NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
597058 | 2n8w | 25868 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 H1 ALA 1 -15.966 -14.531 2.528 2 H2 ALA 1 H2 ALA 1 -16.049 -15.845 1.475 3 H3 ALA 1 H3 ALA 1 -16.758 -14.365 1.048 4 HA ALA 1 HA ALA 1 -13.871 -14.832 1.462 5 HB1 ALA 1 HB1 ALA 1 -13.666 -14.560 -0.989 6 HB2 ALA 1 HB2 ALA 1 -15.423 -14.449 -1.126 7 HB3 ALA 1 HB3 ALA 1 -14.672 -15.950 -0.574 8 H ASP 2 H ASP 2 -12.659 -13.008 1.594 9 HA ASP 2 HA ASP 2 -11.850 -10.931 1.427 10 HB2 ASP 2 HB2 ASP 2 -14.350 -10.395 -0.202 11 HB3 ASP 2 HB3 ASP 2 -13.222 -9.100 0.191 12 H GLU 3 H GLU 3 -15.311 -10.782 2.233 13 HA GLU 3 HA GLU 3 -16.468 -10.084 4.019 14 HB2 GLU 3 HB2 GLU 3 -13.864 -10.235 5.590 15 HB3 GLU 3 HB3 GLU 3 -15.493 -10.319 6.251 16 HG2 GLU 3 HG2 GLU 3 -14.105 -12.392 4.525 17 HG3 GLU 3 HG3 GLU 3 -14.513 -12.529 6.233 18 H ASN 4 H ASN 4 -13.558 -8.512 5.220 19 HA ASN 4 HA ASN 4 -14.805 -6.019 5.691 20 HB2 ASN 4 HB2 ASN 4 -11.808 -6.630 5.584 21 HB3 ASN 4 HB3 ASN 4 -12.551 -5.225 6.348 22 HD21 ASN 4 HD21 ASN 4 -11.878 -8.623 6.648 23 HD22 ASN 4 HD22 ASN 4 -12.365 -8.770 8.296 24 H ILE 5 H ILE 5 -12.590 -7.236 3.218 25 HA ILE 5 HA ILE 5 -12.054 -4.948 1.722 26 HB ILE 5 HB ILE 5 -12.346 -7.844 0.821 27 HG12 ILE 5 HG12 ILE 5 -9.847 -6.236 1.464 28 HG13 ILE 5 HG13 ILE 5 -10.582 -7.445 2.511 29 HG21 ILE 5 HG21 ILE 5 -11.117 -5.562 -0.762 30 HG22 ILE 5 HG22 ILE 5 -12.600 -6.432 -1.159 31 HG23 ILE 5 HG23 ILE 5 -11.047 -7.268 -1.211 32 HD11 ILE 5 HD11 ILE 5 -9.347 -7.949 -0.192 33 HD12 ILE 5 HD12 ILE 5 -10.117 -9.169 0.824 34 HD13 ILE 5 HD13 ILE 5 -8.658 -8.350 1.377 35 H ALA 6 H ALA 6 -14.687 -7.318 1.426 36 HA ALA 6 HA ALA 6 -15.868 -6.456 -0.942 37 HB1 ALA 6 HB1 ALA 6 -17.837 -7.717 -0.205 38 HB2 ALA 6 HB2 ALA 6 -17.204 -7.765 1.444 39 HB3 ALA 6 HB3 ALA 6 -16.352 -8.605 0.145 40 H LYS 7 H LYS 7 -16.380 -5.406 2.383 41 HA LYS 7 HA LYS 7 -18.439 -3.503 1.907 42 HB2 LYS 7 HB2 LYS 7 -18.006 -4.450 4.139 43 HB3 LYS 7 HB3 LYS 7 -16.397 -3.735 4.156 44 HG2 LYS 7 HG2 LYS 7 -17.393 -1.476 4.166 45 HG3 LYS 7 HG3 LYS 7 -19.011 -2.189 4.144 46 HD2 LYS 7 HD2 LYS 7 -18.576 -3.254 6.340 47 HD3 LYS 7 HD3 LYS 7 -16.943 -2.580 6.348 48 HE2 LYS 7 HE2 LYS 7 -17.858 -0.310 6.409 49 HE3 LYS 7 HE3 LYS 7 -19.500 -0.950 6.328 50 HZ1 LYS 7 HZ1 LYS 7 -17.561 -1.386 8.535 51 HZ2 LYS 7 HZ2 LYS 7 -19.103 -2.066 8.450 52 HZ3 LYS 7 HZ3 LYS 7 -18.928 -0.392 8.585 53 H PHE 8 H PHE 8 -14.883 -3.287 2.112 54 HA PHE 8 HA PHE 8 -14.698 -0.458 1.837 55 HB2 PHE 8 HB2 PHE 8 -12.589 -2.611 1.484 56 HB3 PHE 8 HB3 PHE 8 -12.235 -0.890 1.394 57 HD1 PHE 8 HD1 PHE 8 -13.699 0.304 3.581 58 HD2 PHE 8 HD2 PHE 8 -11.647 -3.452 3.467 59 HE1 PHE 8 HE1 PHE 8 -13.387 0.388 6.018 60 HE2 PHE 8 HE2 PHE 8 -11.354 -3.360 5.906 61 HZ PHE 8 HZ PHE 8 -12.225 -1.445 7.184 62 H GLU 9 H GLU 9 -15.069 -2.969 -0.531 63 HA GLU 9 HA GLU 9 -14.142 -1.535 -2.825 64 HB2 GLU 9 HB2 GLU 9 -16.222 -3.759 -2.606 65 HB3 GLU 9 HB3 GLU 9 -15.558 -3.154 -4.123 66 HG2 GLU 9 HG2 GLU 9 -13.289 -3.869 -3.407 67 HG3 GLU 9 HG3 GLU 9 -13.974 -4.513 -1.919 68 H LYS 10 H LYS 10 -17.049 -1.419 -0.917 69 HA LYS 10 HA LYS 10 -18.420 0.436 -2.747 70 HB2 LYS 10 HB2 LYS 10 -19.333 -0.925 -0.175 71 HB3 LYS 10 HB3 LYS 10 -20.317 0.219 -1.087 72 HG2 LYS 10 HG2 LYS 10 -20.291 -1.309 -3.043 73 HG3 LYS 10 HG3 LYS 10 -19.319 -2.465 -2.128 74 HD2 LYS 10 HD2 LYS 10 -22.119 -1.542 -1.357 75 HD3 LYS 10 HD3 LYS 10 -21.748 -3.058 -2.181 76 HE2 LYS 10 HE2 LYS 10 -20.729 -2.300 0.587 77 HE3 LYS 10 HE3 LYS 10 -22.105 -3.353 0.261 78 HZ1 LYS 10 HZ1 LYS 10 -20.667 -4.902 -0.845 79 HZ2 LYS 10 HZ2 LYS 10 -20.055 -4.593 0.698 80 HZ3 LYS 10 HZ3 LYS 10 -19.331 -3.890 -0.651 81 H ALA 11 H ALA 11 -16.512 0.424 0.168 82 HA ALA 11 HA ALA 11 -17.392 3.020 1.144 83 HB1 ALA 11 HB1 ALA 11 -15.014 1.326 1.999 84 HB2 ALA 11 HB2 ALA 11 -16.625 1.277 2.718 85 HB3 ALA 11 HB3 ALA 11 -15.645 2.738 2.854 86 H TYR 12 H TYR 12 -14.728 1.718 -0.736 87 HA TYR 12 HA TYR 12 -13.388 4.287 -1.042 88 HB2 TYR 12 HB2 TYR 12 -12.180 1.974 -0.954 89 HB3 TYR 12 HB3 TYR 12 -12.784 1.709 -2.579 90 HD1 TYR 12 HD2 TYR 12 -12.213 3.841 -4.253 91 HD2 TYR 12 HD1 TYR 12 -9.967 2.754 -0.802 92 HE1 TYR 12 HE2 TYR 12 -10.269 5.064 -5.132 93 HE2 TYR 12 HE1 TYR 12 -8.033 3.963 -1.680 94 HH TYR 12 HH TYR 12 -7.164 4.694 -3.951 95 H LYS 13 H LYS 13 -14.790 5.613 -2.155 96 HA LYS 13 HA LYS 13 -16.108 4.808 -4.624 97 HB2 LYS 13 HB2 LYS 13 -16.878 7.169 -4.718 98 HB3 LYS 13 HB3 LYS 13 -17.238 6.412 -3.171 99 HG2 LYS 13 HG2 LYS 13 -15.168 7.540 -2.248 100 HG3 LYS 13 HG3 LYS 13 -15.072 8.449 -3.761 101 HD2 LYS 13 HD2 LYS 13 -17.216 9.512 -3.329 102 HD3 LYS 13 HD3 LYS 13 -17.519 8.457 -1.943 103 HE2 LYS 13 HE2 LYS 13 -15.469 9.484 -0.853 104 HE3 LYS 13 HE3 LYS 13 -15.449 10.660 -2.172 105 HZ1 LYS 13 HZ1 LYS 13 -16.608 11.471 -0.187 106 HZ2 LYS 13 HZ2 LYS 13 -17.733 10.219 -0.321 107 HZ3 LYS 13 HZ3 LYS 13 -17.636 11.402 -1.526 108 H LYS 14 H LYS 14 -15.756 6.615 -6.500 109 HA LYS 14 HA LYS 14 -13.213 5.962 -7.572 110 HB2 LYS 14 HB2 LYS 14 -15.222 8.006 -8.581 111 HB3 LYS 14 HB3 LYS 14 -13.896 7.319 -9.512 112 HG2 LYS 14 HG2 LYS 14 -14.954 5.091 -9.391 113 HG3 LYS 14 HG3 LYS 14 -16.277 5.764 -8.432 114 HD2 LYS 14 HD2 LYS 14 -15.582 6.479 -11.310 115 HD3 LYS 14 HD3 LYS 14 -16.967 5.524 -10.775 116 HE2 LYS 14 HE2 LYS 14 -17.961 7.453 -9.693 117 HE3 LYS 14 HE3 LYS 14 -16.510 