490 23 2HB LYS 3 HB1 LYS 3 -17.827 1.554 6.317 24 1HG LYS 3 HG2 LYS 3 -20.738 1.337 5.667 25 2HG LYS 3 HG1 LYS 3 -20.101 2.709 6.570 26 1HD LYS 3 HD2 LYS 3 -19.018 1.837 3.899 27 2HD LYS 3 HD1 LYS 3 -20.297 3.038 4.081 28 1HE LYS 3 HE2 LYS 3 -17.528 3.227 5.266 29 2HE LYS 3 HE1 LYS 3 -18.083 4.077 3.826 30 1HZ LYS 3 HZ1 LYS 3 -19.741 5.212 5.195 31 2HZ LYS 3 HZ2 LYS 3 -18.167 5.515 5.752 32 3HZ LYS 3 HZ3 LYS 3 -19.157 4.417 6.578 33 H ASP 4 HN ASP 4 -16.690 -1.433 4.660 34 HA ASP 4 HA ASP 4 -15.592 -2.529 7.170 35 1HB ASP 4 HB2 ASP 4 -16.900 -4.192 5.641 36 2HB ASP 4 HB1 ASP 4 -15.502 -4.072 4.582 37 H ILE 5 HN ILE 5 -13.230 -3.380 6.619 38 HA ILE 5 HA ILE 5 -11.927 -1.010 5.531 39 HB ILE 5 HB ILE 5 -10.760 -3.365 7.019 40 1HG1 ILE 5 HG12 ILE 5 -12.256 -1.993 8.400 41 2HG1 ILE 5 HG11 ILE 5 -10.582 -1.805 8.907 42 1HG2 ILE 5 HG21 ILE 5 -9.108 -2.350 5.555 43 2HG2 ILE 5 HG22 ILE 5 -8.744 -1.985 7.242 44 3HG2 ILE 5 HG23 ILE 5 -9.480 -0.756 6.213 45 1HD1 ILE 5 HD11 ILE 5 -10.461 0.322 7.720 46 2HD1 ILE 5 HD12 ILE 5 -11.754 0.317 8.921 47 3HD1 ILE 5 HD13 ILE 5 -12.138 0.130 7.209 48 H PHE 6 HN PHE 6 -11.509 -0.998 3.407 49 HA PHE 6 HA PHE 6 -11.108 -3.310 1.830 50 1HB PHE 6 HB2 PHE 6 -11.817 -1.322 0.721 51 2HB PHE 6 HB1 PHE 6 -10.475 -0.395 1.378 52 HD1 PHE 6 HD2 PHE 6 -10.900 -3.528 -0.620 53 HD2 PHE 6 HD1 PHE 6 -8.874 0.182 -0.142 54 HE1 PHE 6 HE2 PHE 6 -9.590 -3.985 -2.650 55 HE2 PHE 6 HE1 PHE 6 -7.561 -0.271 -2.171 56 HZ PHE 6 HZ PHE 6 -7.917 -2.357 -3.428 57 H THR 7 HN THR 7 -9.478 -4.645 1.991 58 HA THR 7 HA THR 7 -6.783 -3.542 2.389 59 HB THR 7 HB THR 7 -6.267 -5.866 3.371 60 HG1 THR 7 HG1 THR 7 -9.025 -5.898 4.011 61 1HG2 THR 7 HG21 THR 7 -7.007 -5.201 5.614 62 2HG2 THR 7 HG22 THR 7 -8.083 -3.998 4.902 63 3HG2 THR 7 HG23 THR 7 -6.335 -3.830 4.730 64 H SER 8 HN SER 8 -5.274 -4.160 0.903 65 HA SER 8 HA SER 8 -5.738 -6.438 -0.820 66 1HB SER 8 HB2 SER 8 -7.044 -4.527 -1.845 67 2HB SER 8 HB1 SER 8 -5.512 -3.681 -2.059 68 HG SER 8 HG SER 8 -6.508 -5.189 -3.804 69 H VAL 9 HN VAL 9 -3.891 -5.736 -2.809 70 HA VAL 9 HA VAL 9 -1.441 -5.026 -1.390 71 HB VAL 9 HB VAL 9 -1.551 -7.470 -1.229 72 1HG1 VAL 9 HG11 VAL 9 -2.949 -7.948 -3.153 73 2HG1 VAL 9 HG12 VAL 9 -1.452 -8.878 -3.226 74 3HG1 VAL 9 HG13 VAL 9 -1.653 -7.449 -4.239 75 1HG2 VAL 9 HG21 VAL 9 0.634 -6.431 -1.442 76 2HG2 VAL 9 HG22 VAL 9 0.525 -6.525 -3.199 77 3HG2 VAL 9 HG23 VAL 9 0.613 -8.003 -2.242 78 H VAL 10 HN VAL 10 -0.015 -3.911 -2.643 79 HA VAL 10 HA VAL 10 -0.701 -3.655 -5.497 80 HB VAL 10 HB VAL 10 -1.389 -1.651 -4.226 81 1HG1 VAL 10 HG11 VAL 10 0.318 -0.150 -3.294 82 2HG1 VAL 10 HG12 VAL 10 1.538 -1.392 -3.577 83 3HG1 VAL 10 HG13 VAL 10 0.225 -1.690 -2.440 84 1HG2 VAL 10 HG21 VAL 10 0.904 -1.214 -6.130 85 2HG2 VAL 10 HG22 VAL 10 -0.245 0.025 -5.628 86 3HG2 VAL 10 HG23 VAL 10 -0.803 -1.374 -6.544 87 H ARG 11 HN ARG 11 1.040 -3.304 -6.926 88 HA ARG 11 HA ARG 11 3.408 -4.711 -6.163 89 1HB ARG 11 HB2 ARG 11 2.576 -3.342 -8.717 90 2HB ARG 11 HB1 ARG 11 4.124 -4.156 -8.529 91 1HG ARG 11 HG2 ARG 11 3.044 -6.259 -8.143 92 2HG ARG 11 HG1 ARG 11 1.458 -5.488 -8.109 93 1HD ARG 11 HD2 ARG 11 3.302 -5.543 -10.495 94 2HD ARG 11 HD1 ARG 11 1.943 -6.638 -10.245 95 HE ARG 11 HE ARG 11 1.404 -3.769 -10.250 96 1HH1 ARG 11 HH11 ARG 11 1.248 -6.844 -11.900 97 2HH1 ARG 11 HH12 ARG 11 0.039 -6.329 -13.035 98 1HH2 ARG 11 HH21 ARG 11 -0.187 -3.068 -11.748 99 2HH2 ARG 11 HH22 ARG 11 -0.756 -4.162 -12.969 100 H VAL 12 HN VAL 12 5.506 -3.971 -6.045 101 HA VAL 12 HA VAL 12 5.645 -1.149 -5.252 102 HB VAL 12 HB VAL 12 7.350 -3.484 -4.371 103 1HG1 VAL 12 HG11 VAL 12 8.204 -1.937 -2.662 104 2HG1 VAL 12 HG12 VAL 12 7.318 -0.623 -3.436 105 3HG1 VAL 12 HG13 VAL 12 8.626 -1.432 -4.300 106 1HG2 VAL 12 HG21 VAL 12 6.215 -3.183 -2.217 107 2HG2 VAL 12 HG22 VAL 12 5.095 -3.623 -3.508 108 3HG2 VAL 12 HG23 VAL 12 5.186 -1.951 -2.950 109 H ARG 13 HN ARG 13 7.325 0.125 -5.819 110 HA ARG 13 HA ARG 13 9.294 -0.815 -7.778 111 1HB ARG 13 HB2 ARG 13 7.312 0.090 -8.984 112 2HB ARG 13 HB1 ARG 13 7.475 1.598 -8.105 113 1HG ARG 13 HG2 ARG 13 9.587 2.040 -9.203 114 2HG ARG 13 HG1 ARG 13 9.500 0.486 -10.036 115 1HD ARG 13 HD2 ARG 13 8.789 2.426 -11.431 116 2HD ARG 13 HD1 ARG 13 7.559 1.175 -11.256 117 HE ARG 13 HE ARG 13 6.762 2.776 -9.350 118 1HH1 ARG 13 HH11 ARG 13 8.091 3.735 -12.437 119 2HH1 ARG 13 HH12 ARG 13 7.114 5.164 -12.557 120 1HH2 ARG 13 HH21 ARG 13 5.469 4.654 -9.504 121 2HH2 ARG 13 HH22 ARG 13 5.617 5.685 -10.897 122 H GLY 14 HN GLY 14 10.921 1.202 -8.135 123 1HA GLY 14 HA2 GLY 14 11.371 3.471 -7.335 124 2HA GLY 14 HA1 GLY 14 10.842 2.943 -5.750 125 H SER 15 HN SER 15 12.715 3.691 -4.821 126 HA SER 15 HA SER 15 15.308 2.972 -5.774 127 1HB SER 15 HB2 SER 15 14.567 4.250 -3.136 128 2HB SER 15 HB1 SER 15 16.117 4.343 -3.973 129 HG SER 15 HG SER 15 15.362 6.007 -4.992 130 H LYS 16 HN LYS 16 13.358 0.855 -4.659 131 HA LYS 16 HA LYS 16 15.477 -0.717 -3.553 132 1HB LYS 16 HB2 LYS 16 14.820 -1.004 -1.398 133 2HB LYS 16 HB1 LYS 16 14.158 0.600 -1.627 134 1HG LYS 16 HG2 LYS 16 12.620 -1.988 -1.773 135 2HG LYS 16 HG1 LYS 16 12.627 -0.851 -0.428 136 1HD LYS 16 HD2 LYS 16 11.799 0.852 -2.220 137 2HD LYS 16 HD1 LYS 16 11.371 -0.609 -3.124 138 1HE LYS 16 HE2 LYS 16 9.964 -1.375 -1.345 139 2HE LYS 16 HE1 LYS 16 10.489 -0.058 -0.299 140 1HZ LYS 16 HZ1 LYS 16 9.099 0.423 -2.871 141 2HZ LYS 16 HZ2 LYS 16 9.332 1.512 -1.591 142 3HZ LYS 16 HZ3 LYS 16 8.264 0.214 -1.417 143 H LYS 17 HN LYS 17 15.109 -2.921 -3.845 144 HA LYS 17 HA LYS 17 13.021 -3.377 -5.811 145 1HB LYS 17 HB2 LYS 17 15.368 -4.146 -6.209 146 2HB LYS 17 HB1 LYS 17 15.167 -5.295 -4.893 147 1HG LYS 17 HG2 LYS 17 13.426 -6.445 -6.092 148 2HG LYS 17 HG1 LYS 17 13.464 -5.233 -7.375 149 1HD LYS 17 HD2 LYS 17 15.800 -5.863 -7.858 150 2HD LYS 17 HD1 LYS 17 15.693 -7.119 -6.622 151 1HE LYS 17 HE2 LYS 17 13.935 -8.230 -7.862 152 2HE LYS 17 HE1 LYS 17 13.937 -6.944 -9.067 153 1HZ LYS 17 HZ1 LYS 17 15.185 -8.823 -9.868 154 2HZ LYS 17 HZ2 LYS 17 16.171 -8.813 -8.486 155 3HZ LYS 17 HZ3 LYS 17 16.244 -7.527 -9.591 156 H TYR 18 HN TYR 18 11.206 -3.324 -4.488 157 HA TYR 18 HA TYR 18 10.888 -5.768 -2.905 158 1HB TYR 18 HB2 TYR 18 10.611 -3.328 -1.843 159 2HB TYR 18 HB1 TYR 18 8.981 -3.532 -2.481 160 HD1 TYR 18 HD1 TYR 18 7.547 -5.379 -1.647 161 HD2 TYR 18 HD2 TYR 18 11.371 -4.586 0.041 162 HE1 TYR 18 HE1 TYR 18 6.965 -6.757 0.307 163 HE2 TYR 18 HE2 TYR 18 10.800 -5.960 1.997 164 HH TYR 18 HH TYR 18 8.674 -6.697 3.171 165 H ASN 19 HN ASN 19 9.027 -7.021 -3.309 166 HA ASN 19 HA ASN 19 8.143 -6.772 -6.018 167 1HB ASN 19 HB2 ASN 19 8.697 -8.965 -5.048 168 2HB ASN 19 HB1 ASN 19 7.336 -8.805 -3.944 169 1HD2 ASN 19 HD21 ASN 19 7.248 -7.729 -7.275 170 2HD2 ASN 19 HD22 ASN 19 6.120 -8.917 -7.828 171 H VAL 20 HN VAL 20 6.223 -7.314 -3.114 172 HA VAL 20 HA VAL 20 4.231 -5.416 -4.124 173 HB VAL 20 HB VAL 20 2.404 -6.991 -3.455 174 1HG1 VAL 20 HG11 VAL 20 3.001 -6.706 -5.795 175 2HG1 VAL 20 HG12 VAL 20 2.528 -8.372 -5.470 176 3HG1 VAL 20 HG13 VAL 20 4.234 -7.957 -5.650 177 1HG2 VAL 20 HG21 VAL 20 4.644 -9.012 -3.347 178 2HG2 VAL 20 HG22 VAL 20 2.919 -9.378 -3.269 179 3HG2 VAL 20 HG23 VAL 20 3.682 -8.447 -1.980 180 H VAL 21 HN VAL 21 2.966 -4.413 -2.556 181 HA VAL 21 HA VAL 21 3.634 -5.051 0.238 182 HB VAL 21 HB VAL 21 4.806 -2.992 -0.481 183 1HG1 VAL 21 HG11 VAL 21 3.535 -0.939 -0.903 184 2HG1 VAL 21 HG12 VAL 21 2.038 -1.871 -0.883 185 3HG1 VAL 21 HG13 VAL 21 3.243 -2.164 -2.138 186 1HG2 VAL 21 HG21 VAL 21 2.623 -2.565 1.548 187 2HG2 VAL 21 HG22 VAL 21 4.076 -1.576 1.381 188 3HG2 VAL 21 HG23 VAL 21 4.212 -3.273 1.839 189 HA PRO 22 HA PRO 22 -0.820 -5.321 0.557 190 1HB PRO 22 HB2 PRO 22 -0.915 -5.767 3.232 191 2HB PRO 22 HB1 PRO 22 -0.474 -7.018 2.063 192 1HG PRO 22 HG2 PRO 22 1.292 -5.319 3.778 193 2HG PRO 22 HG1 PRO 22 1.412 -7.052 3.421 194 1HD PRO 22 HD2 PRO 22 2.936 -5.185 2.179 195 2HD PRO 22 HD1 PRO 22 2.425 -6.687 1.383 196 H VAL 23 HN VAL 23 -2.316 -3.814 0.834 197 HA VAL 23 HA VAL 23 -1.668 -1.448 2.465 198 HB VAL 23 HB VAL 23 -3.014 -0.111 0.877 199 1HG1 VAL 23 HG11 VAL 23 -0.743 -1.629 -0.397 200 2HG1 VAL 23 HG12 VAL 23 -0.595 -0.201 0.628 201 3HG1 VAL 23 HG13 VAL 23 -1.383 -0.080 -0.947 202 1HG2 VAL 23 HG21 VAL 23 -3.612 -1.051 -1.300 203 2HG2 VAL 23 HG22 VAL 23 -4.442 -1.890 0.011 204 3HG2 VAL 23 HG23 VAL 23 -3.047 -2.634 -0.771 205 H LYS 24 HN LYS 24 -3.622 -0.207 3.125 206 HA LYS 24 HA LYS 24 -6.082 -1.751 3.353 207 1HB LYS 24 HB2 LYS 24 -6.198 -1.289 5.809 208 2HB LYS 24 HB1 LYS 24 -4.941 -2.434 5.360 209 1HG LYS 24 HG2 LYS 24 -3.232 -0.915 5.779 210 2HG LYS 24 HG1 LYS 24 -4.313 0.474 5.684 211 1HD LYS 24 HD2 LYS 24 -3.638 0.028 7.990 212 2HD LYS 24 HD1 LYS 24 -5.374 -0.193 7.774 213 1HE LYS 24 HE2 LYS 24 -5.005 -2.628 7.589 214 2HE LYS 24 HE1 LYS 24 -3.288 -2.368 7.905 215 1HZ LYS 24 HZ1 LYS 24 -3.875 -1.409 10.056 216 2HZ LYS 24 HZ2 LYS 24 -4.451 -2.996 9.921 217 3HZ LYS 24 HZ3 LYS 24 -5.518 -1.695 9.748 218 H SER 25 HN SER 25 -7.742 -0.346 4.606 219 HA SER 25 HA SER 25 -7.459 2.460 3.745 220 1HB SER 25 HB2 SER 25 -9.985 0.950 4.455 221 2HB SER 25 HB1 SER 25 -9.876 2.550 3.722 222 HG SER 25 HG SER 25 -8.666 0.353 2.454 223 H ASN 26 HN ASN 26 -7.384 4.033 5.271 224 HA ASN 26 HA ASN 26 -7.343 3.249 8.039 225 1HB ASN 26 HB2 ASN 26 -6.631 5.464 8.552 226 2HB ASN 26 HB1 ASN 26 -5.819 5.010 7.058 227 1HD2 ASN 26 HD21 ASN 26 -6.261 6.112 5.196 228 2HD2 ASN 26 HD22 ASN 26 -7.200 7.566 5.172 229 H LYS 27 HN LYS 27 -9.738 4.188 5.893 230 HA LYS 27 HA LYS 27 -11.601 4.463 8.132 231 1HB LYS 27 HB2 LYS 27 -11.144 6.729 7.157 232 2HB LYS 27 HB1 LYS 27 -11.764 6.145 5.618 233 1HG LYS 27 HG2 LYS 27 -13.946 5.794 6.581 234 2HG LYS 27 HG1 LYS 27 -13.343 6.219 8.183 235 1HD LYS 27 HD2 LYS 27 -14.510 8.109 7.313 236 2HD LYS 27 HD1 LYS 27 -12.785 8.481 7.286 237 1HE LYS 27 HE2 LYS 27 -12.697 7.942 4.912 238 2HE LYS 27 HE1 LYS 27 -14.411 7.528 4.934 239 1HZ LYS 27 HZ1 LYS 27 -14.923 9.811 5.528 240 2HZ LYS 27 HZ2 LYS 27 -14.050 9.754 4.079 241 3HZ LYS 27 HZ3 LYS 27 -13.273 10.210 5.519 242 HA PRO 28 HA PRO 28 -13.516 1.050 6.137 243 1HB PRO 28 HB2 PRO 28 -16.121 1.551 6.944 244 2HB PRO 28 HB1 PRO 28 -14.904 0.698 7.893 245 1HG PRO 28 HG2 PRO 28 -15.766 3.554 8.037 246 2HG PRO 28 HG1 PRO 28 -15.355 2.437 9.352 247 1HD PRO 28 HD2 PRO 28 -13.632 4.317 8.544 248 2HD PRO 28 HD1 PRO 28 -13.069 2.702 9.029 249 H VAL 29 HN VAL 29 -14.421 0.583 4.270 250 HA VAL 29 HA VAL 29 -15.869 2.675 2.788 251 HB VAL 29 HB VAL 29 -14.946 1.477 0.722 252 1HG1 VAL 29 HG11 VAL 29 -12.827 2.709 0.786 253 2HG1 VAL 29 HG12 VAL 29 -13.028 2.946 2.521 254 3HG1 VAL 29 HG13 VAL 29 -14.168 3.681 1.393 255 1HG2 VAL 29 HG21 VAL 29 -12.837 0.282 1.028 256 2HG2 VAL 29 HG22 VAL 29 -14.180 -0.541 1.818 257 3HG2 VAL 29 HG23 VAL 29 -13.034 0.397 2.776 258 H GLU 30 HN GLU 30 -17.099 1.564 0.878 259 HA GLU 30 HA GLU 30 -18.973 -0.250 2.032 260 1HB GLU 30 HB2 GLU 30 -18.626 0.508 -0.872 261 2HB GLU 30 HB1 GLU 30 -20.058 -0.200 -0.142 262 1HG GLU 30 HG2 GLU 30 -20.574 1.774 1.014 263 2HG GLU 30 HG1 GLU 30 -18.979 2.464 0.713 264 H ILE 31 HN ILE 31 -19.150 -2.449 1.794 265 HA ILE 31 HA ILE 31 -16.994 -3.968 0.749 266 HB ILE 31 HB ILE 31 -18.481 -5.933 0.991 267 1HG1 ILE 31 HG12 ILE 31 -20.552 -3.915 1.892 268 2HG1 ILE 31 HG11 ILE 31 -20.603 -4.807 0.375 269 1HG2 ILE 31 HG21 ILE 31 -18.487 -4.047 3.343 270 2HG2 ILE 31 HG22 ILE 31 -17.184 -5.144 2.888 271 3HG2 ILE 31 HG23 ILE 31 -18.735 -5.791 3.425 272 1HD1 ILE 31 HD11 ILE 31 -20.708 -6.018 3.130 273 2HD1 ILE 31 HD12 ILE 31 -20.786 -6.900 1.604 274 3HD1 ILE 31 HD13 ILE 31 -22.079 -5.785 2.045 275 H SER 32 HN SER 32 -17.011 -5.349 -1.111 276 HA SER 32 HA SER 32 -17.266 -5.820 -3.314 277 1HB SER 32 HB2 SER 32 -19.907 -4.349 -3.136 278 2HB SER 32 HB1 SER 32 -19.392 -5.414 -4.445 279 HG SER 32 HG SER 32 -20.458 -6.806 -3.231 280 H LYS 33 HN LYS 33 -17.921 -2.535 -2.296 281 HA LYS 33 HA LYS 33 -17.235 -1.178 -4.673 282 1HB LYS 33 HB2 LYS 33 -18.392 -0.169 -2.731 283 2HB LYS 33 HB1 LYS 33 -16.933 -0.338 -1.778 284 1HG LYS 33 HG2 LYS 33 -17.201 1.940 -2.471 285 2HG LYS 33 HG1 LYS 33 -15.796 1.241 -3.276 286 1HD LYS 33 HD2 LYS 33 -16.897 1.120 -5.337 287 2HD LYS 33 HD1 LYS 33 -18.488 1.297 -4.595 288 1HE LYS 33 HE2 LYS 33 -16.430 3.473 -4.423 289 2HE LYS 33 HE1 LYS 33 -17.492 3.323 -5.824 290 1HZ LYS 33 HZ1 LYS 33 -19.386 3.669 -4.488 291 2HZ LYS 33 HZ2 LYS 33 -18.275 4.856 -4.019 292 3HZ LYS 33 HZ3 LYS 33 -18.521 3.491 -3.042 293 H TRP 34 HN TRP 34 -15.416 -2.950 -2.422 294 HA TRP 34 HA TRP 34 -12.882 -1.848 -2.460 295 1HB TRP 34 HB2 TRP 34 -13.630 -4.778 -2.530 296 2HB TRP 34 HB1 TRP 34 -12.053 -4.148 -2.077 297 HD1 TRP 34 HD1 TRP 34 -13.793 -1.712 -0.368 298 HE1 TRP 34 HE1 TRP 34 -14.482 -2.378 2.020 299 HE3 TRP 34 HE3 TRP 34 -13.332 -6.783 -0.779 300 HZ2 TRP 34 HZ2 TRP 34 -14.790 -4.742 3.527 301 HZ3 TRP 34 HZ3 TRP 34 -13.842 -8.175 1.181 302 HH2 TRP 34 HH2 TRP 34 -14.555 -7.175 3.291 303 H ILE 35 HN ILE 35 -14.469 -3.854 -4.878 304 HA ILE 35 HA ILE 35 -12.213 -4.536 -6.392 305 HB ILE 35 HB ILE 35 -15.134 -4.362 -7.104 306 1HG1 ILE 35 HG12 ILE 35 -14.812 -6.860 -7.338 307 2HG1 ILE 35 HG11 ILE 35 -13.194 -6.646 -6.687 308 1HG2 ILE 35 HG21 ILE 35 -12.915 -5.281 -8.928 309 2HG2 ILE 35 HG22 ILE 35 -13.918 -3.846 -9.145 310 3HG2 ILE 35 HG23 ILE 35 -14.643 -5.450 -9.239 311 1HD1 ILE 35 HD11 ILE 35 -15.776 -6.019 -5.274 312 2HD1 ILE 35 HD12 ILE 35 -14.161 -5.769 -4.614 313 3HD1 ILE 35 HD13 ILE 35 -14.723 -7.401 -4.973 314 H ASP 36 HN ASP 36 -14.265 -1.688 -6.456 315 HA ASP 36 HA ASP 36 -13.306 -0.636 -8.911 316 1HB ASP 36 HB2 ASP 36 -15.437 0.046 -7.789 317 2HB ASP 36 HB1 ASP 36 -14.480 0.883 -6.571 318 H PHE 37 HN PHE 37 -12.430 -0.074 -5.521 319 HA PHE 37 HA PHE 37 -10.363 1.792 -6.045 320 1HB PHE 37 HB2 PHE 37 -10.770 -0.056 -3.685 321 2HB PHE 37 HB1 PHE 37 -9.577 1.236 -3.743 322 HD1 PHE 37 HD1 PHE 37 -10.577 3.610 -4.344 323 HD2 PHE 37 HD2 PHE 37 -12.795 0.370 -2.701 324 HE1 PHE 37 HE1 PHE 37 -12.250 5.197 -3.480 325 HE2 PHE 37 HE2 PHE 37 -14.471 1.950 -1.838 326 HZ PHE 37 HZ PHE 37 -14.201 4.366 -2.230 327 H SER 38 HN SER 38 -10.446 -1.719 -5.796 328 HA SER 38 HA SER 38 -7.654 -2.135 -5.871 329 1HB SER 38 HB2 SER 38 -9.373 -3.842 -5.193 330 2HB SER 38 HB1 SER 38 -9.795 -4.018 -6.896 331 HG SER 38 HG SER 38 -7.328 -4.369 -7.034 332 H ASN 39 HN ASN 39 -10.075 -1.662 -8.376 333 HA ASN 39 HA ASN 39 -8.483 -2.284 -10.615 334 1HB ASN 39 HB2 ASN 39 -10.946 -0.692 -10.148 335 2HB ASN 39 HB1 ASN 39 -10.045 -0.332 -11.616 336 1HD2 ASN 39 HD21 ASN 39 -11.890 -2.720 -9.895 337 2HD2 ASN 39 HD22 ASN 39 -12.154 -3.770 -11.247 338 H VAL 40 HN VAL 40 -8.964 0.719 -8.808 339 HA VAL 40 HA VAL 40 -7.269 2.345 -10.359 340 HB VAL 40 HB VAL 40 -7.790 2.581 -7.391 341 1HG1 VAL 40 HG11 VAL 40 -5.947 3.977 -8.098 342 2HG1 VAL 40 HG12 VAL 40 -7.361 4.983 -7.763 343 3HG1 VAL 40 HG13 VAL 40 -6.908 4.620 -9.429 344 1HG2 VAL 40 HG21 VAL 40 -9.328 3.726 -9.718 345 2HG2 VAL 40 HG22 VAL 40 -9.610 4.105 -8.018 346 3HG2 VAL 40 HG23 VAL 40 -9.884 2.467 -8.615 347 H LEU 41 HN LEU 41 -6.598 0.414 -7.445 348 HA LEU 41 HA LEU 41 -3.878 1.156 -7.227 349 1HB LEU 41 HB2 LEU 41 -5.290 -1.303 -6.196 350 2HB LEU 41 HB1 LEU 41 -3.680 -0.796 -5.721 351 HG LEU 41 HG LEU 41 -6.243 0.716 -5.195 352 1HD1 LEU 41 HD11 LEU 41 -4.362 -0.737 -3.339 353 2HD1 LEU 41 HD12 LEU 41 -5.972 -1.281 -3.816 354 3HD1 LEU 41 HD13 LEU 41 -5.784 0.188 -2.859 355 1HD2 LEU 41 HD21 LEU 41 -4.854 2.244 -3.895 356 2HD2 LEU 41 HD22 LEU 41 -4.362 2.235 -5.589 357 3HD2 LEU 41 HD23 LEU 41 -3.408 1.366 -4.387 358 H SER 42 HN SER 42 -5.484 -1.184 -9.202 359 HA SER 42 HA SER 42 -3.325 -2.911 -9.737 360 1HB SER 42 HB2 SER 42 -5.683 -3.431 -10.290 361 2HB SER 42 HB1 SER 42 -5.657 -2.182 -11.530 362 HG SER 42 HG SER 42 -3.973 -4.472 -11.473 363 H ARG 43 HN ARG 43 -3.977 0.305 -10.699 364 HA ARG 43 HA ARG 43 -2.031 0.162 -12.896 365 1HB ARG 43 HB2 ARG 43 -4.078 2.264 -12.170 366 2HB ARG 43 HB1 ARG 43 -2.915 2.431 -13.478 367 1HG ARG 43 HG2 ARG 43 -3.883 0.610 -14.674 368 2HG ARG 43 HG1 ARG 43 -4.928 0.204 -13.311 369 1HD ARG 43 HD2 ARG 43 -6.109 1.420 -15.109 370 2HD ARG 43 HD1 ARG 43 -6.146 2.264 -13.562 371 HE ARG 43 HE ARG 43 -4.322 3.686 -14.476 372 1HH1 ARG 43 HH11 ARG 43 -6.462 1.974 -16.659 373 2HH1 ARG 43 HH12 ARG 43 -6.254 3.107 -17.958 374 1HH2 ARG 43 HH21 ARG 43 -4.034 5.170 -16.190 375 2HH2 ARG 43 HH22 ARG 43 -4.884 4.924 -17.684 376 H LEU 44 HN LEU 44 -1.651 0.360 -9.826 377 HA LEU 44 HA LEU 44 -0.057 2.840 -9.796 378 1HB LEU 44 HB2 LEU 44 -1.946 2.752 -8.196 379 2HB LEU 44 HB1 LEU 44 -1.240 1.322 -7.469 380 HG LEU 44 HG LEU 44 0.784 2.736 -6.919 381 1HD1 LEU 44 HD11 LEU 44 0.392 4.537 -8.504 382 2HD1 LEU 44 HD12 LEU 44 0.447 5.157 -6.854 383 3HD1 LEU 44 HD13 LEU 44 -1.104 4.961 -7.670 384 1HD2 LEU 44 HD21 LEU 44 -1.861 3.512 -5.704 385 2HD2 LEU 44 HD22 LEU 44 -0.276 3.744 -4.967 386 3HD2 LEU 44 HD23 LEU 44 -0.885 2.114 -5.258 387 H TYR 45 HN TYR 45 2.070 2.750 -9.333 388 HA TYR 45 HA TYR 45 3.163 0.247 -8.225 389 1HB TYR 45 HB2 TYR 45 4.425 2.032 -10.323 390 2HB TYR 45 HB1 TYR 45 5.276 0.744 -9.481 391 HD1 TYR 45 HD2 TYR 45 3.788 -1.570 -9.551 392 HD2 TYR 45 HD1 TYR 45 3.809 1.522 -12.469 393 HE1 TYR 45 HE2 TYR 45 3.058 -3.184 -11.254 394 HE2 TYR 45 HE1 TYR 45 3.073 -0.083 -14.183 395 HH TYR 45 HH TYR 45 3.269 -2.682 -14.488 396 H VAL 46 HN VAL 46 3.404 0.872 -6.132 397 HA VAL 46 HA VAL 46 4.133 3.580 -5.474 398 HB VAL 46 HB VAL 46 2.537 2.513 -4.033 399 1HG1 VAL 46 HG11 VAL 46 3.085 0.554 -2.667 400 2HG1 VAL 46 HG12 VAL 46 4.646 0.429 -3.479 401 3HG1 VAL 46 HG13 VAL 46 3.156 0.189 -4.392 402 1HG2 VAL 46 HG21 VAL 46 4.029 4.098 -2.959 403 2HG2 VAL 46 HG22 VAL 46 5.190 2.813 -2.627 404 3HG2 VAL 46 HG23 VAL 46 3.613 2.799 -1.840 405 H GLY 47 HN GLY 47 6.112 4.341 -5.148 406 1HA GLY 47 HA2 GLY 47 8.286 2.365 -5.009 407 2HA GLY 47 HA1 GLY 47 8.434 3.963 -5.729 408 H VAL 48 HN VAL 48 10.348 3.361 -4.085 409 HA VAL 48 HA VAL 48 11.552 4.261 -2.383 410 HB VAL 48 HB VAL 48 9.046 5.850 -1.807 411 1HG1 VAL 48 HG11 VAL 48 11.828 6.198 -0.691 412 2HG1 VAL 48 HG12 VAL 48 10.408 5.659 0.206 413 3HG1 VAL 48 HG13 VAL 48 10.471 7.298 -0.441 414 1HG2 VAL 48 HG21 VAL 48 10.044 6.352 -3.970 415 2HG2 VAL 48 HG22 VAL 48 11.613 6.596 -3.204 416 3HG2 VAL 48 HG23 VAL 48 10.280 7.695 -2.851 417 HA PRO 49 HA PRO 49 10.635 1.396 0.967 418 1HB PRO 49 HB2 PRO 49 12.619 3.146 2.342 419 2HB PRO 49 HB1 PRO 49 12.588 1.385 2.185 420 1HG PRO 49 HG2 PRO 49 14.292 2.827 0.749 421 2HG PRO 49 HG1 PRO 49 13.466 1.430 0.034 422 1HD PRO 49 HD2 PRO 49 12.904 4.344 -0.313 423 2HD PRO 49 HD1 PRO 49 12.854 3.037 -1.511 424 H THR 50 HN THR 50 8.808 1.683 2.075 425 HA THR 50 HA THR 50 8.366 4.243 3.443 426 HB THR 50 HB THR 50 5.883 3.571 3.163 427 HG1 THR 50 HG1 THR 50 5.588 2.315 1.203 428 1HG2 THR 50 HG21 THR 50 7.519 4.423 0.768 429 2HG2 THR 50 HG22 THR 50 6.907 5.485 2.036 430 3HG2 THR 50 HG23 THR 50 5.782 4.655 0.962 431 H LYS 51 HN LYS 51 6.672 4.001 5.242 432 HA LYS 51 HA LYS 51 7.262 1.530 6.745 433 1HB LYS 51 HB2 LYS 51 8.403 3.701 7.510 434 2HB LYS 51 HB1 LYS 51 6.805 4.237 8.003 435 1HG LYS 51 HG2 LYS 51 6.626 2.400 9.559 436 2HG LYS 51 HG1 LYS 51 8.170 1.749 9.012 437 1HD LYS 51 HD2 LYS 51 9.288 3.790 9.805 438 2HD LYS 51 HD1 LYS 51 7.735 4.409 10.371 439 1HE LYS 51 HE2 LYS 51 9.102 1.895 11.330 440 2HE LYS 51 HE1 LYS 51 9.025 3.425 12.202 441 1HZ LYS 51 HZ1 LYS 51 7.371 1.850 13.000 442 2HZ LYS 51 HZ2 LYS 51 6.689 1.754 11.456 443 3HZ LYS 51 HZ3 LYS 51 6.627 3.212 12.316 444 H SER 52 HN SER 52 5.615 1.231 8.587 445 HA SER 52 HA SER 52 3.126 0.702 7.538 446 1HB SER 52 HB2 SER 52 2.516 0.775 10.135 447 2HB SER 52 HB1 SER 52 3.518 -0.502 9.444 448 HG SER 52 HG SER 52 4.446 1.875 10.716 449 H GLY 53 HN GLY 53 1.556 1.977 6.868 450 1HA GLY 53 HA2 GLY 53 -0.226 3.472 7.373 451 2HA GLY 53 HA1 GLY 53 0.825 4.287 8.524 452 H ASN 54 HN ASN 54 2.035 3.438 5.384 453 HA ASN 54 HA ASN 54 2.346 6.275 4.797 454 1HB ASN 54 HB2 ASN 54 3.832 5.610 3.000 455 2HB ASN 54 HB1 ASN 54 4.277 4.752 4.469 456 1HD2 ASN 54 HD21 ASN 54 4.022 2.542 4.576 457 2HD2 ASN 54 HD22 ASN 54 3.692 1.581 3.174 458 H VAL 55 HN VAL 55 1.273 7.369 3.257 459 HA VAL 55 HA VAL 55 -1.092 6.052 2.202 460 HB VAL 55 HB VAL 55 -0.316 8.968 1.994 461 1HG1 VAL 55 HG11 VAL 55 -1.995 8.243 0.375 462 2HG1 VAL 55 HG12 VAL 55 -2.690 9.328 1.580 463 3HG1 VAL 55 HG13 VAL 55 -2.979 7.592 1.686 464 1HG2 VAL 55 HG21 VAL 55 -0.454 8.349 4.330 465 2HG2 VAL 55 HG22 VAL 55 -2.016 7.576 4.057 466 3HG2 VAL 55 HG23 VAL 55 -1.855 9.324 3.885 467 H VAL 56 HN VAL 56 -1.226 5.305 0.181 468 HA VAL 56 HA VAL 56 0.712 6.248 -1.806 469 HB VAL 56 HB VAL 56 -0.092 4.380 -3.222 470 1HG1 VAL 56 HG11 VAL 56 0.894 2.577 -1.870 471 2HG1 VAL 56 HG12 VAL 56 0.803 3.617 -0.448 472 3HG1 VAL 56 HG13 VAL 56 1.839 4.064 -1.804 473 1HG2 VAL 56 HG21 VAL 56 -1.527 2.647 -2.271 474 2HG2 VAL 56 HG22 VAL 56 -2.372 4.193 -2.347 475 3HG2 VAL 56 HG23 VAL 56 -1.737 3.612 -0.809 476 H CYS 57 HN CYS 57 -2.747 6.010 -1.212 477 HA CYS 57 HA CYS 57 -3.139 8.100 -3.235 478 1HB CYS 57 HB2 CYS 57 -4.998 5.758 -2.735 479 2HB CYS 57 HB1 CYS 57 -5.302 7.091 -3.846 480 HG CYS 57 HG CYS 57 -2.501 6.109 -4.879 481 H LYS 58 HN LYS 58 -3.528 9.851 -2.021 482 HA LYS 58 HA LYS 58 -5.089 9.563 0.434 483 1HB LYS 58 HB2 LYS 58 -2.876 10.841 0.358 484 2HB LYS 58 HB1 LYS 58 -3.739 12.079 -0.545 485 1HG LYS 58 HG2 LYS 58 -5.260 12.413 1.306 486 2HG LYS 58 HG1 LYS 58 -4.483 11.113 2.208 487 1HD LYS 58 HD2 LYS 58 -2.347 12.451 2.047 488 2HD LYS 58 HD1 LYS 58 -3.330 13.784 1.434 489 1HE LYS 58 HE2 LYS 58 -3.656 12.403 4.097 490 2HE LYS 58 HE1 LYS 58 -2.952 13.998 3.836 491 1HZ LYS 58 HZ1 LYS 58 -5.049 14.839 3.123 492 2HZ LYS 58 HZ2 LYS 58 -5.308 14.008 4.580 493 3HZ LYS 58 HZ3 LYS 58 -5.745 13.291 3.111 494 H ASN 59 HN ASN 59 -7.120 10.203 0.605 495 HA ASN 59 HA ASN 59 -9.222 10.812 -0.037 496 1HB ASN 59 HB2 ASN 59 -7.737 13.064 0.080 497 2HB ASN 59 HB1 ASN 59 -8.227 13.129 -1.610 498 1HD2 ASN 59 HD21 ASN 59 -9.271 13.234 1.687 499 2HD2 ASN 59 HD22 ASN 59 -10.877 13.816 1.385 500 H ILE 60 HN ILE 60 -8.132 8.893 -1.596 501 HA ILE 60 HA ILE 60 -7.487 9.203 -4.188 502 HB ILE 60 HB ILE 60 -7.299 7.075 -3.157 503 1HG1 ILE 60 HG12 ILE 60 -9.287 6.871 -5.427 504 2HG1 ILE 60 HG11 ILE 60 -7.550 7.088 -5.608 505 1HG2 ILE 60 HG21 ILE 60 -9.239 7.164 -1.696 506 2HG2 ILE 60 HG22 ILE 60 -9.208 5.656 -2.609 507 3HG2 ILE 60 HG23 ILE 60 -10.310 6.949 -3.083 508 1HD1 ILE 60 HD11 ILE 60 -7.171 4.919 -4.560 509 2HD1 ILE 60 HD12 ILE 60 -8.198 4.781 -5.988 510 3HD1 ILE 60 HD13 ILE 60 -8.911 4.703 -4.376 511 H MET 61 HN MET 61 -10.865 8.768 -3.108 512 HA MET 61 HA MET 61 -11.698 10.010 -5.631 513 1HB MET 61 HB2 MET 61 -12.805 7.457 -4.457 514 2HB MET 61 HB1 MET 61 -13.639 8.390 -5.693 515 1HG MET 61 HG2 MET 61 -10.900 7.171 -5.979 516 2HG MET 61 HG1 MET 61 -12.392 6.494 -6.627 517 1HE MET 61 HE1 MET 61 -9.781 7.049 -8.371 518 2HE MET 61 HE2 MET 61 -10.491 7.749 -9.825 519 3HE MET 61 HE3 MET 61 -11.263 6.370 -9.041 520 H ASN 62 HN ASN 62 -11.446 11.409 -3.388 521 HA ASN 62 HA ASN 62 -12.428 12.885 -2.023 522 1HB ASN 62 HB2 ASN 62 -14.354 14.023 -2.770 523 2HB ASN 62 HB1 ASN 62 -13.502 13.490 -4.205 524 1HD2 ASN 62 HD21 ASN 62 -15.165 13.499 -5.588 525 2HD2 ASN 62 HD22 ASN 62 -16.548 12.470 -5.459 526 H THR 63 HN THR 63 -13.217 9.813 -1.736 527 HA THR 63 HA THR 63 -15.491 9.989 0.003 528 HB THR 63 HB THR 63 -15.177 7.939 -1.218 529 HG1 THR 63 HG1 THR 63 -15.887 7.876 1.100 530 1HG2 THR 63 HG21 THR 63 -12.756 8.021 -1.503 531 2HG2 THR 63 HG22 THR 63 -13.263 6.457 -0.862 532 3HG2 THR 63 HG23 THR 63 -12.534 7.656 0.209 533 H GLY 64 HN GLY 64 -12.224 10.691 0.359 534 1HA GLY 64 HA2 GLY 64 -11.219 11.598 2.261 535 2HA GLY 64 HA1 GLY 64 -12.552 10.984 3.227 536 H VAL 65 HN VAL 65 -11.804 8.407 1.493 537 HA VAL 65 HA VAL 65 -10.225 7.225 3.589 538 HB VAL 65 HB VAL 65 -11.329 6.088 1.017 539 1HG1 VAL 65 HG11 VAL 65 -10.654 3.887 1.861 540 2HG1 VAL 65 HG12 VAL 65 -9.836 4.662 3.218 541 3HG1 VAL 65 HG13 VAL 65 -9.257 4.923 1.573 542 1HG2 VAL 65 HG21 VAL 65 -12.825 4.873 2.495 543 2HG2 VAL 65 HG22 VAL 65 -12.968 6.612 2.764 544 3HG2 VAL 65 HG23 VAL 65 -12.057 5.612 3.899 545 H ASP 66 HN ASP 66 -8.109 7.065 3.629 546 HA ASP 66 HA ASP 66 -6.600 7.527 1.148 547 1HB ASP 66 HB2 ASP 66 -5.475 7.673 3.949 548 2HB ASP 66 HB1 ASP 66 -4.769 8.300 2.464 549 H ILE 67 HN ILE 67 -5.580 5.838 0.313 550 HA ILE 67 HA ILE 67 -5.681 3.315 1.721 551 HB ILE 67 HB ILE 67 -4.536 3.941 -1.006 552 1HG1 ILE 67 HG12 ILE 67 -6.901 4.457 -0.964 553 2HG1 ILE 67 HG11 ILE 67 -6.667 2.947 -1.841 554 1HG2 ILE 67 HG21 ILE 67 -3.624 1.885 -0.085 555 2HG2 ILE 67 HG22 ILE 67 -4.740 1.527 -1.403 556 3HG2 ILE 67 HG23 ILE 67 -5.252 1.301 0.269 557 1HD1 ILE 67 HD11 ILE 67 -7.585 3.199 1.018 558 2HD1 ILE 67 HD12 ILE 67 -7.370 1.691 0.126 559 3HD1 ILE 67 HD13 ILE 67 -8.607 2.844 -0.375 560 H ILE 68 HN ILE 68 -4.122 2.625 3.015 561 HA ILE 68 HA ILE 68 -1.436 3.796 2.692 562 HB ILE 68 HB ILE 68 -1.184 3.722 5.148 563 1HG1 ILE 68 HG12 ILE 68 -4.142 3.071 5.151 564 2HG1 ILE 68 HG11 ILE 68 -2.852 1.964 5.612 565 1HG2 ILE 68 HG21 ILE 68 -1.828 5.798 4.074 566 2HG2 ILE 68 HG22 ILE 68 -2.623 5.654 5.642 567 3HG2 ILE 68 HG23 ILE 68 -3.528 5.341 4.161 568 1HD1 ILE 68 HD11 ILE 68 -3.531 4.544 7.001 569 2HD1 ILE 68 HD12 ILE 68 -2.260 3.414 7.470 570 3HD1 ILE 68 HD13 ILE 68 -3.953 2.923 7.556 571 H CYS 69 HN CYS 69 0.285 2.462 2.846 572 HA CYS 69 HA CYS 69 -0.229 -0.396 3.079 573 1HB CYS 69 HB2 CYS 69 2.530 0.710 2.785 574 2HB CYS 69 HB1 CYS 69 1.822 -0.739 2.080 575 HG CYS 69 HG CYS 69 2.004 2.360 0.851 576 H THR 70 HN THR 70 0.453 -1.651 4.796 577 HA THR 70 HA THR 70 1.324 -0.098 7.139 578 HB THR 70 HB THR 70 -0.846 -1.187 7.414 579 HG1 THR 70 HG1 THR 70 1.318 -2.255 8.916 580 1HG2 THR 70 HG21 THR 70 0.631 -3.771 6.891 581 2HG2 THR 70 HG22 THR 70 -0.581 -3.034 5.843 582 3HG2 THR 70 HG23 THR 70 -1.042 -3.641 7.434 583 H LYS 71 HN LYS 71 2.887 -1.622 4.907 584 HA LYS 71 HA LYS 71 4.445 -3.411 6.612 585 1HB LYS 71 HB2 LYS 71 4.012 -3.126 3.709 586 2HB LYS 71 HB1 LYS 71 5.638 -3.592 4.190 587 1HG LYS 71 HG2 LYS 71 3.156 -5.022 5.095 588 2HG LYS 71 HG1 LYS 71 4.101 -5.484 3.678 589 1HD LYS 71 HD2 LYS 71 6.050 -5.858 5.045 590 2HD LYS 71 HD1 LYS 71 5.194 -5.283 6.479 591 1HE LYS 71 HE2 LYS 71 3.610 -7.146 6.264 592 2HE LYS 71 HE1 LYS 71 4.489 -7.721 4.848 593 1HZ LYS 71 HZ1 LYS 71 6.428 -8.073 6.220 594 2HZ LYS 71 HZ2 LYS 71 5.107 -8.925 6.859 595 3HZ LYS 71 HZ3 LYS 71 5.619 -7.479 7.586 596 H ASN 72 HN ASN 72 6.572 -3.109 7.075 597 HA ASN 72 HA ASN 72 7.623 -0.418 6.601 598 1HB ASN 72 HB2 ASN 72 8.483 -2.601 8.520 599 2HB ASN 72 HB1 ASN 72 9.360 -1.091 8.307 600 1HD2 ASN 72 HD21 ASN 72 5.862 -1.402 8.276 601 2HD2 ASN 72 HD22 ASN 72 5.579 -0.528 9.745 602 H LEU 73 HN LEU 73 8.618 -0.333 4.688 603 HA LEU 73 HA LEU 73 10.169 -2.660 3.802 604 1HB LEU 73 HB2 LEU 73 9.350 -0.228 2.207 605 2HB LEU 73 HB1 LEU 73 10.049 -1.706 1.576 606 HG LEU 73 HG LEU 73 7.283 -1.307 2.695 607 1HD1 LEU 73 HD11 LEU 73 6.594 -2.186 0.523 608 2HD1 LEU 73 HD12 LEU 73 8.285 -2.251 0.025 609 3HD1 LEU 73 HD13 LEU 73 7.529 -0.697 0.380 610 1HD2 LEU 73 HD21 LEU 73 8.184 -3.384 3.592 611 2HD2 LEU 73 HD22 LEU 73 8.615 -3.901 1.961 612 3HD2 LEU 73 HD23 LEU 73 6.920 -3.692 2.402 613 HA PRO 74 HA PRO 74 13.750 -0.063 4.634 614 1HB PRO 74 HB2 PRO 74 15.451 -2.044 5.174 615 2HB PRO 74 HB1 PRO 74 14.169 -1.617 6.315 616 1HG PRO 74 HG2 PRO 74 14.349 -3.926 4.447 617 2HG PRO 74 HG1 PRO 74 13.610 -3.835 6.053 618 1HD PRO 74 HD2 PRO 74 12.281 -3.647 3.566 619 2HD PRO 74 HD1 PRO 74 11.593 -3.306 5.165 620 H LYS 75 HN LYS 75 16.198 -0.540 3.835 621 HA LYS 75 HA LYS 75 16.004 -1.183 0.974 622 1HB LYS 75 HB2 LYS 75 17.993 0.548 2.440 623 2HB LYS 75 HB1 LYS 75 18.158 0.081 0.755 624 1HG LYS 75 HG2 LYS 75 15.925 1.165 0.352 625 2HG LYS 75 HG1 LYS 75 16.043 1.816 1.988 626 1HD LYS 75 HD2 LYS 75 16.909 3.539 0.704 627 2HD LYS 75 HD1 LYS 75 18.361 2.680 1.214 628 1HE LYS 75 HE2 LYS 75 16.969 2.395 -1.451 629 2HE LYS 75 HE1 LYS 75 18.462 3.277 -1.158 630 1HZ LYS 75 HZ1 LYS 75 19.511 1.175 -0.502 631 2HZ LYS 75 HZ2 LYS 75 18.926 1.116 -2.092 632 3HZ LYS 75 HZ3 LYS 75 18.075 0.348 -0.850 633 H ASP 76 HN ASP 76 16.392 -3.303 0.879 634 HA ASP 76 HA ASP 76 17.627 -5.192 0.667 635 1HB ASP 76 HB2 ASP 76 20.028 -3.455 1.283 636 2HB ASP 76 HB1 ASP 76 20.036 -5.010 0.461 637 H SER 77 HN SER 77 19.762 -6.258 1.959 638 HA SER 77 HA SER 77 18.787 -6.414 4.709 639 1HB SER 77 HB2 SER 77 20.282 -8.520 4.708 640 2HB SER 77 HB1 SER 77 18.801 -8.565 3.751 641 HG SER 77 HG SER 77 21.391 -7.955 2.744 642 H LEU 78 HN LEU 78 19.780 -4.538 5.476 643 HA LEU 78 HA LEU 78 22.704 -4.472 5.499 644 1HB LEU 78 HB2 LEU 78 20.702 -2.459 6.535 645 2HB LEU 78 HB1 LEU 78 22.438 -2.231 6.468 646 HG LEU 78 HG LEU 78 20.643 -2.581 4.064 647 1HD1 LEU 78 HD11 LEU 78 20.238 -0.463 5.196 648 2HD1 LEU 78 HD12 LEU 78 21.073 -0.207 3.665 649 3HD1 LEU 78 HD13 LEU 78 21.966 -0.112 5.183 650 1HD2 LEU 78 HD21 LEU 78 22.618 -1.910 2.787 651 2HD2 LEU 78 HD22 LEU 78 22.909 -3.402 3.681 652 3HD2 LEU 78 HD23 LEU 78 23.570 -1.877 4.270 653 H GLU 79 HN GLU 79 19.988 -5.150 7.503 654 HA GLU 79 HA GLU 79 21.572 -6.165 9.634 655 1HB GLU 79 HB2 GLU 79 21.270 -3.453 9.782 656 2HB GLU 79 HB1 GLU 79 19.849 -3.992 10.664 657 1HG GLU 79 HG2 GLU 79 22.683 -4.792 11.288 658 2HG GLU 79 HG1 GLU 79 21.773 -3.529 12.116 659 H HIS 80 HN HIS 80 20.228 -7.258 11.212 660 HA HIS 80 HA HIS 80 17.821 -8.266 10.037 661 1HB HIS 80 HB2 HIS 80 17.774 -9.857 11.760 662 2HB HIS 80 HB1 HIS 80 19.486 -9.562 11.500 663 HD1 HIS 80 HD1 HIS 80 20.439 -7.590 13.312 664 HD2 HIS 80 HD2 HIS 80 17.127 -9.885 14.361 665 HE1 HIS 80 HE1 HIS 80 20.285 -7.461 15.816 666 HE2 HIS 80 HE2 HIS 80 18.386 -8.990 16.443 667 H HIS 81 HN HIS 81 18.561 -5.701 12.133 668 HA HIS 81 HA HIS 81 17.311 -4.027 12.990 669 1HB HIS 81 HB2 HIS 81 15.023 -5.417 11.592 670 2HB HIS 81 HB1 HIS 81 14.872 -3.880 12.433 671 HD1 HIS 81 HD1 HIS 81 15.665 -5.318 9.189 672 HD2 HIS 81 HD2 HIS 81 16.542 -1.786 11.216 673 HE1 HIS 81 HE1 HIS 81 16.396 -3.683 7.423 674 HE2 HIS 81 HE2 HIS 81 16.997 -1.572 8.669 675 H HIS 82 HN HIS 82 15.542 -3.591 14.599 676 HA HIS 82 HA HIS 82 14.742 -5.936 16.130 677 1HB HIS 82 HB2 HIS 82 15.501 -4.791 18.272 678 2HB HIS 82 HB1 HIS 82 16.765 -5.486 17.268 679 HD1 HIS 82 HD1 HIS 82 18.631 -3.969 16.578 680 HD2 HIS 82 HD2 HIS 82 15.367 -1.877 18.101 681 HE1 HIS 82 HE1 HIS 82 19.382 -1.579 16.767 682 HE2 HIS 82 HE2 HIS 82 17.344 -0.305 17.513 683 H HIS 83 HN HIS 83 12.713 -5.787 16.712 684 HA HIS 83 HA HIS 83 11.400 -3.166 16.687 685 1HB HIS 83 HB2 HIS 83 10.373 -5.078 15.439 686 2HB HIS 83 HB1 HIS 83 10.170 -5.924 16.969 687 HD1 HIS 83 HD1 HIS 83 7.662 -5.969 17.074 688 HD2 HIS 83 HD2 HIS 83 9.165 -2.145 16.407 689 HE1 HIS 83 HE1 HIS 83 5.694 -4.419 17.288 690 HE2 HIS 83 HE2 HIS 83 6.653 -2.102 17.031 691 H HIS 84 HN HIS 84 12.728 -5.482 18.755 692 HA HIS 84 HA HIS 84 11.445 -4.265 21.107 693 1HB HIS 84 HB2 HIS 84 13.138 -6.770 20.889 694 2HB HIS 84 HB1 HIS 84 12.435 -6.149 22.377 695 HD1 HIS 84 HD1 HIS 84 11.799 -8.981 21.281 696 HD2 HIS 84 HD2 HIS 84 9.457 -5.600 20.648 697 HE1 HIS 84 HE1 HIS 84 9.489 -9.841 20.760 698 HE2 HIS 84 HE2 HIS 84 8.122 -7.782 20.251 699 H HIS 85 HN HIS 85 13.347 -4.513 23.006 700 HA HIS 85 HA HIS 85 15.566 -2.895 21.946 701 1HB HIS 85 HB2 HIS 85 14.141 -1.596 23.448 702 2HB HIS 85 HB1 HIS 85 14.315 -2.821 24.703 703 HD1 HIS 85 HD1 HIS 85 16.244 -2.564 26.270 704 HD2 HIS 85 HD2 HIS 85 16.652 -0.207 22.866 705 HE1 HIS 85 HE1 HIS 85 18.263 -1.119 26.680 706 HE2 HIS 85 HE2 HIS 85 18.591 0.169 24.540 Start of MODEL 17 1 1H MET 1 HT1 MET 1 -23.645 -0.555 11.192 2 2H MET 1 HT2 MET 1 -24.854 -1.505 10.489 3 3H MET 1 HT3 MET 1 -25.082 0.169 10.643 4 HA MET 1 HA MET 1 -24.554 -0.314 8.385 5 1HB MET 1 HB2 MET 1 -22.160 0.839 9.840 6 2HB MET 1 HB1 MET 1 -22.485 1.014 8.122 7 1HG MET 1 HG2 MET 1 -24.541 2.234 8.646 8 2HG MET 1 HG1 MET 1 -24.183 2.085 10.365 9 1HE MET 1 HE1 MET 1 -21.642 4.515 7.376 10 2HE MET 1 HE2 MET 1 -23.160 3.728 6.953 11 3HE MET 1 HE3 MET 1 -21.743 2.754 7.349 12 H HIS 2 HN HIS 2 -22.779 -0.990 6.860 13 HA HIS 2 HA HIS 2 -21.108 -3.150 7.927 14 1HB HIS 2 HB2 HIS 2 -23.285 -4.120 7.095 15 2HB HIS 2 HB1 HIS 2 -22.866 -3.526 5.493 16 HD1 HIS 2 HD1 HIS 2 -22.070 -6.195 7.958 17 HD2 HIS 2 HD2 HIS 2 -20.816 -4.971 4.185 18 HE1 HIS 2 HE1 HIS 2 -20.709 -8.106 7.044 19 HE2 HIS 2 HE2 HIS 2 -19.974 -7.360 4.747 20 H LYS 3 HN LYS 3 -19.445 -1.598 7.562 21 HA LYS 3 HA LYS 3 -18.572 -1.580 4.756 22 1HB LYS 3 HB2 LYS 3 -18.325 0.723 6.707 23 2HB LYS 3 HB1 LYS 3 -17.526 0.651 5.143 24 1HG LYS 3 HG2 LYS 3 -19.796 0.451 4.097 25 2HG LYS 3 HG1 LYS 3 -20.480 0.784 5.688 26 1HD LYS 3 HD2 LYS 3 -19.307 2.930 5.746 27 2HD LYS 3 HD1 LYS 3 -18.609 2.596 4.160 28 1HE LYS 3 HE2 LYS 3 -20.926 2.441 3.253 29 2HE LYS 3 HE1 LYS 3 -21.527 2.955 4.826 30 1HZ LYS 3 HZ1 LYS 3 -21.368 4.790 3.258 31 2HZ LYS 3 HZ2 LYS 3 -19.701 4.533 3.090 32 3HZ LYS 3 HZ3 LYS 3 -20.338 5.030 4.584 33 H ASP 4 HN ASP 4 -16.500 -2.211 4.454 34 HA ASP 4 HA ASP 4 -15.093 -3.067 6.899 35 1HB ASP 4 HB2 ASP 4 -16.146 -4.746 5.123 36 2HB ASP 4 HB1 ASP 4 -14.635 -4.427 4.280 37 H ILE 5 HN ILE 5 -12.779 -3.066 6.837 38 HA ILE 5 HA ILE 5 -11.658 -0.826 5.449 39 HB ILE 5 HB ILE 5 -10.323 -2.984 7.095 40 1HG1 ILE 5 HG12 ILE 5 -11.919 -1.611 8.366 41 2HG1 ILE 5 HG11 ILE 5 -10.261 -1.312 8.877 42 1HG2 ILE 5 HG21 ILE 5 -8.409 -1.448 7.235 43 2HG2 ILE 5 HG22 ILE 5 -9.211 -0.368 6.093 44 3HG2 ILE 5 HG23 ILE 5 -8.720 -1.983 5.582 45 1HD1 ILE 5 HD11 ILE 5 -10.221 0.747 7.600 46 2HD1 ILE 5 HD12 ILE 5 -11.565 0.742 8.741 47 3HD1 ILE 5 HD13 ILE 5 -11.861 0.441 7.029 48 H PHE 6 HN PHE 6 -11.215 -0.934 3.315 49 HA PHE 6 HA PHE 6 -10.714 -3.322 1.903 50 1HB PHE 6 HB2 PHE 6 -11.481 -1.346 0.742 51 2HB PHE 6 HB1 PHE 6 -10.039 -0.457 1.211 52 HD1 PHE 6 HD1 PHE 6 -11.167 -3.405 -0.749 53 HD2 PHE 6 HD2 PHE 6 -8.189 -0.421 -0.186 54 HE1 PHE 6 HE1 PHE 6 -10.069 -4.114 -2.834 55 HE2 PHE 6 HE2 PHE 6 -7.086 -1.121 -2.269 56 HZ PHE 6 HZ PHE 6 -8.025 -2.970 -3.594 57 H THR 7 HN THR 7 -9.093 -4.601 2.543 58 HA THR 7 HA THR 7 -6.401 -3.430 2.731 59 HB THR 7 HB THR 7 -5.799 -5.605 3.862 60 HG1 THR 7 HG1 THR 7 -7.833 -6.620 2.997 61 1HG2 THR 7 HG21 THR 7 -6.209 -3.588 5.170 62 2HG2 THR 7 HG22 THR 7 -6.822 -5.007 6.019 63 3HG2 THR 7 HG23 THR 7 -7.939 -3.928 5.182 64 H SER 8 HN SER 8 -5.078 -3.817 1.058 65 HA SER 8 HA SER 8 -5.426 -6.242 -0.544 66 1HB SER 8 HB2 SER 8 -6.806 -4.394 -1.561 67 2HB SER 8 HB1 SER 8 -5.315 -3.487 -1.797 68 HG SER 8 HG SER 8 -5.892 -4.638 -3.670 69 H VAL 9 HN VAL 9 -3.627 -5.638 -2.560 70 HA VAL 9 HA VAL 9 -1.145 -4.904 -1.163 71 HB VAL 9 HB VAL 9 -1.442 -7.314 -2.978 72 1HG1 VAL 9 HG11 VAL 9 0.951 -6.326 -1.434 73 2HG1 VAL 9 HG12 VAL 9 0.732 -6.199 -3.179 74 3HG1 VAL 9 HG13 VAL 9 0.878 -7.785 -2.420 75 1HG2 VAL 9 HG21 VAL 9 -0.897 -8.634 -0.963 76 2HG2 VAL 9 HG22 VAL 9 -2.430 -7.775 -0.817 77 3HG2 VAL 9 HG23 VAL 9 -0.994 -7.161 0.001 78 H VAL 10 HN VAL 10 0.076 -3.518 -2.314 79 HA VAL 10 HA VAL 10 -0.598 -3.166 -5.162 80 HB VAL 10 HB VAL 10 -1.072 -1.199 -3.694 81 1HG1 VAL 10 HG11 VAL 10 0.728 -1.440 -2.097 82 2HG1 VAL 10 HG12 VAL 10 0.804 0.144 -2.866 83 3HG1 VAL 10 HG13 VAL 10 1.921 -1.128 -3.359 84 1HG2 VAL 10 HG21 VAL 10 -0.679 -0.875 -6.068 85 2HG2 VAL 10 HG22 VAL 10 1.058 -0.772 -5.786 86 3HG2 VAL 10 HG23 VAL 10 -0.015 0.472 -5.145 87 H ARG 11 HN ARG 11 1.165 -2.720 -6.618 88 HA ARG 11 HA ARG 11 3.515 -4.269 -5.860 89 1HB ARG 11 HB2 ARG 11 2.751 -3.246 -8.602 90 2HB ARG 11 HB1 ARG 11 3.927 -4.500 -8.221 91 1HG ARG 11 HG2 ARG 11 2.115 -5.901 -7.322 92 2HG ARG 11 HG1 ARG 11 0.953 -4.656 -7.768 93 1HD ARG 11 HD2 ARG 11 1.758 -4.918 -10.142 94 2HD ARG 11 HD1 ARG 11 2.653 -6.338 -9.594 95 HE ARG 11 HE ARG 11 -0.271 -6.042 -9.672 96 1HH1 ARG 11 HH11 ARG 11 2.561 -8.061 -9.260 97 2HH1 ARG 11 HH12 ARG 11 1.663 -9.547 -9.211 98 1HH2 ARG 11 HH21 ARG 11 -1.461 -7.985 -9.656 99 2HH2 ARG 11 HH22 ARG 11 -0.636 -9.500 -9.447 100 H VAL 12 HN VAL 12 5.563 -3.479 -5.795 101 HA VAL 12 HA VAL 12 5.729 -0.533 -5.830 102 HB VAL 12 HB VAL 12 7.357 -2.227 -3.966 103 1HG1 VAL 12 HG11 VAL 12 6.337 0.603 -3.797 104 2HG1 VAL 12 HG12 VAL 12 7.971 0.115 -4.251 105 3HG1 VAL 12 HG13 VAL 12 7.377 -0.198 -2.619 106 1HG2 VAL 12 HG21 VAL 12 5.655 -1.917 -2.231 107 2HG2 VAL 12 HG22 VAL 12 5.065 -2.906 -3.567 108 3HG2 VAL 12 HG23 VAL 12 4.570 -1.218 -3.432 109 H ARG 13 HN ARG 13 7.345 0.359 -6.896 110 HA ARG 13 HA ARG 13 9.608 -1.304 -7.778 111 1HB ARG 13 HB2 ARG 13 8.625 1.356 -8.846 112 2HB ARG 13 HB1 ARG 13 10.007 0.465 -9.461 113 1HG ARG 13 HG2 ARG 13 8.456 -1.390 -10.059 114 2HG ARG 13 HG1 ARG 13 7.113 -0.335 -9.598 115 1HD ARG 13 HD2 ARG 13 7.899 1.331 -11.239 116 2HD ARG 13 HD1 ARG 13 9.179 0.221 -11.725 117 HE ARG 13 HE ARG 13 6.336 0.001 -12.325 118 1HH1 ARG 13 HH11 ARG 13 9.547 -1.404 -12.498 119 2HH1 ARG 13 HH12 ARG 13 9.118 -2.526 -13.755 120 1HH2 ARG 13 HH21 ARG 13 5.792 -1.463 -14.000 121 2HH2 ARG 13 HH22 ARG 13 6.995 -2.561 -14.602 122 H GLY 14 HN GLY 14 11.654 0.228 -8.071 123 1HA GLY 14 HA2 GLY 14 12.804 2.195 -7.388 124 2HA GLY 14 HA1 GLY 14 11.672 2.367 -6.059 125 H SER 15 HN SER 15 13.566 2.729 -4.768 126 HA SER 15 HA SER 15 15.508 0.645 -4.444 127 1HB SER 15 HB2 SER 15 15.091 3.064 -2.680 128 2HB SER 15 HB1 SER 15 16.570 2.127 -2.887 129 HG SER 15 HG SER 15 16.808 2.935 -4.935 130 H LYS 16 HN LYS 16 13.856 -1.008 -3.913 131 HA LYS 16 HA LYS 16 13.761 -1.288 -1.031 132 1HB LYS 16 HB2 LYS 16 11.283 -2.261 -1.546 133 2HB LYS 16 HB1 LYS 16 11.605 -0.655 -0.921 134 1HG LYS 16 HG2 LYS 16 10.252 -0.040 -2.604 135 2HG LYS 16 HG1 LYS 16 11.735 -0.137 -3.548 136 1HD LYS 16 HD2 LYS 16 9.870 -2.477 -3.249 137 2HD LYS 16 HD1 LYS 16 9.652 -1.259 -4.505 138 1HE LYS 16 HE2 LYS 16 11.951 -1.743 -5.300 139 2HE LYS 16 HE1 LYS 16 12.060 -3.027 -4.092 140 1HZ LYS 16 HZ1 LYS 16 10.386 -4.249 -5.166 141 2HZ LYS 16 HZ2 LYS 16 11.444 -3.745 -6.389 142 3HZ LYS 16 HZ3 LYS 16 9.954 -2.961 -6.177 143 H LYS 17 HN LYS 17 13.015 -3.551 -0.422 144 HA LYS 17 HA LYS 17 14.491 -5.359 -2.149 145 1HB LYS 17 HB2 LYS 17 14.622 -5.124 0.466 146 2HB LYS 17 HB1 LYS 17 13.239 -6.209 0.430 147 1HG LYS 17 HG2 LYS 17 14.577 -7.813 -0.883 148 2HG LYS 17 HG1 LYS 17 15.967 -6.736 -0.726 149 1HD LYS 17 HD2 LYS 17 15.638 -6.908 1.781 150 2HD LYS 17 HD1 LYS 17 14.512 -8.224 1.445 151 1HE LYS 17 HE2 LYS 17 16.637 -9.200 1.914 152 2HE LYS 17 HE1 LYS 17 16.342 -9.364 0.183 153 1HZ LYS 17 HZ1 LYS 17 17.929 -7.133 1.313 154 2HZ LYS 17 HZ2 LYS 17 17.868 -7.659 -0.301 155 3HZ LYS 17 HZ3 LYS 17 18.635 -8.607 0.875 156 H TYR 18 HN TYR 18 11.252 -5.138 -0.707 157 HA TYR 18 HA TYR 18 10.354 -7.487 -2.132 158 1HB TYR 18 HB2 TYR 18 8.865 -5.533 -0.370 159 2HB TYR 18 HB1 TYR 18 8.136 -6.959 -1.098 160 HD1 TYR 18 HD1 TYR 18 9.188 -9.243 -0.493 161 HD2 TYR 18 HD2 TYR 18 9.884 -5.673 1.707 162 HE1 TYR 18 HE1 TYR 18 9.863 -10.582 1.454 163 HE2 TYR 18 HE2 TYR 18 10.571 -7.003 3.658 164 HH TYR 18 HH TYR 18 11.276 -10.296 3.490 165 H ASN 19 HN ASN 19 8.510 -7.467 -3.581 166 HA ASN 19 HA ASN 19 8.565 -5.059 -5.265 167 1HB ASN 19 HB2 ASN 19 7.942 -6.434 -7.120 168 2HB ASN 19 HB1 ASN 19 9.231 -7.275 -6.268 169 1HD2 ASN 19 HD21 ASN 19 8.728 -9.141 -5.079 170 2HD2 ASN 19 HD22 ASN 19 7.272 -10.027 -5.367 171 H VAL 20 HN VAL 20 6.698 -6.400 -2.923 172 HA VAL 20 HA VAL 20 4.340 -4.940 -3.836 173 HB VAL 20 HB VAL 20 2.861 -6.815 -2.973 174 1HG1 VAL 20 HG11 VAL 20 3.097 -6.304 -5.352 175 2HG1 VAL 20 HG12 VAL 20 2.882 -8.032 -5.074 176 3HG1 VAL 20 HG13 VAL 20 4.482 -7.391 -5.447 177 1HG2 VAL 20 HG21 VAL 20 4.568 -8.086 -1.781 178 2HG2 VAL 20 HG22 VAL 20 5.395 -8.423 -3.304 179 3HG2 VAL 20 HG23 VAL 20 3.785 -9.083 -3.008 180 H VAL 21 HN VAL 21 3.126 -4.039 -2.201 181 HA VAL 21 HA VAL 21 3.804 -4.799 0.553 182 HB VAL 21 HB VAL 21 5.005 -2.699 0.031 183 1HG1 VAL 21 HG11 VAL 21 3.486 -1.755 -1.616 184 2HG1 VAL 21 HG12 VAL 21 3.772 -0.616 -0.301 185 3HG1 VAL 21 HG13 VAL 21 2.259 -1.522 -0.371 186 1HG2 VAL 21 HG21 VAL 21 2.757 -2.439 2.020 187 2HG2 VAL 21 HG22 VAL 21 4.175 -1.391 1.954 188 3HG2 VAL 21 HG23 VAL 21 4.364 -3.108 2.311 189 HA PRO 22 HA PRO 22 -0.655 -5.039 0.804 190 1HB PRO 22 HB2 PRO 22 -0.768 -5.423 3.508 191 2HB PRO 22 HB1 PRO 22 -0.422 -6.709 2.348 192 1HG PRO 22 HG2 PRO 22 1.463 -5.123 4.037 193 2HG PRO 22 HG1 PRO 22 1.489 -6.853 3.651 194 1HD PRO 22 HD2 PRO 22 3.099 -5.063 2.420 195 2HD PRO 22 HD1 PRO 22 2.475 -6.508 1.598 196 