8.420 -9.971 118 HZ1 LYS 14 HZ1 LYS 14 -16.911 8.209 -12.366 119 HZ2 LYS 14 HZ2 LYS 14 -18.175 8.996 -11.568 120 HZ3 LYS 14 HZ3 LYS 14 -18.355 7.388 -12.051 121 H ALA 15 H ALA 15 -11.660 6.776 -6.157 122 HA ALA 15 HA ALA 15 -11.456 9.563 -5.426 123 HB1 ALA 15 HB1 ALA 15 -9.399 8.889 -4.267 124 HB2 ALA 15 HB2 ALA 15 -9.447 7.311 -5.065 125 HB3 ALA 15 HB3 ALA 15 -10.707 7.756 -3.915 126 H GLU 16 H GLU 16 -10.230 7.557 -7.988 127 HA GLU 16 HA GLU 16 -7.898 9.266 -8.523 128 HB2 GLU 16 HB2 GLU 16 -7.145 7.382 -9.955 129 HB3 GLU 16 HB3 GLU 16 -7.474 6.871 -8.303 130 HG2 GLU 16 HG2 GLU 16 -9.705 6.008 -9.069 131 HG3 GLU 16 HG3 GLU 16 -9.251 6.409 -10.724 132 H GLU 17 H GLU 17 -10.863 9.783 -9.255 133 HA GLU 17 HA GLU 17 -10.188 11.101 -11.763 134 HB2 GLU 17 HB2 GLU 17 -12.205 10.327 -12.945 135 HB3 GLU 17 HB3 GLU 17 -11.147 8.973 -12.557 136 HG2 GLU 17 HG2 GLU 17 -12.587 8.272 -10.740 137 HG3 GLU 17 HG3 GLU 17 -13.575 9.724 -10.893 138 H LEU 18 H LEU 18 -10.862 11.665 -8.894 139 HA LEU 18 HA LEU 18 -12.828 13.803 -9.218 140 HB2 LEU 18 HB2 LEU 18 -13.820 11.359 -8.443 141 HB3 LEU 18 HB3 LEU 18 -13.331 11.945 -6.873 142 HG LEU 18 HG LEU 18 -15.738 12.301 -7.323 143 HD11 LEU 18 HD11 LEU 18 -14.271 14.935 -7.122 144 HD12 LEU 18 HD12 LEU 18 -14.645 13.840 -5.793 145 HD13 LEU 18 HD13 LEU 18 -15.952 14.629 -6.668 146 HD21 LEU 18 HD21 LEU 18 -14.876 14.149 -9.569 147 HD22 LEU 18 HD22 LEU 18 -16.530 13.882 -9.008 148 HD23 LEU 18 HD23 LEU 18 -15.632 12.565 -9.758 149 H ASN 19 H ASN 19 -12.613 15.360 -7.416 150 HA ASN 19 HA ASN 19 -9.929 15.384 -6.279 151 HB2 ASN 19 HB2 ASN 19 -12.163 17.437 -6.397 152 HB3 ASN 19 HB3 ASN 19 -10.704 17.711 -5.447 153 HD21 ASN 19 HD21 ASN 19 -10.138 19.488 -6.753 154 HD22 ASN 19 HD22 ASN 19 -9.506 19.282 -8.349 155 H GLN 20 H GLN 20 -11.637 13.361 -5.216 156 HA GLN 20 HA GLN 20 -11.516 14.046 -2.337 157 HB2 GLN 20 HB2 GLN 20 -13.002 11.723 -3.686 158 HB3 GLN 20 HB3 GLN 20 -13.015 12.104 -1.970 159 HG2 GLN 20 HG2 GLN 20 -14.248 13.764 -4.183 160 HG3 GLN 20 HG3 GLN 20 -15.120 12.745 -3.046 161 HE21 GLN 20 HE21 GLN 20 -13.578 15.786 -3.551 162 HE22 GLN 20 HE22 GLN 20 -14.002 16.497 -2.039 163 H GLY 21 H GLY 21 -9.695 13.171 -1.383 164 HA2 GLY 21 HA2 GLY 21 -8.476 10.707 -2.534 165 HA3 GLY 21 HA3 GLY 21 -7.497 12.153 -2.305 166 H GLU 22 H GLU 22 -8.145 13.101 0.061 167 HA GLU 22 HA GLU 22 -6.745 11.530 1.898 168 HB2 GLU 22 HB2 GLU 22 -7.281 13.221 3.558 169 HB3 GLU 22 HB3 GLU 22 -6.914 14.002 2.031 170 HG2 GLU 22 HG2 GLU 22 -9.729 13.530 3.055 171 HG3 GLU 22 HG3 GLU 22 -8.817 15.008 3.338 172 H LEU 23 H LEU 23 -10.166 11.677 1.230 173 HA LEU 23 HA LEU 23 -11.196 10.379 3.554 174 HB2 LEU 23 HB2 LEU 23 -12.342 10.465 0.735 175 HB3 LEU 23 HB3 LEU 23 -13.238 10.041 2.189 176 HG LEU 23 HG LEU 23 -12.077 12.778 1.535 177 HD11 LEU 23 HD11 LEU 23 -14.404 13.509 1.348 178 HD12 LEU 23 HD12 LEU 23 -14.964 11.857 1.619 179 HD13 LEU 23 HD13 LEU 23 -14.027 12.251 0.175 180 HD21 LEU 23 HD21 LEU 23 -11.995 12.408 3.946 181 HD22 LEU 23 HD22 LEU 23 -13.697 11.939 3.962 182 HD23 LEU 23 HD23 LEU 23 -13.237 13.592 3.546 183 H MET 24 H MET 24 -9.500 9.248 0.814 184 HA MET 24 HA MET 24 -10.040 6.401 1.422 185 HB2 MET 24 HB2 MET 24 -10.088 7.811 -1.272 186 HB3 MET 24 HB3 MET 24 -9.864 6.076 -1.137 187 HG2 MET 24 HG2 MET 24 -12.040 5.698 -0.415 188 HG3 MET 24 HG3 MET 24 -12.240 7.336 0.205 189 HE1 MET 24 HE1 MET 24 -11.253 9.165 -2.186 190 HE2 MET 24 HE2 MET 24 -12.719 9.439 -1.237 191 HE3 MET 24 HE3 MET 24 -12.795 9.430 -3.000 192 H GLY 25 H GLY 25 -8.207 5.645 -0.815 193 HA2 GLY 25 HA2 GLY 25 -5.970 5.149 -1.055 194 HA3 GLY 25 HA3 GLY 25 -5.575 6.422 0.097 195 H ARG 26 H ARG 26 -6.600 5.882 2.357 196 HA ARG 26 HA ARG 26 -5.218 3.735 3.501 197 HB2 ARG 26 HB2 ARG 26 -5.975 5.936 4.579 198 HB3 ARG 26 HB3 ARG 26 -7.568 5.212 4.754 199 HG2 ARG 26 HG2 ARG 26 -6.633 3.469 6.215 200 HG3 ARG 26 HG3 ARG 26 -5.014 4.140 5.997 201 HD2 ARG 26 HD2 ARG 26 -5.731 6.239 7.075 202 HD3 ARG 26 HD3 ARG 26 -7.360 5.585 7.262 203 HE ARG 26 HE ARG 26 -6.427 3.917 8.789 204 HH11 ARG 26 HH11 ARG 26 -4.430 6.767 8.200 205 HH12 ARG 26 HH12 ARG 26 -3.566 6.605 9.695 206 HH21 ARG 26 HH21 ARG 26 -5.315 3.759 10.758 207 HH22 ARG 26 HH22 ARG 26 -4.068 4.907 11.140 208 H ALA 27 H ALA 27 -8.449 3.925 2.174 209 HA ALA 27 HA ALA 27 -9.489 1.522 3.280 210 HB1 ALA 27 HB1 ALA 27 -11.194 1.666 1.508 211 HB2 ALA 27 HB2 ALA 27 -10.269 2.951 0.726 212 HB3 ALA 27 HB3 ALA 27 -10.966 3.214 2.323 213 H LEU 28 H LEU 28 -7.796 2.230 0.148 214 HA LEU 28 HA LEU 28 -7.700 -0.459 -0.751 215 HB2 LEU 28 HB2 LEU 28 -6.124 2.006 -1.484 216 HB3 LEU 28 HB3 LEU 28 -5.510 0.450 -2.015 217 HG LEU 28 HG LEU 28 -8.171 1.693 -2.776 218 HD11 LEU 28 HD11 LEU 28 -6.265 2.653 -3.960 219 HD12 LEU 28 HD12 LEU 28 -7.263 1.700 -5.054 220 HD13 LEU 28 HD13 LEU 28 -5.735 1.042 -4.456 221 HD21 LEU 28 HD21 LEU 28 -7.112 -1.041 -3.517 222 HD22 LEU 28 HD22 LEU 28 -8.547 -0.274 -4.198 223 HD23 LEU 28 HD23 LEU 28 -8.504 -0.697 -2.489 224 H TYR 29 H TYR 29 -5.587 1.442 1.334 225 HA TYR 29 HA TYR 29 -3.439 -0.341 1.600 226 HB2 TYR 29 HB2 TYR 29 -3.228 1.957 2.413 227 HB3 TYR 29 HB3 TYR 29 -4.548 1.734 3.556 228 HD1 TYR 29 HD2 TYR 29 -1.036 0.756 2.798 229 HD2 TYR 29 HD1 TYR 29 -4.126 0.760 5.742 230 HE1 TYR 29 HE2 TYR 29 0.563 -0.016 4.491 231 HE2 TYR 29 HE1 TYR 29 -2.529 -0.008 7.432 232 HH TYR 29 HH TYR 29 -0.301 -1.345 7.361 233 H ASN 30 H ASN 30 -6.519 -0.076 3.375 234 HA ASN 30 HA ASN 30 -5.948 -2.076 5.319 235 HB2 ASN 30 HB2 ASN 30 -7.713 -0.158 5.455 236 HB3 ASN 30 HB3 ASN 30 -8.763 -1.234 4.536 237 HD21 ASN 30 HD21 ASN 30 -7.188 -0.687 7.593 238 HD22 ASN 30 HD22 ASN 30 -8.034 -1.911 8.476 239 H ILE 31 H ILE 31 -7.669 -2.074 2.198 240 HA ILE 31 HA ILE 31 -8.544 -4.752 2.119 241 HB ILE 31 HB ILE 31 -7.714 -2.891 -0.167 242 HG12 ILE 31 HG12 ILE 31 -10.509 -3.646 0.807 243 HG13 ILE 31 HG13 ILE 31 -9.702 -2.116 1.135 244 HG21 ILE 31 HG21 ILE 31 -9.181 -5.536 -0.370 245 HG22 ILE 31 HG22 ILE 31 -7.539 -5.217 -0.921 246 HG23 ILE 31 HG23 ILE 31 -8.901 -4.417 -1.702 247 HD11 ILE 31 HD11 ILE 31 -11.337 -1.907 -0.655 248 HD12 ILE 31 HD12 ILE 31 -10.483 -3.133 -1.600 249 HD13 ILE 31 HD13 ILE 31 -9.705 -1.587 -1.244 250 H GLY 32 H GLY 32 -5.500 -3.173 1.242 251 HA2 GLY 32 HA2 GLY 32 -4.136 -5.277 -0.000 252 HA3 GLY 32 HA3 GLY 32 -3.397 -3.901 0.805 253 H LEU 33 H LEU 33 -4.189 -4.225 3.405 254 HA LEU 33 HA LEU 33 -2.446 -6.079 4.534 255 HB2 LEU 33 HB2 LEU 33 -4.981 -4.880 5.735 256 HB3 LEU 33 HB3 LEU 33 -3.765 -5.742 6.668 257 HG LEU 33 HG LEU 33 -3.239 -3.154 5.146 258 HD11 LEU 33 HD11 LEU 33 -3.238 -2.043 7.325 259 HD12 LEU 33 HD12 LEU 33 -3.714 -3.551 8.109 260 HD13 LEU 33 HD13 LEU 33 -4.806 -2.762 6.970 261 HD21 LEU 33 HD21 LEU 33 -1.505 -4.644 7.144 262 HD22 LEU 33 HD22 LEU 33 -1.141 -3.072 6.424 263 HD23 LEU 33 HD23 LEU 33 -1.221 -4.507 5.406 264 H GLU 34 H GLU 34 -5.962 -6.326 4.013 265 HA GLU 34 HA GLU 34 -6.381 -8.878 5.114 266 HB2 GLU 34 HB2 GLU 34 -7.956 -7.472 2.923 267 HB3 GLU 34 HB3 GLU 34 -8.525 -8.855 3.851 268 HG2 GLU 34 HG2 GLU 34 -7.892 -6.120 4.979 269 HG3 GLU 34 HG3 GLU 34 -9.505 -6.723 4.603 270 H LYS 35 H LYS 35 -5.568 -7.907 1.762 271 HA LYS 35 HA LYS 35 -5.933 -10.401 0.497 272 HB2 LYS 35 HB2 LYS 35 -4.026 -8.133 -0.205 273 HB3 LYS 35 HB3 LYS 35 -4.305 -9.519 -1.249 274 HG2 LYS 35 HG2 LYS 35 -6.428 -7.523 -0.409 275 HG3 LYS 35 HG3 LYS 35 -5.544 -7.477 -1.936 276 HD2 LYS 35 HD2 LYS 35 -6.518 -9.705 -2.536 277 HD3 LYS 35 HD3 LYS 35 -7.437 -9.691 -1.025 278 HE2 LYS 35 HE2 LYS 35 -8.568 -7.590 -1.789 279 HE3 LYS 35 HE3 LYS 35 -7.709 -7.717 -3.324 280 HZ1 LYS 35 HZ1 LYS 35 -9.991 -8.582 -3.413 281 HZ2 LYS 35 HZ2 LYS 35 -9.598 -9.756 -2.266 282 HZ3 LYS 35 HZ3 LYS 35 -8.851 -9.771 -3.781 283 H ASN 36 H ASN 36 -3.114 -8.953 2.088 284 HA ASN 36 HA ASN 36 -1.260 -11.065 1.578 285 HB2 ASN 36 HB2 ASN 36 -0.555 -8.734 2.070 286 HB3 ASN 36 HB3 ASN 36 -1.192 -8.873 3.703 287 HD21 ASN 36 HD21 ASN 36 0.886 -8.379 4.539 288 HD22 ASN 36 HD22 ASN 36 2.169 -9.536 4.546 289 H LYS 37 H LYS 37 -3.532 -10.349 4.199 290 HA LYS 37 HA LYS 37 -2.708 -12.334 6.062 291 HB2 LYS 37 HB2 LYS 37 -5.415 -10.974 5.679 292 HB3 LYS 37 HB3 LYS 37 -5.028 -12.026 7.040 293 HG2 LYS 37 HG2 LYS 37 -3.284 -10.473 7.795 294 HG3 LYS 37 HG3 LYS 37 -3.565 -9.445 6.393 295 HD2 LYS 37 HD2 LYS 37 -4.643 -8.455 8.328 296 HD3 LYS 37 HD3 LYS 37 -5.883 -9.009 7.200 297 HE2 LYS 37 HE2 LYS 37 -6.493 -9.538 9.514 298 HE3 LYS 37 HE3 LYS 37 -6.237 -11.022 8.594 299 HZ1 LYS 37 HZ1 LYS 37 -4.230 -9.778 10.403 300 HZ2 LYS 37 HZ2 LYS 37 -4.068 -11.252 9.595 301 HZ3 LYS 37 HZ3 LYS 37 -5.221 -11.080 10.813 302 H MET 38 H MET 38 -4.735 -12.444 3.212 303 HA MET 38 HA MET 38 -5.613 -15.203 3.707 304 HB2 MET 38 HB2 MET 38 -6.226 -13.278 1.428 305 HB3 MET 38 HB3 MET 38 -6.898 -14.899 1.568 306 HG2 MET 38 HG2 MET 38 -8.029 -14.266 3.652 307 HG3 MET 38 HG3 MET 38 -7.333 -12.650 3.550 308 HE1 MET 38 HE1 MET 38 -7.613 -12.022 0.367 309 HE2 MET 38 HE2 MET 38 -7.988 -10.876 1.655 310 HE3 MET 38 HE3 MET 38 -9.169 -11.194 0.385 311 H GLY 39 H GLY 39 -2.821 -13.847 2.576 312 HA2 GLY 39 HA2 GLY 39 -1.007 -15.274 2.026 313 HA3 GLY 39 HA3 GLY 39 -2.097 -16.358 1.178 314 H LYS 40 H LYS 40 -3.374 -13.930 -0.144 315 HA LYS 40 HA LYS 40 -1.647 -13.960 -2.485 316 HB2 LYS 40 HB2 LYS 40 -4.355 -12.626 -2.097 317 HB3 LYS 40 HB3 LYS 40 -3.517 -12.850 -3.630 318 HG2 LYS 40 HG2 LYS 40 -3.705 -15.317 -3.337 319 HG3 LYS 40 HG3 LYS 40 -4.618 -15.056 -1.853 320 HD2 LYS 40 HD2 LYS 40 -5.492 -14.083 -4.603 321 HD3 LYS 40 HD3 LYS 40 -6.023 -15.597 -3.873 322 HE2 LYS 40 HE2 LYS 40 -7.765 -14.002 -3.518 323 HE3 LYS 40 HE3 LYS 40 -6.974 -14.229 -1.962 324 HZ1 LYS 40 HZ1 LYS 40 -7.489 -11.902 -2.494 325 HZ2 LYS 40 HZ2 LYS 40 -6.444 -11.966 -3.819 326 HZ3 LYS 40 HZ3 LYS 40 -5.838 -12.147 -2.248 327 H ALA 41 H ALA 41 0.074 -12.755 -1.446 328 HA ALA 41 HA ALA 41 -0.335 -10.040 -0.571 329 HB1 ALA 41 HB1 ALA 41 1.295 -11.510 0.521 330 HB2 ALA 41 HB2 ALA 41 2.056 -10.042 -0.101 331 HB3 ALA 41 HB3 ALA 41 2.242 -11.571 -0.969 332 H ARG 42 H ARG 42 -0.104 -11.314 -3.677 333 HA ARG 42 HA ARG 42 1.497 -9.320 -4.933 334 HB2 ARG 42 HB2 ARG 42 1.040 -11.443 -6.095 335 HB3 ARG 42 HB3 ARG 42 -0.690 -11.096 -6.103 336 HG2 ARG 42 HG2 ARG 42 0.250 -10.643 -8.305 337 HG3 ARG 42 HG3 ARG 42 -0.286 -9.133 -7.564 338 HD2 ARG 42 HD2 ARG 42 2.319 -9.107 -6.761 339 HD3 ARG 42 HD3 ARG 42 2.494 -10.051 -8.241 340 HE ARG 42 HE ARG 42 1.559 -7.279 -8.000 341 HH11 ARG 42 HH11 ARG 42 2.533 -9.883 -10.167 342 HH12 ARG 42 HH12 ARG 42 2.677 -8.834 -11.541 343 HH21 ARG 42 HH21 ARG 42 1.789 -5.931 -9.794 344 HH22 ARG 42 HH22 ARG 42 2.259 -6.604 -11.328 345 H GLU 43 H GLU 43 -2.090 -9.740 -4.746 346 HA GLU 43 HA GLU 43 -2.765 -7.205 -5.797 347 HB2 GLU 43 HB2 GLU 43 -4.403 -8.899 -3.855 348 HB3 GLU 43 HB3 GLU 43 -5.009 -7.539 -4.788 349 HG2 GLU 43 HG2 GLU 43 -5.772 -9.317 -6.049 350 HG3 GLU 43 HG3 GLU 43 -4.263 -8.951 -6.875 351 H ALA 44 H ALA 44 -2.048 -8.331 -2.539 352 HA ALA 44 HA ALA 44 -2.672 -6.139 -0.961 353 HB1 ALA 44 HB1 ALA 44 -1.847 -8.281 -0.071 354 HB2 ALA 44 HB2 ALA 44 -0.929 -6.921 0.576 355 HB3 ALA 44 HB3 ALA 44 -0.235 -7.929 -0.697 356 H ALA 45 H ALA 45 0.405 -6.792 -2.647 357 HA ALA 45 HA ALA 45 1.760 -4.438 -1.935 358 HB1 ALA 45 HB1 ALA 45 2.181 -6.218 -4.362 359 HB2 ALA 45 HB2 ALA 45 2.888 -6.460 -2.764 360 HB3 ALA 45 HB3 ALA 45 3.346 -5.048 -3.718 361 H GLU 46 H GLU 46 -0.250 -5.229 -4.774 362 HA GLU 46 HA GLU 46 0.172 -2.929 -6.319 363 HB2 GLU 46 HB2 GLU 46 -2.416 -4.529 -6.106 364 HB3 GLU 46 HB3 GLU 46 -1.991 -3.437 -7.419 365 HG2 GLU 46 HG2 GLU 46 -0.704 -6.088 -6.743 366 HG3 GLU 46 HG3 GLU 46 -1.688 -5.711 -8.151 367 H TYR 47 H TYR 47 -2.240 -3.600 -3.800 368 HA TYR 47 HA TYR 47 -3.630 -1.122 -4.035 369 HB2 TYR 47 HB2 TYR 47 -3.626 -3.230 -1.844 370 HB3 TYR 47 HB3 TYR 47 -4.692 -1.826 -1.850 371 HD1 TYR 47 HD2 TYR 47 -5.169 -1.913 -4.972 372 HD2 TYR 47 HD1 TYR 47 -5.428 -4.833 -1.868 373 HE1 TYR 47 HE2 TYR 47 -6.874 -3.138 -6.257 374 HE2 TYR 47 HE1 TYR 47 -7.131 -6.027 -3.139 375 HH TYR 47 HH TYR 47 -8.829 -5.530 -4.921 376 H PHE 48 H PHE 48 -0.944 -2.237 -2.010 377 HA PHE 48 HA PHE 48 -0.874 -0.003 -0.247 378 HB2 PHE 48 HB2 PHE 48 1.328 -1.933 -1.100 379 HB3 PHE 48 HB3 PHE 48 1.559 -0.687 0.122 380 HD1 PHE 48 HD1 PHE 48 -1.133 -0.932 1.515 381 HD2 PHE 48 HD2 PHE 48 1.682 -3.887 0.239 382 HE1 PHE 48 HE1 PHE 48 -1.898 -2.434 3.288 383 HE2 PHE 48 HE2 PHE 48 0.891 -5.391 2.020 384 HZ PHE 48 HZ PHE 48 -0.894 -4.668 3.543 385 H PHE 49 H PHE 49 0.413 -0.611 -3.463 386 HA PHE 49 HA PHE 49 2.074 1.712 -3.629 387 HB2 PHE 49 HB2 PHE 49 2.460 -0.286 -5.039 388 HB3 PHE 49 HB3 PHE 49 0.913 -0.032 -5.844 389 HD1 PHE 49 HD2 PHE 49 3.939 2.030 -5.009 390 HD2 PHE 49 HD1 PHE 49 1.117 0.900 -8.020 391 HE1 PHE 49 HE2 PHE 49 5.069 3.467 -6.627 392 HE2 PHE 49 HE1 PHE 49 2.277 2.353 -9.638 393 HZ PHE 49 HZ PHE 49 4.265 3.644 -8.929 394 H ARG 50 H ARG 50 -1.146 0.895 -4.948 395 HA ARG 50 HA ARG 50 -1.654 3.378 -6.210 396 HB2 ARG 50 HB2 ARG 50 -3.624 1.278 -5.212 397 HB3 ARG 50 HB3 ARG 50 -4.024 2.598 -6.310 398 HG2 ARG 50 HG2 ARG 50 -2.481 1.667 -7.998 399 HG3 ARG 50 HG3 ARG 50 -2.064 0.355 -6.894 400 HD2 ARG 50 HD2 ARG 50 -3.668 -0.474 -8.484 401 HD3 ARG 50 HD3 ARG 50 -4.463 -0.360 -6.913 402 HE ARG 50 HE ARG 50 -5.065 2.009 -8.134 403 HH11 ARG 50 HH11 ARG 50 -5.496 -1.376 -9.070 404 HH12 ARG 50 HH12 ARG 50 -6.912 -1.050 -10.025 405 HH21 ARG 50 HH21 ARG 50 -6.925 2.415 -9.397 406 HH22 ARG 50 HH22 ARG 50 -7.713 1.096 -10.206 407 H ALA 51 H ALA 51 -2.300 2.134 -2.968 408 HA ALA 51 HA ALA 51 -3.761 4.318 -1.917 409 HB1 ALA 51 HB1 ALA 51 -3.628 2.154 -0.761 410 HB2 ALA 51 HB2 ALA 51 -3.081 3.459 0.293 411 HB3 ALA 51 HB3 ALA 51 -1.903 2.388 -0.478 412 H ALA 52 H ALA 52 -0.272 3.547 -2.031 413 HA ALA 52 HA ALA 52 0.687 5.744 -0.564 414 HB1 ALA 52 HB1 ALA 52 2.888 5.219 -1.519 415 HB2 ALA 52 HB2 ALA 52 2.133 4.169 -2.725 416 HB3 ALA 52 HB3 ALA 52 2.051 3.751 -1.011 417 H ILE 53 H ILE 53 -0.116 5.432 -4.011 418 HA ILE 53 HA ILE 53 0.952 7.897 -4.923 419 HB ILE 53 HB ILE 53 -1.428 6.297 -6.005 420 HG12 ILE 53 HG12 ILE 53 1.464 6.378 -6.989 421 HG13 ILE 53 HG13 ILE 53 0.776 5.081 -6.027 422 HG21 ILE 53 HG21 ILE 53 0.106 8.549 -7.358 423 HG22 ILE 53 HG22 ILE 53 -1.561 8.628 -6.785 424 HG23 ILE 53 HG23 ILE 53 -1.138 7.556 -8.120 425 HD11 ILE 53 HD11 ILE 53 0.903 4.454 -8.354 426 HD12 ILE 53 HD12 ILE 53 -0.069 5.848 -8.823 427 HD13 ILE 53 HD13 ILE 53 -0.780 4.560 -7.846 428 H VAL 54 H VAL 54 -2.249 6.989 -3.629 429 HA VAL 54 HA VAL 54 -3.525 9.496 -3.885 430 HB VAL 54 HB VAL 54 -4.115 7.261 -1.885 431 HG11 VAL 54 HG11 VAL 54 -6.388 8.234 -1.728 432 HG12 VAL 54 HG12 VAL 54 -5.891 9.568 -2.774 433 HG13 VAL 54 HG13 VAL 54 -5.159 9.379 -1.180 434 HG21 VAL 54 HG21 VAL 54 -4.233 6.488 -4.227 435 HG22 VAL 54 HG22 VAL 54 -5.346 7.798 -4.618 436 HG23 VAL 54 HG23 VAL 54 -5.839 6.524 -3.497 437 H PHE 55 H PHE 55 -1.799 7.995 -1.127 438 HA PHE 55 HA PHE 55 -2.102 10.062 0.766 439 HB2 PHE 55 HB2 PHE 55 0.119 7.990 0.491 440 HB3 PHE 55 HB3 PHE 55 -0.071 9.046 1.888 441 HD1 PHE 55 HD1 PHE 55 -2.821 8.978 2.642 442 HD2 PHE 55 HD2 PHE 55 -0.448 5.800 1.024 443 HE1 PHE 55 HE1 PHE 55 -4.244 7.314 3.773 444 HE2 PHE 55 HE2 PHE 55 -1.882 4.157 2.150 445 HZ PHE 55 HZ PHE 55 -3.761 4.911 3.525 446 H TYR 56 H TYR 56 0.361 9.444 -1.682 447 HA TYR 56 HA TYR 56 2.256 11.397 -1.011 448 HB2 TYR 56 HB2 TYR 56 2.788 9.568 -2.495 449 HB3 TYR 56 HB3 TYR 56 1.533 10.035 -3.633 450 HD1 TYR 56 HD2 TYR 56 4.481 11.756 -2.018 451 HD2 TYR 56 HD1 TYR 56 2.401 10.830 -5.629 452 HE1 TYR 56 HE2 TYR 56 6.144 13.002 -3.302 453 HE2 TYR 56 HE1 TYR 56 4.058 12.079 -6.909 454 HH TYR 56 HH TYR 56 5.706 13.862 -6.578 455 H LYS 57 H LYS 57 -0.387 11.537 -3.433 456 HA LYS 57 HA LYS 57 -0.087 14.230 -4.175 457 HB2 LYS 57 HB2 LYS 57 -2.292 12.207 -4.447 458 HB3 LYS 57 HB3 LYS 57 -2.722 13.892 -4.707 459 HG2 LYS 57 HG2 LYS 57 -2.227 12.825 -6.816 460 HG3 LYS 57 HG3 LYS 57 -1.022 14.068 -6.465 461 HD2 LYS 57 HD2 LYS 57 0.577 12.314 -5.751 462 HD3 LYS 57 HD3 LYS 57 -0.637 11.073 -6.069 463 HE2 LYS 57 HE2 LYS 57 0.605 12.909 -8.145 464 HE3 LYS 57 HE3 LYS 57 1.001 11.207 -7.896 465 HZ1 LYS 57 HZ1 LYS 57 -0.501 11.354 -9.706 466 HZ2 LYS 57 HZ2 LYS 57 -1.576 12.328 -8.843 467 HZ3 LYS 57 HZ3 LYS 57 -1.372 10.708 -8.407 468 H GLU 58 H GLU 58 -1.976 12.767 -1.551 469 HA GLU 58 HA GLU 58 -3.131 15.312 -0.778 470 HB2 GLU 58 HB2 GLU 58 -3.326 12.590 0.575 471 HB3 GLU 58 HB3 GLU 58 -4.242 14.021 1.040 472 HG2 GLU 58 HG2 GLU 58 -4.426 12.613 -1.641 473 HG3 GLU 58 HG3 GLU 58 -5.568 12.431 -0.314 474 H HIS 59 H HIS 59 -0.170 13.922 -0.333 475 HA HIS 59 HA HIS 59 1.633 14.268 0.943 476 HB2 HIS 59 HB2 HIS 59 0.163 16.842 1.617 477 HB3 HIS 59 HB3 HIS 59 1.841 16.532 2.069 478 HD1 HIS 59 HD1 HIS 59 3.579 16.319 0.104 479 HD2 HIS 59 HD2 HIS 59 -0.211 17.539 -1.073 480 HE1 HIS 59 HE1 HIS 59 3.839 17.171 -2.241 481 HE2 HIS 59 HE2 HIS 59 1.570 18.053 -2.861 482 H ASP 60 H ASP 60 -0.555 12.765 1.990 483 HA ASP 60 HA ASP 60 -0.626 13.030 4.857 484 HB2 ASP 60 HB2 ASP 60 -2.519 12.135 3.398 485 HB3 ASP 60 HB3 ASP 60 -1.544 10.707 3.082 486 H THR 61 H THR 61 1.567 12.976 5.381 487 HA THR 61 HA THR 61 3.512 11.206 4.462 488 HB THR 61 HB THR 61 4.596 11.890 6.858 489 HG1 THR 61 HG1 THR 61 2.327 12.873 7.267 490 HG21 THR 61 HG21 THR 61 4.248 13.821 4.538 491 HG22 THR 61 HG22 THR 61 5.518 12.605 4.723 492 HG23 THR 61 HG23 THR 61 5.440 13.974 5.833 493 H ASP 62 H ASP 62 1.291 10.880 7.219 494 HA ASP 62 HA ASP 62 2.570 8.739 8.533 495 HB2 ASP 62 HB2 ASP 62 0.809 9.983 9.681 496 HB3 ASP 62 HB3 ASP 62 -0.380 9.521 8.467 497 H GLY 63 H GLY 63 -0.190 8.719 6.291 498 HA2 GLY 63 HA2 GLY 63 -0.417 5.921 6.049 499 HA3 GLY 63 HA3 GLY 63 -1.126 7.118 4.976 500 H LEU 64 H LEU 64 1.395 8.318 4.146 501 HA LEU 64 HA LEU 64 2.100 6.612 1.978 502 HB2 LEU 64 HB2 LEU 64 2.240 9.075 1.846 503 HB3 LEU 64 HB3 LEU 64 3.486 9.091 3.081 504 HG LEU 64 HG LEU 64 5.024 7.865 1.491 505 HD11 LEU 64 HD11 LEU 64 3.380 6.772 0.065 506 HD12 LEU 64 HD12 LEU 64 4.487 7.760 -0.890 507 HD13 LEU 64 HD13 LEU 64 2.851 8.338 -0.562 508 HD21 LEU 64 HD21 LEU 64 5.157 10.294 1.721 509 HD22 LEU 64 HD22 LEU 64 3.957 10.496 0.441 510 HD23 LEU 64 HD23 LEU 64 5.531 9.784 0.075 511 H ARG 65 H ARG 65 3.659 7.416 5.043 512 HA ARG 65 HA ARG 65 6.069 5.912 4.742 513 HB2 ARG 65 HB2 ARG 65 5.804 7.781 6.337 514 HB3 ARG 65 HB3 ARG 65 4.571 6.889 7.214 515 HG2 ARG 65 HG2 ARG 65 6.248 5.252 7.953 516 HG3 ARG 65 HG3 ARG 65 7.496 6.079 7.012 517 HD2 ARG 65 HD2 ARG 65 5.915 7.365 9.264 518 HD3 ARG 65 HD3 ARG 65 7.521 6.650 9.462 519 HE ARG 65 HE ARG 65 7.845 8.458 7.447 520 HH11 ARG 65 HH11 ARG 65 6.619 8.719 10.743 521 HH12 ARG 65 HH12 ARG 65 7.125 10.373 10.919 522 HH21 ARG 65 HH21 ARG 65 8.503 10.619 7.708 523 HH22 ARG 65 HH22 ARG 65 8.190 11.444 9.204 524 H ARG 66 H ARG 66 2.879 5.278 5.974 525 HA ARG 66 HA ARG 66 3.370 2.763 7.245 526 HB2 ARG 66 HB2 ARG 66 1.595 4.446 7.850 527 HB3 ARG 66 HB3 ARG 66 0.756 4.050 6.358 528 HG2 ARG 66 HG2 ARG 66 0.339 1.794 7.154 529 HG3 ARG 66 HG3 ARG 66 1.285 2.096 8.614 530 HD2 ARG 66 HD2 ARG 66 -1.270 3.543 7.829 531 HD3 ARG 66 HD3 ARG 66 -1.145 2.271 9.045 532 HE ARG 66 HE ARG 66 -0.285 5.052 9.294 533 HH11 ARG 66 HH11 ARG 66 -0.222 1.830 10.738 534 HH12 ARG 66 HH12 ARG 66 0.209 2.421 12.311 535 HH21 ARG 66 HH21 ARG 66 0.307 5.797 11.347 536 HH22 ARG 66 HH22 ARG 66 0.507 4.672 12.659 537 H ALA 67 H ALA 67 2.226 3.847 4.102 538 HA ALA 67 HA ALA 67 1.434 1.275 3.088 539 HB1 ALA 67 HB1 ALA 67 1.175 2.445 0.938 540 HB2 ALA 67 HB2 ALA 67 1.939 3.886 1.620 541 HB3 ALA 67 HB3 ALA 67 0.386 3.324 2.248 542 H ALA 68 H ALA 68 4.262 3.413 2.782 543 HA ALA 68 HA ALA 68 5.768 1.966 0.900 544 HB1 ALA 68 HB1 ALA 68 7.701 3.238 1.759 545 HB2 ALA 68 HB2 ALA 68 6.772 3.720 3.184 546 HB3 ALA 68 HB3 ALA 68 6.294 4.286 1.581 547 H LYS 69 H LYS 69 5.717 1.875 4.413 548 HA LYS 69 HA LYS 69 7.768 0.039 4.916 549 HB2 LYS 69 HB2 LYS 69 6.721 1.583 6.574 550 HB3 LYS 69 HB3 LYS 69 5.271 0.588 6.541 551 HG2 LYS 69 HG2 LYS 69 6.725 -1.351 7.352 552 HG3 LYS 69 HG3 LYS 69 8.012 -0.162 7.598 553 HD2 LYS 69 HD2 LYS 69 6.802 -0.565 9.701 554 HD3 LYS 69 HD3 LYS 69 6.548 1.098 9.157 555 HE2 LYS 69 HE2 LYS 69 4.351 0.419 8.196 556 HE3 LYS 69 HE3 LYS 69 4.609 -1.217 8.811 557 HZ1 LYS 69 HZ1 LYS 69 4.624 -0.376 11.047 558 HZ2 LYS 69 HZ2 LYS 69 3.208 0.129 10.284 559 HZ3 LYS 69 HZ3 LYS 69 4.478 1.220 10.513 560 H SER 70 H SER 70 4.243 -0.446 4.724 561 HA SER 70 HA SER 70 4.288 -3.270 5.055 562 HB2 SER 70 HB2 SER 70 2.106 -1.446 3.961 563 HB3 SER 70 HB3 SER 70 1.880 -3.127 4.462 564 HG SER 70 HG SER 70 1.937 -0.893 5.975 565 H LEU 71 H LEU 71 4.614 -1.163 2.272 566 HA LEU 71 HA LEU 71 3.716 -2.833 0.194 567 HB2 LEU 71 HB2 LEU 71 4.686 -0.244 0.354 568 HB3 LEU 71 HB3 LEU 71 6.008 -1.032 -0.473 569 HG LEU 71 HG LEU 71 3.121 -1.044 -1.442 570 HD11 LEU 71 HD11 LEU 71 3.834 0.567 -3.145 571 HD12 LEU 71 HD12 LEU 71 5.419 0.681 -2.373 572 HD13 LEU 71 HD13 LEU 71 3.971 1.208 -1.509 573 HD21 LEU 71 HD21 LEU 71 4.011 -1.860 -3.570 574 HD22 LEU 71 HD22 LEU 71 4.369 -2.981 -2.258 575 HD23 LEU 71 HD23 LEU 71 5.638 -1.922 -2.880 576 H LYS 72 H LYS 72 7.032 -2.228 1.397 577 HA LYS 72 HA LYS 72 8.349 -3.970 -0.393 578 HB2 LYS 72 HB2 LYS 72 10.348 -3.597 0.969 579 HB3 LYS 72 HB3 LYS 72 9.469 -2.087 0.764 580 HG2 LYS 72 HG2 LYS 72 8.556 -2.280 3.038 581 HG3 LYS 72 HG3 LYS 72 9.373 -3.831 3.245 582 HD2 LYS 72 HD2 LYS 72 11.575 -2.602 2.884 583 HD3 LYS 72 HD3 LYS 72 10.661 -1.091 2.947 584 HE2 LYS 72 HE2 LYS 