H VAL 23 HN VAL 23 -2.033 -3.429 0.886 197 HA VAL 23 HA VAL 23 -1.479 -1.133 2.643 198 HB VAL 23 HB VAL 23 -2.731 0.256 1.026 199 1HG1 VAL 23 HG11 VAL 23 -0.409 -1.245 -0.182 200 2HG1 VAL 23 HG12 VAL 23 -0.302 0.152 0.887 201 3HG1 VAL 23 HG13 VAL 23 -1.011 0.323 -0.717 202 1HG2 VAL 23 HG21 VAL 23 -3.218 -0.636 -1.211 203 2HG2 VAL 23 HG22 VAL 23 -4.136 -1.467 0.045 204 3HG2 VAL 23 HG23 VAL 23 -2.721 -2.240 -0.670 205 H LYS 24 HN LYS 24 -3.421 0.058 3.319 206 HA LYS 24 HA LYS 24 -5.850 -1.568 3.486 207 1HB LYS 24 HB2 LYS 24 -5.996 -1.032 5.932 208 2HB LYS 24 HB1 LYS 24 -4.686 -2.130 5.516 209 1HG LYS 24 HG2 LYS 24 -3.095 -0.279 5.614 210 2HG LYS 24 HG1 LYS 24 -4.406 0.825 6.028 211 1HD LYS 24 HD2 LYS 24 -3.659 -1.587 7.671 212 2HD LYS 24 HD1 LYS 24 -3.036 0.036 7.967 213 1HE LYS 24 HE2 LYS 24 -5.348 0.838 8.263 214 2HE LYS 24 HE1 LYS 24 -5.930 -0.811 8.038 215 1HZ LYS 24 HZ1 LYS 24 -5.750 -0.219 10.381 216 2HZ LYS 24 HZ2 LYS 24 -4.089 0.077 10.195 217 3HZ LYS 24 HZ3 LYS 24 -4.700 -1.490 9.986 218 H SER 25 HN SER 25 -7.555 -0.164 4.745 219 HA SER 25 HA SER 25 -7.415 2.567 3.650 220 1HB SER 25 HB2 SER 25 -9.856 0.997 4.515 221 2HB SER 25 HB1 SER 25 -9.840 2.543 3.664 222 HG SER 25 HG SER 25 -8.498 0.360 2.529 223 H ASN 26 HN ASN 26 -7.512 4.280 4.999 224 HA ASN 26 HA ASN 26 -7.207 3.842 7.805 225 1HB ASN 26 HB2 ASN 26 -7.040 6.270 7.983 226 2HB ASN 26 HB1 ASN 26 -6.049 5.679 6.656 227 1HD2 ASN 26 HD21 ASN 26 -6.922 8.324 6.994 228 2HD2 ASN 26 HD22 ASN 26 -7.884 8.735 5.620 229 H LYS 27 HN LYS 27 -9.857 4.461 5.723 230 HA LYS 27 HA LYS 27 -11.643 4.413 8.054 231 1HB LYS 27 HB2 LYS 27 -11.887 6.199 5.625 232 2HB LYS 27 HB1 LYS 27 -13.213 5.903 6.741 233 1HG LYS 27 HG2 LYS 27 -11.841 6.822 8.573 234 2HG LYS 27 HG1 LYS 27 -10.568 7.183 7.406 235 1HD LYS 27 HD2 LYS 27 -13.376 8.251 7.195 236 2HD LYS 27 HD1 LYS 27 -12.070 9.108 8.010 237 1HE LYS 27 HE2 LYS 27 -12.022 8.233 5.125 238 2HE LYS 27 HE1 LYS 27 -12.439 9.856 5.673 239 1HZ LYS 27 HZ1 LYS 27 -10.149 9.788 4.996 240 2HZ LYS 27 HZ2 LYS 27 -9.829 8.492 6.034 241 3HZ LYS 27 HZ3 LYS 27 -10.216 10.010 6.679 242 HA PRO 28 HA PRO 28 -13.409 0.916 6.112 243 1HB PRO 28 HB2 PRO 28 -16.064 1.801 7.051 244 2HB PRO 28 HB1 PRO 28 -15.154 0.345 7.460 245 1HG PRO 28 HG2 PRO 28 -15.456 2.348 9.216 246 2HG PRO 28 HG1 PRO 28 -13.960 1.399 9.133 247 1HD PRO 28 HD2 PRO 28 -14.531 4.135 8.062 248 2HD PRO 28 HD1 PRO 28 -13.068 3.518 8.858 249 H VAL 29 HN VAL 29 -14.210 0.366 4.183 250 HA VAL 29 HA VAL 29 -15.663 2.433 2.666 251 HB VAL 29 HB VAL 29 -14.684 1.489 0.626 252 1HG1 VAL 29 HG11 VAL 29 -13.512 3.320 1.730 253 2HG1 VAL 29 HG12 VAL 29 -12.379 2.227 0.936 254 3HG1 VAL 29 HG13 VAL 29 -12.590 2.159 2.687 255 1HG2 VAL 29 HG21 VAL 29 -14.441 -0.821 1.409 256 2HG2 VAL 29 HG22 VAL 29 -13.103 -0.315 2.442 257 3HG2 VAL 29 HG23 VAL 29 -12.958 -0.196 0.689 258 H GLU 30 HN GLU 30 -17.186 1.603 1.036 259 HA GLU 30 HA GLU 30 -18.838 -0.467 2.064 260 1HB GLU 30 HB2 GLU 30 -18.871 0.792 -0.687 261 2HB GLU 30 HB1 GLU 30 -20.162 -0.164 0.026 262 1HG GLU 30 HG2 GLU 30 -20.421 1.530 1.782 263 2HG GLU 30 HG1 GLU 30 -19.169 2.500 1.008 264 H ILE 31 HN ILE 31 -19.064 -2.579 1.421 265 HA ILE 31 HA ILE 31 -16.776 -3.901 0.505 266 HB ILE 31 HB ILE 31 -18.221 -5.919 0.312 267 1HG1 ILE 31 HG12 ILE 31 -20.426 -4.026 1.171 268 2HG1 ILE 31 HG11 ILE 31 -20.287 -4.766 -0.420 269 1HG2 ILE 31 HG21 ILE 31 -18.748 -6.038 2.709 270 2HG2 ILE 31 HG22 ILE 31 -18.508 -4.294 2.836 271 3HG2 ILE 31 HG23 ILE 31 -17.156 -5.342 2.409 272 1HD1 ILE 31 HD11 ILE 31 -20.577 -6.968 0.569 273 2HD1 ILE 31 HD12 ILE 31 -21.925 -5.905 0.969 274 3HD1 ILE 31 HD13 ILE 31 -20.681 -6.241 2.173 275 H SER 32 HN SER 32 -19.469 -2.582 -1.240 276 HA SER 32 HA SER 32 -19.049 -4.048 -3.650 277 1HB SER 32 HB2 SER 32 -20.463 -1.394 -3.343 278 2HB SER 32 HB1 SER 32 -20.718 -2.614 -4.592 279 HG SER 32 HG SER 32 -22.305 -2.604 -2.856 280 H LYS 33 HN LYS 33 -17.454 -1.396 -2.191 281 HA LYS 33 HA LYS 33 -16.570 -0.268 -4.726 282 1HB LYS 33 HB2 LYS 33 -16.048 0.560 -1.870 283 2HB LYS 33 HB1 LYS 33 -15.358 1.377 -3.267 284 1HG LYS 33 HG2 LYS 33 -17.744 1.709 -4.062 285 2HG LYS 33 HG1 LYS 33 -18.239 1.205 -2.445 286 1HD LYS 33 HD2 LYS 33 -16.963 3.026 -1.461 287 2HD LYS 33 HD1 LYS 33 -16.382 3.504 -3.059 288 1HE LYS 33 HE2 LYS 33 -19.243 3.537 -2.103 289 2HE LYS 33 HE1 LYS 33 -18.208 4.941 -2.355 290 1HZ LYS 33 HZ1 LYS 33 -19.785 4.505 -4.191 291 2HZ LYS 33 HZ2 LYS 33 -18.981 3.047 -4.508 292 3HZ LYS 33 HZ3 LYS 33 -18.164 4.520 -4.689 293 H TRP 34 HN TRP 34 -15.632 -2.765 -2.763 294 HA TRP 34 HA TRP 34 -12.845 -2.551 -2.665 295 1HB TRP 34 HB2 TRP 34 -14.728 -4.887 -2.700 296 2HB TRP 34 HB1 TRP 34 -12.988 -5.150 -2.749 297 HD1 TRP 34 HD1 TRP 34 -15.146 -2.767 -0.542 298 HE1 TRP 34 HE1 TRP 34 -14.466 -3.151 1.912 299 HE3 TRP 34 HE3 TRP 34 -11.714 -6.490 -1.229 300 HZ2 TRP 34 HZ2 TRP 34 -12.718 -4.825 3.361 301 HZ3 TRP 34 HZ3 TRP 34 -10.585 -7.433 0.742 302 HH2 TRP 34 HH2 TRP 34 -11.077 -6.617 2.989 303 H ILE 35 HN ILE 35 -14.995 -3.477 -5.248 304 HA ILE 35 HA ILE 35 -13.036 -4.518 -7.011 305 HB ILE 35 HB ILE 35 -15.689 -3.224 -7.676 306 1HG1 ILE 35 HG12 ILE 35 -14.993 -6.147 -7.308 307 2HG1 ILE 35 HG11 ILE 35 -15.838 -5.161 -6.121 308 1HG2 ILE 35 HG21 ILE 35 -14.213 -3.338 -9.609 309 2HG2 ILE 35 HG22 ILE 35 -15.535 -4.491 -9.775 310 3HG2 ILE 35 HG23 ILE 35 -13.930 -5.053 -9.310 311 1HD1 ILE 35 HD11 ILE 35 -16.821 -5.856 -8.878 312 2HD1 ILE 35 HD12 ILE 35 -17.667 -4.832 -7.718 313 3HD1 ILE 35 HD13 ILE 35 -17.394 -6.536 -7.355 314 H ASP 36 HN ASP 36 -14.535 -1.316 -6.680 315 HA ASP 36 HA ASP 36 -13.294 -0.021 -8.809 316 1HB ASP 36 HB2 ASP 36 -14.044 1.189 -6.135 317 2HB ASP 36 HB1 ASP 36 -13.793 2.071 -7.635 318 H PHE 37 HN PHE 37 -12.311 -0.194 -5.408 319 HA PHE 37 HA PHE 37 -9.946 1.291 -5.694 320 1HB PHE 37 HB2 PHE 37 -10.892 -0.691 -3.643 321 2HB PHE 37 HB1 PHE 37 -9.293 0.034 -3.538 322 HD1 PHE 37 HD1 PHE 37 -12.895 0.963 -3.829 323 HD2 PHE 37 HD2 PHE 37 -9.018 2.043 -2.444 324 HE1 PHE 37 HE1 PHE 37 -13.849 2.921 -2.690 325 HE2 PHE 37 HE2 PHE 37 -9.971 4.002 -1.303 326 HZ PHE 37 HZ PHE 37 -12.389 4.444 -1.424 327 H SER 38 HN SER 38 -10.585 -2.167 -6.041 328 HA SER 38 HA SER 38 -7.900 -3.000 -6.203 329 1HB SER 38 HB2 SER 38 -10.411 -4.216 -7.371 330 2HB SER 38 HB1 SER 38 -8.833 -5.007 -7.383 331 HG SER 38 HG SER 38 -10.518 -4.404 -5.205 332 H ASN 39 HN ASN 39 -10.183 -1.933 -8.693 333 HA ASN 39 HA ASN 39 -8.519 -2.382 -10.919 334 1HB ASN 39 HB2 ASN 39 -10.813 -0.486 -10.435 335 2HB ASN 39 HB1 ASN 39 -9.962 -0.532 -11.974 336 1HD2 ASN 39 HD21 ASN 39 -11.856 -1.169 -13.013 337 2HD2 ASN 39 HD22 ASN 39 -12.469 -2.783 -12.895 338 H VAL 40 HN VAL 40 -8.781 0.296 -8.680 339 HA VAL 40 HA VAL 40 -7.078 2.077 -10.097 340 HB VAL 40 HB VAL 40 -7.738 2.005 -7.143 341 1HG1 VAL 40 HG11 VAL 40 -7.130 4.371 -7.140 342 2HG1 VAL 40 HG12 VAL 40 -6.632 4.246 -8.828 343 3HG1 VAL 40 HG13 VAL 40 -5.757 3.354 -7.584 344 1HG2 VAL 40 HG21 VAL 40 -9.418 3.693 -7.681 345 2HG2 VAL 40 HG22 VAL 40 -9.724 2.185 -8.542 346 3HG2 VAL 40 HG23 VAL 40 -9.010 3.555 -9.392 347 H LEU 41 HN LEU 41 -6.545 -0.128 -7.361 348 HA LEU 41 HA LEU 41 -3.812 0.451 -7.014 349 1HB LEU 41 HB2 LEU 41 -5.681 -1.648 -6.102 350 2HB LEU 41 HB1 LEU 41 -3.973 -2.051 -6.051 351 HG LEU 41 HG LEU 41 -3.573 -0.033 -4.697 352 1HD1 LEU 41 HD11 LEU 41 -5.448 1.332 -5.374 353 2HD1 LEU 41 HD12 LEU 41 -5.470 1.096 -3.626 354 3HD1 LEU 41 HD13 LEU 41 -6.575 0.181 -4.652 355 1HD2 LEU 41 HD21 LEU 41 -4.489 -0.925 -2.629 356 2HD2 LEU 41 HD22 LEU 41 -3.866 -2.218 -3.655 357 3HD2 LEU 41 HD23 LEU 41 -5.604 -1.935 -3.550 358 H SER 42 HN SER 42 -5.457 -1.997 -8.916 359 HA SER 42 HA SER 42 -3.152 -3.410 -9.732 360 1HB SER 42 HB2 SER 42 -5.810 -3.158 -11.151 361 2HB SER 42 HB1 SER 42 -4.583 -4.384 -11.469 362 HG SER 42 HG SER 42 -6.180 -4.029 -9.161 363 H ARG 43 HN ARG 43 -4.225 -0.330 -10.561 364 HA ARG 43 HA ARG 43 -2.719 -0.323 -13.088 365 1HB ARG 43 HB2 ARG 43 -5.071 0.516 -13.114 366 2HB ARG 43 HB1 ARG 43 -4.610 1.757 -11.960 367 1HG ARG 43 HG2 ARG 43 -4.717 2.689 -14.172 368 2HG ARG 43 HG1 ARG 43 -3.045 2.685 -13.608 369 1HD ARG 43 HD2 ARG 43 -3.211 1.977 -15.947 370 2HD ARG 43 HD1 ARG 43 -2.587 0.689 -14.919 371 HE ARG 43 HE ARG 43 -5.221 0.147 -14.985 372 1HH1 ARG 43 HH11 ARG 43 -2.919 0.862 -17.523 373 2HH1 ARG 43 HH12 ARG 43 -3.699 -0.169 -18.691 374 1HH2 ARG 43 HH21 ARG 43 -6.256 -1.191 -16.500 375 2HH2 ARG 43 HH22 ARG 43 -5.610 -1.334 -18.111 376 H LEU 44 HN LEU 44 -2.348 0.296 -9.860 377 HA LEU 44 HA LEU 44 -0.779 2.744 -10.192 378 1HB LEU 44 HB2 LEU 44 -2.551 2.766 -8.507 379 2HB LEU 44 HB1 LEU 44 -1.819 1.389 -7.706 380 HG LEU 44 HG LEU 44 0.212 2.820 -7.303 381 1HD1 LEU 44 HD11 LEU 44 -0.224 4.490 -9.043 382 2HD1 LEU 44 HD12 LEU 44 -0.037 5.229 -7.454 383 3HD1 LEU 44 HD13 LEU 44 -1.646 5.037 -8.153 384 1HD2 LEU 44 HD21 LEU 44 -2.404 3.718 -6.113 385 2HD2 LEU 44 HD22 LEU 44 -0.806 4.018 -5.429 386 3HD2 LEU 44 HD23 LEU 44 -1.413 2.369 -5.560 387 H TYR 45 HN TYR 45 1.333 2.623 -10.288 388 HA TYR 45 HA TYR 45 2.710 0.565 -8.707 389 1HB TYR 45 HB2 TYR 45 3.352 1.588 -11.467 390 2HB TYR 45 HB1 TYR 45 4.582 0.843 -10.450 391 HD1 TYR 45 HD1 TYR 45 1.306 0.212 -12.095 392 HD2 TYR 45 HD2 TYR 45 4.760 -1.490 -10.278 393 HE1 TYR 45 HE1 TYR 45 0.605 -2.016 -12.860 394 HE2 TYR 45 HE2 TYR 45 4.068 -3.722 -11.041 395 HH TYR 45 HH TYR 45 1.585 -4.195 -13.331 396 H VAL 46 HN VAL 46 3.776 1.451 -7.088 397 HA VAL 46 HA VAL 46 4.595 4.269 -7.313 398 HB VAL 46 HB VAL 46 4.689 4.252 -4.825 399 1HG1 VAL 46 HG11 VAL 46 2.266 4.280 -4.475 400 2HG1 VAL 46 HG12 VAL 46 2.035 3.453 -6.016 401 3HG1 VAL 46 HG13 VAL 46 2.712 5.082 -5.982 402 1HG2 VAL 46 HG21 VAL 46 3.480 1.502 -5.129 403 2HG2 VAL 46 HG22 VAL 46 3.590 2.404 -3.618 404 3HG2 VAL 46 HG23 VAL 46 5.059 1.885 -4.444 405 H GLY 47 HN GLY 47 6.529 4.606 -5.539 406 1HA GLY 47 HA2 GLY 47 8.477 2.444 -5.814 407 2HA GLY 47 HA1 GLY 47 8.856 3.948 -6.621 408 H VAL 48 HN VAL 48 7.410 3.304 -3.479 409 HA VAL 48 HA VAL 48 9.712 4.621 -2.212 410 HB VAL 48 HB VAL 48 6.821 5.114 -1.453 411 1HG1 VAL 48 HG11 VAL 48 7.739 6.779 0.094 412 2HG1 VAL 48 HG12 VAL 48 9.372 6.288 -0.355 413 3HG1 VAL 48 HG13 VAL 48 8.306 5.152 0.473 414 1HG2 VAL 48 HG21 VAL 48 8.811 6.977 -2.747 415 2HG2 VAL 48 HG22 VAL 48 7.176 7.397 -2.235 416 3HG2 VAL 48 HG23 VAL 48 7.421 6.240 -3.544 417 HA PRO 49 HA PRO 49 9.312 0.939 0.378 418 1HB PRO 49 HB2 PRO 49 11.616 1.345 1.751 419 2HB PRO 49 HB1 PRO 49 11.581 0.635 0.133 420 1HG PRO 49 HG2 PRO 49 12.225 3.429 0.963 421 2HG PRO 49 HG1 PRO 49 12.986 2.425 -0.283 422 1HD PRO 49 HD2 PRO 49 11.159 4.387 -0.824 423 2HD PRO 49 HD1 PRO 49 11.410 2.965 -1.853 424 H THR 50 HN THR 50 7.597 1.512 1.659 425 HA THR 50 HA THR 50 7.863 3.722 3.548 426 HB THR 50 HB THR 50 5.376 3.266 3.851 427 HG1 THR 50 HG1 THR 50 5.571 1.094 2.907 428 1HG2 THR 50 HG21 THR 50 6.181 5.108 2.474 429 2HG2 THR 50 HG22 THR 50 4.788 4.345 1.707 430 3HG2 THR 50 HG23 THR 50 6.414 4.013 1.110 431 H LYS 51 HN LYS 51 6.787 3.460 5.680 432 HA LYS 51 HA LYS 51 7.333 0.857 6.907 433 1HB LYS 51 HB2 LYS 51 6.665 3.536 8.133 434 2HB LYS 51 HB1 LYS 51 6.989 2.068 9.044 435 1HG LYS 51 HG2 LYS 51 9.258 2.011 8.098 436 2HG LYS 51 HG1 LYS 51 8.924 3.528 7.257 437 1HD LYS 51 HD2 LYS 51 8.485 4.603 9.433 438 2HD LYS 51 HD1 LYS 51 8.901 3.092 10.243 439 1HE LYS 51 HE2 LYS 51 10.803 4.549 10.311 440 2HE LYS 51 HE1 LYS 51 11.151 3.218 9.209 441 1HZ LYS 51 HZ1 LYS 51 11.867 5.330 8.297 442 2HZ LYS 51 HZ2 LYS 51 10.295 5.951 8.411 443 3HZ LYS 51 HZ3 LYS 51 10.626 4.673 7.351 444 H SER 52 HN SER 52 5.453 1.419 9.062 445 HA SER 52 HA SER 52 2.992 0.587 7.750 446 1HB SER 52 HB2 SER 52 2.302 0.417 10.291 447 2HB SER 52 HB1 SER 52 3.346 -0.801 9.561 448 HG SER 52 HG SER 52 3.903 1.091 11.490 449 H GLY 53 HN GLY 53 1.506 2.029 7.188 450 1HA GLY 53 HA2 GLY 53 -0.149 3.631 7.737 451 2HA GLY 53 HA1 GLY 53 0.878 4.209 9.042 452 H ASN 54 HN ASN 54 1.172 3.828 5.505 453 HA ASN 54 HA ASN 54 2.016 6.651 5.380 454 1HB ASN 54 HB2 ASN 54 3.209 4.359 3.803 455 2HB ASN 54 HB1 ASN 54 3.633 6.061 3.618 456 1HD2 ASN 54 HD21 ASN 54 3.727 3.310 5.735 457 2HD2 ASN 54 HD22 ASN 54 4.970 3.895 6.783 458 H VAL 55 HN VAL 55 0.998 7.849 3.870 459 HA VAL 55 HA VAL 55 -1.290 6.607 2.641 460 HB VAL 55 HB VAL 55 -0.373 9.485 2.482 461 1HG1 VAL 55 HG11 VAL 55 -3.045 8.226 1.881 462 2HG1 VAL 55 HG12 VAL 55 -1.914 8.892 0.702 463 3HG1 VAL 55 HG13 VAL 55 -2.696 9.956 1.871 464 1HG2 VAL 55 HG21 VAL 55 -0.763 8.825 4.790 465 2HG2 VAL 55 HG22 VAL 55 -2.345 8.178 4.353 466 3HG2 VAL 55 HG23 VAL 55 -2.037 9.911 4.233 467 H VAL 56 HN VAL 56 -1.036 5.538 0.816 468 HA VAL 56 HA VAL 56 0.888 6.330 -1.202 469 HB VAL 56 HB VAL 56 -1.244 4.186 -1.333 470 1HG1 VAL 56 HG11 VAL 56 -0.396 4.873 -3.518 471 2HG1 VAL 56 HG12 VAL 56 0.121 3.236 -3.117 472 3HG1 VAL 56 HG13 VAL 56 1.256 4.578 -2.974 473 1HG2 VAL 56 HG21 VAL 56 0.276 3.788 0.537 474 2HG2 VAL 56 HG22 VAL 56 1.659 3.938 -0.548 475 3HG2 VAL 56 HG23 VAL 56 0.522 2.603 -0.745 476 H CYS 57 HN CYS 57 -2.620 6.233 -0.778 477 HA CYS 57 HA CYS 57 -2.862 8.214 -2.932 478 1HB CYS 57 HB2 CYS 57 -4.744 5.891 -2.457 479 2HB CYS 57 HB1 CYS 57 -4.990 7.181 -3.630 480 HG CYS 57 HG CYS 57 -2.069 6.034 -4.300 481 H LYS 58 HN LYS 58 -3.267 9.999 -1.819 482 HA LYS 58 HA LYS 58 -4.917 9.955 0.563 483 1HB LYS 58 HB2 LYS 58 -2.948 11.360 0.564 484 2HB LYS 58 HB1 LYS 58 -3.488 12.186 -0.888 485 1HG LYS 58 HG2 LYS 58 -5.240 13.277 0.277 486 2HG LYS 58 HG1 LYS 58 -5.010 12.262 1.701 487 1HD LYS 58 HD2 LYS 58 -4.076 14.575 1.907 488 2HD LYS 58 HD1 LYS 58 -2.905 13.284 2.179 489 1HE LYS 58 HE2 LYS 58 -2.087 13.546 -0.111 490 2HE LYS 58 HE1 LYS 58 -3.266 14.829 -0.387 491 1HZ LYS 58 HZ1 LYS 58 -1.187 14.966 1.724 492 2HZ LYS 58 HZ2 LYS 58 -2.174 16.223 1.155 493 3HZ LYS 58 HZ3 LYS 58 -0.965 15.582 0.159 494 H ASN 59 HN ASN 59 -6.984 10.432 0.684 495 HA ASN 59 HA ASN 59 -9.136 10.790 0.044 496 1HB ASN 59 HB2 ASN 59 -8.034 13.140 -0.042 497 2HB ASN 59 HB1 ASN 59 -8.149 12.959 -1.790 498 1HD2 ASN 59 HD21 ASN 59 -9.892 13.311 1.182 499 2HD2 ASN 59 HD22 ASN 59 -11.420 13.733 0.477 500 H ILE 60 HN ILE 60 -8.266 8.676 -1.204 501 HA ILE 60 HA ILE 60 -8.325 8.882 -4.064 502 HB ILE 60 HB ILE 60 -7.003 7.126 -3.004 503 1HG1 ILE 60 HG12 ILE 60 -9.326 5.986 -4.576 504 2HG1 ILE 60 HG11 ILE 60 -7.892 6.735 -5.268 505 1HG2 ILE 60 HG21 ILE 60 -8.314 6.704 -1.035 506 2HG2 ILE 60 HG22 ILE 60 -8.115 5.198 -1.931 507 3HG2 ILE 60 HG23 ILE 60 -9.643 6.074 -2.008 508 1HD1 ILE 60 HD11 ILE 60 -7.916 4.227 -3.603 509 2HD1 ILE 60 HD12 ILE 60 -6.505 4.962 -4.362 510 3HD1 ILE 60 HD13 ILE 60 -7.797 4.296 -5.361 511 H MET 61 HN MET 61 -9.987 8.603 -5.428 512 HA MET 61 HA MET 61 -12.070 8.307 -6.249 513 1HB MET 61 HB2 MET 61 -12.173 6.444 -3.899 514 2HB MET 61 HB1 MET 61 -13.607 6.731 -4.877 515 1HG MET 61 HG2 MET 61 -10.978 5.833 -6.023 516 2HG MET 61 HG1 MET 61 -12.246 4.718 -5.520 517 1HE MET 61 HE1 MET 61 -11.160 4.519 -8.442 518 2HE MET 61 HE2 MET 61 -12.656 4.458 -9.376 519 3HE MET 61 HE3 MET 61 -12.530 3.581 -7.851 520 H ASN 62 HN ASN 62 -11.357 10.206 -3.897 521 HA ASN 62 HA ASN 62 -12.289 12.066 -3.030 522 1HB ASN 62 HB2 ASN 62 -14.467 11.411 -5.015 523 2HB ASN 62 HB1 ASN 62 -14.429 12.890 -4.062 524 1HD2 ASN 62 HD21 ASN 62 -14.258 14.211 -5.846 525 2HD2 ASN 62 HD22 ASN 62 -12.812 14.308 -6.803 526 H THR 63 HN THR 63 -13.188 9.193 -2.114 527 HA THR 63 HA THR 63 -15.634 9.891 -0.717 528 HB THR 63 HB THR 63 -15.400 7.612 -1.586 529 HG1 THR 63 HG1 THR 63 -15.575 7.975 1.221 530 1HG2 THR 63 HG21 THR 63 -13.832 6.028 -0.572 531 2HG2 THR 63 HG22 THR 63 -13.143 7.327 0.401 532 3HG2 THR 63 HG23 THR 63 -12.977 7.357 -1.354 533 H GLY 64 HN GLY 64 -12.377 10.370 -0.235 534 1HA GLY 64 HA2 GLY 64 -11.567 11.650 1.579 535 2HA GLY 64 HA1 GLY 64 -12.874 11.026 2.574 536 H VAL 65 HN VAL 65 -11.996 8.303 1.255 537 HA VAL 65 HA VAL 65 -10.378 7.484 3.466 538 HB VAL 65 HB VAL 65 -11.194 6.018 0.944 539 1HG1 VAL 65 HG11 VAL 65 -9.085 5.098 1.743 540 2HG1 VAL 65 HG12 VAL 65 -10.408 3.973 2.051 541 3HG1 VAL 65 HG13 VAL 65 -9.753 4.945 3.369 542 1HG2 VAL 65 HG21 VAL 65 -12.675 4.790 2.452 543 2HG2 VAL 65 HG22 VAL 65 -13.020 6.521 2.482 544 3HG2 VAL 65 HG23 VAL 65 -12.116 5.776 3.804 545 H ASP 66 HN ASP 66 -8.264 7.110 3.571 546 HA ASP 66 HA ASP 66 -6.637 7.829 1.227 547 1HB ASP 66 HB2 ASP 66 -5.785 8.069 4.122 548 2HB ASP 66 HB1 ASP 66 -4.985 8.743 2.704 549 H ILE 67 HN ILE 67 -5.502 6.169 0.442 550 HA ILE 67 HA ILE 67 -5.582 3.644 1.842 551 HB ILE 67 HB ILE 67 -4.405 4.372 -0.845 552 1HG1 ILE 67 HG12 ILE 67 -6.828 4.541 -0.797 553 2HG1 ILE 67 HG11 ILE 67 -6.362 3.114 -1.715 554 1HG2 ILE 67 HG21 ILE 67 -3.221 2.461 0.084 555 2HG2 ILE 67 HG22 ILE 67 -4.256 1.953 -1.250 556 3HG2 ILE 67 HG23 ILE 67 -4.752 1.652 0.415 557 1HD1 ILE 67 HD11 ILE 67 -7.337 3.139 1.136 558 2HD1 ILE 67 HD12 ILE 67 -6.875 1.707 0.211 559 3HD1 ILE 67 HD13 ILE 67 -8.272 2.663 -0.284 560 H ILE 68 HN ILE 68 -4.121 3.049 3.260 561 HA ILE 68 HA ILE 68 -1.435 4.228 3.054 562 HB ILE 68 HB ILE 68 -1.274 3.920 5.528 563 1HG1 ILE 68 HG12 ILE 68 -4.257 3.454 5.319 564 2HG1 ILE 68 HG11 ILE 68 -3.062 2.236 5.762 565 1HG2 ILE 68 HG21 ILE 68 -3.480 5.733 4.574 566 2HG2 ILE 68 HG22 ILE 68 -1.753 6.088 4.524 567 3HG2 ILE 68 HG23 ILE 68 -2.572 5.903 6.077 568 1HD1 ILE 68 HD11 ILE 68 -2.490 3.519 7.749 569 2HD1 ILE 68 HD12 ILE 68 -4.205 3.112 7.717 570 3HD1 ILE 68 HD13 ILE 68 -3.674 4.744 7.301 571 H CYS 69 HN CYS 69 0.236 2.915 2.904 572 HA CYS 69 HA CYS 69 -0.111 0.044 3.054 573 1HB CYS 69 HB2 CYS 69 2.452 0.157 2.660 574 2HB CYS 69 HB1 CYS 69 1.387 0.684 1.363 575 HG CYS 69 HG CYS 69 3.847 2.277 2.042 576 H THR 70 HN THR 70 0.694 -1.304 4.701 577 HA THR 70 HA THR 70 1.624 0.174 7.076 578 HB THR 70 HB THR 70 -0.761 -0.357 7.301 579 HG1 THR 70 HG1 THR 70 1.069 -1.736 8.982 580 1HG2 THR 70 HG21 THR 70 0.097 -3.247 7.112 581 2HG2 THR 70 HG22 THR 70 -0.835 -2.370 5.899 582 3HG2 THR 70 HG23 THR 70 -1.523 -2.669 7.496 583 H LYS 71 HN LYS 71 2.634 -2.027 4.917 584 HA LYS 71 HA LYS 71 4.054 -3.609 6.934 585 1HB LYS 71 HB2 LYS 71 3.086 -4.887 5.065 586 2HB LYS 71 HB1 LYS 71 4.027 -3.934 3.925 587 1HG LYS 71 HG2 LYS 71 6.095 -4.797 4.904 588 2HG LYS 71 HG1 LYS 71 5.150 -5.750 6.049 589 1HD LYS 71 HD2 LYS 71 4.166 -7.008 4.212 590 2HD LYS 71 HD1 LYS 71 5.059 -6.030 3.046 591 1HE LYS 71 HE2 LYS 71 6.175 -8.156 3.380 592 2HE LYS 71 HE1 LYS 71 7.171 -6.843 4.003 593 1HZ LYS 71 HZ1 LYS 71 6.386 -7.375 6.241 594 2HZ LYS 71 HZ2 LYS 71 7.159 -8.700 5.523 595 3HZ LYS 71 HZ3 LYS 71 5.467 -8.662 5.624 596 H ASN 72 HN ASN 72 6.144 -3.273 7.384 597 HA ASN 72 HA ASN 72 7.344 -0.859 6.373 598 1HB ASN 72 HB2 ASN 72 8.364 -2.951 8.307 599 2HB ASN 72 HB1 ASN 72 9.267 -1.507 7.869 600 1HD2 ASN 72 HD21 ASN 72 5.783 -1.669 8.358 601 2HD2 ASN 72 HD22 ASN 72 5.752 -0.676 9.774 602 H LEU 73 HN LEU 73 8.139 -0.884 4.382 603 HA LEU 73 HA LEU 73 9.363 -3.262 3.278 604 1HB LEU 73 HB2 LEU 73 9.090 -0.463 2.182 605 2HB LEU 73 HB1 LEU 73 9.753 -1.818 1.290 606 HG LEU 73 HG LEU 73 6.917 -1.613 2.312 607 1HD1 LEU 73 HD11 LEU 73 7.342 -0.091 0.462 608 2HD1 LEU 73 HD12 LEU 73 6.326 -1.437 -0.058 609 3HD1 LEU 73 HD13 LEU 73 8.038 -1.410 -0.479 610 1HD2 LEU 73 HD21 LEU 73 7.678 -3.915 2.289 611 2HD2 LEU 73 HD22 LEU 73 8.285 -3.722 0.644 612 3HD2 LEU 73 HD23 LEU 73 6.551 -3.642 0.959 613 HA PRO 74 HA PRO 74 13.286 -2.140 5.105 614 1HB PRO 74 HB2 PRO 74 14.658 -4.254 4.026 615 2HB PRO 74 HB1 PRO 74 13.688 -4.355 5.498 616 1HG PRO 74 HG2 PRO 74 12.982 -5.153 2.706 617 2HG PRO 74 HG1 PRO 74 12.631 -5.983 4.233 618 1HD PRO 74 HD2 PRO 74 10.775 -4.520 2.939 619 2HD PRO 74 HD1 PRO 74 10.834 -4.613 4.711 620 H LYS 75 HN LYS 75 14.292 -0.480 4.224 621 HA LYS 75 HA LYS 75 14.819 -0.184 1.450 622 1HB LYS 75 HB2 LYS 75 16.029 1.212 3.849 623 2HB LYS 75 HB1 LYS 75 16.251 1.717 2.179 624 1HG LYS 75 HG2 LYS 75 13.880 2.166 1.966 625 2HG LYS 75 HG1 LYS 75 13.602 1.581 3.607 626 1HD LYS 75 HD2 LYS 75 14.944 3.382 4.510 627 2HD LYS 75 HD1 LYS 75 15.347 3.933 2.882 628 1HE LYS 75 HE2 LYS 75 13.589 5.309 3.878 629 2HE LYS 75 HE1 LYS 75 13.002 4.445 2.459 630 1HZ LYS 75 HZ1 LYS 75 12.589 3.485 5.237 631 2HZ LYS 75 HZ2 LYS 75 11.842 2.918 3.824 632 3HZ LYS 75 