72 10.890 -3.154 5.168 585 HE3 LYS 72 HE3 LYS 72 11.661 -1.569 5.128 586 HZ1 LYS 72 HZ1 LYS 72 9.730 -1.497 6.510 587 HZ2 LYS 72 HZ2 LYS 72 8.744 -2.112 5.285 588 HZ3 LYS 72 HZ3 LYS 72 9.434 -0.572 5.129 589 H GLU 73 H GLU 73 6.867 -4.527 2.704 590 HA GLU 73 HA GLU 73 8.137 -7.114 3.149 591 HB2 GLU 73 HB2 GLU 73 6.146 -5.497 4.793 592 HB3 GLU 73 HB3 GLU 73 6.827 -7.045 5.306 593 HG2 GLU 73 HG2 GLU 73 9.085 -6.114 5.295 594 HG3 GLU 73 HG3 GLU 73 8.492 -4.588 4.648 595 H ALA 74 H ALA 74 5.108 -5.882 1.884 596 HA ALA 74 HA ALA 74 3.731 -8.419 1.846 597 HB1 ALA 74 HB1 ALA 74 2.490 -6.299 1.695 598 HB2 ALA 74 HB2 ALA 74 2.170 -7.320 0.294 599 HB3 ALA 74 HB3 ALA 74 3.262 -5.937 0.149 600 H ILE 75 H ILE 75 5.987 -6.722 -0.203 601 HA ILE 75 HA ILE 75 5.763 -8.243 -2.574 602 HB ILE 75 HB ILE 75 7.960 -6.483 -1.459 603 HG12 ILE 75 HG12 ILE 75 6.147 -5.977 -3.854 604 HG13 ILE 75 HG13 ILE 75 5.664 -5.558 -2.214 605 HG21 ILE 75 HG21 ILE 75 9.059 -6.519 -3.669 606 HG22 ILE 75 HG22 ILE 75 7.906 -7.732 -4.227 607 HG23 ILE 75 HG23 ILE 75 9.046 -8.128 -2.942 608 HD11 ILE 75 HD11 ILE 75 8.146 -4.503 -3.537 609 HD12 ILE 75 HD12 ILE 75 7.430 -3.994 -2.009 610 HD13 ILE 75 HD13 ILE 75 6.587 -3.689 -3.522 611 H THR 76 H THR 76 7.899 -8.541 0.249 612 HA THR 76 HA THR 76 9.378 -10.787 -0.721 613 HB THR 76 HB THR 76 10.172 -11.002 1.636 614 HG1 THR 76 HG1 THR 76 9.255 -9.032 2.935 615 HG21 THR 76 HG21 THR 76 11.270 -9.325 0.173 616 HG22 THR 76 HG22 THR 76 11.224 -8.769 1.847 617 HG23 THR 76 HG23 THR 76 10.087 -8.109 0.670 618 H ALA 77 H ALA 77 6.223 -10.431 0.538 619 HA ALA 77 HA ALA 77 5.909 -13.255 1.311 620 HB1 ALA 77 HB1 ALA 77 3.757 -12.511 2.262 621 HB2 ALA 77 HB2 ALA 77 4.032 -10.881 1.637 622 HB3 ALA 77 HB3 ALA 77 5.097 -11.542 2.880 623 H ILE 78 H ILE 78 5.689 -11.514 -1.529 624 HA ILE 78 HA ILE 78 3.223 -12.377 -2.649 625 HB ILE 78 HB ILE 78 5.810 -11.426 -3.948 626 HG12 ILE 78 HG12 ILE 78 3.063 -10.127 -3.692 627 HG13 ILE 78 HG13 ILE 78 4.484 -9.723 -2.741 628 HG21 ILE 78 HG21 ILE 78 4.766 -12.956 -5.572 629 HG22 ILE 78 HG22 ILE 78 4.667 -11.285 -6.130 630 HG23 ILE 78 HG23 ILE 78 3.244 -12.071 -5.439 631 HD11 ILE 78 HD11 ILE 78 4.071 -8.066 -4.452 632 HD12 ILE 78 HD12 ILE 78 4.176 -9.290 -5.717 633 HD13 ILE 78 HD13 ILE 78 5.601 -8.884 -4.751 634 HA PRO 79 HA PRO 79 4.257 -16.749 -3.313 635 HB2 PRO 79 HB2 PRO 79 2.004 -17.503 -4.665 636 HB3 PRO 79 HB3 PRO 79 1.955 -17.085 -2.940 637 HG2 PRO 79 HG2 PRO 79 1.258 -15.360 -5.304 638 HG3 PRO 79 HG3 PRO 79 0.339 -15.621 -3.802 639 HD2 PRO 79 HD2 PRO 79 1.913 -13.440 -4.139 640 HD3 PRO 79 HD3 PRO 79 1.708 -14.210 -2.549 641 H GLU 80 H GLU 80 3.521 -18.210 -5.578 642 HA GLU 80 HA GLU 80 5.598 -17.730 -7.417 643 HB2 GLU 80 HB2 GLU 80 3.099 -19.450 -7.725 644 HB3 GLU 80 HB3 GLU 80 4.391 -19.418 -8.915 645 HG2 GLU 80 HG2 GLU 80 4.583 -21.379 -7.470 646 HG3 GLU 80 HG3 GLU 80 5.969 -20.305 -7.268 647 H GLU 81 H GLU 81 5.235 -17.488 -9.869 648 HA GLU 81 HA GLU 81 5.108 -15.855 -11.426 649 HB2 GLU 81 HB2 GLU 81 2.281 -15.626 -10.314 650 HB3 GLU 81 HB3 GLU 81 2.835 -14.602 -11.634 651 HG2 GLU 81 HG2 GLU 81 2.724 -17.630 -11.692 652 HG3 GLU 81 HG3 GLU 81 1.542 -16.545 -12.422 653 H GLU 82 H GLU 82 6.016 -15.335 -8.650 654 HA GLU 82 HA GLU 82 5.610 -12.745 -7.748 655 HB2 GLU 82 HB2 GLU 82 8.061 -12.947 -6.908 656 HB3 GLU 82 HB3 GLU 82 6.906 -14.149 -6.347 657 HG2 GLU 82 HG2 GLU 82 7.749 -15.701 -8.156 658 HG3 GLU 82 HG3 GLU 82 8.990 -14.507 -8.521 659 H GLY 83 H GLY 83 5.542 -11.029 -9.023 660 HA2 GLY 83 HA2 GLY 83 6.582 -10.803 -11.599 661 HA3 GLY 83 HA3 GLY 83 5.949 -9.487 -10.638 662 H ARG 84 H ARG 84 7.902 -9.740 -8.546 663 HA ARG 84 HA ARG 84 9.854 -8.930 -7.833 664 HB2 ARG 84 HB2 ARG 84 10.874 -10.267 -10.373 665 HB3 ARG 84 HB3 ARG 84 11.939 -9.600 -9.138 666 HG2 ARG 84 HG2 ARG 84 9.949 -11.862 -8.735 667 HG3 ARG 84 HG3 ARG 84 11.699 -12.038 -8.895 668 HD2 ARG 84 HD2 ARG 84 12.000 -10.700 -6.827 669 HD3 ARG 84 HD3 ARG 84 10.248 -10.574 -6.666 670 HE ARG 84 HE ARG 84 10.647 -13.249 -6.734 671 HH11 ARG 84 HH11 ARG 84 12.089 -10.704 -4.764 672 HH12 ARG 84 HH12 ARG 84 12.343 -11.748 -3.403 673 HH21 ARG 84 HH21 ARG 84 10.990 -14.591 -4.934 674 HH22 ARG 84 HH22 ARG 84 11.723 -13.947 -3.498 675 H LYS 85 H LYS 85 10.584 -8.370 -11.286 676 HA LYS 85 HA LYS 85 11.602 -5.745 -10.688 677 HB2 LYS 85 HB2 LYS 85 12.008 -7.650 -12.757 678 HB3 LYS 85 HB3 LYS 85 11.316 -6.263 -13.579 679 HG2 LYS 85 HG2 LYS 85 13.788 -6.206 -11.812 680 HG3 LYS 85 HG3 LYS 85 13.797 -6.246 -13.576 681 HD2 LYS 85 HD2 LYS 85 12.652 -4.043 -13.628 682 HD3 LYS 85 HD3 LYS 85 12.623 -4.016 -11.864 683 HE2 LYS 85 HE2 LYS 85 15.082 -3.962 -11.815 684 HE3 LYS 85 HE3 LYS 85 15.134 -4.023 -13.577 685 HZ1 LYS 85 HZ1 LYS 85 15.411 -1.780 -12.811 686 HZ2 LYS 85 HZ2 LYS 85 13.971 -1.844 -11.926 687 HZ3 LYS 85 HZ3 LYS 85 13.929 -1.904 -13.616 688 H GLU 86 H GLU 86 8.446 -6.640 -10.977 689 HA GLU 86 HA GLU 86 7.650 -3.947 -11.920 690 HB2 GLU 86 HB2 GLU 86 5.388 -4.890 -12.303 691 HB3 GLU 86 HB3 GLU 86 6.621 -5.693 -13.267 692 HG2 GLU 86 HG2 GLU 86 6.625 -7.565 -11.620 693 HG3 GLU 86 HG3 GLU 86 5.309 -6.774 -10.755 694 H ALA 87 H ALA 87 6.854 -6.411 -9.395 695 HA ALA 87 HA ALA 87 5.156 -4.578 -7.967 696 HB1 ALA 87 HB1 ALA 87 4.647 -6.984 -8.069 697 HB2 ALA 87 HB2 ALA 87 4.812 -6.428 -6.402 698 HB3 ALA 87 HB3 ALA 87 6.119 -7.343 -7.160 699 H LYS 88 H LYS 88 8.443 -5.830 -7.545 700 HA LYS 88 HA LYS 88 8.796 -4.909 -4.878 701 HB2 LYS 88 HB2 LYS 88 10.006 -6.837 -5.749 702 HB3 LYS 88 HB3 LYS 88 10.810 -5.849 -6.953 703 HG2 LYS 88 HG2 LYS 88 11.231 -5.064 -4.093 704 HG3 LYS 88 HG3 LYS 88 11.958 -6.590 -4.604 705 HD2 LYS 88 HD2 LYS 88 13.109 -5.388 -6.459 706 HD3 LYS 88 HD3 LYS 88 12.402 -3.873 -5.893 707 HE2 LYS 88 HE2 LYS 88 13.618 -4.099 -3.767 708 HE3 LYS 88 HE3 LYS 88 14.312 -5.625 -4.322 709 HZ1 LYS 88 HZ1 LYS 88 14.732 -2.971 -5.578 710 HZ2 LYS 88 HZ2 LYS 88 15.364 -4.427 -6.144 711 HZ3 LYS 88 HZ3 LYS 88 15.852 -3.826 -4.646 712 H GLU 89 H GLU 89 9.423 -3.556 -8.033 713 HA GLU 89 HA GLU 89 11.055 -1.365 -7.320 714 HB2 GLU 89 HB2 GLU 89 9.158 -1.678 -9.675 715 HB3 GLU 89 HB3 GLU 89 10.435 -0.470 -9.545 716 HG2 GLU 89 HG2 GLU 89 10.843 -3.472 -9.627 717 HG3 GLU 89 HG3 GLU 89 11.097 -2.363 -10.969 718 H MET 90 H MET 90 7.610 -1.858 -7.162 719 HA MET 90 HA MET 90 6.693 0.798 -6.933 720 HB2 MET 90 HB2 MET 90 5.559 -1.709 -5.666 721 HB3 MET 90 HB3 MET 90 4.701 -0.187 -5.856 722 HG2 MET 90 HG2 MET 90 4.955 -0.447 -8.341 723 HG3 MET 90 HG3 MET 90 5.598 -2.067 -8.042 724 HE1 MET 90 HE1 MET 90 3.607 -2.570 -5.293 725 HE2 MET 90 HE2 MET 90 4.147 -3.821 -6.411 726 HE3 MET 90 HE3 MET 90 2.427 -3.605 -6.096 727 H ALA 91 H ALA 91 8.011 -1.452 -4.531 728 HA ALA 91 HA ALA 91 7.566 0.061 -2.188 729 HB1 ALA 91 HB1 ALA 91 9.799 -1.890 -2.839 730 HB2 ALA 91 HB2 ALA 91 8.260 -2.266 -2.072 731 HB3 ALA 91 HB3 ALA 91 9.434 -1.265 -1.225 732 H LYS 92 H LYS 92 10.206 -0.007 -4.561 733 HA LYS 92 HA LYS 92 11.934 1.858 -3.338 734 HB2 LYS 92 HB2 LYS 92 11.669 1.180 -6.299 735 HB3 LYS 92 HB3 LYS 92 13.023 2.032 -5.562 736 HG2 LYS 92 HG2 LYS 92 13.437 -0.040 -4.151 737 HG3 LYS 92 HG3 LYS 92 12.214 -0.858 -5.122 738 HD2 LYS 92 HD2 LYS 92 14.308 -1.479 -6.071 739 HD3 LYS 92 HD3 LYS 92 13.623 -0.288 -7.174 740 HE2 LYS 92 HE2 LYS 92 15.715 0.338 -5.062 741 HE3 LYS 92 HE3 LYS 92 16.076 -0.019 -6.748 742 HZ1 LYS 92 HZ1 LYS 92 14.756 1.940 -7.370 743 HZ2 LYS 92 HZ2 LYS 92 16.074 2.333 -6.394 744 HZ3 LYS 92 HZ3 LYS 92 14.523 2.302 -5.735 745 H LYS 93 H LYS 93 9.219 2.254 -5.599 746 HA LYS 93 HA LYS 93 9.433 5.011 -6.159 747 HB2 LYS 93 HB2 LYS 93 6.994 3.208 -5.909 748 HB3 LYS 93 HB3 LYS 93 6.887 4.870 -6.470 749 HG2 LYS 93 HG2 LYS 93 8.584 2.774 -7.846 750 HG3 LYS 93 HG3 LYS 93 6.889 3.064 -8.249 751 HD2 LYS 93 HD2 LYS 93 7.462 5.443 -8.782 752 HD3 LYS 93 HD3 LYS 93 9.156 5.079 -8.461 753 HE2 LYS 93 HE2 LYS 93 9.111 3.391 -10.284 754 HE3 LYS 93 HE3 LYS 93 7.432 3.833 -10.615 755 HZ1 LYS 93 HZ1 LYS 93 8.168 6.067 -11.145 756 HZ2 LYS 93 HZ2 LYS 93 8.953 4.936 -12.122 757 HZ3 LYS 93 HZ3 LYS 93 9.772 5.644 -10.827 758 H ALA 94 H ALA 94 7.670 3.277 -3.611 759 HA ALA 94 HA ALA 94 6.542 5.516 -2.313 760 HB1 ALA 94 HB1 ALA 94 5.956 3.924 -0.543 761 HB2 ALA 94 HB2 ALA 94 7.063 2.730 -1.231 762 HB3 ALA 94 HB3 ALA 94 5.637 3.241 -2.137 763 H GLU 95 H GLU 95 9.642 3.853 -1.926 764 HA GLU 95 HA GLU 95 10.616 5.101 0.396 765 HB2 GLU 95 HB2 GLU 95 12.111 4.233 -2.118 766 HB3 GLU 95 HB3 GLU 95 12.905 4.733 -0.634 767 HG2 GLU 95 HG2 GLU 95 11.112 2.322 -0.961 768 HG3 GLU 95 HG3 GLU 95 12.873 2.301 -0.893 769 H GLU 96 H GLU 96 10.841 6.048 -3.038 770 HA GLU 96 HA GLU 96 12.468 8.322 -2.678 771 HB2 GLU 96 HB2 GLU 96 10.567 7.692 -4.973 772 HB3 GLU 96 HB3 GLU 96 11.849 8.898 -5.013 773 HG2 GLU 96 HG2 GLU 96 12.115 5.899 -4.893 774 HG3 GLU 96 HG3 GLU 96 12.648 6.976 -6.172 775 H TRP 97 H TRP 97 8.962 7.945 -2.938 776 HA TRP 97 HA TRP 97 8.234 10.670 -2.968 777 HB2 TRP 97 HB2 TRP 97 6.664 8.247 -1.970 778 HB3 TRP 97 HB3 TRP 97 5.970 9.834 -2.284 779 HD1 TRP 97 HD1 TRP 97 7.848 10.019 -5.134 780 HE1 TRP 97 HE1 TRP 97 6.859 8.820 -7.181 781 HE3 TRP 97 HE3 TRP 97 4.529 6.905 -2.776 782 HZ2 TRP 97 HZ2 TRP 97 4.969 6.860 -7.743 783 HZ3 TRP 97 HZ3 TRP 97 3.161 5.400 -4.176 784 HH2 TRP 97 HH2 TRP 97 3.382 5.394 -6.598 785 H LEU 98 H LEU 98 8.605 8.308 -0.342 786 HA LEU 98 HA LEU 98 7.628 9.885 1.773 787 HB2 LEU 98 HB2 LEU 98 7.812 7.427 1.860 788 HB3 LEU 98 HB3 LEU 98 9.563 7.543 1.818 789 HG LEU 98 HG LEU 98 9.563 8.630 4.048 790 HD11 LEU 98 HD11 LEU 98 6.557 8.276 3.977 791 HD12 LEU 98 HD12 LEU 98 7.447 9.802 3.967 792 HD13 LEU 98 HD13 LEU 98 7.504 8.762 5.388 793 HD21 LEU 98 HD21 LEU 98 9.772 6.193 3.935 794 HD22 LEU 98 HD22 LEU 98 8.016 6.019 4.010 795 HD23 LEU 98 HD23 LEU 98 8.897 6.682 5.388 796 H GLN 99 H GLN 99 10.983 9.285 0.673 797 HA GLN 99 HA GLN 99 12.272 10.747 2.742 798 HB2 GLN 99 HB2 GLN 99 13.286 10.031 -0.035 799 HB3 GLN 99 HB3 GLN 99 14.293 10.611 1.285 800 HG2 GLN 99 HG2 GLN 99 12.703 8.032 1.369 801 HG3 GLN 99 HG3 GLN 99 14.390 8.141 0.877 802 HE21 GLN 99 HE21 GLN 99 15.078 6.771 2.528 803 HE22 GLN 99 HE22 GLN 99 15.118 7.253 4.187 804 H ALA 100 H ALA 100 11.098 11.646 -0.474 805 HA ALA 100 HA ALA 100 12.242 14.279 -0.500 806 HB1 ALA 100 HB1 ALA 100 10.848 14.626 -2.500 807 HB2 ALA 100 HB2 ALA 100 10.001 13.108 -2.174 808 HB3 ALA 100 HB3 ALA 100 11.720 13.094 -2.577 809 H GLU 101 H GLU 101 9.195 12.879 0.630 810 HA GLU 101 HA GLU 101 7.781 15.289 1.163 811 HB2 GLU 101 HB2 GLU 101 7.579 12.484 2.322 812 HB3 GLU 101 HB3 GLU 101 6.589 13.792 2.956 813 HG2 GLU 101 HG2 GLU 101 6.574 12.838 0.085 814 HG3 GLU 101 HG3 GLU 101 5.405 12.379 1.317 815 H GLN 102 H GLN 102 10.313 13.572 2.891 816 HA GLN 102 HA GLN 102 10.012 15.126 5.334 817 