HZ3 LYS 75 11.472 4.458 4.416 633 H ASP 76 HN ASP 76 16.155 -1.506 0.411 634 HA ASP 76 HA ASP 76 18.142 -3.014 1.842 635 1HB ASP 76 HB2 ASP 76 16.703 -3.979 0.034 636 2HB ASP 76 HB1 ASP 76 17.582 -2.992 -1.128 637 H SER 77 HN SER 77 19.139 -0.868 2.399 638 HA SER 77 HA SER 77 21.640 -0.650 1.132 639 1HB SER 77 HB2 SER 77 20.290 0.565 -0.575 640 2HB SER 77 HB1 SER 77 19.783 1.704 0.670 641 HG SER 77 HG SER 77 22.029 1.688 -0.792 642 H LEU 78 HN LEU 78 22.994 -0.012 2.694 643 HA LEU 78 HA LEU 78 21.858 1.395 5.011 644 1HB LEU 78 HB2 LEU 78 24.383 -0.250 4.781 645 2HB LEU 78 HB1 LEU 78 23.844 0.567 6.235 646 HG LEU 78 HG LEU 78 22.367 -1.679 4.855 647 1HD1 LEU 78 HD11 LEU 78 23.988 -1.633 7.393 648 2HD1 LEU 78 HD12 LEU 78 24.424 -2.447 5.889 649 3HD1 LEU 78 HD13 LEU 78 23.024 -2.992 6.815 650 1HD2 LEU 78 HD21 LEU 78 20.867 -0.128 5.997 651 2HD2 LEU 78 HD22 LEU 78 21.835 -0.262 7.465 652 3HD2 LEU 78 HD23 LEU 78 20.956 -1.666 6.857 653 H GLU 79 HN GLU 79 23.155 3.060 6.019 654 HA GLU 79 HA GLU 79 24.447 4.776 4.134 655 1HB GLU 79 HB2 GLU 79 23.106 5.548 6.130 656 2HB GLU 79 HB1 GLU 79 24.439 5.022 7.148 657 1HG GLU 79 HG2 GLU 79 24.454 7.439 6.696 658 2HG GLU 79 HG1 GLU 79 25.915 6.624 6.136 659 H HIS 80 HN HIS 80 26.276 3.917 3.323 660 HA HIS 80 HA HIS 80 28.175 2.656 5.174 661 1HB HIS 80 HB2 HIS 80 27.199 1.344 3.257 662 2HB HIS 80 HB1 HIS 80 28.052 2.427 2.164 663 HD1 HIS 80 HD1 HIS 80 28.558 -0.430 4.488 664 HD2 HIS 80 HD2 HIS 80 30.817 2.033 2.020 665 HE1 HIS 80 HE1 HIS 80 30.810 -1.531 4.310 666 HE2 HIS 80 HE2 HIS 80 32.018 -0.189 2.553 667 H HIS 81 HN HIS 81 29.760 3.933 5.800 668 HA HIS 81 HA HIS 81 31.120 5.636 3.850 669 1HB HIS 81 HB2 HIS 81 31.057 7.553 5.522 670 2HB HIS 81 HB1 HIS 81 29.541 7.205 4.702 671 HD1 HIS 81 HD1 HIS 81 31.016 7.557 8.042 672 HD2 HIS 81 HD2 HIS 81 27.639 5.783 6.380 673 HE1 HIS 81 HE1 HIS 81 29.461 7.119 9.969 674 HE2 HIS 81 HE2 HIS 81 27.510 5.874 8.963 675 H HIS 82 HN HIS 82 33.228 5.313 4.030 676 HA HIS 82 HA HIS 82 34.302 4.125 6.478 677 1HB HIS 82 HB2 HIS 82 35.452 4.536 3.725 678 2HB HIS 82 HB1 HIS 82 36.450 4.044 5.083 679 HD1 HIS 82 HD1 HIS 82 35.030 2.591 2.307 680 HD2 HIS 82 HD2 HIS 82 34.937 1.606 6.349 681 HE1 HIS 82 HE1 HIS 82 34.506 0.130 2.397 682 HE2 HIS 82 HE2 HIS 82 34.691 -0.483 4.834 683 H HIS 83 HN HIS 83 35.427 5.210 7.946 684 HA HIS 83 HA HIS 83 37.224 7.312 7.182 685 1HB HIS 83 HB2 HIS 83 34.987 8.491 7.373 686 2HB HIS 83 HB1 HIS 83 35.004 8.085 9.086 687 HD1 HIS 83 HD1 HIS 83 37.399 9.790 6.649 688 HD2 HIS 83 HD2 HIS 83 36.026 10.104 10.565 689 HE1 HIS 83 HE1 HIS 83 38.535 11.818 7.610 690 HE2 HIS 83 HE2 HIS 83 37.873 11.836 10.041 691 H HIS 84 HN HIS 84 37.568 4.804 8.314 692 HA HIS 84 HA HIS 84 37.869 5.041 11.170 693 1HB HIS 84 HB2 HIS 84 37.346 2.880 10.006 694 2HB HIS 84 HB1 HIS 84 38.973 2.896 9.337 695 HD1 HIS 84 HD1 HIS 84 39.982 0.928 10.550 696 HD2 HIS 84 HD2 HIS 84 38.110 3.611 13.117 697 HE1 HIS 84 HE1 HIS 84 40.588 0.179 12.872 698 HE2 HIS 84 HE2 HIS 84 39.629 1.948 14.389 699 H HIS 85 HN HIS 85 39.187 7.125 10.077 700 HA HIS 85 HA HIS 85 41.965 6.492 10.778 701 1HB HIS 85 HB2 HIS 85 41.082 8.318 8.526 702 2HB HIS 85 HB1 HIS 85 42.725 8.230 9.145 703 HD1 HIS 85 HD1 HIS 85 44.168 6.235 8.422 704 HD2 HIS 85 HD2 HIS 85 40.269 6.110 6.964 705 HE1 HIS 85 HE1 HIS 85 44.155 4.441 6.656 706 HE2 HIS 85 HE2 HIS 85 41.762 4.297 5.871 Start of MODEL 18 1 1H MET 1 HT1 MET 1 -17.835 -7.269 9.206 2 2H MET 1 HT2 MET 1 -17.316 -5.658 9.336 3 3H MET 1 HT3 MET 1 -18.187 -6.158 7.974 4 HA MET 1 HA MET 1 -20.146 -6.508 9.243 5 1HB MET 1 HB2 MET 1 -18.353 -5.783 11.560 6 2HB MET 1 HB1 MET 1 -20.106 -5.720 11.667 7 1HG MET 1 HG2 MET 1 -18.622 -8.207 10.878 8 2HG MET 1 HG1 MET 1 -18.972 -7.797 12.555 9 1HE MET 1 HE1 MET 1 -21.095 -7.496 9.183 10 2HE MET 1 HE2 MET 1 -22.118 -8.921 9.357 11 3HE MET 1 HE3 MET 1 -20.375 -9.107 9.159 12 H HIS 2 HN HIS 2 -21.435 -4.930 8.640 13 HA HIS 2 HA HIS 2 -22.216 -2.901 8.011 14 1HB HIS 2 HB2 HIS 2 -20.377 -1.811 10.159 15 2HB HIS 2 HB1 HIS 2 -21.711 -0.948 9.405 16 HD1 HIS 2 HD1 HIS 2 -23.981 -1.229 10.442 17 HD2 HIS 2 HD2 HIS 2 -21.215 -3.997 11.843 18 HE1 HIS 2 HE1 HIS 2 -25.133 -2.457 12.312 19 HE2 HIS 2 HE2 HIS 2 -23.530 -4.293 12.948 20 H LYS 3 HN LYS 3 -19.281 -1.260 8.909 21 HA LYS 3 HA LYS 3 -18.456 -1.217 6.084 22 1HB LYS 3 HB2 LYS 3 -17.761 0.692 8.328 23 2HB LYS 3 HB1 LYS 3 -17.126 0.791 6.694 24 1HG LYS 3 HG2 LYS 3 -19.439 1.118 5.868 25 2HG LYS 3 HG1 LYS 3 -19.991 1.152 7.546 26 1HD LYS 3 HD2 LYS 3 -18.462 3.049 7.971 27 2HD LYS 3 HD1 LYS 3 -18.016 3.040 6.265 28 1HE LYS 3 HE2 LYS 3 -20.772 3.531 7.382 29 2HE LYS 3 HE1 LYS 3 -19.683 4.755 6.737 30 1HZ LYS 3 HZ1 LYS 3 -19.777 3.558 4.586 31 2HZ LYS 3 HZ2 LYS 3 -21.264 4.211 5.069 32 3HZ LYS 3 HZ3 LYS 3 -20.981 2.548 5.237 33 H ASP 4 HN ASP 4 -16.322 -1.817 5.570 34 HA ASP 4 HA ASP 4 -14.888 -3.110 7.801 35 1HB ASP 4 HB2 ASP 4 -16.152 -4.584 6.011 36 2HB ASP 4 HB1 ASP 4 -14.726 -4.238 5.037 37 H ILE 5 HN ILE 5 -12.572 -3.342 7.482 38 HA ILE 5 HA ILE 5 -11.466 -0.991 6.209 39 HB ILE 5 HB ILE 5 -10.123 -3.200 7.781 40 1HG1 ILE 5 HG12 ILE 5 -11.653 -1.810 9.118 41 2HG1 ILE 5 HG11 ILE 5 -9.975 -1.545 9.577 42 1HG2 ILE 5 HG21 ILE 5 -8.178 -1.695 7.879 43 2HG2 ILE 5 HG22 ILE 5 -8.995 -0.590 6.773 44 3HG2 ILE 5 HG23 ILE 5 -8.546 -2.208 6.234 45 1HD1 ILE 5 HD11 ILE 5 -11.664 0.255 7.855 46 2HD1 ILE 5 HD12 ILE 5 -9.961 0.515 8.234 47 3HD1 ILE 5 HD13 ILE 5 -11.165 0.548 9.521 48 H PHE 6 HN PHE 6 -11.411 -1.185 4.027 49 HA PHE 6 HA PHE 6 -10.941 -3.554 2.598 50 1HB PHE 6 HB2 PHE 6 -11.889 -1.531 1.556 51 2HB PHE 6 HB1 PHE 6 -10.343 -0.710 1.740 52 HD1 PHE 6 HD2 PHE 6 -12.086 -3.449 0.000 53 HD2 PHE 6 HD1 PHE 6 -8.582 -1.042 0.191 54 HE1 PHE 6 HE2 PHE 6 -11.384 -4.309 -2.195 55 HE2 PHE 6 HE1 PHE 6 -7.871 -1.896 -2.004 56 HZ PHE 6 HZ PHE 6 -9.272 -3.533 -3.199 57 H THR 7 HN THR 7 -9.218 -4.779 2.922 58 HA THR 7 HA THR 7 -6.569 -3.494 2.861 59 HB THR 7 HB THR 7 -7.241 -6.059 4.321 60 HG1 THR 7 HG1 THR 7 -8.208 -3.994 5.159 61 1HG2 THR 7 HG21 THR 7 -4.900 -5.857 3.671 62 2HG2 THR 7 HG22 THR 7 -5.064 -5.660 5.415 63 3HG2 THR 7 HG23 THR 7 -4.823 -4.248 4.389 64 H SER 8 HN SER 8 -5.253 -4.188 1.273 65 HA SER 8 HA SER 8 -5.560 -6.849 0.136 66 1HB SER 8 HB2 SER 8 -5.853 -4.327 -1.526 67 2HB SER 8 HB1 SER 8 -5.700 -5.958 -2.182 68 HG SER 8 HG SER 8 -7.652 -5.812 -0.303 69 H VAL 9 HN VAL 9 -3.878 -6.636 -2.008 70 HA VAL 9 HA VAL 9 -1.442 -5.415 -0.898 71 HB VAL 9 HB VAL 9 -0.134 -7.196 -2.072 72 1HG1 VAL 9 HG11 VAL 9 -0.547 -7.329 0.325 73 2HG1 VAL 9 HG12 VAL 9 -0.546 -8.938 -0.399 74 3HG1 VAL 9 HG13 VAL 9 -2.073 -8.164 0.028 75 1HG2 VAL 9 HG21 VAL 9 -1.804 -7.904 -3.693 76 2HG2 VAL 9 HG22 VAL 9 -2.842 -8.492 -2.393 77 3HG2 VAL 9 HG23 VAL 9 -1.290 -9.272 -2.704 78 H VAL 10 HN VAL 10 -0.237 -4.177 -2.244 79 HA VAL 10 HA VAL 10 -1.235 -3.911 -5.006 80 HB VAL 10 HB VAL 10 -1.490 -1.884 -3.549 81 1HG1 VAL 10 HG11 VAL 10 1.521 -1.838 -3.648 82 2HG1 VAL 10 HG12 VAL 10 0.525 -2.103 -2.216 83 3HG1 VAL 10 HG13 VAL 10 0.489 -0.544 -3.038 84 1HG2 VAL 10 HG21 VAL 10 -1.425 -1.676 -5.973 85 2HG2 VAL 10 HG22 VAL 10 0.336 -1.580 -5.929 86 3HG2 VAL 10 HG23 VAL 10 -0.635 -0.294 -5.209 87 H ARG 11 HN ARG 11 0.335 -3.574 -6.667 88 HA ARG 11 HA ARG 11 2.772 -5.053 -6.122 89 1HB ARG 11 HB2 ARG 11 1.525 -4.142 -8.728 90 2HB ARG 11 HB1 ARG 11 3.011 -5.081 -8.608 91 1HG ARG 11 HG2 ARG 11 1.833 -6.908 -7.571 92 2HG ARG 11 HG1 ARG 11 0.346 -5.966 -7.522 93 1HD ARG 11 HD2 ARG 11 0.321 -5.921 -9.984 94 2HD ARG 11 HD1 ARG 11 1.780 -6.916 -9.999 95 HE ARG 11 HE ARG 11 0.233 -8.477 -8.563 96 1HH1 ARG 11 HH11 ARG 11 -0.583 -6.688 -11.473 97 2HH1 ARG 11 HH12 ARG 11 -1.892 -7.753 -11.905 98 1HH2 ARG 11 HH21 ARG 11 -1.452 -9.872 -9.134 99 2HH2 ARG 11 HH22 ARG 11 -2.383 -9.581 -10.574 100 H VAL 12 HN VAL 12 4.486 -4.038 -5.549 101 HA VAL 12 HA VAL 12 4.736 -1.160 -6.045 102 HB VAL 12 HB VAL 12 6.441 -2.790 -4.172 103 1HG1 VAL 12 HG11 VAL 12 5.548 0.082 -4.128 104 2HG1 VAL 12 HG12 VAL 12 7.151 -0.514 -4.561 105 3HG1 VAL 12 HG13 VAL 12 6.557 -0.698 -2.910 106 1HG2 VAL 12 HG21 VAL 12 4.844 -2.311 -2.370 107 2HG2 VAL 12 HG22 VAL 12 4.168 -3.371 -3.607 108 3HG2 VAL 12 HG23 VAL 12 3.715 -1.667 -3.562 109 H ARG 13 HN ARG 13 6.572 -0.310 -7.076 110 HA ARG 13 HA ARG 13 7.878 -2.209 -8.806 111 1HB ARG 13 HB2 ARG 13 7.934 0.790 -8.635 112 2HB ARG 13 HB1 ARG 13 9.012 -0.097 -9.710 113 1HG ARG 13 HG2 ARG 13 6.975 -1.194 -10.687 114 2HG ARG 13 HG1 ARG 13 6.004 -0.056 -9.753 115 1HD ARG 13 HD2 ARG 13 8.160 0.859 -11.629 116 2HD ARG 13 HD1 ARG 13 6.524 0.526 -12.186 117 HE ARG 13 HE ARG 13 6.112 2.227 -10.140 118 1HH1 ARG 13 HH11 ARG 13 8.292 2.360 -12.880 119 2HH1 ARG 13 HH12 ARG 13 8.134 4.081 -13.074 120 1HH2 ARG 13 HH21 ARG 13 5.907 4.485 -10.398 121 2HH2 ARG 13 HH22 ARG 13 6.791 5.289 -11.662 122 H GLY 14 HN GLY 14 10.062 -2.573 -9.036 123 1HA GLY 14 HA2 GLY 14 11.253 -3.084 -6.520 124 2HA GLY 14 HA1 GLY 14 11.921 -3.487 -8.090 125 H SER 15 HN SER 15 11.761 -1.096 -5.567 126 HA SER 15 HA SER 15 14.404 -0.160 -6.468 127 1HB SER 15 HB2 SER 15 13.942 1.775 -4.872 128 2HB SER 15 HB1 SER 15 12.928 1.731 -6.314 129 HG SER 15 HG SER 15 11.454 1.971 -4.773 130 H LYS 16 HN LYS 16 13.289 -2.510 -4.920 131 HA LYS 16 HA LYS 16 15.148 -2.793 -2.825 132 1HB LYS 16 HB2 LYS 16 13.756 -2.578 -0.893 133 2HB LYS 16 HB1 LYS 16 13.559 -1.103 -1.817 134 1HG LYS 16 HG2 LYS 16 11.608 -3.323 -1.362 135 2HG LYS 16 HG1 LYS 16 11.412 -1.593 -1.098 136 1HD LYS 16 HD2 LYS 16 11.607 -1.394 -3.659 137 2HD LYS 16 HD1 LYS 16 11.326 -3.138 -3.672 138 1HE LYS 16 HE2 LYS 16 9.281 -2.613 -2.223 139 2HE LYS 16 HE1 LYS 16 9.501 -0.946 -2.758 140 1HZ LYS 16 HZ1 LYS 16 9.243 -1.610 -5.016 141 2HZ LYS 16 HZ2 LYS 16 7.952 -2.276 -4.143 142 3HZ LYS 16 HZ3 LYS 16 9.253 -3.254 -4.605 143 H LYS 17 HN LYS 17 13.808 -4.699 -1.264 144 HA LYS 17 HA LYS 17 13.621 -6.780 -3.266 145 1HB LYS 17 HB2 LYS 17 13.611 -8.340 -1.325 146 2HB LYS 17 HB1 LYS 17 15.020 -7.296 -1.423 147 1HG LYS 17 HG2 LYS 17 14.177 -5.902 0.345 148 2HG LYS 17 HG1 LYS 17 12.657 -6.802 0.376 149 1HD LYS 17 HD2 LYS 17 14.201 -7.474 2.188 150 2HD LYS 17 HD1 LYS 17 13.813 -8.804 1.098 151 1HE LYS 17 HE2 LYS 17 15.940 -8.330 -0.117 152 2HE LYS 17 HE1 LYS 17 16.333 -7.150 1.130 153 1HZ LYS 17 HZ1 LYS 17 15.858 -10.044 1.621 154 2HZ LYS 17 HZ2 LYS 17 16.339 -8.894 2.768 155 3HZ LYS 17 HZ3 LYS 17 17.385 -9.311 1.503 156 H TYR 18 HN TYR 18 11.442 -5.373 -0.830 157 HA TYR 18 HA TYR 18 9.427 -7.365 -1.386 158 1HB TYR 18 HB2 TYR 18 9.461 -4.946 0.408 159 2HB TYR 18 HB1 TYR 18 8.015 -5.922 0.172 160 HD1 TYR 18 HD1 TYR 18 7.995 -8.290 0.922 161 HD2 TYR 18 HD2 TYR 18 11.223 -5.676 1.832 162 HE1 TYR 18 HE1 TYR 18 8.729 -9.825 2.696 163 HE2 TYR 18 HE2 TYR 18 11.967 -7.203 3.609 164 HH TYR 18 HH TYR 18 10.708 -10.381 3.951 165 H ASN 19 HN ASN 19 8.624 -7.204 -3.413 166 HA ASN 19 HA ASN 19 7.910 -4.544 -4.399 167 1HB ASN 19 HB2 ASN 19 8.305 -7.173 -5.817 168 2HB ASN 19 HB1 ASN 19 7.678 -5.732 -6.617 169 1HD2 ASN 19 HD21 ASN 19 10.133 -7.159 -7.168 170 2HD2 ASN 19 HD22 ASN 19 11.422 -6.025 -6.937 171 H VAL 20 HN VAL 20 6.355 -6.657 -2.631 172 HA VAL 20 HA VAL 20 3.807 -5.724 -3.698 173 HB VAL 20 HB VAL 20 2.777 -7.980 -3.000 174 1HG1 VAL 20 HG11 VAL 20 4.542 -7.864 -5.445 175 2HG1 VAL 20 HG12 VAL 20 2.897 -7.243 -5.320 176 3HG1 VAL 20 HG13 VAL 20 3.196 -8.977 -5.201 177 1HG2 VAL 20 HG21 VAL 20 4.741 -8.881 -1.862 178 2HG2 VAL 20 HG22 VAL 20 5.633 -8.869 -3.383 179 3HG2 VAL 20 HG23 VAL 20 4.236 -9.931 -3.187 180 H VAL 21 HN VAL 21 2.678 -4.760 -2.128 181 HA VAL 21 HA VAL 21 3.373 -5.453 0.650 182 HB VAL 21 HB VAL 21 4.589 -3.391 -0.246 183 1HG1 VAL 21 HG11 VAL 21 3.353 -1.279 -0.177 184 2HG1 VAL 21 HG12 VAL 21 1.851 -2.176 0.050 185 3HG1 VAL 21 HG13 VAL 21 2.764 -2.352 -1.448 186 1HG2 VAL 21 HG21 VAL 21 4.548 -3.863 2.089 187 2HG2 VAL 21 HG22 VAL 21 2.908 -3.232 2.238 188 3HG2 VAL 21 HG23 VAL 21 4.242 -2.140 1.868 189 HA PRO 22 HA PRO 22 -1.043 -5.332 1.289 190 1HB PRO 22 HB2 PRO 22 -1.018 -5.292 4.005 191 2HB PRO 22 HB1 PRO 22 -0.708 -6.750 3.056 192 1HG PRO 22 HG2 PRO 22 1.236 -4.894 4.367 193 2HG PRO 22 HG1 PRO 22 1.245 -6.667 4.307 194 1HD PRO 22 HD2 PRO 22 2.796 -5.142 2.693 195 2HD PRO 22 HD1 PRO 22 2.148 -6.716 2.191 196 H VAL 23 HN VAL 23 -2.265 -3.631 1.038 197 HA VAL 23 HA VAL 23 -1.723 -1.172 2.563 198 HB VAL 23 HB VAL 23 -2.856 0.078 0.782 199 1HG1 VAL 23 HG11 VAL 23 -0.643 -1.689 -0.254 200 2HG1 VAL 23 HG12 VAL 23 -0.443 -0.177 0.637 201 3HG1 VAL 23 HG13 VAL 23 -1.159 -0.165 -0.976 202 1HG2 VAL 23 HG21 VAL 23 -4.379 -1.661 -0.004 203 2HG2 VAL 23 HG22 VAL 23 -3.019 -2.567 -0.665 204 3HG2 VAL 23 HG23 VAL 23 -3.443 -0.996 -1.343 205 H LYS 24 HN LYS 24 -3.615 0.003 3.285 206 HA LYS 24 HA LYS 24 -6.112 -1.504 3.322 207 1HB LYS 24 HB2 LYS 24 -6.321 -1.269 5.779 208 2HB LYS 24 HB1 LYS 24 -4.996 -2.323 5.306 209 1HG LYS 24 HG2 LYS 24 -3.385 -0.631 5.793 210 2HG LYS 24 HG1 LYS 24 -4.649 0.570 6.047 211 1HD LYS 24 HD2 LYS 24 -3.737 -0.234 8.170 212 2HD LYS 24 HD1 LYS 24 -5.441 -0.650 8.002 213 1HE LYS 24 HE2 LYS 24 -3.389 -2.630 7.139 214 2HE LYS 24 HE1 LYS 24 -3.672 -2.405 8.864 215 1HZ LYS 24 HZ1 LYS 24 -5.030 -4.187 7.945 216 2HZ LYS 24 HZ2 LYS 24 -5.751 -3.109 6.859 217 3HZ LYS 24 HZ3 LYS 24 -5.999 -2.924 8.526 218 H SER 25 HN SER 25 -7.735 -0.158 4.749 219 HA SER 25 HA SER 25 -7.514 2.631 3.852 220 1HB SER 25 HB2 SER 25 -9.992 2.656 4.025 221 2HB SER 25 HB1 SER 25 -9.411 1.449 2.882 222 HG SER 25 HG SER 25 -10.714 1.138 5.304 223 H ASN 26 HN ASN 26 -7.353 4.180 5.318 224 HA ASN 26 HA ASN 26 -7.014 3.616 8.058 225 1HB ASN 26 HB2 ASN 26 -6.861 6.039 8.361 226 2HB ASN 26 HB1 ASN 26 -5.938 5.532 6.953 227 1HD2 ASN 26 HD21 ASN 26 -6.950 8.151 7.540 228 2HD2 ASN 26 HD22 ASN 26 -7.977 8.590 6.227 229 H LYS 27 HN LYS 27 -9.785 4.385 6.182 230 HA LYS 27 HA LYS 27 -11.418 4.445 8.629 231 1HB LYS 27 HB2 LYS 27 -11.977 5.851 6.000 232 2HB LYS 27 HB1 LYS 27 -13.008 5.886 7.428 233 1HG LYS 27 HG2 LYS 27 -11.464 7.169 8.645 234 2HG LYS 27 HG1 LYS 27 -10.167 6.849 7.493 235 1HD LYS 27 HD2 LYS 27 -11.506 8.120 5.787 236 2HD LYS 27 HD1 LYS 27 -12.603 8.583 7.093 237 1HE LYS 27 HE2 LYS 27 -10.795 9.666 8.279 238 2HE LYS 27 HE1 LYS 27 -9.634 9.118 7.073 239 1HZ LYS 27 HZ1 LYS 27 -10.987 10.439 5.425 240 2HZ LYS 27 HZ2 LYS 27 -10.101 11.335 6.559 241 3HZ LYS 27 HZ3 LYS 27 -11.775 11.143 6.756 242 HA PRO 28 HA PRO 28 -13.263 0.778 6.991 243 1HB PRO 28 HB2 PRO 28 -15.738 0.967 8.157 244 2HB PRO 28 HB1 PRO 28 -14.287 0.426 9.008 245 1HG PRO 28 HG2 PRO 28 -15.603 3.110 9.018 246 2HG PRO 28 HG1 PRO 28 -14.878 2.209 10.362 247 1HD PRO 28 HD2 PRO 28 -13.598 4.251 9.133 248 2HD PRO 28 HD1 PRO 28 -12.732 2.855 9.805 249 H VAL 29 HN VAL 29 -14.108 0.375 5.089 250 HA VAL 29 HA VAL 29 -15.858 2.400 3.852 251 HB VAL 29 HB VAL 29 -15.026 1.374 1.671 252 1HG1 VAL 29 HG11 VAL 29 -14.269 3.555 2.399 253 2HG1 VAL 29 HG12 VAL 29 -12.936 2.658 1.670 254 3HG1 VAL 29 HG13 VAL 29 -13.043 2.806 3.425 255 1HG2 VAL 29 HG21 VAL 29 -12.868 0.236 1.741 256 2HG2 VAL 29 HG22 VAL 29 -14.121 -0.684 2.574 257 3HG2 VAL 29 HG23 VAL 29 -12.934 0.231 3.503 258 H GLU 30 HN GLU 30 -17.664 1.738 2.713 259 HA GLU 30 HA GLU 30 -18.804 -0.825 3.160 260 1HB GLU 30 HB2 GLU 30 -19.415 1.189 0.981 261 2HB GLU 30 HB1 GLU 30 -20.441 -0.162 1.448 262 1HG GLU 30 HG2 GLU 30 -20.853 0.808 3.592 263 2HG GLU 30 HG1 GLU 30 -19.670 2.078 3.296 264 H ILE 31 HN ILE 31 -18.247 -2.712 2.185 265 HA ILE 31 HA ILE 31 -16.196 -2.576 0.189 266 HB ILE 31 HB ILE 31 -15.873 -4.246 1.838 267 1HG1 ILE 31 HG12 ILE 31 -16.690 -5.791 -0.607 268 2HG1 ILE 31 HG11 ILE 31 -15.351 -4.649 -0.654 269 1HG2 ILE 31 HG21 ILE 31 -17.371 -6.154 2.152 270 2HG2 ILE 31 HG22 ILE 31 -18.504 -5.454 0.994 271 3HG2 ILE 31 HG23 ILE 31 -18.177 -4.628 2.517 272 1HD1 ILE 31 HD11 ILE 31 -14.564 -6.897 -0.306 273 2HD1 ILE 31 HD12 ILE 31 -15.571 -7.046 1.134 274 3HD1 ILE 31 HD13 ILE 31 -14.235 -5.894 1.105 275 H SER 32 HN SER 32 -17.300 -1.596 -1.414 276 HA SER 32 HA SER 32 -18.593 -3.503 -3.231 277 1HB SER 32 HB2 SER 32 -19.443 -0.614 -2.894 278 2HB SER 32 HB1 SER 32 -20.141 -1.782 -4.013 279 HG SER 32 HG SER 32 -21.373 -1.549 -2.084 280 H LYS 33 HN LYS 33 -16.099 -1.328 -2.698 281 HA LYS 33 HA LYS 33 -15.896 -0.491 -5.493 282 1HB LYS 33 HB2 LYS 33 -14.836 0.615 -2.915 283 2HB LYS 33 HB1 LYS 33 -14.070 1.033 -4.438 284 1HG LYS 33 HG2 LYS 33 -16.081 2.048 -5.244 285 2HG LYS 33 HG1 LYS 33 -16.983 1.481 -3.835 286 1HD LYS 33 HD2 LYS 33 -15.889 2.954 -2.392 287 2HD LYS 33 HD1 LYS 33 -14.549 3.199 -3.508 288 1HE LYS 33 HE2 LYS 33 -16.025 5.159 -3.341 289 2HE LYS 33 HE1 LYS 33 -15.948 4.502 -4.973 290 1HZ LYS 33 HZ1 LYS 33 -18.077 3.502 -4.694 291 2HZ LYS 33 HZ2 LYS 33 -18.209 5.126 -4.223 292 3HZ LYS 33 HZ3 LYS 33 -18.125 3.909 -3.048 293 H TRP 34 HN TRP 34 -15.014 -3.132 -4.155 294 HA TRP 34 HA TRP 34 -12.196 -3.133 -4.079 295 1HB TRP 34 HB2 TRP 34 -12.347 -5.586 -4.173 296 2HB TRP 34 HB1 TRP 34 -13.471 -4.908 -3.004 297 HD1 TRP 34 HD1 TRP 34 -16.113 -4.989 -3.672 298 HE1 TRP 34 HE1 TRP 34 -17.401 -6.632 -5.186 299 HE3 TRP 34 HE3 TRP 34 -12.164 -6.972 -6.251 300 HZ2 TRP 34 HZ2 TRP 34 -16.808 -8.513 -7.204 301 HZ3 TRP 34 HZ3 TRP 34 -12.613 -8.689 -7.953 302 HH2 TRP 34 HH2 TRP 34 -14.887 -9.443 -8.419 303 H ILE 35 HN ILE 35 -14.467 -3.370 -6.678 304 HA ILE 35 HA ILE 35 -12.632 -4.280 -8.664 305 HB ILE 35 HB ILE 35 -15.209 -2.735 -9.024 306 1HG1 ILE 35 HG12 ILE 35 -14.709 -5.721 -9.099 307 2HG1 ILE 35 HG11 ILE 35 -15.505 -4.858 -7.788 308 1HG2 ILE 35 HG21 ILE 35 -13.623 -4.400 -10.977 309 2HG2 ILE 35 HG22 ILE 35 -13.798 -2.646 -11.000 310 3HG2 ILE 35 HG23 ILE 35 -15.199 -3.675 -11.290 311 1HD1 ILE 35 HD11 ILE 35 -17.108 -5.970 -9.239 312 2HD1 ILE 35 HD12 ILE 35 -16.506 -5.052 -10.620 313 3HD1 ILE 35 HD13 ILE 35 -17.307 -4.219 -9.289 314 H ASP 36 HN ASP 36 -13.907 -1.093 -7.750 315 HA ASP 36 HA ASP 36 -12.464 0.363 -9.714 316 1HB ASP 36 HB2 ASP 36 -13.668 1.290 -7.087 317 2HB ASP 36 HB1 ASP 36 -13.083 2.357 -8.359 318 H PHE 37 HN PHE 37 -11.803 -0.445 -6.325 319 HA PHE 37 HA PHE 37 -9.532 1.206 -6.065 320 1HB PHE 37 HB2 PHE 37 -10.418 -1.254 -4.568 321 2HB PHE 37 HB1 PHE 37 -8.930 -0.403 -4.170 322 HD1 PHE 37 HD2 PHE 37 -10.355 2.341 -4.988 323 HD2 PHE 37 HD1 PHE 37 -11.215 -0.819 -2.271 324 HE1 PHE 37 HE2 PHE 37 -11.610 3.905 -3.572 325 HE2 PHE 37 HE1 PHE 37 -12.473 0.745 -0.849 326 HZ PHE 37 HZ PHE 37 -12.672 3.113 -1.500 327 H SER 38 HN SER 38 -9.814 -2.264 -6.889 328 HA SER 38 HA SER 38 -7.029 -2.625 -7.287 329 1HB SER 38 HB2 SER 38 -7.744 -4.682 -8.563 330 2HB SER 38 HB1 SER 38 -8.399 -4.570 -6.929 331 HG SER 38 HG SER 38 -10.360 -4.266 -7.708 332 H ASN 39 HN ASN 39 -9.640 -1.526 -9.294 333 HA ASN 39 HA ASN 39 -8.498 -1.521 -11.827 334 1HB ASN 39 HB2 ASN 39 -10.867 -0.878 -11.116 335 2HB ASN 39 HB1 ASN 39 -10.213 0.700 -10.700 336 1HD2 ASN 39 HD21 ASN 39 -11.251 -1.391 -13.176 337 2HD2 ASN 39 HD22 ASN 39 -11.082 -0.284 -14.491 338 H VAL 40 HN VAL 40 -8.415 0.985 -9.315 339 HA VAL 40 HA VAL 40 -6.632 2.701 -10.718 340 HB VAL 40 HB VAL 40 -7.224 2.627 -7.751 341 1HG1 VAL 40 HG11 VAL 40 -5.236 3.926 -8.253 342 2HG1 VAL 40 HG12 VAL 40 -6.565 4.994 -7.798 343 3HG1 VAL 40 HG13 VAL 40 -6.112 4.822 -9.494 344 1HG2 VAL 40 HG21 VAL 40 -8.868 4.386 -8.240 345 2HG2 VAL 40 HG22 VAL 40 -9.274 2.859 -9.024 346 3HG2 VAL 40 HG23 VAL 40 -8.565 4.173 -9.965 347 H LEU 41 HN LEU 41 -6.215 0.193 -8.262 348 HA LEU 41 HA LEU 41 -3.493 0.630 -7.727 349 1HB LEU 41 HB2 LEU 41 -5.099 -1.921 -7.616 350 2HB LEU 41 HB1 LEU 41 -3.467 -1.765 -7.000 351 HG LEU 41 HG LEU 41 -5.899 -0.293 -5.984 352 1HD1 LEU 41 HD11 LEU 41 -4.231 -2.485 -4.759 353 2HD1 LEU 41 HD12 LEU 41 -5.882 -2.639 -5.356 354 3HD1 LEU 41 HD13 LEU 41 -5.542 -1.623 -3.955 355 1HD2 LEU 41 HD21 LEU 41 -3.885 1.084 -5.832 356 2HD2 LEU 41 HD22 LEU 41 -3.049 -0.228 -5.002 357 3HD2 LEU 41 HD23 LEU 41 -4.429 0.559 -4.239 358 H SER 42 HN SER 42 -5.070 -0.857 -10.434 359 HA SER 42 HA SER 42 -2.753 -2.268 -11.374 360 1HB SER 42 HB2 SER 42 -5.324 -1.550 -12.808 361 2HB SER 42 HB1 SER 42 -4.104 -2.680 -13.395 362 HG SER 42 HG SER 42 -5.672 -2.927 -11.034 363 H ARG 43 HN ARG 43 -3.279 0.924 -11.136 364 HA ARG 43 HA ARG 43 -1.313 1.434 -13.236 365 1HB ARG 43 HB2 ARG 43 -2.453 3.462 -13.976 366 2HB ARG 43 HB1 ARG 43 -3.474 2.054 -14.219 367 1HG ARG 43 HG2 ARG 43 -4.661 2.642 -12.104 368 2HG ARG 43 HG1 ARG 43 -3.724 4.138 -12.066 369 1HD ARG 43 HD2 ARG 43 -4.614 4.687 -14.313 370 2HD ARG 43 HD1 ARG 43 -5.629 3.250 -14.226 371 HE ARG 43 HE ARG 43 -5.887 5.649 -12.543 372 1HH1 ARG 43 HH11 ARG 43 -7.181 2.641 -13.779 373 2HH1 ARG 43 HH12 ARG 43 -8.793 2.942 -13.214 374 1HH2 ARG 43 HH21 ARG 43 -8.019 6.069 -11.821 375 2HH2 ARG 43 HH22 ARG 43 -9.277 4.898 -12.104 376 H LEU 44 HN LEU 44 -1.609 1.254 -10.208 377 HA LEU 44 HA LEU 44 -0.462 3.886 -9.556 378 1HB LEU 44 HB2 LEU 44 -2.630 3.320 -8.431 379 2HB LEU 44 HB1 LEU 44 -1.831 1.955 -7.678 380 HG LEU 44 HG LEU 44 -0.299 3.519 -6.526 381 1HD1 LEU 44 HD11 LEU 44 -0.383 5.362 -8.116 382 2HD1 LEU 44 HD12 LEU 44 -0.834 5.906 -6.501 383 3HD1 LEU 44 HD13 LEU 44 -2.079 5.639 -7.719 384 1HD2 LEU 44 HD21 LEU 44 -3.235 4.049 -6.094 385 2HD2 LEU 44 HD22 LEU 44 -1.949 4.357 -4.929 386 3HD2 LEU 44 HD23 LEU 44 -2.316 2.704 -5.421 387 H TYR 45 HN TYR 45 1.373 2.488 -10.619 388 HA TYR 45 HA TYR 45 2.597 0.596 -8.808 389 1HB TYR 45 HB2 TYR 45 3.455 1.668 -11.498 390 2HB TYR 45 HB1 TYR 45 4.405 0.519 -10.561 391 HD1 TYR 45 HD1 TYR 45 1.178 0.977 -12.331 392 HD2 TYR 45 HD2 TYR 45 3.903 -1.779 -10.575 393 HE1 TYR 45 HE1 TYR 45 -0.075 -0.890 -13.329 394 HE2 TYR 45 HE2 TYR 45 2.658 -3.650 -11.566 395 HH TYR 45 HH TYR 45 0.223 -3.188 -13.956 396 H VAL 46 HN VAL 46 3.151 1.771 -7.005 397 HA VAL 46 HA VAL 46 4.960 4.037 -7.312 398 HB VAL 46 HB VAL 46 3.116 4.172 -5.662 399 1HG1 VAL 46 HG11 VAL 46 3.021 1.845 -4.974 400 2HG1 VAL 46 HG12 VAL 46 3.225 2.902 -3.579 401 3HG1 VAL 46 HG13 VAL 46 4.600 1.994 -4.205 402 1HG2 VAL 46 HG21 VAL 46 4.436 5.030 -3.790 403 2HG2 VAL 46 HG22 VAL 46 5.099 5.536 -5.346 404 3HG2 VAL 46 HG23 VAL 46 5.870 4.232 -4.442 405 H GLY 47 HN GLY 47 7.106 4.020 -6.442 406 1HA GLY 47 HA2 GLY 47 8.117 1.315 -5.844 407 2HA GLY 47 HA1 GLY 47 8.904 2.335 -7.027 408 H VAL 48 HN VAL 48 7.619 3.037 -3.825 409 HA VAL 48 HA VAL 48 10.357 3.644 -2.959 410 HB VAL 48 HB VAL 48 9.498 5.529 -1.578 411 1HG1 VAL 48 HG11 VAL 48 10.613 5.950 -3.702 412 2HG1 VAL 48 HG12 VAL 48 9.338 7.137 -3.420 413 3HG1 VAL 48 HG13 VAL 48 9.075 5.811 -4.553 414 1HG2 VAL 48 HG21 VAL 48 7.329 6.527 -2.135 415 2HG2 VAL 48 HG22 VAL 48 7.147 4.903 -1.472 416 3HG2 VAL 48 HG23 VAL 48 6.982 5.169 -3.207 417 HA PRO 49 HA PRO 49 9.252 0.969 0.472 418 1HB PRO 49 HB2 PRO 49 11.766 2.029 1.595 419 2HB PRO 49 HB1 PRO 49 11.312 0.358 1.241 420 1HG PRO 49 HG2 PRO 49 13.118 1.639 -0.252 421 2HG PRO 49 HG1 PRO 49 11.949 0.519 -0.982 422 1HD PRO 49 HD2 PRO 49 11.884 3.519 -0.880 423 2HD PRO 49 HD1 PRO 49 11.549 2.438 -2.250 424 H THR 50 HN THR 50 8.115 1.409 2.269 425 HA THR 50 HA THR 50 8.357 4.074 3.474 426 HB THR 50 HB THR 50 5.761 3.862 3.696 427 HG1 THR 50 HG1 THR 50 5.550 2.782 1.242 428 1HG2 THR 50 HG21 THR 50 5.482 5.078 1.562 429 2HG2 THR 50 HG22 THR 50 7.114 4.600 1.090 430 3HG2 THR 50 HG23 THR 50 6.869 5.660 2.480 431 H LYS 51 HN LYS 51 6.735 4.109 5.469 432 HA LYS 51 HA LYS 51 7.152 1.625 6.992 433 1HB LYS 51 HB2 LYS 51 7.170 4.469 8.031 434 2HB LYS 51 HB1 LYS 51 7.358 3.022 9.014 435 1HG LYS 51 HG2 LYS 51 9.417 2.476 7.804 436 2HG LYS 51 HG1 LYS 51 9.230 3.942 6.842 437 1HD LYS 51 HD2 LYS 51 9.566 3.842 9.839 438 2HD LYS 51 HD1 LYS 51 10.841 4.221 8.680 439 1HE LYS 51 HE2 LYS 51 9.473 6.152 7.904 440 2HE LYS 51 HE1 LYS 51 8.325 5.805 9.197 441 1HZ LYS 51 HZ1 LYS 51 9.791 7.496 9.957 442 2HZ LYS 51 HZ2 LYS 51 11.165 6.625 9.487 443 3HZ LYS 51 HZ3 LYS 51 10.214 6.073 10.782 444 H SER 52 HN SER 52 5.560 1.604 8.969 445 HA SER 52 HA SER 52 3.043 1.214 7.817 446 1HB SER 52 HB2 SER 52 3.950 0.048 9.856 447 2HB SER 52 HB1 SER 52 3.583 1.510 10.773 448 HG SER 52 HG SER 52 1.503 1.070 10.685 449 H GLY 53 HN GLY 53 1.375 2.496 7.451 450 1HA GLY 53 HA2 GLY 53 -0.244 4.092 8.094 451 2HA GLY 53 HA1 GLY 53 0.932 4.816 9.179 452 H ASN 54 HN ASN 54 1.767 4.019 5.895 453 HA ASN 54 HA ASN 54 2.136 6.881 5.375 454 1HB ASN 54 HB2 ASN 54 3.617 6.256 3.582 455 2HB ASN 54 HB1 ASN 54 4.067 5.342 5.017 456 1HD2 ASN 54 HD21 ASN 54 3.771 3.138 5.054 457 2HD2 ASN 54 HD22 ASN 54 3.436 2.225 3.622 458 H VAL 55 HN VAL 55 1.071 7.964 3.780 459 HA VAL 55 HA VAL 55 -1.297 6.726 2.709 460 HB VAL 55 HB VAL 55 -0.138 9.489 2.297 461 1HG1 VAL 55 HG11 VAL 55 -2.251 10.063 1.209 462 2HG1 VAL 55 HG12 VAL 55 -2.756 8.377 1.298 463 3HG1 VAL 55 HG13 VAL 55 -1.372 8.833 0.304 464 1HG2 VAL 55 HG21 VAL 55 -1.026 9.175 4.517 465 2HG2 VAL 55 HG22 VAL 55 -2.512 8.489 3.860 466 3HG2 VAL 55 HG23 VAL 55 -2.136 10.191 3.590 467 H VAL 56 HN VAL 56 -1.296 5.498 0.967 468 HA VAL 56 HA VAL 56 0.765 5.760 -1.065 469 HB VAL 56 HB VAL 56 -1.645 3.924 -1.024 470 1HG1 VAL 56 HG11 VAL 56 0.890 3.827 -2.653 471 2HG1 VAL 56 HG12 VAL 56 -0.715 4.248 -3.250 472 3HG1 VAL 56 HG13 VAL 56 -0.391 2.614 -2.670 473 1HG2 VAL 56 HG21 VAL 56 -0.139 2.187 -0.231 474 2HG2 VAL 56 HG22 VAL 56 -0.186 3.531 0.909 475 3HG2 VAL 56 HG23 VAL 56 1.191 3.342 -0.176 476 H CYS 57 HN CYS 57 -2.802 5.760 -1.013 477 HA CYS 57 HA CYS 57 -2.737 7.876 -3.050 478 1HB CYS 57 HB2 CYS 57 -3.325 5.589 -3.998 479 2HB CYS 57 HB1 CYS 57 -4.795 5.664 -3.037 480 HG CYS 57 HG CYS 57 -4.663 8.463 -4.678 481 H LYS 58 HN LYS 58 -3.471 9.612 -2.069 482 HA LYS 58 HA LYS 58 -5.284 9.428 0.189 483 1HB LYS 58 HB2 LYS 58 -3.243 10.985 -0.045 484 2HB LYS 58 HB1 LYS 58 -4.249 11.954 -1.104 485 1HG LYS 58 HG2 LYS 58 -5.111 11.266 1.686 486 2HG LYS 58 HG1 LYS 58 -4.071 12.649 1.339 487 1HD LYS 58 HD2 LYS 58 -5.774 13.524 -0.192 488 2HD LYS 58 HD1 LYS 58 -6.812 12.153 0.199 489 1HE LYS 58 HE2 LYS 58 -5.787 14.090 2.260 490 2HE LYS 58 HE1 LYS 58 -7.320 14.303 1.417 491 1HZ LYS 58 HZ1 LYS 58 -7.562 13.230 3.589 492 2HZ LYS 58 HZ2 LYS 58 -6.608 11.925 3.063 493 3HZ LYS 58 HZ3 LYS 58 -8.106 12.239 2.327 494 H ASN 59 HN ASN 59 -7.435 9.481 -0.027 495 HA ASN 59 HA ASN 59 -9.513 9.686 -0.924 496 1HB ASN 59 HB2 ASN 59 -8.198 12.216 -1.885 497 2HB ASN 59 HB1 ASN 59 -9.849 11.829 -2.358 498 1HD2 ASN 59 HD21 ASN 59 -10.628 13.621 -1.253 499 2HD2 ASN 59 HD22 ASN 59 -10.760 13.642 0.472 500 H ILE 60 HN ILE 60 -8.205 7.823 -2.116 501 HA ILE 60 HA ILE 60 -7.337 7.948 -4.704 502 HB ILE 60 HB ILE 60 -6.954 5.981 -3.431 503 1HG1 ILE 60 HG12 ILE 60 -8.836 5.279 -5.689 504 2HG1 ILE 60 HG11 ILE 60 -7.125 5.654 -5.863 505 1HG2 ILE 60 HG21 ILE 60 -8.743 4.416 -2.787 506 2HG2 ILE 60 HG22 ILE 60 -9.938 5.577 -3.370 507 3HG2 ILE 60 HG23 ILE 60 -8.896 5.992 -2.007 508 1HD1 ILE 60 HD11 ILE 60 -6.571 3.688 -4.514 509 2HD1 ILE 60 HD12 ILE 60 -7.499 3.268 -5.954 510 3HD1 ILE 60 HD13 ILE 60 -8.288 3.310 -4.377 511 H MET 61 HN MET 61 -10.679 7.219 -3.690 512 HA MET 61 HA MET 61 -11.537 7.918 -6.409 513 1HB MET 61 HB2 MET 61 -12.425 5.546 -4.762 514 2HB MET 61 HB1 MET 61 -13.304 6.122 -6.172 515 1HG MET 61 HG2 MET 61 -10.438 5.195 -6.183 516 2HG MET 61 HG1 MET 61 -11.821 4.215 -6.664 517 1HE MET 61 HE1 MET 61 -13.668 6.213 -8.210 518 2HE MET 61 HE2 MET 61 -13.255 4.623 -8.850 519 3HE MET 61 HE3 MET 61 -13.087 6.053 -9.868 520 H ASN 62 HN ASN 62 -11.490 9.725 -4.390 521 HA ASN 62 HA ASN 62 -12.758 11.323 -3.382 522 1HB ASN 62 HB2 ASN 62 -14.909 10.123 -5.141 523 2HB ASN 62 HB1 ASN 62 -15.097 11.618 -4.232 524 1HD2 ASN 62 HD21 ASN 62 -14.062 13.470 -4.926 525 2HD2 ASN 62 HD22 ASN 62 -13.303 13.587 -6.484 526 H THR 63 HN THR 63 -12.494 8.729 -2.101 527 HA THR 63 HA THR 63 -15.047 8.157 -0.872 528 HB THR 63 HB THR 63 -13.673 6.449 0.401 529 HG1 THR 63 HG1 THR 63 -11.558 6.195 -0.145 530 1HG2 THR 63 HG21 THR 63 -13.426 4.963 -1.525 531 2HG2 THR 63 HG22 THR 63 -13.547 6.344 -2.616 532 3HG2 THR 63 HG23 THR 63 -14.930 5.874 -1.628 533 H GLY 64 HN GLY 64 -12.351 10.151 -0.228 534 1HA GLY 64 HA2 GLY 64 -11.862 11.500 1.595 535 2HA GLY 64 HA1 GLY 64 -13.294 10.864 2.398 536 H VAL 65 HN VAL 65 -11.416 8.407 1.181 537 HA VAL 65 HA VAL 65 -10.317 7.807 3.842 538 HB VAL 65 HB VAL 65 -10.950 6.002 1.491 539 1HG1 VAL 65 HG11 VAL 65 -8.950 5.214 2.652 540 2HG1 VAL 65 HG12 VAL 65 -10.314 4.129 2.905 541 3HG1 VAL 65 HG13 VAL 65 -9.825 5.243 4.183 542 1HG2 VAL 65 HG21 VAL 65 -12.188 6.229 4.227 543 2HG2 VAL 65 HG22 VAL 65 -12.592 5.007 3.021 544 3HG2 VAL 65 HG23 VAL 65 -12.922 6.710 2.697 545 H ASP 66 HN ASP 66 -8.205 7.463 4.122 546 HA ASP 66 HA ASP 66 -6.421 8.051 1.879 547 1HB ASP 66 HB2 ASP 66 -5.767 7.806 4.829 548 2HB ASP 66 HB1 ASP 66 -4.715 8.443 3.571 549 H ILE 67 HN ILE 67 -5.938 6.236 0.769 550 HA ILE 67 HA ILE 67 -5.874 3.649 1.987 551 HB ILE 67 HB ILE 67 -4.837 4.528 -0.717 552 1HG1 ILE 67 HG12 ILE 67 -7.238 4.882 -0.494 553 2HG1 ILE 67 HG11 ILE 67 -6.923 3.529 -1.576 554 1HG2 ILE 67 HG21 ILE 67 -3.774 2.462 0.005 555 2HG2 ILE 67 HG22 ILE 67 -4.906 2.153 -1.310 556 3HG2 ILE 67 HG23 ILE 67 -5.351 1.752 0.348 557 1HD1 ILE 67 HD11 ILE 67 -8.792 3.054 -0.111 558 2HD1 ILE 67 HD12 ILE 67 -7.775 3.332 1.304 559 3HD1 ILE 67 HD13 ILE 67 -7.443 1.970 0.235 560 H ILE 68 HN ILE 68 -4.353 3.113 3.371 561 HA ILE 68 HA ILE 68 -1.679 4.284 3.008 562 HB ILE 68 HB ILE 68 -1.407 4.097 5.463 563 1HG1 ILE 68 HG12 ILE 68 -4.374 3.490 5.451 564 2HG1 ILE 68 HG11 ILE 68 -3.102 2.341 5.855 565 1HG2 ILE 68 HG21 ILE 68 -2.005 6.215 4.461 566 2HG2 ILE 68 HG22 ILE 68 -2.813 6.034 6.018 567 3HG2 ILE 68 HG23 ILE 68 -3.716 5.791 4.524 568 1HD1 ILE 68 HD11 ILE 68 -2.472 3.707 7.771 569 2HD1 ILE 68 HD12 ILE 68 -4.166 3.227 7.851 570 3HD1 ILE 68 HD13 ILE 68 -3.736 4.867 7.365 571 H CYS 69 HN CYS 69 0.101 3.048 3.265 572 HA CYS 69 HA CYS 69 -0.253 0.159 3.370 573 1HB CYS 69 HB2 CYS 69 1.289 0.879 1.702 574 2HB CYS 69 HB1 CYS 69 2.116 1.952 2.823 575 HG CYS 69 HG CYS 69 3.932 -0.014 2.412 576 H THR 70 HN THR 70 0.575 -1.132 5.021 577 HA THR 70 HA THR 70 1.249 0.369 7.469 578 HB THR 70 HB THR 70 -1.053 -0.537 7.494 579 HG1 THR 70 HG1 THR 70 0.733 -0.746 9.375 580 1HG2 THR 70 HG21 THR 70 -0.740 -2.481 6.059 581 2HG2 THR 70 HG22 THR 70 -1.413 -2.971 7.615 582 3HG2 THR 70 HG23 THR 70 0.297 -3.230 7.274 583 H LYS 71 HN LYS 71 2.633 -1.491 5.254 584 HA LYS 71 HA LYS 71 4.136 -3.113 7.182 585 1HB LYS 71 HB2 LYS 71 3.201 -4.223 5.134 586 2HB LYS 71 HB1 LYS 71 4.250 -3.202 4.161 587 1HG LYS 71 HG2 LYS 71 6.212 -4.193 5.243 588 2HG LYS 71 HG1 LYS 71 5.151 -5.231 6.198 589 1HD LYS 71 HD2 LYS 71 4.265 -6.175 4.073 590 2HD LYS 71 HD1 LYS 71 5.464 -5.220 3.198 591 1HE LYS 71 HE2 LYS 71 6.248 -7.497 3.496 592 2HE LYS 71 HE1 LYS 71 7.257 -6.373 4.405 593 1HZ LYS 71 HZ1 LYS 71 5.008 -7.845 5.653 594 2HZ LYS 71 HZ2 LYS 71 6.294 -7.045 6.423 595 3HZ LYS 71 HZ3 LYS 71 6.573 -8.485 5.574 596 H ASN 72 HN ASN 72 6.415 -2.925 7.293 597 HA ASN 72 HA ASN 72 7.387 -0.303 6.405 598 1HB ASN 72 HB2 ASN 72 8.502 -2.231 8.459 599 2HB ASN 72 HB1 ASN 72 9.273 -0.719 8.003 600 1HD2 ASN 72 HD21 ASN 72 5.810 -1.214 8.406 601 2HD2 ASN 72 HD22 ASN 72 5.636 -0.219 9.808 602 H LEU 73 HN LEU 73 8.418 -0.309 4.519 603 HA LEU 73 HA LEU 73 9.540 -2.805 3.514 604 1HB LEU 73 HB2 LEU 73 9.223 -0.099 2.217 605 2HB LEU 73 HB1 LEU 73 9.899 -1.501 1.419 606 HG LEU 73 HG LEU 73 7.635 -2.632 1.909 607 1HD1 LEU 73 HD11 LEU 73 6.885 0.260 2.299 608 2HD1 LEU 73 HD12 LEU 73 6.748 -1.037 3.486 609 3HD1 LEU 73 HD13 LEU 73 5.741 -1.058 2.038 610 1HD2 LEU 73 HD21 LEU 73 7.850 -0.354 -0.053 611 2HD2 LEU 73 HD22 LEU 73 6.647 -1.642 -0.113 612 3HD2 LEU 73 HD23 LEU 73 8.357 -2.023 -0.319 613 HA PRO 74 HA PRO 74 13.648 -1.423 4.730 614 1HB PRO 74 HB2 PRO 74 14.523 -4.068 3.934 615 2HB PRO 74 HB1 PRO 74 14.450 -3.373 5.554 616 1HG PRO 74 HG2 PRO 74 12.831 -5.406 4.719 617 2HG PRO 74 HG1 PRO 74 12.373 -4.239 5.973 618 1HD PRO 74 HD2 PRO 74 11.607 -4.307 3.077 619 2HD PRO 74 HD1 PRO 74 10.614 -3.922 4.500 620 H LYS 75 HN LYS 75 15.480 -0.860 3.559 621 HA LYS 75 HA LYS 75 15.663 -1.645 0.763 622 1HB LYS 75 HB2 LYS 75 14.244 0.354 0.730 623 2HB LYS 75 HB1 LYS 75 15.442 1.237 1.663 624 1HG LYS 75 HG2 LYS 75 17.030 1.023 -0.196 625 2HG LYS 75 HG1 LYS 75 15.800 0.173 -1.133 626 1HD LYS 75 HD2 LYS 75 14.389 2.112 -1.145 627 2HD LYS 75 HD1 LYS 75 15.465 2.956 -0.029 628 1HE LYS 75 HE2 LYS 75 16.180 2.073 -2.825 629 2HE LYS 75 HE1 LYS 75 15.745 3.714 -2.351 630 1HZ LYS 75 HZ1 LYS 75 17.672 3.574 -0.750 631 2HZ LYS 75 HZ2 LYS 75 18.074 3.660 -2.394 632 3HZ LYS 75 HZ3 LYS 75 18.159 2.175 -1.583 633 H ASP 76 HN ASP 76 17.681 -1.156 -0.189 634 HA ASP 76 HA ASP 76 19.868 -0.597 -0.377 635 1HB ASP 76 HB2 ASP 76 19.206 1.303 1.313 636 2HB ASP 76 HB1 ASP 76 20.092 0.312 2.468 637 H SER 77 HN SER 77 22.035 -1.018 1.179 638 HA SER 77 HA SER 77 21.719 -3.912 1.647 639 1HB SER 77 HB2 SER 77 24.183 -2.425 0.707 640 2HB SER 77 HB1 SER 77 23.979 -4.177 0.806 641 HG SER 77 HG SER 77 21.961 -3.253 -0.614 642 H LEU 78 HN LEU 78 21.682 -1.469 3.542 643 HA LEU 78 HA LEU 78 23.952 -1.760 5.222 644 1HB LEU 78 HB2 LEU 78 22.524 0.247 5.227 645 2HB LEU 78 HB1 LEU 78 21.203 -0.699 5.885 646 HG LEU 78 HG LEU 78 22.540 -1.114 7.926 647 1HD1 LEU 78 HD11 LEU 78 24.563 0.213 8.315 648 2HD1 LEU 78 HD12 LEU 78 24.499 0.789 6.649 649 3HD1 LEU 78 HD13 LEU 78 24.765 -0.923 6.982 650 1HD2 LEU 78 HD21 LEU 78 20.950 0.724 7.869 651 2HD2 LEU 78 HD22 LEU 78 22.183 1.790 7.196 652 3HD2 LEU 78 HD23 LEU 78 22.363 1.155 8.831 653 H GLU 79 HN GLU 79 24.324 -3.080 6.920 654 HA GLU 79 HA GLU 79 22.821 -5.485 7.128 655 1HB GLU 79 HB2 GLU 79 24.398 -6.076 8.906 656 2HB GLU 79 HB1 GLU 79 25.246 -5.421 7.512 657 1HG GLU 79 HG2 GLU 79 25.480 -3.278 8.637 658 2HG GLU 79 HG1 GLU 79 24.581 -3.896 10.022 659 H HIS 80 HN HIS 80 21.486 -6.211 8.765 660 HA HIS 80 HA HIS 80 21.008 -4.514 11.054 661 1HB HIS 80 HB2 HIS 80 18.592 -4.384 10.775 662 2HB HIS 80 HB1 HIS 80 19.404 -3.629 9.415 663 HD1 HIS 80 HD1 HIS 80 16.473 -5.237 9.858 664 HD2 HIS 80 HD2 HIS 80 19.704 -6.148 7.401 665 HE1 HIS 80 HE1 HIS 80 15.546 -6.677 8.023 666 HE2 HIS 80 HE2 HIS 80 17.547 -7.386 6.675 667 H HIS 81 HN HIS 81 21.687 -5.994 12.447 668 HA HIS 81 HA HIS 81 20.277 -8.590 12.470 669 1HB HIS 81 HB2 HIS 81 22.717 -8.688 11.793 670 2HB HIS 81 HB1 HIS 81 23.115 -8.104 13.403 671 HD1 HIS 81 HD1 HIS 81 22.698 -11.132 11.526 672 HD2 HIS 81 HD2 HIS 81 22.115 -10.001 15.491 673 HE1 HIS 81 HE1 HIS 81 22.674 -13.272 12.851 674 HE2 HIS 81 HE2 HIS 81 22.440 -12.561 15.257 675 H HIS 82 HN HIS 82 19.000 -8.747 14.191 676 HA HIS 82 HA HIS 82 19.342 -6.936 16.416 677 1HB HIS 82 HB2 HIS 82 17.240 -8.924 15.638 678 2HB HIS 82 HB1 HIS 82 17.293 -8.312 17.288 679 HD1 HIS 82 HD1 HIS 82 15.294 -7.719 14.619 680 HD2 HIS 82 HD2 HIS 82 17.797 -5.176 16.756 681 HE1 HIS 82 HE1 HIS 82 14.411 -5.401 14.219 682 HE2 HIS 82 HE2 HIS 82 16.069 -3.871 15.343 683 H HIS 83 HN HIS 83 20.908 -7.373 17.747 684 HA HIS 83 HA HIS 83 20.873 -9.913 19.175 685 1HB HIS 83 HB2 HIS 83 22.559 -10.154 17.357 686 2HB HIS 83 HB1 HIS 83 23.400 -8.740 17.980 687 HD1 HIS 83 HD1 HIS 83 25.361 -9.342 19.336 688 HD2 HIS 83 HD2 HIS 83 22.352 -12.206 19.609 689 HE1 HIS 83 HE1 HIS 83 26.271 -11.146 20.841 690 HE2 HIS 83 HE2 HIS 83 24.515 -12.961 20.808 691 H HIS 84 HN HIS 84 20.842 -9.462 21.281 692 HA HIS 84 HA HIS 84 21.102 -6.788 22.206 693 1HB HIS 84 HB2 HIS 84 20.837 -9.401 23.692 694 2HB HIS 84 HB1 HIS 84 20.889 -7.838 24.498 695 HD1 HIS 84 HD1 HIS 84 18.896 -6.143 23.790 696 HD2 HIS 84 HD2 HIS 84 18.359 -10.161 22.858 697 HE1 HIS 84 HE1 HIS 84 16.435 -6.415 23.338 698 HE2 HIS 84 HE2 HIS 84 16.110 -8.888 22.984 699 H HIS 85 HN HIS 85 22.985 -5.806 22.216 700 HA HIS 85 HA HIS 85 25.252 -7.207 23.460 701 1HB HIS 85 HB2 HIS 85 26.707 -5.559 22.186 702 2HB HIS 85 HB1 HIS 85 25.908 -6.790 21.222 703 HD1 HIS 85 HD1 HIS 85 25.952 -3.094 21.856 704 HD2 HIS 85 HD2 HIS 85 24.024 -5.838 19.392 705 HE1 HIS 85 HE1 HIS 85 24.826 -1.731 20.064 706 HE2 HIS 85 HE2 HIS 85 23.725 -3.411 18.543 Start of MODEL 19 1 1H MET 1 HT1 MET 1 -25.308 -1.476 8.468 2 2H MET 1 HT2 MET 1 -25.544 -2.883 7.545 3 3H MET 1 HT3 MET 1 -24.865 -1.505 6.833 4 HA MET 1 HA MET 1 -22.921 -1.681 8.197 5 1HB MET 1 HB2 MET 1 -24.055 -2.698 10.153 6 2HB MET 1 HB1 MET 1 -24.232 -4.198 9.255 7 1HG MET 1 HG2 MET 1 -21.813 -4.434 9.149 8 2HG MET 1 HG1 MET 1 -21.620 -2.917 10.026 9 1HE MET 1 HE1 MET 1 -20.075 -4.093 11.845 10 2HE MET 1 HE2 MET 1 -20.218 -5.595 10.933 11 3HE MET 1 HE3 MET 1 -20.516 -5.587 12.672 12 H HIS 2 HN HIS 2 -22.289 -1.795 6.027 13 HA HIS 2 HA HIS 2 -21.660 -4.507 5.116 14 1HB HIS 2 HB2 HIS 2 -23.858 -3.447 4.095 15 2HB HIS 2 HB1 HIS 2 -22.711 -2.562 3.095 16 HD1 HIS 2 HD1 HIS 2 -22.389 -3.674 0.908 17 HD2 HIS 2 HD2 HIS 2 -23.092 -6.423 3.953 18 HE1 HIS 2 HE1 HIS 2 -22.382 -5.933 -0.197 19 HE2 HIS 2 HE2 HIS 2 -23.007 -7.554 1.626 20 H LYS 3 HN LYS 3 -20.364 -1.949 6.173 21 HA LYS 3 HA LYS 3 -18.498 -1.441 3.958 22 1HB LYS 3 HB2 LYS 3 -18.947 0.098 6.527 23 2HB LYS 3 HB1 LYS 3 -17.756 0.513 5.299 24 1HG LYS 3 HG2 LYS 3 -19.564 0.850 3.677 25 2HG LYS 3 HG1 LYS 3 -20.743 0.460 4.931 26 1HD LYS 3 HD2 LYS 3 -19.938 2.368 6.257 27 2HD LYS 3 HD1 LYS 3 -18.800 2.770 4.967 28 1HE LYS 3 HE2 LYS 3 -20.716 3.041 3.424 29 2HE LYS 3 HE1 LYS 3 -21.807 2.740 4.776 30 1HZ LYS 3 HZ1 LYS 3 -20.997 4.705 5.871 31 2HZ LYS 3 HZ2 LYS 3 -21.495 5.113 4.304 32 3HZ LYS 3 HZ3 LYS 3 -19.844 4.965 4.653 33 H ASP 4 HN ASP 4 -16.298 -1.751 4.225 34 HA ASP 4 HA ASP 4 -15.401 -3.068 6.682 35 1HB ASP 4 HB2 ASP 4 -16.203 -4.843 5.126 36 2HB ASP 4 HB1 ASP 4 -15.055 -4.273 3.921 37 H ILE 5 HN ILE 5 -13.003 -3.303 6.707 38 HA ILE 5 HA ILE 5 -11.710 -0.979 5.641 39 HB ILE 5 HB ILE 5 -10.600 -3.390 7.090 40 1HG1 ILE 5 HG12 ILE 5 -12.064 -1.930 8.437 41 2HG1 ILE 5 HG11 ILE 5 -10.396 -1.867 8.991 42 1HG2 ILE 5 HG21 ILE 5 -8.883 -2.458 5.661 43 2HG2 ILE 5 HG22 ILE 5 -8.533 -2.091 7.350 44 3HG2 ILE 5 HG23 ILE 5 -9.200 -0.845 6.296 45 1HD1 ILE 5 HD11 ILE 5 -10.098 0.254 7.789 46 2HD1 ILE 5 HD12 ILE 5 -11.374 0.342 9.003 47 3HD1 ILE 5 HD13 ILE 5 -11.789 0.193 7.296 48 H PHE 6 HN PHE 6 -11.186 -0.847 3.570 49 HA PHE 6 HA PHE 6 -10.970 -2.989 1.774 50 1HB PHE 6 HB2 PHE 6 -11.364 -0.722 0.990 51 2HB PHE 6 HB1 PHE 6 -9.812 -0.193 1.628 52 HD1 PHE 6 HD2 PHE 6 -11.238 -2.670 -0.764 53 HD2 PHE 6 HD1 PHE 6 -8.015 -0.070 0.211 54 HE1 PHE 6 HE2 PHE 6 -10.170 -3.191 -2.917 55 HE2 PHE 6 HE1 PHE 6 -6.943 -0.585 -1.939 56 HZ PHE 6 HZ PHE 6 -8.020 -2.150 -3.506 57 H THR 7 HN THR 7 -9.545 -4.589 1.970 58 HA THR 7 HA THR 7 -6.758 -3.882 2.629 59 HB THR 7 HB THR 7 -8.102 -6.450 3.484 60 HG1 THR 7 HG1 THR 7 -8.838 -4.228 4.398 61 1HG2 THR 7 HG21 THR 7 -5.578 -5.060 4.402 62 2HG2 THR 7 HG22 THR 7 -5.654 -6.493 3.378 63 3HG2 THR 7 HG23 THR 7 -6.211 -6.573 5.049 64 H SER 8 HN SER 8 -5.414 -4.418 1.049 65 HA SER 8 HA SER 8 -5.669 -6.925 -0.361 66 1HB SER 8 HB2 SER 8 -7.166 -5.265 -1.592 67 2HB SER 8 HB1 SER 8 -5.699 -4.369 -1.985 68 HG SER 8 HG SER 8 -6.383 -7.025 -2.735 69 H VAL 9 HN VAL 9 -3.913 -6.094 -2.509 70 HA VAL 9 HA VAL 9 -1.524 -5.191 -1.050 71 HB VAL 9 HB VAL 9 -0.139 -6.822 -2.332 72 1HG1 VAL 9 HG11 VAL 9 -0.668 -8.770 -0.964 73 2HG1 VAL 9 HG12 VAL 9 -2.252 -8.087 -0.591 74 3HG1 VAL 9 HG13 VAL 9 -0.790 -7.285 -0.018 75 1HG2 VAL 9 HG21 VAL 9 -1.705 -7.230 -4.174 76 2HG2 VAL 9 HG22 VAL 9 -2.792 -8.061 -3.062 77 3HG2 VAL 9 HG23 VAL 9 -1.200 -8.736 -3.406 78 H VAL 10 HN VAL 10 -0.024 -4.042 -2.272 79 HA VAL 10 HA VAL 10 -0.975 -3.264 -4.948 80 HB VAL 10 HB VAL 10 -1.152 -1.439 -3.270 81 1HG1 VAL 10 HG11 VAL 10 1.854 -1.625 -3.157 82 2HG1 VAL 10 HG12 VAL 10 0.734 -2.018 -1.853 83 3HG1 VAL 10 HG13 VAL 10 0.870 -0.357 -2.428 84 1HG2 VAL 10 HG21 VAL 10 0.861 -0.965 -5.467 85 2HG2 VAL 10 HG22 VAL 10 -0.035 0.293 -4.613 86 3HG2 VAL 10 HG23 VAL 10 -0.895 -0.877 -5.614 87 H ARG 11 HN ARG 11 0.612 -2.849 -6.536 88 HA ARG 11 HA ARG 11 2.881 -4.632 -6.307 89 1HB ARG 11 HB2 ARG 11 2.082 -2.933 -8.676 90 2HB ARG 11 HB1 ARG 11 3.098 -4.368 -8.682 91 1HG ARG 11 HG2 ARG 11 0.167 -4.330 -7.983 92 2HG ARG 11 HG1 ARG 11 0.838 -4.803 -9.545 93 1HD ARG 11 HD2 ARG 11 1.843 -6.715 -8.665 94 2HD ARG 11 HD1 ARG 11 1.714 -6.127 -7.009 95 HE ARG 11 HE ARG 11 -0.844 -6.350 -7.577 96 1HH1 ARG 11 HH11 ARG 11 1.750 -8.534 -8.475 97 2HH1 ARG 11 HH12 ARG 11 0.755 -9.962 -8.359 98 1HH2 ARG 11 HH21 ARG 11 -2.155 -8.223 -7.437 99 2HH2 ARG 11 HH22 ARG 11 -1.462 -9.781 -7.786 100 H VAL 12 HN VAL 12 4.874 -3.992 -5.797 101 HA VAL 12 HA VAL 12 5.337 -1.105 -5.540 102 HB VAL 12 HB VAL 12 7.006 -3.288 -4.312 103 1HG1 VAL 12 HG11 VAL 12 6.575 -0.398 -3.586 104 2HG1 VAL 12 HG12 VAL 12 8.012 -1.081 -4.347 105 3HG1 VAL 12 HG13 VAL 12 7.586 -1.539 -2.699 106 1HG2 VAL 12 HG21 VAL 12 4.734 -3.669 -3.586 107 2HG2 VAL 12 HG22 VAL 12 4.556 -1.968 -3.161 108 3HG2 VAL 12 HG23 VAL 12 5.675 -2.990 -2.259 109 H ARG 13 HN ARG 13 6.580 -0.135 -6.976 110 HA ARG 13 HA ARG 13 8.799 -1.632 -8.192 111 1HB ARG 13 HB2 ARG 13 6.965 -1.625 -9.828 112 2HB ARG 13 HB1 ARG 13 6.874 0.128 -9.720 113 1HG ARG 13 HG2 ARG 13 9.187 0.272 -10.554 114 2HG ARG 13 HG1 ARG 13 9.200 -1.479 -10.746 115 1HD ARG 13 HD2 ARG 13 7.350 -1.314 -12.339 116 2HD ARG 13 HD1 ARG 13 7.338 0.441 -12.140 117 HE ARG 13 HE ARG 13 9.890 -0.065 -12.863 118 1HH1 ARG 13 HH11 ARG 13 6.793 -0.938 -14.262 119 2HH1 ARG 13 HH12 ARG 13 7.414 -1.033 -15.889 120 1HH2 ARG 13 HH21 ARG 13 10.701 -0.182 -14.985 121 2HH2 ARG 13 HH22 ARG 13 9.646 -0.615 -16.296 122 H GLY 14 HN GLY 14 10.509 -0.622 -7.398 123 1HA GLY 14 HA2 GLY 14 11.280 1.959 -8.025 124 2HA GLY 14 HA1 GLY 14 10.476 2.058 -6.463 125 H SER 15 HN SER 15 12.773 2.815 -5.975 126 HA SER 15 HA SER 15 14.794 0.779 -5.856 127 1HB SER 15 HB2 SER 15 15.330 3.182 -6.220 128 2HB SER 15 HB1 SER 15 14.782 3.526 -4.581 129 HG SER 15 HG SER 15 16.795 1.602 -5.104 130 H LYS 16 HN LYS 16 14.293 -0.862 -4.533 131 HA LYS 16 HA LYS 16 14.547 -0.576 -1.739 132 1HB LYS 16 HB2 LYS 16 12.198 -1.566 -1.243 133 2HB LYS 16 HB1 LYS 16 12.358 0.162 -1.478 134 1HG LYS 16 HG2 LYS 16 10.369 -0.789 -2.580 135 2HG LYS 16 HG1 LYS 16 11.466 0.003 -3.708 136 1HD LYS 16 HD2 LYS 16 12.317 -2.141 -4.441 137 2HD LYS 16 HD1 LYS 16 11.351 -2.975 -3.223 138 1HE LYS 16 HE2 LYS 16 9.336 -2.452 -4.315 139 2HE LYS 16 HE1 LYS 16 10.110 -1.249 -5.345 140 1HZ LYS 16 HZ1 LYS 16 9.582 -3.365 -6.481 141 2HZ LYS 16 HZ2 LYS 16 10.678 -4.163 -5.466 142 3HZ LYS 16 HZ3 LYS 16 11.229 -2.974 -6.539 143 H LYS 17 HN LYS 17 13.333 -2.866 -0.824 144 HA LYS 17 HA LYS 17 14.196 -4.981 -2.672 145 1HB LYS 17 HB2 LYS 17 14.669 -4.892 0.314 146 2HB LYS 17 HB1 LYS 17 14.965 -6.295 -0.704 147 1HG LYS 17 HG2 LYS 17 16.585 -4.925 -2.006 148 2HG LYS 17 HG1 LYS 17 16.367 -3.635 -0.821 149 1HD LYS 17 HD2 LYS 17 17.154 -5.106 0.949 150 2HD LYS 17 HD1 LYS 17 17.318 -6.432 -0.205 151 1HE LYS 17 HE2 LYS 17 18.948 -5.027 -1.469 152 2HE LYS 17 HE1 LYS 17 18.869 -3.851 -0.156 153 1HZ LYS 17 HZ1 LYS 17 19.719 -6.684 0.118 154 2HZ LYS 17 HZ2 LYS 17 19.667 -5.539 1.371 155 3HZ LYS 17 HZ3 LYS 17 20.756 -5.342 0.086 156 H TYR 18 HN TYR 18 11.878 -4.833 -3.178 157 HA TYR 18 HA TYR 18 10.396 -6.867 -1.817 158 1HB TYR 18 HB2 TYR 18 9.639 -3.998 -1.440 159 2HB TYR 18 HB1 TYR 18 8.353 -5.182 -1.639 160 HD1 TYR 18 HD1 TYR 18 8.687 -7.352 -0.112 161 HD2 TYR 18 HD2 TYR 18 10.285 -3.499 0.717 162 HE1 TYR 18 HE1 TYR 18 8.833 -7.934 2.270 163 HE2 TYR 18 HE2 TYR 18 10.437 -4.070 3.104 164 HH TYR 18 HH TYR 18 10.137 -7.225 4.274 165 H ASN 19 HN ASN 19 8.074 -6.972 -2.872 166 HA ASN 19 HA ASN 19 8.196 -6.011 -5.641 167 1HB ASN 19 HB2 ASN 19 8.904 -8.481 -5.339 168 2HB ASN 19 HB1 ASN 19 7.197 -8.773 -5.031 169 1HD2 ASN 19 HD21 ASN 19 5.715 -8.532 -6.726 170 2HD2 ASN 19 HD22 ASN 19 6.221 -8.435 -8.378 171 H VAL 20 HN VAL 20 6.190 -7.625 -3.245 172 HA VAL 20 HA VAL 20 3.987 -5.828 -3.991 173 HB VAL 20 HB VAL 20 2.368 -7.684 -3.489 174 1HG1 VAL 20 HG11 VAL 20 2.808 -7.033 -5.773 175 2HG1 VAL 20 HG12 VAL 20 2.630 -8.786 -5.682 176 3HG1 VAL 20 HG13 VAL 20 4.235 -8.068 -5.827 177 1HG2 VAL 20 HG21 VAL 20 3.153 -9.994 -3.625 178 2HG2 VAL 20 HG22 VAL 20 3.881 -9.158 -2.253 179 3HG2 VAL 20 HG23 VAL 20 4.819 -9.429 -3.721 180 H VAL 21 HN VAL 21 2.962 -4.886 -2.313 181 HA VAL 21 HA VAL 21 3.658 -5.832 0.387 182 HB VAL 21 HB VAL 21 4.950 -3.772 -0.441 183 1HG1 VAL 21 HG11 VAL 21 3.833 -1.617 -0.205 184 2HG1 VAL 21 HG12 VAL 21 2.297 -2.444 0.056 185 3HG1 VAL 21 HG13 VAL 21 3.127 -2.587 -1.494 186 1HG2 VAL 21 HG21 VAL 21 4.853 -2.676 1.739 187 2HG2 VAL 21 HG22 VAL 21 4.911 -4.432 1.885 188 3HG2 VAL 21 HG23 VAL 21 3.386 -3.578 2.122 189 HA PRO 22 HA PRO 22 -0.733 -5.672 1.005 190 1HB PRO 22 HB2 PRO 22 -0.806 -5.630 3.720 191 2HB PRO 22 HB1 PRO 22 -0.443 -7.085 2.787 192 1HG PRO 22 HG2 PRO 22 1.419 -5.208 4.179 193 2HG PRO 22 HG1 PRO 22 1.467 -6.977 4.093 194 1HD PRO 22 HD2 PRO 22 3.036 -5.373 2.561 195 2HD PRO 22 HD1 PRO 22 2.480 -6.974 2.029 196 H VAL 23 HN VAL 23 -2.243 -4.147 1.160 197 HA VAL 23 HA VAL 23 -1.583 -1.585 2.415 198 HB VAL 23 HB VAL 23 -1.044 -1.469 -0.014 199 1HG1 VAL 23 HG11 VAL 23 -2.703 -3.034 -0.854 200 2HG1 VAL 23 HG12 VAL 23 -2.851 -1.470 -1.657 201 3HG1 VAL 23 HG13 VAL 23 -3.998 -1.928 -0.398 202 1HG2 VAL 23 HG21 VAL 23 -2.260 0.598 -0.471 203 2HG2 VAL 23 HG22 VAL 23 -1.665 0.543 1.188 204 3HG2 VAL 23 HG23 VAL 23 -3.370 0.237 0.850 205 H LYS 24 HN LYS 24 -3.431 -0.387 3.091 206 HA LYS 24 HA LYS 24 -6.000 -1.730 2.907 207 1HB LYS 24 HB2 LYS 24 -6.214 -1.580 5.458 208 2HB LYS 24 HB1 LYS 24 -5.242 -2.884 4.795 209 1HG LYS 24 HG2 LYS 24 -3.886 -2.177 6.482 210 2HG LYS 24 HG1 LYS 24 -3.277 -1.184 5.160 211 1HD LYS 24 HD2 LYS 24 -3.512 0.251 7.035 212 2HD LYS 24 HD1 LYS 24 -4.851 0.624 5.945 213 1HE LYS 24 HE2 LYS 24 -6.388 -0.591 7.296 214 2HE LYS 24 HE1 LYS 24 -5.088 -1.274 8.272 215 1HZ LYS 24 HZ1 LYS 24 -4.572 1.030 8.993 216 2HZ LYS 24 HZ2 LYS 24 -6.085 0.471 9.506 217 3HZ LYS 24 HZ3 LYS 24 -5.979 1.555 8.209 218 H SER 25 HN SER 25 -7.589 -0.425 4.466 219 HA SER 25 HA SER 25 -7.225 2.384 3.682 220 1HB SER 25 HB2 SER 25 -9.666 2.553 3.697 221 2HB SER 25 HB1 SER 25 -9.153 1.247 2.635 222 HG SER 25 HG SER 25 -10.614 1.175 4.961 223 H ASN 26 HN ASN 26 -7.038 3.850 5.188 224 HA ASN 26 HA ASN 26 -6.846 3.370 7.918 225 1HB ASN 26 HB2 ASN 26 -5.885 5.365 7.202 226 2HB ASN 26 HB1 ASN 26 -7.273 5.799 6.216 227 1HD2 ASN 26 HD21 ASN 26 -7.594 7.782 6.968 228 2HD2 ASN 26 HD22 ASN 26 -8.118 8.141 8.584 229 H LYS 27 HN LYS 27 -9.606 4.232 5.949 230 HA LYS 27 HA LYS 27 -11.311 4.223 8.345 231 1HB LYS 27 HB2 LYS 27 -10.894 6.454 7.250 232 2HB LYS 27 HB1 LYS 27 -11.688 5.833 5.819 233 1HG LYS 27 HG2 LYS 27 -13.776 5.668 6.969 234 2HG LYS 27 HG1 LYS 27 -13.004 6.069 8.507 235 1HD LYS 27 HD2 LYS 27 -13.173 7.870 6.089 236 2HD LYS 27 HD1 LYS 27 -14.139 8.021 7.559 237 1HE LYS 27 HE2 LYS 27 -12.231 8.555 8.865 238 2HE LYS 27 HE1 LYS 27 -11.129 8.093 7.569 239 1HZ LYS 27 HZ1 LYS 27 -13.025 10.376 7.416 240 2HZ LYS 27 HZ2 LYS 27 -11.809 9.979 6.297 241 3HZ LYS 27 HZ3 LYS 27 -11.391 10.518 7.849 242 HA PRO 28 HA PRO 28 -13.429 0.814 6.444 243 1HB PRO 28 HB2 PRO 28 -15.962 1.330 7.449 244 2HB PRO 28 HB1 PRO 28 -14.692 0.450 8.305 245 1HG PRO 28 HG2 PRO 28 -15.527 3.306 8.558 246 2HG PRO 28 HG1 PRO 28 -15.012 2.169 9.817 247 1HD PRO 28 HD2 PRO 28 -13.370 4.084 8.880 248 2HD PRO 28 HD1 PRO 28 -12.763 2.483 9.358 249 H VAL 29 HN VAL 29 -14.140 0.625 4.441 250 HA VAL 29 HA VAL 29 -15.677 2.857 3.286 251 HB VAL 29 HB VAL 29 -13.340 2.910 2.537 252 1HG1 VAL 29 HG11 VAL 29 -12.780 0.572 2.774 253 2HG1 VAL 29 HG12 VAL 29 -12.433 1.117 1.133 254 3HG1 VAL 29 HG13 VAL 29 -13.873 0.149 1.455 255 1HG2 VAL 29 HG21 VAL 29 -15.051 3.697 0.999 256 2HG2 VAL 29 HG22 VAL 29 -15.238 2.069 0.350 257 3HG2 VAL 29 HG23 VAL 29 -13.721 2.941 0.121 258 H GLU 30 HN GLU 30 -17.034 2.289 1.478 259 HA GLU 30 HA GLU 30 -18.573 -0.039 1.913 260 1HB GLU 30 HB2 GLU 30 -18.547 1.716 -0.542 261 2HB GLU 30 HB1 GLU 30 -19.859 0.685 0.007 262 1HG GLU 30 HG2 GLU 30 -20.283 2.089 1.881 263 2HG GLU 30 HG1 GLU 30 -18.821 3.030 1.575 264 H ILE 31 HN ILE 31 -18.297 -2.054 1.153 265 HA ILE 31 HA ILE 31 -16.155 -2.673 -0.637 266 HB ILE 31 HB ILE 31 -16.985 -5.002 -0.526 267 1HG1 ILE 31 HG12 ILE 31 -19.119 -3.836 1.280 268 2HG1 ILE 31 HG11 ILE 31 -19.391 -4.504 -0.325 269 1HG2 ILE 31 HG21 ILE 31 -16.707 -3.589 2.123 270 2HG2 ILE 31 HG22 ILE 31 -15.395 -4.191 1.110 271 3HG2 ILE 31 HG23 ILE 31 -16.516 -5.324 1.865 272 1HD1 ILE 31 HD11 ILE 31 -20.025 -6.084 1.396 273 2HD1 ILE 31 HD12 ILE 31 -18.399 -6.020 2.077 274 3HD1 ILE 31 HD13 ILE 31 -18.657 -6.695 0.468 275 H SER 32 HN SER 32 -19.246 -1.548 -1.137 276 HA SER 32 HA SER 32 -20.054 -2.818 -3.491 277 1HB SER 32 HB2 SER 32 -21.520 -1.317 -2.247 278 2HB SER 32 HB1 SER 32 -20.455 0.047 -2.580 279 HG SER 32 HG SER 32 -21.456 -1.387 -4.767 280 H LYS 33 HN LYS 33 -17.653 -0.355 -2.878 281 HA LYS 33 HA LYS 33 -17.147 -0.116 -5.766 282 1HB LYS 33 HB2 LYS 33 -16.476 1.714 -3.459 283 2HB LYS 33 HB1 LYS 33 -15.796 1.921 -5.067 284 1HG LYS 33 HG2 LYS 33 -18.070 2.169 -5.979 285 2HG LYS 33 HG1 LYS 33 -18.724 2.016 -4.347 286 1HD LYS 33 HD2 LYS 33 -16.694 4.118 -5.051 287 2HD LYS 33 HD1 LYS 33 -18.421 4.376 -5.300 288 1HE LYS 33 HE2 LYS 33 -17.271 3.537 -2.649 289 2HE LYS 33 HE1 LYS 33 -17.427 5.229 -3.121 290 1HZ LYS 33 HZ1 LYS 33 -19.322 4.442 -1.794 291 2HZ LYS 33 HZ2 LYS 33 -19.685 3.294 -2.987 292 3HZ LYS 33 HZ3 LYS 33 -19.799 4.946 -3.342 293 H TRP 34 HN TRP 34 -16.257 -2.166 -3.640 294 HA TRP 34 HA TRP 34 -13.522 -1.952 -3.119 295 1HB TRP 34 HB2 TRP 34 -15.181 -3.607 -2.150 296 2HB TRP 34 HB1 TRP 34 -15.015 -4.528 -3.638 297 HD1 TRP 34 HD1 TRP 34 -13.236 -3.749 -0.379 298 HE1 TRP 34 HE1 TRP 34 -11.216 -5.321 -0.121 299 HE3 TRP 34 HE3 TRP 34 -13.234 -5.840 -5.049 300 HZ2 TRP 34 HZ2 TRP 34 -9.808 -7.195 -1.693 301 HZ3 TRP 34 HZ3 TRP 34 -11.518 -7.514 -5.587 302 HH2 TRP 34 HH2 TRP 34 -9.840 -8.177 -3.943 303 H ILE 35 HN ILE 35 -15.242 -3.125 -5.934 304 HA ILE 35 HA ILE 35 -13.086 -4.377 -7.257 305 HB ILE 35 HB ILE 35 -15.535 -3.107 -8.500 306 1HG1 ILE 35 HG12 ILE 35 -15.107 -5.955 -7.564 307 2HG1 ILE 35 HG11 ILE 35 -16.088 -4.753 -6.729 308 1HG2 ILE 35 HG21 ILE 35 -15.155 -4.701 -10.326 309 2HG2 ILE 35 HG22 ILE 35 -13.685 -5.257 -9.527 310 3HG2 ILE 35 HG23 ILE 35 -13.790 -3.602 -10.125 311 1HD1 ILE 35 HD11 ILE 35 -17.473 -6.280 -8.001 312 2HD1 ILE 35 HD12 ILE 35 -16.608 -5.861 -9.480 313 3HD1 ILE 35 HD13 ILE 35 -17.586 -4.648 -8.657 314 H ASP 36 HN ASP 36 -14.310 -1.066 -7.293 315 HA ASP 36 HA ASP 36 -12.684 -0.228 -9.483 316 1HB ASP 36 HB2 ASP 36 -14.827 0.873 -8.798 317 2HB ASP 36 HB1 ASP 36 -13.999 1.500 -7.379 318 H PHE 37 HN PHE 37 -12.458 0.032 -5.967 319 HA PHE 37 HA PHE 37 -10.118 1.542 -5.770 320 1HB PHE 37 HB2 PHE 37 -11.396 -0.513 -3.997 321 2HB PHE 37 HB1 PHE 37 -9.819 0.142 -3.583 322 HD1 PHE 37 HD1 PHE 37 -13.260 1.264 -4.482 323 HD2 PHE 37 HD2 PHE 37 -9.695 2.027 -2.290 324 HE1 PHE 37 HE1 PHE 37 -14.350 3.175 -3.382 325 HE2 PHE 37 HE2 PHE 37 -10.776 3.940 -1.188 326 HZ PHE 37 HZ PHE 37 -13.107 4.509 -1.731 327 H SER 38 HN SER 38 -10.520 -1.980 -6.033 328 HA SER 38 HA SER 38 -7.757 -2.558 -5.747 329 1HB SER 38 HB2 SER 38 -8.531 -4.817 -6.770 330 2HB SER 38 HB1 SER 38 -9.159 -4.339 -5.191 331 HG SER 38 HG SER 38 -11.091 -3.959 -6.046 332 H ASN 39 HN ASN 39 -9.782 -1.783 -8.487 333 HA ASN 39 HA ASN 39 -7.880 -2.557 -10.468 334 1HB ASN 39 HB2 ASN 39 -10.430 -1.034 -10.475 335 2HB ASN 39 HB1 ASN 39 -9.326 -0.761 -11.821 336 1HD2 ASN 39 HD21 ASN 39 -11.391 -3.051 -10.224 337 2HD2 ASN 39 HD22 ASN 39 -11.371 -4.237 -11.487 338 H VAL 40 HN VAL 40 -8.321 0.261 -8.493 339 HA VAL 40 HA VAL 40 -6.573 1.959 -9.982 340 HB VAL 40 HB VAL 40 -7.248 2.070 -7.034 341 1HG1 VAL 40 HG11 VAL 40 -5.233 3.326 -7.560 342 2HG1 VAL 40 HG12 VAL 40 -6.564 4.425 -7.201 343 3HG1 VAL 40 HG13 VAL 40 -6.073 4.152 -8.873 344 1HG2 VAL 40 HG21 VAL 40 -9.246 2.227 -8.418 345 2HG2 VAL 40 HG22 VAL 40 -8.496 3.507 -9.374 346 3HG2 VAL 40 HG23 VAL 40 -8.877 3.785 -7.674 347 H LEU 41 HN LEU 41 -6.154 -0.241 -7.234 348 HA LEU 41 HA LEU 41 -3.482 0.347 -6.662 349 1HB LEU 41 HB2 LEU 41 -4.970 -2.257 -6.346 350 2HB LEU 41 HB1 LEU 41 -3.394 -1.927 -5.655 351 HG LEU 41 HG LEU 41 -5.972 -0.519 -4.959 352 1HD1 LEU 41 HD11 LEU 41 -5.668 -1.600 -2.788 353 2HD1 LEU 41 HD12 LEU 41 -4.238 -2.430 -3.403 354 3HD1 LEU 41 HD13 LEU 41 -5.825 -2.785 -4.085 355 1HD2 LEU 41 HD21 LEU 41 -4.067 1.009 -4.839 356 2HD2 LEU 41 HD22 LEU 41 -3.193 -0.151 -3.838 357 3HD2 LEU 41 HD23 LEU 41 -4.664 0.608 -3.229 358 H SER 42 HN SER 42 -4.881 -1.997 -8.918 359 HA SER 42 HA SER 42 -2.332 -3.088 -9.657 360 1HB SER 42 HB2 SER 42 -3.801 -4.184 -11.487 361 2HB SER 42 HB1 SER 42 -4.100 -4.624 -9.806 362 HG SER 42 HG SER 42 -5.992 -3.675 -9.879 363 H ARG 43 HN ARG 43 -3.598 -0.182 -10.260 364 HA ARG 43 HA ARG 43 -2.537 -0.020 -13.000 365 1HB ARG 43 HB2 ARG 43 -4.921 0.599 -12.665 366 2HB ARG 43 HB1 ARG 43 -4.409 1.865 -11.561 367 1HG ARG 43 HG2 ARG 43 -3.223 2.975 -13.385 368 2HG ARG 43 HG1 ARG 43 -3.737 1.697 -14.489 369 1HD ARG 43 HD2 ARG 43 -5.168 3.656 -14.697 370 2HD ARG 43 HD1 ARG 43 -6.071 2.274 -14.075 371 HE ARG 43 HE ARG 43 -5.000 4.283 -12.211 372 1HH1 ARG 43 HH11 ARG 43 -7.759 2.656 -13.655 373 2HH1 ARG 43 HH12 ARG 43 -8.889 3.304 -12.501 374 1HH2 ARG 43 HH21 ARG 43 -6.499 5.156 -10.742 375 2HH2 ARG 43 HH22 ARG 43 -8.189 4.770 -10.894 376 H LEU 44 HN LEU 44 -1.965 0.809 -9.775 377 HA LEU 44 HA LEU 44 -0.685 3.321 -10.173 378 1HB LEU 44 HB2 LEU 44 -0.608 1.429 -7.834 379 2HB LEU 44 HB1 LEU 44 0.079 3.041 -7.828 380 HG LEU 44 HG LEU 44 -2.848 2.377 -8.157 381 1HD1 LEU 44 HD11 LEU 44 -2.002 1.991 -5.891 382 2HD1 LEU 44 HD12 LEU 44 -3.103 3.366 -5.955 383 3HD1 LEU 44 HD13 LEU 44 -1.364 3.636 -5.856 384 1HD2 LEU 44 HD21 LEU 44 -2.232 4.382 -9.402 385 2HD2 LEU 44 HD22 LEU 44 -1.451 5.045 -7.968 386 3HD2 LEU 44 HD23 LEU 44 -3.197 4.794 -7.984 387 H TYR 45 HN TYR 45 0.704 0.343 -8.914 388 HA TYR 45 HA TYR 45 2.815 -0.469 -8.878 389 1HB TYR 45 HB2 TYR 45 2.672 0.648 -11.664 390 2HB TYR 45 HB1 TYR 45 4.166 -0.066 -11.063 391 HD1 TYR 45 HD1 TYR 45 0.555 -0.802 -11.632 392 HD2 TYR 45 HD2 TYR 45 4.466 -2.383 -11.078 393 HE1 TYR 45 HE1 TYR 45 -0.276 -3.047 -12.198 394 HE2 TYR 45 HE2 TYR 45 3.647 -4.628 -11.641 395 HH TYR 45 HH TYR 45 0.494 -5.170 -12.954 396 H VAL 46 HN VAL 46 3.322 0.900 -7.152 397 HA VAL 46 HA VAL 46 5.145 3.107 -7.844 398 HB VAL 46 HB VAL 46 3.052 4.055 -7.014 399 1HG1 VAL 46 HG11 VAL 46 3.497 2.353 -4.570 400 2HG1 VAL 46 HG12 VAL 46 2.208 2.169 -5.758 401 3HG1 VAL 46 HG13 VAL 46 2.263 3.603 -4.731 402 1HG2 VAL 46 HG21 VAL 46 5.089 5.220 -6.419 403 2HG2 VAL 46 HG22 VAL 46 5.263 4.227 -4.975 404 3HG2 VAL 46 HG23 VAL 46 3.912 5.353 -5.112 405 H GLY 47 HN GLY 47 7.009 3.284 -6.547 406 1HA GLY 47 HA2 GLY 47 7.359 1.162 -4.531 407 2HA GLY 47 HA1 GLY 47 8.492 1.271 -5.866 408 H VAL 48 HN VAL 48 7.342 2.761 -2.956 409 HA VAL 48 HA VAL 48 9.863 4.280 -2.809 410 HB VAL 48 HB VAL 48 7.177 5.240 -1.793 411 1HG1 VAL 48 HG11 VAL 48 8.361 7.322 -1.270 412 2HG1 VAL 48 HG12 VAL 48 9.880 6.581 -1.774 413 3HG1 VAL 48 HG13 VAL 48 9.016 5.957 -0.367 414 1HG2 VAL 48 HG21 VAL 48 8.847 6.221 -4.103 415 2HG2 VAL 48 HG22 VAL 48 7.389 7.003 -3.492 416 3HG2 VAL 48 HG23 VAL 48 7.293 5.394 -4.211 417 HA PRO 49 HA PRO 49 10.280 1.788 0.926 418 1HB PRO 49 HB2 PRO 49 12.423 3.278 1.875 419 2HB PRO 49 HB1 PRO 49 12.553 1.885 0.798 420 1HG PRO 49 HG2 PRO 49 12.597 4.800 0.148 421 2HG PRO 49 HG1 PRO 49 13.547 3.477 -0.553 422 1HD PRO 49 HD2 PRO 49 11.455 4.531 -1.847 423 2HD PRO 49 HD1 PRO 49 11.814 2.794 -1.935 424 H THR 50 HN THR 50 8.748 2.168 2.400 425 HA THR 50 HA THR 50 8.739 4.738 3.806 426 HB THR 50 HB THR 50 6.137 4.418 3.745 427 HG1 THR 50 HG1 THR 50 6.855 3.221 1.265 428 1HG2 THR 50 HG21 THR 50 7.661 5.412 1.332 429 2HG2 THR 50 HG22 THR 50 7.344 6.340 2.798 430 3HG2 THR 50 HG23 THR 50 6.006 5.844 1.761 431 H LYS 51 HN LYS 51 7.165 4.607 5.732 432 HA LYS 51 HA LYS 51 7.718 2.099 7.147 433 1HB LYS 51 HB2 LYS 51 6.869 4.786 8.252 434 2HB LYS 51 HB1 LYS 51 7.324 3.378 9.199 435 1HG LYS 51 HG2 LYS 51 9.595 3.503 8.230 436 2HG LYS 51 HG1 LYS 51 9.116 4.978 7.383 437 1HD LYS 51 HD2 LYS 51 8.597 6.022 9.558 438 2HD LYS 51 HD1 LYS 51 9.155 4.561 10.373 439 1HE LYS 51 HE2 LYS 51 10.919 6.184 10.425 440 2HE LYS 51 HE1 LYS 51 11.381 4.894 9.317 441 1HZ LYS 51 HZ1 LYS 51 11.838 7.197 8.522 442 2HZ LYS 51 HZ2 LYS 51 10.162 7.453 8.428 443 3HZ LYS 51 HZ3 LYS 51 10.898 6.270 7.461 444 H SER 52 HN SER 52 5.917 1.784 8.987 445 HA SER 52 HA SER 52 3.554 1.043 7.597 446 1HB SER 52 HB2 SER 52 2.791 0.643 10.091 447 2HB SER 52 HB1 SER 52 4.017 -0.391 9.358 448 HG SER 52 HG SER 52 4.251 1.522 11.361 449 H GLY 53 HN GLY 53 1.700 2.114 7.302 450 1HA GLY 53 HA2 GLY 53 -0.028 3.618 7.891 451 2HA GLY 53 HA1 GLY 53 1.071 4.400 9.022 452 H ASN 54 HN ASN 54 2.029 3.598 5.784 453 HA ASN 54 HA ASN 54 2.438 6.434 5.245 454 1HB ASN 54 HB2 ASN 54 3.703 5.726 3.283 455 2HB ASN 54 HB1 ASN 54 4.270 4.868 4.708 456 1HD2 ASN 54 HD21 ASN 54 4.050 2.667 4.819 457 2HD2 ASN 54 HD22 ASN 54 3.532 1.707 3.475 458 H VAL 55 HN VAL 55 1.253 7.626 3.890 459 HA VAL 55 HA VAL 55 -1.179 6.415 2.856 460 HB VAL 55 HB VAL 55 -0.357 9.323 2.771 461 1HG1 VAL 55 HG11 VAL 55 -2.783 9.709 2.523 462 2HG1 VAL 55 HG12 VAL 55 -3.022 7.966 2.421 463 3HG1 VAL 55 HG13 VAL 55 -2.090 8.800 1.180 464 1HG2 VAL 55 HG21 VAL 55 -0.428 8.559 5.081 465 2HG2 VAL 55 HG22 VAL 55 -2.044 7.899 4.824 466 3HG2 VAL 55 HG23 VAL 55 -1.777 9.640 4.732 467 H VAL 56 HN VAL 56 -1.028 5.496 0.911 468 HA VAL 56 HA VAL 56 0.788 6.442 -1.119 469 HB VAL 56 HB VAL 56 -1.469 4.443 -1.390 470 1HG1 VAL 56 HG11 VAL 56 -0.670 5.327 -3.520 471 2HG1 VAL 56 HG12 VAL 56 -0.217 3.633 -3.329 472 3HG1 VAL 56 HG13 VAL 56 0.984 4.901 -3.088 473 1HG2 VAL 56 HG21 VAL 56 0.252 2.715 -1.079 474 2HG2 VAL 56 HG22 VAL 56 0.073 3.730 0.353 475 3HG2 VAL 56 HG23 VAL 56 1.441 3.971 -0.734 476 H CYS 57 HN CYS 57 -2.747 6.001 -1.112 477 HA CYS 57 HA CYS 57 -2.968 8.223 -3.010 478 1HB CYS 57 HB2 CYS 57 -5.013 6.138 -2.213 479 2HB CYS 57 HB1 CYS 57 -5.236 7.374 -3.446 480 HG CYS 57 HG CYS 57 -3.769 6.279 -5.348 481 H LYS 58 HN LYS 58 -3.437 10.149 -2.207 482 HA LYS 58 HA LYS 58 -4.521 10.435 0.465 483 1HB LYS 58 HB2 LYS 58 -4.269 12.821 -1.284 484 2HB LYS 58 HB1 LYS 58 -3.788 12.603 0.390 485 1HG LYS 58 HG2 LYS 58 -2.277 11.436 -1.930 486 2HG LYS 58 HG1 LYS 58 -1.927 13.015 -1.233 487 1HD LYS 58 HD2 LYS 58 -1.535 11.913 0.952 488 2HD LYS 58 HD1 LYS 58 -1.791 10.349 0.174 489 1HE LYS 58 HE2 LYS 58 0.091 10.755 -1.309 490 2HE LYS 58 HE1 LYS 58 0.330 12.349 -0.598 491 1HZ LYS 58 HZ1 LYS 58 0.746 11.215 1.548 492 2HZ LYS 58 HZ2 LYS 58 1.892 10.849 0.348 493 3HZ LYS 58 HZ3 LYS 58 0.687 9.725 0.734 494 H ASN 59 HN ASN 59 -6.682 10.023 0.604 495 HA ASN 59 HA ASN 59 -8.924 10.029 0.155 496 1HB ASN 59 HB2 ASN 59 -8.581 12.447 0.673 497 2HB ASN 59 HB1 ASN 59 -8.329 12.753 -1.042 498 1HD2 ASN 59 HD21 ASN 59 -10.096 14.185 -1.063 499 2HD2 ASN 59 HD22 ASN 59 -11.728 13.597 -1.026 500 H ILE 60 HN ILE 60 -8.225 8.329 -1.357 501 HA ILE 60 HA ILE 60 -7.747 8.798 -4.077 502 HB ILE 60 HB ILE 60 -7.031 6.740 -3.065 503 1HG1 ILE 60 HG12 ILE 60 -9.206 6.120 -5.079 504 2HG1 ILE 60 HG11 ILE 60 -7.589 6.688 -5.483 505 1HG2 ILE 60 HG21 ILE 60 -8.609 5.003 -2.344 506 2HG2 ILE 60 HG22 ILE 60 -9.945 6.119 -2.627 507 3HG2 ILE 60 HG23 ILE 60 -8.744 6.477 -1.385 508 1HD1 ILE 60 HD11 ILE 60 -8.253 4.096 -4.100 509 2HD1 ILE 60 HD12 ILE 60 -6.634 4.663 -4.509 510 3HD1 ILE 60 HD13 ILE 60 -7.786 4.287 -5.789 511 H MET 61 HN MET 61 -9.110 9.761 -5.397 512 HA MET 61 HA MET 61 -10.906 10.122 -6.728 513 1HB MET 61 HB2 MET 61 -11.803 7.420 -5.705 514 2HB MET 61 HB1 MET 61 -12.555 8.291 -7.036 515 1HG MET 61 HG2 MET 61 -10.465 8.177 -8.296 516 2HG MET 61 HG1 MET 61 -9.709 7.310 -6.961 517 1HE MET 61 HE1 MET 61 -10.406 4.859 -6.202 518 2HE MET 61 HE2 MET 61 -11.726 3.949 -6.937 519 3HE MET 61 HE3 MET 61 -12.072 5.406 -6.005 520 H ASN 62 HN ASN 62 -10.881 10.916 -3.875 521 HA ASN 62 HA ASN 62 -12.183 12.073 -2.431 522 1HB ASN 62 HB2 ASN 62 -14.176 12.045 -4.709 523 2HB ASN 62 HB1 ASN 62 -14.326 13.022 -3.253 524 1HD2 ASN 62 HD21 ASN 62 -12.926 14.756 -2.940 525 2HD2 ASN 62 HD22 ASN 62 -12.022 15.445 -4.246 526 H THR 63 HN THR 63 -12.259 10.296 -1.043 527 HA THR 63 HA THR 63 -14.901 9.017 -0.863 528 HB THR 63 HB THR 63 -13.748 6.929 -0.109 529 HG1 THR 63 HG1 THR 63 -11.384 7.619 -1.346 530 1HG2 THR 63 HG21 THR 63 -13.061 6.212 -2.352 531 2HG2 THR 63 HG22 THR 63 -13.032 7.892 -2.878 532 3HG2 THR 63 HG23 THR 63 -14.559 7.141 -2.409 533 H GLY 64 HN GLY 64 -12.269 10.581 0.724 534 1HA GLY 64 HA2 GLY 64 -12.211 11.354 2.926 535 2HA GLY 64 HA1 GLY 64 -13.596 10.334 3.300 536 H VAL 65 HN VAL 65 -11.355 8.593 1.579 537 HA VAL 65 HA VAL 65 -10.140 7.495 4.036 538 HB VAL 65 HB VAL 65 -10.694 6.044 1.430 539 1HG1 VAL 65 HG11 VAL 65 -9.962 4.047 2.574 540 2HG1 VAL 65 HG12 VAL 65 -9.664 4.970 4.046 541 3HG1 VAL 65 HG13 VAL 65 -8.685 5.264 2.610 542 1HG2 VAL 65 HG21 VAL 65 -12.232 4.674 2.904 543 2HG2 VAL 65 HG22 VAL 65 -12.787 6.289 2.463 544 3HG2 VAL 65 HG23 VAL 65 -12.120 5.994 4.065 545 H ASP 66 HN ASP 66 -8.019 7.696 4.168 546 HA ASP 66 HA ASP 66 -6.438 8.114 1.752 547 1HB ASP 66 HB2 ASP 66 -4.553 8.405 3.440 548 2HB ASP 66 HB1 ASP 66 -5.828 9.615 3.499 549 H ILE 67 HN ILE 67 -5.330 6.530 0.837 550 HA ILE 67 HA ILE 67 -5.663 3.854 1.904 551 HB ILE 67 HB ILE 67 -4.399 4.807 -0.674 552 1HG1 ILE 67 HG12 ILE 67 -6.803 5.224 -0.569 553 2HG1 ILE 67 HG11 ILE 67 -6.456 3.933 -1.714 554 1HG2 ILE 67 HG21 ILE 67 -5.045 2.009 0.233 555 2HG2 ILE 67 HG22 ILE 67 -3.437 2.685 -0.027 556 3HG2 ILE 67 HG23 ILE 67 -4.532 2.460 -1.392 557 1HD1 ILE 67 HD11 ILE 67 -7.126 2.277 -0.056 558 2HD1 ILE 67 HD12 ILE 67 -8.420 3.432 -0.374 559 3HD1 ILE 67 HD13 ILE 67 -7.461 3.568 1.099 560 H ILE 68 HN ILE 68 -4.255 3.066 3.318 561 HA ILE 68 HA ILE 68 -1.501 4.086 3.211 562 HB ILE 68 HB ILE 68 -1.403 3.736 5.671 563 1HG1 ILE 68 HG12 ILE 68 -4.399 3.407 5.423 564 2HG1 ILE 68 HG11 ILE 68 -3.269 2.130 5.858 565 1HG2 ILE 68 HG21 ILE 68 -2.701 5.752 6.242 566 2HG2 ILE 68 HG22 ILE 68 -3.479 5.670 4.662 567 3HG2 ILE 68 HG23 ILE 68 -1.742 5.952 4.775 568 1HD1 ILE 68 HD11 ILE 68 -2.654 3.362 7.869 569 2HD1 ILE 68 HD12 ILE 68 -4.382 3.012 7.818 570 3HD1 ILE 68 HD13 ILE 68 -3.799 4.632 7.435 571 H CYS 69 HN CYS 69 0.142 2.703 3.275 572 HA CYS 69 HA CYS 69 -0.438 -0.153 3.431 573 1HB CYS 69 HB2 CYS 69 1.041 0.570 1.631 574 2HB CYS 69 HB1 CYS 69 2.120 1.338 2.792 575 HG CYS 69 HG CYS 69 1.552 -2.024 2.491 576 H THR 70 HN THR 70 0.552 -1.510 5.005 577 HA THR 70 HA THR 70 1.285 0.011 7.421 578 HB THR 70 HB THR 70 -0.942 -1.070 7.550 579 HG1 THR 70 HG1 THR 70 -0.634 -1.757 9.595 580 1HG2 THR 70 HG21 THR 70 -1.104 -3.517 7.705 581 2HG2 THR 70 HG22 THR 70 0.606 -3.653 7.293 582 3HG2 THR 70 HG23 THR 70 -0.536 -3.000 6.116 583 H LYS 71 HN LYS 71 2.551 -2.003 5.131 584 HA LYS 71 HA LYS 71 4.346 -3.350 7.016 585 1HB LYS 71 HB2 LYS 71 3.308 -4.630 5.092 586 2HB LYS 71 HB1 LYS 71 4.275 -3.645 4.004 587 1HG LYS 71 HG2 LYS 71 6.318 -4.489 5.063 588 2HG LYS 71 HG1 LYS 71 5.338 -5.488 6.136 589 1HD LYS 71 HD2 LYS 71 4.420 -6.652 4.164 590 2HD LYS 71 HD1 LYS 71 5.473 -5.685 3.129 591 1HE LYS 71 HE2 LYS 71 6.505 -7.815 3.481 592 2HE LYS 71 HE1 LYS 71 7.427 -6.597 4.360 593 1HZ LYS 71 HZ1 LYS 71 7.155 -8.530 5.724 594 2HZ LYS 71 HZ2 LYS 71 5.472 -8.519 5.507 595 3HZ LYS 71 HZ3 LYS 71 6.219 -7.280 6.391 596 H ASN 72 HN ASN 72 6.637 -3.082 6.796 597 HA ASN 72 HA ASN 72 7.262 -0.338 5.997 598 1HB ASN 72 HB2 ASN 72 8.726 -2.271 7.806 599 2HB ASN 72 HB1 ASN 72 9.335 -0.679 7.381 600 1HD2 ASN 72 HD21 ASN 72 5.960 -1.427 8.010 601 2HD2 ASN 72 HD22 ASN 72 5.829 -0.502 9.465 602 H LEU 73 HN LEU 73 8.625 0.127 4.387 603 HA LEU 73 HA LEU 73 10.006 -2.138 3.102 604 1HB LEU 73 HB2 LEU 73 9.098 0.469 1.870 605 2HB LEU 73 HB1 LEU 73 9.984 -0.788 1.032 606 HG LEU 73 HG LEU 73 7.960 -2.300 1.657 607 1HD1 LEU 73 HD11 LEU 73 6.718 0.438 1.882 608 2HD1 LEU 73 HD12 LEU 73 6.874 -0.747 3.179 609 3HD1 LEU 73 HD13 LEU 73 5.838 -1.088 1.792 610 1HD2 LEU 73 HD21 LEU 73 6.812 -1.612 -0.392 611 2HD2 LEU 73 HD22 LEU 73 8.562 -1.670 -0.608 612 3HD2 LEU 73 HD23 LEU 73 7.750 -0.118 -0.410 613 HA PRO 74 HA PRO 74 13.403 0.469 4.551 614 1HB PRO 74 HB2 PRO 74 14.903 -1.486 5.601 615 2HB PRO 74 HB1 PRO 74 13.466 -0.874 6.424 616 1HG PRO 74 HG2 PRO 74 13.875 -3.434 5.000 617 2HG PRO 74 HG1 PRO 74 12.762 -3.044 6.320 618 1HD PRO 74 HD2 PRO 74 12.182 -3.185 3.526 619 2HD PRO 74 HD1 PRO 74 11.085 -2.722 4.840 620 H LYS 75 HN LYS 75 15.119 1.103 3.375 621 HA LYS 75 HA LYS 75 16.703 -0.913 1.985 622 1HB LYS 75 HB2 LYS 75 15.142 0.125 0.301 623 2HB LYS 75 HB1 LYS 75 15.921 1.671 0.624 624 1HG LYS 75 HG2 LYS 75 18.111 0.433 0.059 625 2HG LYS 75 HG1 LYS 75 17.057 -0.772 -0.679 626 1HD LYS 75 HD2 LYS 75 17.822 0.813 -2.345 627 2HD LYS 75 HD1 LYS 75 16.083 0.981 -2.101 628 1HE LYS 75 HE2 LYS 75 16.293 3.006 -1.015 629 2HE LYS 75 HE1 LYS 75 17.966 2.697 -0.542 630 1HZ LYS 75 HZ1 LYS 75 18.656 3.014 -2.817 631 2HZ LYS 75 HZ2 LYS 75 17.785 4.373 -2.302 632 3HZ LYS 75 HZ3 LYS 75 17.052 3.236 -3.319 633 H ASP 76 HN ASP 76 18.642 -0.715 2.891 634 HA ASP 76 HA ASP 76 19.691 2.000 3.367 635 1HB ASP 76 HB2 ASP 76 19.928 -0.440 5.134 636 2HB ASP 76 HB1 ASP 76 21.001 0.944 5.287 637 H SER 77 HN SER 77 21.471 2.389 2.200 638 HA SER 77 HA SER 77 23.346 0.225 1.691 639 1HB SER 77 HB2 SER 77 23.370 0.882 -0.782 640 2HB SER 77 HB1 SER 77 21.990 -0.058 -0.221 641 HG SER 77 HG SER 77 22.111 2.732 -0.739 642 H LEU 78 HN LEU 78 25.207 1.043 2.401 643 HA LEU 78 HA LEU 78 25.957 3.792 2.007 644 1HB LEU 78 HB2 LEU 78 27.577 1.372 2.836 645 2HB LEU 78 HB1 LEU 78 28.230 2.993 2.735 646 HG LEU 78 HG LEU 78 26.494 3.668 4.465 647 1HD1 LEU 78 HD11 LEU 78 26.282 0.684 4.822 648 2HD1 LEU 78 HD12 LEU 78 25.008 1.743 4.218 649 3HD1 LEU 78 HD13 LEU 78 25.585 1.915 5.875 650 1HD2 LEU 78 HD21 LEU 78 27.838 2.831 6.323 651 2HD2 LEU 78 HD22 LEU 78 28.855 3.381 4.990 652 3HD2 LEU 78 HD23 LEU 78 28.597 1.656 5.250 653 H GLU 79 HN GLU 79 26.360 4.500 -0.013 654 HA GLU 79 HA GLU 79 26.697 2.480 -2.046 655 1HB GLU 79 HB2 GLU 79 25.029 4.454 -2.046 656 2HB GLU 79 HB1 GLU 79 26.397 5.408 -2.601 657 1HG GLU 79 HG2 GLU 79 26.598 4.137 -4.584 658 2HG GLU 79 HG1 GLU 79 25.493 2.900 -3.984 659 H HIS 80 HN HIS 80 28.892 1.972 -1.449 660 HA HIS 80 HA HIS 80 31.031 1.771 -2.146 661 1HB HIS 80 HB2 HIS 80 29.861 3.369 -4.399 662 2HB HIS 80 HB1 HIS 80 31.550 2.873 -4.411 663 HD1 HIS 80 HD1 HIS 80 32.060 0.497 -5.064 664 HD2 HIS 80 HD2 HIS 80 27.995 1.180 -4.487 665 HE1 HIS 80 HE1 HIS 80 30.898 -1.586 -5.871 666 HE2 HIS 80 HE2 HIS 80 28.436 -1.106 -5.627 667 H HIS 81 HN HIS 81 30.415 4.152 -0.388 668 HA HIS 81 HA HIS 81 32.485 6.014 -1.237 669 1HB HIS 81 HB2 HIS 81 30.384 6.847 -0.174 670 2HB HIS 81 HB1 HIS 81 30.862 6.052 1.322 671 HD1 HIS 81 HD1 HIS 81 32.384 8.634 -1.063 672 HD2 HIS 81 HD2 HIS 81 32.189 7.724 2.993 673 HE1 HIS 81 HE1 HIS 81 33.649 10.457 0.103 674 HE2 HIS 81 HE2 HIS 81 33.731 9.748 2.512 675 H HIS 82 HN HIS 82 33.143 3.226 -0.573 676 HA HIS 82 HA HIS 82 35.502 3.837 0.914 677 1HB HIS 82 HB2 HIS 82 33.684 3.351 2.679 678 2HB HIS 82 HB1 HIS 82 33.799 1.678 2.142 679 HD1 HIS 82 HD1 HIS 82 35.688 0.303 3.082 680 HD2 HIS 82 HD2 HIS 82 36.132 4.376 3.819 681 HE1 HIS 82 HE1 HIS 82 37.633 0.499 4.662 682 HE2 HIS 82 HE2 HIS 82 37.754 2.945 5.249 683 H HIS 83 HN HIS 83 36.671 3.124 -0.747 684 HA HIS 83 HA HIS 83 37.193 0.360 -1.024 685 1HB HIS 83 HB2 HIS 83 35.025 0.595 -2.361 686 2HB HIS 83 HB1 HIS 83 35.936 1.593 -3.487 687 HD1 HIS 83 HD1 HIS 83 35.216 -1.893 -2.589 688 HD2 HIS 83 HD2 HIS 83 38.004 0.149 -4.910 689 HE1 HIS 83 HE1 HIS 83 36.274 -3.633 -4.069 690 HE2 HIS 83 HE2 HIS 83 38.035 -2.402 -5.385 691 H HIS 84 HN HIS 84 37.167 3.284 -3.057 692 HA HIS 84 HA HIS 84 40.037 3.072 -3.476 693 1HB HIS 84 HB2 HIS 84 38.461 3.857 -5.285 694 2HB HIS 84 HB1 HIS 84 38.159 5.298 -4.320 695 HD1 HIS 84 HD1 HIS 84 39.599 7.236 -4.883 696 HD2 HIS 84 HD2 HIS 84 41.373 3.619 -5.922 697 HE1 HIS 84 HE1 HIS 84 41.742 7.841 -6.053 698 HE2 HIS 84 HE2 HIS 84 42.724 5.641 -6.802 699 H HIS 85 HN HIS 85 39.862 3.117 -0.953 700 HA HIS 85 HA HIS 85 40.311 4.104 1.025 701 1HB HIS 85 HB2 HIS 85 42.119 5.258 -0.233 702 2HB HIS 85 HB1 HIS 85 40.999 6.560 -0.613 703 HD1 HIS 85 HD1 HIS 85 41.543 8.510 0.781 704 HD2 HIS 85 HD2 HIS 85 41.985 4.951 2.876 705 HE1 HIS 85 HE1 HIS 85 42.240 9.175 3.102 706 HE2 HIS 85 HE2 HIS 85 42.741 6.994 4.265 Start of MODEL 20 1 1H MET 1 HT1 MET 1 -20.603 -6.139 9.314 2 2H MET 1 HT2 MET 1 -22.103 -5.407 9.594 3 3H MET 1 HT3 MET 1 -20.915 -5.387 10.802 4 HA MET 1 HA MET 1 -21.095 -3.246 9.710 5 1HB MET 1 HB2 MET 1 -18.570 -4.831 9.253 6 2HB MET 1 HB1 MET 1 -18.670 -3.108 8.914 7 1HG MET 1 HG2 MET 1 -19.206 -4.364 11.595 8 2HG MET 1 HG1 MET 1 -17.678 -3.631 11.110 9 1HE MET 1 HE1 MET 1 -18.627 0.121 10.674 10 2HE MET 1 HE2 MET 1 -18.538 -1.128 9.431 11 3HE MET 1 HE3 MET 1 -17.319 -1.061 10.704 12 H HIS 2 HN HIS 2 -21.589 -2.146 7.924 13 HA HIS 2 HA HIS 2 -21.723 -3.589 5.395 14 1HB HIS 2 HB2 HIS 2 -22.658 -0.819 6.182 15 2HB HIS 2 HB1 HIS 2 -22.842 -1.502 4.569 16 HD1 HIS 2 HD1 HIS 2 -24.692 -1.031 7.557 17 HD2 HIS 2 HD2 HIS 2 -24.343 -4.145 4.815 18 HE1 HIS 2 HE1 HIS 2 -26.749 -2.450 7.868 19 HE2 HIS 2 HE2 HIS 2 -26.451 -4.393 6.292 20 H LYS 3 HN LYS 3 -19.725 -1.394 7.046 21 HA LYS 3 HA LYS 3 -18.160 -0.926 4.597 22 1HB LYS 3 HB2 LYS 3 -18.159 0.692 7.155 23 2HB LYS 3 HB1 LYS 3 -17.242 1.054 5.698 24 1HG LYS 3 HG2 LYS 3 -19.310 1.410 4.468 25 2HG LYS 3 HG1 LYS 3 -20.243 1.021 5.912 26 1HD LYS 3 HD2 LYS 3 -19.215 2.931 7.070 27 2HD LYS 3 HD1 LYS 3 -18.332 3.330 5.594 28 1HE LYS 3 HE2 LYS 3 -20.423 3.680 4.413 29 2HE LYS 3 HE1 LYS 3 -21.335 3.215 5.846 30 1HZ LYS 3 HZ1 LYS 3 -21.271 5.587 5.664 31 2HZ LYS 3 HZ2 LYS 3 -19.581 5.591 5.550 32 3HZ LYS 3 HZ3 LYS 3 -20.330 5.127 7.001 33 H ASP 4 HN ASP 4 -16.272 -1.965 4.499 34 HA ASP 4 HA ASP 4 -15.123 -2.993 7.011 35 1HB ASP 4 HB2 ASP 4 -16.277 -4.778 5.732 36 2HB ASP 4 HB1 ASP 4 -15.234 -4.444 4.355 37 H ILE 5 HN ILE 5 -12.860 -3.166 7.082 38 HA ILE 5 HA ILE 5 -11.482 -1.084 5.769 39 HB ILE 5 HB ILE 5 -10.418 -3.410 7.373 40 1HG1 ILE 5 HG12 ILE 5 -11.852 -1.845 8.626 41 2HG1 ILE 5 HG11 ILE 5 -10.178 -1.754 9.163 42 1HG2 ILE 5 HG21 ILE 5 -8.327 -2.120 7.551 43 2HG2 ILE 5 HG22 ILE 5 -8.973 -0.945 6.404 44 3HG2 ILE 5 HG23 ILE 5 -8.675 -2.606 5.892 45 1HD1 ILE 5 HD11 ILE 5 -11.564 0.189 7.328 46 2HD1 ILE 5 HD12 ILE 5 -9.873 0.275 7.817 47 3HD1 ILE 5 HD13 ILE 5 -11.151 0.455 9.021 48 H PHE 6 HN PHE 6 -10.707 -1.025 3.815 49 HA PHE 6 HA PHE 6 -10.557 -3.380 2.171 50 1HB PHE 6 HB2 PHE 6 -11.344 -1.270 1.227 51 2HB PHE 6 HB1 PHE 6 -9.815 -0.497 1.623 52 HD1 PHE 6 HD2 PHE 6 -11.366 -3.116 -0.474 53 HD2 PHE 6 HD1 PHE 6 -8.006 -0.578 0.131 54 HE1 PHE 6 HE2 PHE 6 -10.500 -3.741 -2.689 55 HE2 PHE 6 HE1 PHE 6 -7.135 -1.195 -2.084 56 HZ PHE 6 HZ PHE 6 -8.380 -2.781 -3.497 57 H THR 7 HN THR 7 -8.939 -4.674 2.982 58 HA THR 7 HA THR 7 -6.227 -3.563 2.892 59 HB THR 7 HB THR 7 -5.609 -5.803 3.968 60 HG1 THR 7 HG1 THR 7 -7.245 -7.158 3.989 61 1HG2 THR 7 HG21 THR 7 -6.276 -5.055 6.209 62 2HG2 THR 7 HG22 THR 7 -7.407 -3.912 5.484 63 3HG2 THR 7 HG23 THR 7 -5.673 -3.718 5.228 64 H SER 8 HN SER 8 -4.957 -4.069 1.200 65 HA SER 8 HA SER 8 -5.380 -6.526 -0.297 66 1HB SER 8 HB2 SER 8 -5.658 -3.799 -1.587 67 2HB SER 8 HB1 SER 8 -5.592 -5.330 -2.461 68 HG SER 8 HG SER 8 -7.455 -5.415 -0.509 69 H VAL 9 HN VAL 9 -3.797 -6.005 -2.481 70 HA VAL 9 HA VAL 9 -1.237 -5.195 -1.280 71 HB VAL 9 HB VAL 9 -1.307 -7.637 -1.426 72 1HG1 VAL 9 HG11 VAL 9 -1.444 -8.779 -3.593 73 2HG1 VAL 9 HG12 VAL 9 -1.774 -7.235 -4.378 74 3HG1 VAL 9 HG13 VAL 9 -2.924 -7.897 -3.218 75 1HG2 VAL 9 HG21 VAL 9 0.516 -6.393 -3.478 76 2HG2 VAL 9 HG22 VAL 9 0.724 -7.993 -2.765 77 3HG2 VAL 9 HG23 VAL 9 0.833 -6.554 -1.751 78 H VAL 10 HN VAL 10 0.089 -3.955 -2.530 79 HA VAL 10 HA VAL 10 -0.862 -3.311 -5.247 80 HB VAL 10 HB VAL 10 -1.282 -1.497 -3.533 81 1HG1 VAL 10 HG11 VAL 10 1.720 -1.255 -3.580 82 2HG1 VAL 10 HG12 VAL 10 0.739 -1.765 -2.206 83 3HG1 VAL 10 HG13 VAL 10 0.604 -0.119 -2.825 84 1HG2 VAL 10 HG21 VAL 10 0.523 -0.834 -5.852 85 2HG2 VAL 10 HG22 VAL 10 -0.473 0.327 -4.974 86 3HG2 VAL 10 HG23 VAL 10 -1.234 -0.974 -5.891 87 H ARG 11 HN ARG 11 0.843 -2.570 -6.714 88 HA ARG 11 HA ARG 11 3.229 -4.150 -6.394 89 1HB ARG 11 HB2 ARG 11 2.280 -2.314 -8.592 90 2HB ARG 11 HB1 ARG 11 3.807 -3.179 -8.651 91 1HG ARG 11 HG2 ARG 11 1.072 -4.428 -8.496 92 2HG ARG 11 HG1 ARG 11 2.094 -4.321 -9.932 93 1HD ARG 11 HD2 ARG 11 2.630 -5.869 -7.407 94 2HD ARG 11 HD1 ARG 11 2.328 -6.519 -9.016 95 HE ARG 11 HE ARG 11 4.792 -5.223 -8.088 96 1HH1 ARG 11 HH11 ARG 11 3.041 -6.859 -10.639 97 2HH1 ARG 11 HH12 ARG 11 4.476 -7.338 -11.496 98 1HH2 ARG 11 HH21 ARG 11 6.683 -5.825 -9.235 99 2HH2 ARG 11 HH22 ARG 11 6.549 -6.736 -10.708 100 H VAL 12 HN VAL 12 5.215 -3.472 -5.858 101 HA VAL 12 HA VAL 12 5.590 -0.576 -5.463 102 HB VAL 12 HB VAL 12 7.048 -2.628 -3.824 103 1HG1 VAL 12 HG11 VAL 12 7.918 -0.369 -3.805 104 2HG1 VAL 12 HG12 VAL 12 7.200 -0.753 -2.239 105 3HG1 VAL 12 HG13 VAL 12 6.326 0.265 -3.385 106 1HG2 VAL 12 HG21 VAL 12 5.375 -2.353 -2.060 107 2HG2 VAL 12 HG22 VAL 12 4.686 -3.098 -3.504 108 3HG2 VAL 12 HG23 VAL 12 4.382 -1.394 -3.161 109 H ARG 13 HN ARG 13 7.404 0.316 -6.186 110 HA ARG 13 HA ARG 13 9.392 -1.411 -7.515 111 1HB ARG 13 HB2 ARG 13 7.969 -0.099 -9.061 112 2HB ARG 13 HB1 ARG 13 8.443 1.376 -8.241 113 1HG ARG 13 HG2 ARG 13 10.754 1.026 -8.973 114 2HG ARG 13 HG1 ARG 13 10.251 -0.440 -9.821 115 1HD ARG 13 HD2 ARG 13 8.913 0.777 -11.335 116 2HD ARG 13 HD1 ARG 13 8.997 2.240 -10.357 117 HE ARG 13 HE ARG 13 11.071 1.181 -12.132 118 1HH1 ARG 13 HH11 ARG 13 9.982 3.667 -9.905 119 2HH1 ARG 13 HH12 ARG 13 11.283 4.760 -10.290 120 1HH2 ARG 13 HH21 ARG 13 12.756 2.639 -12.661 121 2HH2 ARG 13 HH22 ARG 13 12.836 4.189 -11.880 122 H GLY 14 HN GLY 14 11.603 -0.198 -7.672 123 1HA GLY 14 HA2 GLY 14 12.891 1.694 -6.769 124 2HA GLY 14 HA1 GLY 14 11.972 1.502 -5.283 125 H SER 15 HN SER 15 14.550 1.589 -4.902 126 HA SER 15 HA SER 15 15.942 -0.863 -5.268 127 1HB SER 15 HB2 SER 15 17.651 0.211 -3.780 128 2HB SER 15 HB1 SER 15 17.186 1.201 -5.165 129 HG SER 15 HG SER 15 16.029 1.443 -2.586 130 H LYS 16 HN LYS 16 14.511 -2.401 -4.333 131 HA LYS 16 HA LYS 16 15.507 -3.340 -1.922 132 1HB LYS 16 HB2 LYS 16 13.267 -3.345 -0.625 133 2HB LYS 16 HB1 LYS 16 14.280 -1.917 -0.566 134 1HG LYS 16 HG2 LYS 16 12.044 -1.196 -0.778 135 2HG LYS 16 HG1 LYS 16 12.829 -0.910 -2.329 136 1HD LYS 16 HD2 LYS 16 11.676 -2.652 -3.362 137 2HD LYS 16 HD1 LYS 16 11.263 -3.414 -1.823 138 1HE LYS 16 HE2 LYS 16 9.355 -2.255 -2.930 139 2HE LYS 16 HE1 LYS 16 9.707 -1.680 -1.301 140 1HZ LYS 16 HZ1 LYS 16 10.376 -0.353 -3.866 141 2HZ LYS 16 HZ2 LYS 16 10.995 0.147 -2.374 142 3HZ LYS 16 HZ3 LYS 16 9.329 0.203 -2.657 143 H LYS 17 HN LYS 17 14.287 -5.341 -1.176 144 HA LYS 17 HA LYS 17 13.773 -6.821 -3.629 145 1HB LYS 17 HB2 LYS 17 14.276 -7.798 -0.815 146 2HB LYS 17 HB1 LYS 17 14.178 -8.812 -2.249 147 1HG LYS 17 HG2 LYS 17 16.146 -7.731 -3.173 148 2HG LYS 17 HG1 LYS 17 16.231 -6.660 -1.774 149 1HD LYS 17 HD2 LYS 17 16.542 -8.624 -0.321 150 2HD LYS 17 HD1 LYS 17 16.520 -9.663 -1.747 151 1HE LYS 17 HE2 LYS 17 18.521 -7.483 -1.152 152 2HE LYS 17 HE1 LYS 17 18.809 -9.219 -1.029 153 1HZ LYS 17 HZ1 LYS 17 18.281 -9.338 -3.453 154 2HZ LYS 17 HZ2 LYS 17 19.703 -8.497 -3.080 155 3HZ LYS 17 HZ3 LYS 17 18.297 -7.641 -3.491 156 H TYR 18 HN TYR 18 11.638 -5.159 -2.643 157 HA TYR 18 HA TYR 18 9.627 -7.248 -2.177 158 1HB TYR 18 HB2 TYR 18 9.689 -4.533 -0.841 159 2HB TYR 18 HB1 TYR 18 8.357 -5.679 -0.736 160 HD1 TYR 18 HD2 TYR 18 8.718 -7.870 0.428 161 HD2 TYR 18 HD1 TYR 18 11.608 -4.750 0.538 162 HE1 TYR 18 HE2 TYR 18 9.788 -8.939 2.368 163 HE2 TYR 18 HE1 TYR 18 12.687 -5.811 2.473 164 HH TYR 18 HH TYR 18 12.094 -8.965 3.417 165 H ASN 19 HN ASN 19 8.684 -7.341 -4.108 166 HA ASN 19 HA ASN 19 8.268 -4.919 -5.666 167 1HB ASN 19 HB2 ASN 19 7.941 -7.853 -6.248 168 2HB ASN 19 HB1 ASN 19 7.338 -6.624 -7.355 169 1HD2 ASN 19 HD21 ASN 19 8.791 -7.428 -8.930 170 2HD2 ASN 19 HD22 ASN 19 10.470 -6.991 -8.887 171 H VAL 20 HN VAL 20 6.565 -6.579 -3.355 172 HA VAL 20 HA VAL 20 4.089 -5.241 -4.143 173 HB VAL 20 HB VAL 20 2.754 -7.232 -3.377 174 1HG1 VAL 20 HG11 VAL 20 2.959 -6.728 -5.738 175 2HG1 VAL 20 HG12 VAL 20 2.980 -8.475 -5.487 176 3HG1 VAL 20 HG13 VAL 20 4.484 -7.613 -5.818 177 1HG2 VAL 20 HG21 VAL 20 3.846 -9.434 -3.424 178 2HG2 VAL 20 HG22 VAL 20 4.484 -8.403 -2.143 179 3HG2 VAL 20 HG23 VAL 20 5.409 -8.643 -3.626 180 H VAL 21 HN VAL 21 2.883 -4.475 -2.422 181 HA VAL 21 HA VAL 21 3.665 -5.308 0.272 182 HB VAL 21 HB VAL 21 4.867 -3.148 -0.484 183 1HG1 VAL 21 HG11 VAL 21 2.129 -2.014 0.065 184 2HG1 VAL 21 HG12 VAL 21 2.981 -2.006 -1.480 185 3HG1 VAL 21 HG13 VAL 21 3.610 -1.074 -0.122 186 1HG2 VAL 21 HG21 VAL 21 4.869 -3.936 1.797 187 2HG2 VAL 21 HG22 VAL 21 3.287 -3.209 2.077 188 3HG2 VAL 21 HG23 VAL 21 4.688 -2.182 1.762 189 HA PRO 22 HA PRO 22 -0.772 -5.194 0.797 190 1HB PRO 22 HB2 PRO 22 -0.833 -5.510 3.491 191 2HB PRO 22 HB1 PRO 22 -0.508 -6.841 2.375 192 1HG PRO 22 HG2 PRO 22 1.409 -5.203 3.986 193 2HG PRO 22 HG1 PRO 22 1.409 -6.951 3.680 194 1HD PRO 22 HD2 PRO 22 3.015 -5.209 2.345 195 2HD PRO 22 HD1 PRO 22 2.414 -6.717 1.628 196 H VAL 23 HN VAL 23 -2.055 -3.500 0.874 197 HA VAL 23 HA VAL 23 -1.353 -1.225 2.603 198 HB VAL 23 HB VAL 23 -2.652 0.195 1.032 199 1HG1 VAL 23 HG11 VAL 23 -0.974 0.254 -0.750 200 2HG1 VAL 23 HG12 VAL 23 -0.374 -1.322 -0.233 201 3HG1 VAL 23 HG13 VAL 23 -0.230 0.071 0.838 202 1HG2 VAL 23 HG21 VAL 23 -4.106 -1.475 0.054 203 2HG2 VAL 23 HG22 VAL 23 -2.723 -2.298 -0.665 204 3HG2 VAL 23 HG23 VAL 23 -3.171 -0.683 -1.215 205 H LYS 24 HN LYS 24 -3.223 0.023 3.375 206 HA LYS 24 HA LYS 24 -5.652 -1.604 3.684 207 1HB LYS 24 HB2 LYS 24 -5.794 -0.824 6.050 208 2HB LYS 24 HB1 LYS 24 -4.426 -1.886 5.746 209 1HG LYS 24 HG2 LYS 24 -2.888 -0.137 5.878 210 2HG LYS 24 HG1 LYS 24 -4.131 1.093 5.660 211 1HD LYS 24 HD2 LYS 24 -3.396 1.083 7.956 212 2HD LYS 24 HD1 LYS 24 -5.059 0.504 7.867 213 1HE LYS 24 HE2 LYS 24 -4.309 -1.784 8.090 214 2HE LYS 24 HE1 LYS 24 -2.623 -1.264 8.059 215 1HZ LYS 24 HZ1 LYS 24 -3.471 -1.701 10.322 216 2HZ LYS 24 HZ2 LYS 24 -4.594 -0.444 10.128 217 3HZ LYS 24 HZ3 LYS 24 -2.934 -0.103 10.117 218 H SER 25 HN SER 25 -7.412 -0.194 4.728 219 HA SER 25 HA SER 25 -7.406 2.445 3.422 220 1HB SER 25 HB2 SER 25 -9.869 2.274 3.524 221 2HB SER 25 HB1 SER 25 -9.164 0.908 2.658 222 HG SER 25 HG SER 25 -9.843 0.853 5.410 223 H ASN 26 HN ASN 26 -7.474 4.229 4.626 224 HA ASN 26 HA ASN 26 -7.153 4.276 7.384 225 1HB ASN 26 HB2 ASN 26 -6.533 6.193 6.105 226 2HB ASN 26 HB1 ASN 26 -8.162 6.380 5.468 227 1HD2 ASN 26 HD21 ASN 26 -9.646 7.510 6.608 228 2HD2 ASN 26 HD22 ASN 26 -9.312 8.310 8.097 229 H LYS 27 HN LYS 27 -10.128 4.622 5.498 230 HA LYS 27 HA LYS 27 -11.653 4.309 7.994 231 1HB LYS 27 HB2 LYS 27 -11.907 6.579 7.099 232 2HB LYS 27 HB1 LYS 27 -12.393 5.927 5.542 233 1HG LYS 27 HG2 LYS 27 -14.442 5.124 6.419 234 2HG LYS 27 HG1 LYS 27 -13.926 5.426 8.078 235 1HD LYS 27 HD2 LYS 27 -15.503 7.129 7.308 236 2HD LYS 27 HD1 LYS 27 -13.922 7.828 7.650 237 1HE LYS 27 HE2 LYS 27 -13.394 7.786 5.258 238 2HE LYS 27 HE1 LYS 27 -14.983 7.097 4.926 239 1HZ LYS 27 HZ1 LYS 27 -15.991 9.101 5.851 240 2HZ LYS 27 HZ2 LYS 27 -14.985 9.469 4.542 241 3HZ LYS 27 HZ3 LYS 27 -14.454 9.765 6.129 242 HA PRO 28 HA PRO 28 -13.324 0.514 6.422 243 1HB PRO 28 HB2 PRO 28 -15.893 1.694 7.406 244 2HB PRO 28 HB1 PRO 28 -15.225 0.079 7.669 245 1HG PRO 28 HG2 PRO 28 -15.089 1.921 9.580 246 2HG PRO 28 HG1 PRO 28 -13.735 0.816 9.288 247 1HD PRO 28 HD2 PRO 28 -14.002 3.698 8.616 248 2HD PRO 28 HD1 PRO 28 -12.552 2.765 9.037 249 H VAL 29 HN VAL 29 -13.962 -0.061 4.462 250 HA VAL 29 HA VAL 29 -15.160 1.991 2.740 251 HB VAL 29 HB VAL 29 -13.854 -0.584 1.866 252 1HG1 VAL 29 HG11 VAL 29 -14.387 2.008 0.422 253 2HG1 VAL 29 HG12 VAL 29 -15.257 0.490 0.197 254 3HG1 VAL 29 HG13 VAL 29 -13.556 0.608 -0.253 255 1HG2 VAL 29 HG21 VAL 29 -12.233 0.618 3.180 256 2HG2 VAL 29 HG22 VAL 29 -12.573 2.108 2.295 257 3HG2 VAL 29 HG23 VAL 29 -11.816 0.746 1.470 258 H GLU 30 HN GLU 30 -17.188 1.783 2.075 259 HA GLU 30 HA GLU 30 -18.969 -0.192 2.827 260 1HB GLU 30 HB2 GLU 30 -19.106 1.421 0.269 261 2HB GLU 30 HB1 GLU 30 -20.457 0.660 1.098 262 1HG GLU 30 HG2 GLU 30 -20.092 2.152 3.015 263 2HG GLU 30 HG1 GLU 30 -18.783 2.940 2.136 264 H ILE 31 HN ILE 31 -19.552 -2.158 2.060 265 HA ILE 31 HA ILE 31 -17.733 -3.527 0.374 266 HB ILE 31 HB ILE 31 -18.797 -4.744 2.134 267 1HG1 ILE 31 HG12 ILE 31 -19.721 -6.694 0.887 268 2HG1 ILE 31 HG11 ILE 31 -19.742 -5.708 -0.572 269 1HG2 ILE 31 HG21 ILE 31 -21.428 -4.208 0.776 270 2HG2 ILE 31 HG22 ILE 31 -20.879 -3.518 2.303 271 3HG2 ILE 31 HG23 ILE 31 -21.187 -5.250 2.179 272 1HD1 ILE 31 HD11 ILE 31 -17.297 -6.448 1.021 273 2HD1 ILE 31 HD12 ILE 31 -17.318 -5.469 -0.447 274 3HD1 ILE 31 HD13 ILE 31 -17.800 -7.165 -0.510 275 H SER 32 HN SER 32 -17.751 -2.272 -1.477 276 HA SER 32 HA SER 32 -19.249 -3.204 -3.641 277 1HB SER 32 HB2 SER 32 -21.118 -1.951 -2.647 278 2HB SER 32 HB1 SER 32 -20.130 -0.494 -2.592 279 HG SER 32 HG SER 32 -20.385 -1.733 -5.079 280 H LYS 33 HN LYS 33 -17.533 -0.468 -2.204 281 HA LYS 33 HA LYS 33 -16.484 0.464 -4.714 282 1HB LYS 33 HB2 LYS 33 -15.873 1.181 -1.847 283 2HB LYS 33 HB1 LYS 33 -15.077 1.940 -3.217 284 1HG LYS 33 HG2 LYS 33 -18.039 1.980 -2.672 285 2HG LYS 33 HG1 LYS 33 -16.909 3.302 -2.358 286 1HD LYS 33 HD2 LYS 33 -16.371 3.398 -4.748 287 2HD LYS 33 HD1 LYS 33 -17.516 2.090 -5.056 288 1HE LYS 33 HE2 LYS 33 -19.332 3.498 -4.196 289 2HE LYS 33 HE1 LYS 33 -18.183 4.809 -3.927 290 1HZ LYS 33 HZ1 LYS 33 -18.808 3.583 -6.560 291 2HZ LYS 33 HZ2 LYS 33 -17.738 4.869 -6.294 292 3HZ LYS 33 HZ3 LYS 33 -19.395 5.072 -6.005 293 H TRP 34 HN TRP 34 -15.732 -2.122 -2.797 294 HA TRP 34 HA TRP 34 -12.953 -2.176 -2.690 295 1HB TRP 34 HB2 TRP 34 -14.999 -4.380 -2.876 296 2HB TRP 34 HB1 TRP 34 -13.277 -4.714 -2.730 297 HD1 TRP 34 HD1 TRP 34 -15.774 -2.435 -0.782 298 HE1 TRP 34 HE1 TRP 34 -15.301 -2.738 1.733 299 HE3 TRP 34 HE3 TRP 34 -11.944 -5.807 -1.084 300 HZ2 TRP 34 HZ2 TRP 34 -13.542 -4.220 3.361 301 HZ3 TRP 34 HZ3 TRP 34 -10.920 -6.618 1.000 302 HH2 TRP 34 HH2 TRP 34 -11.705 -5.837 3.177 303 H ILE 35 HN ILE 35 -15.145 -2.931 -5.319 304 HA ILE 35 HA ILE 35 -13.298 -4.183 -7.038 305 HB ILE 35 HB ILE 35 -15.749 -2.576 -7.785 306 1HG1 ILE 35 HG12 ILE 35 -15.429 -5.551 -7.310 307 2HG1 ILE 35 HG11 ILE 35 -16.232 -4.426 -6.221 308 1HG2 ILE 35 HG21 ILE 35 -14.253 -2.916 -9.677 309 2HG2 ILE 35 HG22 ILE 35 -15.720 -3.880 -9.860 310 3HG2 ILE 35 HG23 ILE 35 -14.216 -4.650 -9.353 311 1HD1 ILE 35 HD11 ILE 35 -17.930 -3.988 -7.893 312 2HD1 ILE 35 HD12 ILE 35 -17.822 -5.714 -7.547 313 3HD1 ILE 35 HD13 ILE 35 -17.115 -5.065 -9.027 314 H ASP 36 HN ASP 36 -14.474 -0.813 -6.983 315 HA ASP 36 HA ASP 36 -12.816 0.130 -9.059 316 1HB ASP 36 HB2 ASP 36 -13.934 1.709 -6.720 317 2HB ASP 36 HB1 ASP 36 -13.374 2.374 -8.249 318 H PHE 37 HN PHE 37 -12.337 -0.054 -5.555 319 HA PHE 37 HA PHE 37 -9.985 1.494 -5.443 320 1HB PHE 37 HB2 PHE 37 -11.207 -0.553 -3.631 321 2HB PHE 37 HB1 PHE 37 -9.588 0.053 -3.300 322 HD1 PHE 37 HD1 PHE 37 -12.287 2.093 -4.767 323 HD2 PHE 37 HD2 PHE 37 -10.092 1.129 -1.250 324 HE1 PHE 37 HE1 PHE 37 -13.244 4.054 -3.636 325 HE2 PHE 37 HE2 PHE 37 -11.049 3.090 -0.114 326 HZ PHE 37 HZ PHE 37 -12.624 4.555 -1.307 327 H SER 38 HN SER 38 -10.378 -2.061 -5.563 328 HA SER 38 HA SER 38 -7.610 -2.608 -5.776 329 1HB SER 38 HB2 SER 38 -9.290 -4.317 -5.130 330 2HB SER 38 HB1 SER 38 -9.944 -4.273 -6.766 331 HG SER 38 HG SER 38 -7.359 -4.665 -7.014 332 H ASN 39 HN ASN 39 -10.109 -1.843 -8.059 333 HA ASN 39 HA ASN 39 -8.917 -2.391 -10.497 334 1HB ASN 39 HB2 ASN 39 -11.234 -1.666 -10.246 335 2HB ASN 39 HB1 ASN 39 -10.703 -0.085 -9.692 336 1HD2 ASN 39 HD21 ASN 39 -11.240 -2.142 -12.368 337 2HD2 ASN 39 HD22 ASN 39 -10.963 -0.955 -13.597 338 H VAL 40 HN VAL 40 -8.826 0.661 -8.662 339 HA VAL 40 HA VAL 40 -7.076 2.029 -10.365 340 HB VAL 40 HB VAL 40 -7.450 2.400 -7.387 341 1HG1 VAL 40 HG11 VAL 40 -6.676 4.705 -7.807 342 2HG1 VAL 40 HG12 VAL 40 -6.295 4.252 -9.469 343 3HG1 VAL 40 HG13 VAL 40 -5.429 3.500 -8.129 344 1HG2 VAL 40 HG21 VAL 40 -9.548 2.575 -8.587 345 2HG2 VAL 40 HG22 VAL 40 -8.824 3.707 -9.730 346 3HG2 VAL 40 HG23 VAL 40 -9.027 4.169 -8.041 347 H LEU 41 HN LEU 41 -6.437 0.026 -7.513 348 HA LEU 41 HA LEU 41 -3.685 0.506 -7.323 349 1HB LEU 41 HB2 LEU 41 -5.228 -1.981 -6.580 350 2HB LEU 41 HB1 LEU 41 -3.585 -1.632 -6.079 351 HG LEU 41 HG LEU 41 -6.034 -0.039 -5.319 352 1HD1 LEU 41 HD11 LEU 41 -4.296 -1.910 -3.718 353 2HD1 LEU 41 HD12 LEU 41 -5.961 -2.205 -4.225 354 3HD1 LEU 41 HD13 LEU 41 -5.602 -0.918 -3.071 355 1HD2 LEU 41 HD21 LEU 41 -4.507 1.133 -3.788 356 2HD2 LEU 41 HD22 LEU 41 -4.084 1.394 -5.480 357 3HD2 LEU 41 HD23 LEU 41 -3.146 0.265 -4.502 358 H SER 42 HN SER 42 -5.510 -1.504 -9.480 359 HA SER 42 HA SER 42 -3.462 -3.313 -10.222 360 1HB SER 42 HB2 SER 42 -5.966 -3.593 -10.543 361 2HB SER 42 HB1 SER 42 -5.824 -2.501 -11.919 362 HG SER 42 HG SER 42 -4.575 -5.036 -11.571 363 H ARG 43 HN ARG 43 -3.848 -0.011 -10.921 364 HA ARG 43 HA ARG 43 -1.741 -0.277 -12.952 365 1HB ARG 43 HB2 ARG 43 -2.628 1.802 -14.058 366 2HB ARG 43 HB1 ARG 43 -3.617 0.366 -14.255 367 1HG ARG 43 HG2 ARG 43 -4.281 2.196 -12.017 368 2HG ARG 43 HG1 ARG 43 -4.644 2.730 -13.660 369 1HD ARG 43 HD2 ARG 43 -5.575 0.172 -12.358 370 2HD ARG 43 HD1 ARG 43 -6.562 1.599 -12.675 371 HE ARG 43 HE ARG 43 -5.376 -0.096 -14.792 372 1HH1 ARG 43 HH11 ARG 43 -7.963 1.926 -13.549 373 2HH1 ARG 43 HH12 ARG 43 -8.974 1.708 -14.948 374 1HH2 ARG 43 HH21 ARG 43 -6.702 -0.368 -16.647 375 2HH2 ARG 43 HH22 ARG 43 -8.261 0.414 -16.704 376 H LEU 44 HN LEU 44 -1.890 0.271 -10.007 377 HA LEU 44 HA LEU 44 -0.603 2.917 -9.982 378 1HB LEU 44 HB2 LEU 44 -2.626 2.678 -8.579 379 2HB LEU 44 HB1 LEU 44 -1.846 1.377 -7.702 380 HG LEU 44 HG LEU 44 -0.139 2.945 -6.886 381 1HD1 LEU 44 HD11 LEU 44 -0.434 5.348 -7.209 382 2HD1 LEU 44 HD12 LEU 44 -1.774 5.037 -8.312 383 3HD1 LEU 44 HD13 LEU 44 -0.143 4.519 -8.737 384 1HD2 LEU 44 HD21 LEU 44 -1.577 4.180 -5.358 385 2HD2 LEU 44 HD22 LEU 44 -2.150 2.525 -5.571 386 3HD2 LEU 44 HD23 LEU 44 -2.969 3.855 -6.391 387 H TYR 45 HN TYR 45 1.530 2.810 -9.957 388 HA TYR 45 HA TYR 45 2.824 0.632 -8.464 389 1HB TYR 45 HB2 TYR 45 3.630 1.997 -11.024 390 2HB TYR 45 HB1 TYR 45 4.820 1.176 -10.019 391 HD1 TYR 45 HD2 TYR 45 1.564 0.585 -11.756 392 HD2 TYR 45 HD1 TYR 45 5.188 -1.096 -10.286 393 HE1 TYR 45 HE2 TYR 45 0.983 -1.567 -12.798 394 HE2 TYR 45 HE1 TYR 45 4.615 -3.251 -11.322 395 HH TYR 45 HH TYR 45 2.133 -3.598 -13.601 396 H VAL 46 HN VAL 46 3.586 1.353 -6.616 397 HA VAL 46 HA VAL 46 4.468 4.137 -6.399 398 HB VAL 46 HB VAL 46 4.517 3.737 -3.960 399 1HG1 VAL 46 HG11 VAL 46 2.094 3.570 -3.649 400 2HG1 VAL 46 HG12 VAL 46 1.926 2.967 -5.297 401 3HG1 VAL 46 HG13 VAL 46 2.503 4.610 -5.014 402 1HG2 VAL 46 HG21 VAL 46 3.590 1.680 -3.028 403 2HG2 VAL 46 HG22 VAL 46 5.022 1.338 -3.999 404 3HG2 VAL 46 HG23 VAL 46 3.417 1.010 -4.651 405 H GLY 47 HN GLY 47 6.380 4.269 -4.649 406 1HA GLY 47 HA2 GLY 47 8.404 2.256 -5.289 407 2HA GLY 47 HA1 GLY 47 8.739 3.926 -5.728 408 H VAL 48 HN VAL 48 10.534 2.900 -4.144 409 HA VAL 48 HA VAL 48 11.712 3.362 -2.249 410 HB VAL 48 HB VAL 48 9.343 5.096 -1.515 411 1HG1 VAL 48 HG11 VAL 48 10.858 6.195 0.075 412 2HG1 VAL 48 HG12 VAL 48 12.098 4.995 -0.292 413 3HG1 VAL 48 HG13 VAL 48 10.593 4.499 0.480 414 1HG2 VAL 48 HG21 VAL 48 10.759 6.955 -2.256 415 2HG2 VAL 48 HG22 VAL 48 10.451 5.812 -3.563 416 3HG2 VAL 48 HG23 VAL 48 12.010 5.807 -2.736 417 HA PRO 49 HA PRO 49 10.153 0.277 0.648 418 1HB PRO 49 HB2 PRO 49 12.282 1.332 2.404 419 2HB PRO 49 HB1 PRO 49 12.026 -0.314 1.817 420 1HG PRO 49 HG2 PRO 49 14.021 1.193 0.878 421 2HG PRO 49 HG1 PRO 49 13.127 0.087 -0.181 422 1HD PRO 49 HD2 PRO 49 12.867 3.055 0.114 423 2HD PRO 49 HD1 PRO 49 12.857 2.067 -1.363 424 H THR 50 HN THR 50 8.392 0.673 1.822 425 HA THR 50 HA THR 50 8.115 3.276 3.128 426 HB THR 50 HB THR 50 5.673 2.710 3.135 427 HG1 THR 50 HG1 THR 50 6.176 0.350 2.915 428 1HG2 THR 50 HG21 THR 50 7.057 2.643 0.445 429 2HG2 THR 50 HG22 THR 50 6.627 4.091 1.356 430 3HG2 THR 50 HG23 THR 50 5.359 3.044 0.716 431 H LYS 51 HN LYS 51 6.797 3.314 5.146 432 HA LYS 51 HA LYS 51 7.547 1.108 6.945 433 1HB LYS 51 HB2 LYS 51 6.644 3.940 7.512 434 2HB LYS 51 HB1 LYS 51 6.983 2.738 8.750 435 1HG LYS 51 HG2 LYS 51 9.310 2.614 7.968 436 2HG LYS 51 HG1 LYS 51 8.957 3.865 6.773 437 1HD LYS 51 HD2 LYS 51 8.417 5.439 8.527 438 2HD LYS 51 HD1 LYS 51 8.636 4.192 9.756 439 1HE LYS 51 HE2 LYS 51 10.999 3.999 9.104 440 2HE LYS 51 HE1 LYS 51 10.765 5.287 7.923 441 1HZ LYS 51 HZ1 LYS 51 11.732 6.079 10.019 442 2HZ LYS 51 HZ2 LYS 51 10.345 5.570 10.849 443 3HZ LYS 51 HZ3 LYS 51 10.234 6.806 9.692 444 H SER 52 HN SER 52 5.532 1.904 8.889 445 HA SER 52 HA SER 52 3.098 0.983 7.540 446 1HB SER 52 HB2 SER 52 3.874 -0.181 9.652 447 2HB SER 52 HB1 SER 52 3.513 1.311 10.523 448 HG SER 52 HG SER 52 1.531 0.650 10.594 449 H GLY 53 HN GLY 53 1.637 2.455 6.957 450 1HA GLY 53 HA2 GLY 53 0.174 4.275 7.451 451 2HA GLY 53 HA1 GLY 53 1.391 4.918 8.546 452 H ASN 54 HN ASN 54 1.550 3.853 5.156 453 HA ASN 54 HA ASN 54 2.685 6.495 4.484 454 1HB ASN 54 HB2 ASN 54 2.831 4.141 2.635 455 2HB ASN 54 HB1 ASN 54 3.907 5.529 2.756 456 1HD2 ASN 54 HD21 ASN 54 3.112 2.422 3.949 457 2HD2 ASN 54 HD22 ASN 54 4.509 2.189 4.935 458 H VAL 55 HN VAL 55 1.126 7.802 3.730 459 HA VAL 55 HA VAL 55 -1.255 6.824 2.521 460 HB VAL 55 HB VAL 55 -0.126 9.630 2.549 461 1HG1 VAL 55 HG11 VAL 55 -2.887 8.663 1.803 462 2HG1 VAL 55 HG12 VAL 55 -1.696 9.371 0.711 463 3HG1 VAL 55 HG13 VAL 55 -2.411 10.350 1.992 464 1HG2 VAL 55 HG21 VAL 55 -0.606 8.757 4.771 465 2HG2 VAL 55 HG22 VAL 55 -2.239 8.321 4.258 466 3HG2 VAL 55 HG23 VAL 55 -1.758 10.018 4.331 467 H VAL 56 HN VAL 56 -1.283 5.886 0.624 468 HA VAL 56 HA VAL 56 0.578 6.614 -1.475 469 HB VAL 56 HB VAL 56 -1.714 4.634 -1.506 470 1HG1 VAL 56 HG11 VAL 56 0.565 5.050 -3.432 471 2HG1 VAL 56 HG12 VAL 56 -1.145 5.358 -3.737 472 3HG1 VAL 56 HG13 VAL 56 -0.577 3.707 -3.484 473 1HG2 VAL 56 HG21 VAL 56 1.243 4.181 -1.079 474 2HG2 VAL 56 HG22 VAL 56 0.026 2.917 -1.252 475 3HG2 VAL 56 HG23 VAL 56 -0.027 4.006 0.134 476 H CYS 57 HN CYS 57 -2.959 6.272 -1.340 477 HA CYS 57 HA CYS 57 -3.188 8.799 -2.814 478 1HB CYS 57 HB2 CYS 57 -4.804 6.288 -3.304 479 2HB CYS 57 HB1 CYS 57 -5.113 7.853 -4.051 480 HG CYS 57 HG CYS 57 -2.068 7.431 -4.756 481 H LYS 58 HN LYS 58 -4.179 10.205 -1.566 482 HA LYS 58 HA LYS 58 -6.042 9.237 0.480 483 1HB LYS 58 HB2 LYS 58 -5.785 11.407 1.535 484 2HB LYS 58 HB1 LYS 58 -4.205 10.709 1.222 485 1HG LYS 58 HG2 LYS 58 -3.990 12.140 -0.768 486 2HG LYS 58 HG1 LYS 58 -5.550 12.869 -0.384 487 1HD LYS 58 HD2 LYS 58 -3.036 12.962 1.275 488 2HD LYS 58 HD1 LYS 58 -3.811 14.308 0.436 489 1HE LYS 58 HE2 LYS 58 -5.784 14.044 1.876 490 2HE LYS 58 HE1 LYS 58 -4.969 12.736 2.734 491 1HZ LYS 58 HZ1 LYS 58 -3.193 14.389 3.271 492 2HZ LYS 58 HZ2 LYS 58 -4.689 14.689 4.004 493 3HZ LYS 58 HZ3 LYS 58 -4.211 15.601 2.657 494 H ASN 59 HN ASN 59 -8.149 9.946 0.602 495 HA ASN 59 HA ASN 59 -10.197 10.473 -0.244 496 1HB ASN 59 HB2 ASN 59 -9.123 12.794 -0.053 497 2HB ASN 59 HB1 ASN 59 -8.817 12.688 -1.782 498 1HD2 ASN 59 HD21 ASN 59 -11.231 13.028 0.690 499 2HD2 ASN 59 HD22 ASN 59 -12.536 13.479 -0.353 500 H ILE 60 HN ILE 60 -8.921 8.423 -1.470 501 HA ILE 60 HA ILE 60 -8.446 8.749 -4.236 502 HB ILE 60 HB ILE 60 -7.423 6.926 -2.984 503 1HG1 ILE 60 HG12 ILE 60 -9.305 5.850 -5.100 504 2HG1 ILE 60 HG11 ILE 60 -7.779 6.664 -5.425 505 1HG2 ILE 60 HG21 ILE 60 -8.721 4.985 -2.246 506 2HG2 ILE 60 HG22 ILE 60 -10.210 5.807 -2.717 507 3HG2 ILE 60 HG23 ILE 60 -9.215 6.460 -1.415 508 1HD1 ILE 60 HD11 ILE 60 -8.128 4.044 -3.982 509 2HD1 ILE 60 HD12 ILE 60 -6.590 4.859 -4.263 510 3HD1 ILE 60 HD13 ILE 60 -7.534 4.267 -5.629 511 H MET 61 HN MET 61 -9.746 8.608 -5.961 512 HA MET 61 HA MET 61 -11.614 8.492 -7.247 513 1HB MET 61 HB2 MET 61 -12.688 6.620 -5.126 514 2HB MET 61 HB1 MET 61 -13.296 6.795 -6.767 515 1HG MET 61 HG2 MET 61 -10.637 5.688 -5.907 516 2HG MET 61 HG1 MET 61 -11.977 4.807 -6.638 517 1HE MET 61 HE1 MET 61 -12.778 5.168 -9.149 518 2HE MET 61 HE2 MET 61 -12.017 6.301 -10.269 519 3HE MET 61 HE3 MET 61 -12.917 6.905 -8.877 520 H ASN 62 HN ASN 62 -11.341 10.368 -4.924 521 HA ASN 62 HA ASN 62 -12.487 12.061 -3.944 522 1HB ASN 62 HB2 ASN 62 -13.490 12.273 -6.243 523 2HB ASN 62 HB1 ASN 62 -14.828 11.271 -5.692 524 1HD2 ASN 62 HD21 ASN 62 -13.210 13.670 -3.704 525 2HD2 ASN 62 HD22 ASN 62 -14.555 14.759 -3.600 526 H THR 63 HN THR 63 -12.854 9.038 -3.334 527 HA THR 63 HA THR 63 -15.345 8.773 -2.004 528 HB THR 63 HB THR 63 -12.770 7.206 -1.816 529 HG1 THR 63 HG1 THR 63 -14.520 7.350 -3.712 530 1HG2 THR 63 HG21 THR 63 -15.482 6.553 -0.674 531 2HG2 THR 63 HG22 THR 63 -13.987 6.832 0.225 532 3HG2 THR 63 HG23 THR 63 -14.143 5.415 -0.811 533 H GLY 64 HN GLY 64 -12.050 9.494 -0.900 534 1HA GLY 64 HA2 GLY 64 -11.895 11.223 0.853 535 2HA GLY 64 HA1 GLY 64 -13.241 10.417 1.643 536 H VAL 65 HN VAL 65 -12.085 7.767 0.965 537 HA VAL 65 HA VAL 65 -10.635 7.353 3.363 538 HB VAL 65 HB VAL 65 -10.976 5.554 0.948 539 1HG1 VAL 65 HG11 VAL 65 -9.950 4.875 3.698 540 2HG1 VAL 65 HG12 VAL 65 -8.999 4.898 2.216 541 3HG1 VAL 65 HG13 VAL 65 -10.294 3.718 2.414 542 1HG2 VAL 65 HG21 VAL 65 -12.618 4.398 2.357 543 2HG2 VAL 65 HG22 VAL 65 -13.074 6.074 2.043 544 3HG2 VAL 65 HG23 VAL 65 -12.391 5.622 3.606 545 H ASP 66 HN ASP 66 -8.498 7.168 3.748 546 HA ASP 66 HA ASP 66 -6.618 7.841 1.616 547 1HB ASP 66 HB2 ASP 66 -6.101 7.417 4.574 548 2HB ASP 66 HB1 ASP 66 -4.974 8.092 3.405 549 H ILE 67 HN ILE 67 -5.565 6.272 0.575 550 HA ILE 67 HA ILE 67 -5.635 3.563 1.656 551 HB ILE 67 HB ILE 67 -4.601 4.570 -1.006 552 1HG1 ILE 67 HG12 ILE 67 -7.009 4.824 -0.831 553 2HG1 ILE 67 HG11 ILE 67 -6.643 3.484 -1.911 554 1HG2 ILE 67 HG21 ILE 67 -4.595 2.192 -1.661 555 2HG2 ILE 67 HG22 ILE 67 -4.992 1.754 0.000 556 3HG2 ILE 67 HG23 ILE 67 -3.455 2.539 -0.361 557 1HD1 ILE 67 HD11 ILE 67 -7.124 1.908 -0.102 558 2HD1 ILE 67 HD12 ILE 67 -8.506 2.944 -0.463 559 3HD1 ILE 67 HD13 ILE 67 -7.514 3.259 0.963 560 H ILE 68 HN ILE 68 -4.108 3.100 3.084 561 HA ILE 68 HA ILE 68 -1.472 4.365 2.733 562 HB ILE 68 HB ILE 68 -1.218 4.168 5.211 563 1HG1 ILE 68 HG12 ILE 68 -4.192 3.590 5.129 564 2HG1 ILE 68 HG11 ILE 68 -2.942 2.439 5.586 565 1HG2 ILE 68 HG21 ILE 68 -1.784 6.280 4.177 566 2HG2 ILE 68 HG22 ILE 68 -2.616 6.114 5.722 567 3HG2 ILE 68 HG23 ILE 68 -3.499 5.868 4.214 568 1HD1 ILE 68 HD11 ILE 68 -3.578 4.994 7.036 569 2HD1 ILE 68 HD12 ILE 68 -2.358 3.808 7.501 570 3HD1 ILE 68 HD13 ILE 68 -4.067 3.373 7.528 571 H CYS 69 HN CYS 69 0.248 3.115 2.603 572 HA CYS 69 HA CYS 69 0.081 0.261 2.740 573 1HB CYS 69 HB2 CYS 69 1.700 1.234 1.249 574 2HB CYS 69 HB1 CYS 69 2.414 2.176 2.552 575 HG CYS 69 HG CYS 69 4.305 0.308 2.063 576 H THR 70 HN THR 70 0.870 -1.115 4.390 577 HA THR 70 HA THR 70 1.326 0.274 6.948 578 HB THR 70 HB THR 70 -1.013 -0.551 6.717 579 HG1 THR 70 HG1 THR 70 0.708 -1.019 8.760 580 1HG2 THR 70 HG21 THR 70 -1.459 -2.951 6.849 581 2HG2 THR 70 HG22 THR 70 0.271 -3.285 6.757 582 3HG2 THR 70 HG23 THR 70 -0.561 -2.556 5.385 583 H LYS 71 HN LYS 71 2.779 -1.709 4.804 584 HA LYS 71 HA LYS 71 3.974 -3.424 6.867 585 1HB LYS 71 HB2 LYS 71 3.077 -4.611 4.917 586 2HB LYS 71 HB1 LYS 71 4.121 -3.677 3.858 587 1HG LYS 71 HG2 LYS 71 6.084 -4.679 4.837 588 2HG LYS 71 HG1 LYS 71 5.090 -5.531 6.021 589 1HD LYS 71 HD2 LYS 71 4.016 -6.792 4.239 590 2HD LYS 71 HD1 LYS 71 4.958 -5.913 3.033 591 1HE LYS 71 HE2 LYS 71 5.875 -8.153 3.516 592 2HE LYS 71 HE1 LYS 71 7.011 -6.857 3.886 593 1HZ LYS 71 HZ1 LYS 71 6.506 -7.061 6.201 594 2HZ LYS 71 HZ2 LYS 71 6.921 -8.591 5.611 595 3HZ LYS 71 HZ3 LYS 71 5.293 -8.210 5.901 596 H ASN 72 HN ASN 72 6.016 -3.190 7.488 597 HA ASN 72 HA ASN 72 7.373 -0.786 6.561 598 1HB ASN 72 HB2 ASN 72 8.103 -2.681 8.810 599 2HB ASN 72 HB1 ASN 72 8.904 -1.158 8.456 600 1HD2 ASN 72 HD21 ASN 72 5.449 -2.018 8.626 601 2HD2 ASN 72 HD22 ASN 72 5.064 -0.873 9.858 602 H LEU 73 HN LEU 73 8.556 -1.035 4.787 603 HA LEU 73 HA LEU 73 10.012 -3.539 4.343 604 1HB LEU 73 HB2 LEU 73 9.689 -1.163 2.507 605 2HB LEU 73 HB1 LEU 73 10.345 -2.729 2.077 606 HG LEU 73 HG LEU 73 7.475 -2.145 2.818 607 1HD1 LEU 73 HD11 LEU 73 7.009 -2.733 0.500 608 2HD1 LEU 73 HD12 LEU 73 8.735 -2.940 0.201 609 3HD1 LEU 73 HD13 LEU 73 8.093 -1.346 0.603 610 1HD2 LEU 73 HD21 LEU 73 8.120 -4.340 3.618 611 2HD2 LEU 73 HD22 LEU 73 8.804 -4.736 2.042 612 3HD2 LEU 73 HD23 LEU 73 7.065 -4.491 2.210 613 HA PRO 74 HA PRO 74 13.779 -1.629 5.866 614 1HB PRO 74 HB2 PRO 74 15.453 -3.481 4.658 615 2HB PRO 74 HB1 PRO 74 14.716 -3.671 6.250 616 1HG PRO 74 HG2 PRO 74 13.858 -4.791 3.622 617 2HG PRO 74 HG1 PRO 74 13.828 -5.540 5.230 618 1HD PRO 74 HD2 PRO 74 11.597 -4.569 4.090 619 2HD PRO 74 HD1 PRO 74 11.878 -4.449 5.840 620 H LYS 75 HN LYS 75 14.961 -0.037 4.990 621 HA LYS 75 HA LYS 75 14.771 0.343 2.109 622 1HB LYS 75 HB2 LYS 75 14.019 2.170 3.570 623 2HB LYS 75 HB1 LYS 75 15.631 2.272 4.267 624 1HG LYS 75 HG2 LYS 75 16.502 2.819 2.000 625 2HG LYS 75 HG1 LYS 75 14.832 2.884 1.430 626 1HD LYS 75 HD2 LYS 75 14.340 4.680 2.971 627 2HD LYS 75 HD1 LYS 75 15.958 4.567 3.666 628 1HE LYS 75 HE2 LYS 75 15.234 5.394 0.859 629 2HE LYS 75 HE1 LYS 75 15.883 6.424 2.135 630 1HZ LYS 75 HZ1 LYS 75 17.261 4.291 0.621 631 2HZ LYS 75 HZ2 LYS 75 17.862 4.838 2.107 632 3HZ LYS 75 HZ3 LYS 75 17.708 5.916 0.803 633 H ASP 76 HN ASP 76 17.295 1.503 4.261 634 HA ASP 76 HA ASP 76 19.266 0.912 2.246 635 1HB ASP 76 HB2 ASP 76 19.408 2.304 4.915 636 2HB ASP 76 HB1 ASP 76 20.850 1.950 3.968 637 H SER 77 HN SER 77 19.454 -1.285 2.143 638 HA SER 77 HA SER 77 20.102 -2.780 4.536 639 1HB SER 77 HB2 SER 77 18.640 -3.751 2.776 640 2HB SER 77 HB1 SER 77 20.000 -3.713 1.655 641 HG SER 77 HG SER 77 19.978 -5.117 4.131 642 H LEU 78 HN LEU 78 22.046 -1.982 5.204 643 HA LEU 78 HA LEU 78 24.330 -2.160 3.408 644 1HB LEU 78 HB2 LEU 78 24.144 -1.235 6.280 645 2HB LEU 78 HB1 LEU 78 25.599 -1.193 5.302 646 HG LEU 78 HG LEU 78 23.070 0.368 4.755 647 1HD1 LEU 78 HD11 LEU 78 25.768 1.273 5.749 648 2HD1 LEU 78 HD12 LEU 78 24.287 1.194 6.702 649 3HD1 LEU 78 HD13 LEU 78 24.406 2.320 5.350 650 1HD2 LEU 78 HD21 LEU 78 24.243 -0.243 2.702 651 2HD2 LEU 78 HD22 LEU 78 25.743 0.413 3.358 652 3HD2 LEU 78 HD23 LEU 78 24.382 1.485 3.026 653 H GLU 79 HN GLU 79 23.631 -4.537 3.409 654 HA GLU 79 HA GLU 79 24.230 -6.108 5.709 655 1HB GLU 79 HB2 GLU 79 23.099 -6.516 3.089 656 2HB GLU 79 HB1 GLU 79 24.268 -7.778 3.455 657 1HG GLU 79 HG2 GLU 79 21.994 -7.000 5.262 658 2HG GLU 79 HG1 GLU 79 21.938 -8.322 4.099 659 H HIS 80 HN HIS 80 26.061 -7.062 6.307 660 HA HIS 80 HA HIS 80 28.461 -6.633 4.767 661 1HB HIS 80 HB2 HIS 80 29.654 -7.730 6.586 662 2HB HIS 80 HB1 HIS 80 28.544 -6.539 7.244 663 HD1 HIS 80 HD1 HIS 80 29.629 -9.932 7.720 664 HD2 HIS 80 HD2 HIS 80 26.045 -7.878 8.228 665 HE1 HIS 80 HE1 HIS 80 28.251 -11.344 9.272 666 HE2 HIS 80 HE2 HIS 80 26.053 -10.137 9.493 667 H HIS 81 HN HIS 81 29.127 -7.904 3.193 668 HA HIS 81 HA HIS 81 27.677 -10.136 2.340 669 1HB HIS 81 HB2 HIS 81 30.509 -9.330 1.652 670 2HB HIS 81 HB1 HIS 81 29.610 -10.594 0.820 671 HD1 HIS 81 HD1 HIS 81 27.297 -9.704 -0.360 672 HD2 HIS 81 HD2 HIS 81 30.176 -6.853 0.602 673 HE1 HIS 81 HE1 HIS 81 26.714 -7.663 -1.708 674 HE2 HIS 81 HE2 HIS 81 28.335 -5.889 -0.946 675 H HIS 82 HN HIS 82 30.850 -10.024 3.974 676 HA HIS 82 HA HIS 82 30.061 -12.465 5.343 677 1HB HIS 82 HB2 HIS 82 31.419 -13.142 3.330 678 2HB HIS 82 HB1 HIS 82 32.784 -12.289 4.046 679 HD1 HIS 82 HD1 HIS 82 30.281 -14.733 5.570 680 HD2 HIS 82 HD2 HIS 82 34.379 -14.182 5.113 681 HE1 HIS 82 HE1 HIS 82 31.362 -16.642 6.797 682 HE2 HIS 82 HE2 HIS 82 33.834 -16.370 6.386 683 H HIS 83 HN HIS 83 33.138 -10.636 5.086 684 HA HIS 83 HA HIS 83 32.830 -9.774 7.840 685 1HB HIS 83 HB2 HIS 83 33.717 -12.152 7.888 686 2HB HIS 83 HB1 HIS 83 35.178 -11.532 7.127 687 HD1 HIS 83 HD1 HIS 83 36.957 -11.291 8.828 688 HD2 HIS 83 HD2 HIS 83 33.206 -10.319 10.347 689 HE1 HIS 83 HE1 HIS 83 37.341 -10.637 11.227 690 HE2 HIS 83 HE2 HIS 83 35.047 -10.173 12.163 691 H HIS 84 HN HIS 84 33.422 -7.747 7.807 692 HA HIS 84 HA HIS 84 36.037 -7.003 6.782 693 1HB HIS 84 HB2 HIS 84 33.478 -6.017 5.578 694 2HB HIS 84 HB1 HIS 84 34.835 -4.908 5.714 695 HD1 HIS 84 HD1 HIS 84 33.407 -7.344 3.492 696 HD2 HIS 84 HD2 HIS 84 37.252 -6.029 4.386 697 HE1 HIS 84 HE1 HIS 84 34.836 -8.021 1.533 698 HE2 HIS 84 HE2 HIS 84 37.100 -7.022 2.006 699 H HIS 85 HN HIS 85 36.969 -5.641 8.176 700 HA HIS 85 HA HIS 85 35.495 -3.502 9.371 701 1HB HIS 85 HB2 HIS 85 35.849 -4.055 11.714 702 2HB HIS 85 HB1 HIS 85 34.887 -5.304 10.942 703 HD1 HIS 85 HD1 HIS 85 37.904 -4.774 12.921 704 HD2 HIS 85 HD2 HIS 85 36.391 -7.747 10.447 705 HE1 HIS 85 HE1 HIS 85 39.234 -6.834 13.457 706 HE2 HIS 85 HE2 HIS 85 38.430 -8.572 11.814
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