HB2 GLN 102 HB2 GLN 102 12.295 13.246 4.594 818 HB3 GLN 102 HB3 GLN 102 11.895 13.850 6.200 819 HG2 GLN 102 HG2 GLN 102 10.310 11.890 4.528 820 HG3 GLN 102 HG3 GLN 102 11.166 11.559 6.030 821 HE21 GLN 102 HE21 GLN 102 8.329 11.182 5.258 822 HE22 GLN 102 HE22 GLN 102 7.393 12.019 6.450 823 H ASN 103 H ASN 103 12.918 14.612 3.300 824 HA ASN 103 HA ASN 103 14.634 15.945 2.648 825 HB2 ASN 103 HB2 ASN 103 12.740 16.719 1.150 826 HB3 ASN 103 HB3 ASN 103 12.455 18.056 2.262 827 HD21 ASN 103 HD21 ASN 103 12.884 19.605 0.665 828 HD22 ASN 103 HD22 ASN 103 14.470 19.918 0.059 829 H ASN 104 H ASN 104 14.229 15.877 5.450 830 HA ASN 104 HA ASN 104 14.464 18.538 6.583 831 HB2 ASN 104 HB2 ASN 104 13.165 16.768 7.744 832 HB3 ASN 104 HB3 ASN 104 14.616 15.775 7.869 833 HD21 ASN 104 HD21 ASN 104 14.495 15.700 10.122 834 HD22 ASN 104 HD22 ASN 104 14.843 17.066 11.124 Start of MODEL 2 1 H1 ALA 1 H1 ALA 1 -11.319 -14.583 1.003 2 H2 ALA 1 H2 ALA 1 -10.876 -15.545 2.315 3 H3 ALA 1 H3 ALA 1 -9.854 -14.313 1.785 4 HA ALA 1 HA ALA 1 -12.517 -13.981 3.004 5 HB1 ALA 1 HB1 ALA 1 -11.302 -12.934 4.876 6 HB2 ALA 1 HB2 ALA 1 -9.764 -13.256 4.068 7 HB3 ALA 1 HB3 ALA 1 -10.765 -14.598 4.630 8 H ASP 2 H ASP 2 -13.293 -12.697 1.316 9 HA ASP 2 HA ASP 2 -12.148 -9.962 1.125 10 HB2 ASP 2 HB2 ASP 2 -13.899 -11.392 -0.934 11 HB3 ASP 2 HB3 ASP 2 -13.304 -9.738 -1.072 12 H GLU 3 H GLU 3 -14.016 -11.278 3.078 13 HA GLU 3 HA GLU 3 -16.685 -10.385 2.757 14 HB2 GLU 3 HB2 GLU 3 -15.574 -12.187 4.372 15 HB3 GLU 3 HB3 GLU 3 -15.375 -10.841 5.475 16 HG2 GLU 3 HG2 GLU 3 -18.021 -11.818 4.371 17 HG3 GLU 3 HG3 GLU 3 -17.370 -12.260 5.945 18 H ASN 4 H ASN 4 -13.928 -9.062 4.575 19 HA ASN 4 HA ASN 4 -15.210 -6.635 5.408 20 HB2 ASN 4 HB2 ASN 4 -12.211 -7.262 5.321 21 HB3 ASN 4 HB3 ASN 4 -12.972 -5.945 6.208 22 HD21 ASN 4 HD21 ASN 4 -12.136 -6.644 8.185 23 HD22 ASN 4 HD22 ASN 4 -12.711 -8.059 8.987 24 H ILE 5 H ILE 5 -13.052 -7.621 2.801 25 HA ILE 5 HA ILE 5 -12.283 -5.139 1.763 26 HB ILE 5 HB ILE 5 -12.494 -7.875 0.453 27 HG12 ILE 5 HG12 ILE 5 -10.124 -6.295 1.553 28 HG13 ILE 5 HG13 ILE 5 -10.840 -7.738 2.259 29 HG21 ILE 5 HG21 ILE 5 -12.651 -6.221 -1.348 30 HG22 ILE 5 HG22 ILE 5 -11.094 -7.048 -1.405 31 HG23 ILE 5 HG23 ILE 5 -11.200 -5.411 -0.751 32 HD11 ILE 5 HD11 ILE 5 -9.367 -7.602 -0.366 33 HD12 ILE 5 HD12 ILE 5 -10.091 -9.049 0.341 34 HD13 ILE 5 HD13 ILE 5 -8.755 -8.244 1.156 35 H ALA 6 H ALA 6 -15.140 -7.121 1.065 36 HA ALA 6 HA ALA 6 -16.093 -5.853 -1.258 37 HB1 ALA 6 HB1 ALA 6 -18.259 -6.912 -0.725 38 HB2 ALA 6 HB2 ALA 6 -17.704 -7.241 0.919 39 HB3 ALA 6 HB3 ALA 6 -16.924 -8.034 -0.450 40 H LYS 7 H LYS 7 -16.331 -4.938 2.100 41 HA LYS 7 HA LYS 7 -18.296 -2.851 1.774 42 HB2 LYS 7 HB2 LYS 7 -16.326 -3.328 4.051 43 HB3 LYS 7 HB3 LYS 7 -17.753 -2.290 4.114 44 HG2 LYS 7 HG2 LYS 7 -19.203 -4.266 3.763 45 HG3 LYS 7 HG3 LYS 7 -17.772 -5.301 3.715 46 HD2 LYS 7 HD2 LYS 7 -17.243 -4.682 6.051 47 HD3 LYS 7 HD3 LYS 7 -18.667 -3.634 6.100 48 HE2 LYS 7 HE2 LYS 7 -19.107 -5.797 7.192 49 HE3 LYS 7 HE3 LYS 7 -20.123 -5.601 5.760 50 HZ1 LYS 7 HZ1 LYS 7 -19.181 -7.807 5.860 51 HZ2 LYS 7 HZ2 LYS 7 -17.617 -7.184 5.919 52 HZ3 LYS 7 HZ3 LYS 7 -18.549 -6.985 4.528 53 H PHE 8 H PHE 8 -14.756 -3.058 1.971 54 HA PHE 8 HA PHE 8 -14.222 -0.259 1.842 55 HB2 PHE 8 HB2 PHE 8 -12.378 -2.582 1.148 56 HB3 PHE 8 HB3 PHE 8 -11.870 -0.912 1.379 57 HD1 PHE 8 HD1 PHE 8 -13.037 0.043 3.784 58 HD2 PHE 8 HD2 PHE 8 -11.697 -3.936 2.942 59 HE1 PHE 8 HE1 PHE 8 -12.704 -0.369 6.189 60 HE2 PHE 8 HE2 PHE 8 -11.377 -4.336 5.349 61 HZ PHE 8 HZ PHE 8 -11.881 -2.555 6.973 62 H GLU 9 H GLU 9 -14.971 -2.633 -0.585 63 HA GLU 9 HA GLU 9 -14.103 -1.271 -2.909 64 HB2 GLU 9 HB2 GLU 9 -16.501 -3.125 -2.549 65 HB3 GLU 9 HB3 GLU 9 -15.869 -2.598 -4.106 66 HG2 GLU 9 HG2 GLU 9 -14.474 -4.342 -2.070 67 HG3 GLU 9 HG3 GLU 9 -15.113 -4.844 -3.631 68 H LYS 10 H LYS 10 -17.240 -1.259 -1.203 69 HA LYS 10 HA LYS 10 -18.491 0.687 -2.865 70 HB2 LYS 10 HB2 LYS 10 -19.182 -0.111 -0.003 71 HB3 LYS 10 HB3 LYS 10 -20.230 0.778 -1.108 72 HG2 LYS 10 HG2 LYS 10 -20.191 -1.223 -2.644 73 HG3 LYS 10 HG3 LYS 10 -19.317 -2.104 -1.385 74 HD2 LYS 10 HD2 LYS 10 -21.236 -1.750 0.168 75 HD3 LYS 10 HD3 LYS 10 -22.101 -0.890 -1.109 76 HE2 LYS 10 HE2 LYS 10 -22.048 -2.963 -2.487 77 HE3 LYS 10 HE3 LYS 10 -21.266 -3.806 -1.149 78 HZ1 LYS 10 HZ1 LYS 10 -23.537 -4.298 -1.005 79 HZ2 LYS 10 HZ2 LYS 10 -24.001 -2.696 -1.249 80 HZ3 LYS 10 HZ3 LYS 10 -23.263 -3.146 0.199 81 H ALA 11 H ALA 11 -16.493 0.836 0.003 82 HA ALA 11 HA ALA 11 -16.873 3.582 0.668 83 HB1 ALA 11 HB1 ALA 11 -16.008 1.945 2.291 84 HB2 ALA 11 HB2 ALA 11 -14.880 3.287 2.090 85 HB3 ALA 11 HB3 ALA 11 -14.551 1.732 1.319 86 H TYR 12 H TYR 12 -14.641 1.835 -1.481 87 HA TYR 12 HA TYR 12 -13.109 4.284 -1.976 88 HB2 TYR 12 HB2 TYR 12 -12.045 1.890 -1.555 89 HB3 TYR 12 HB3 TYR 12 -12.344 1.668 -3.277 90 HD1 TYR 12 HD1 TYR 12 -11.359 3.494 -4.902 91 HD2 TYR 12 HD2 TYR 12 -10.139 3.088 -0.835 92 HE1 TYR 12 HE1 TYR 12 -9.342 4.823 -5.365 93 HE2 TYR 12 HE2 TYR 12 -8.137 4.391 -1.303 94 HH TYR 12 HH TYR 12 -7.667 6.102 -4.235 95 H LYS 13 H LYS 13 -14.287 5.509 -3.239 96 HA LYS 13 HA LYS 13 -15.647 4.619 -5.646 97 HB2 LYS 13 HB2 LYS 13 -15.406 7.361 -4.347 98 HB3 LYS 13 HB3 LYS 13 -16.534 6.929 -5.625 99 HG2 LYS 13 HG2 LYS 13 -16.535 5.701 -2.849 100 HG3 LYS 13 HG3 LYS 13 -17.563 7.046 -3.343 101 HD2 LYS 13 HD2 LYS 13 -17.601 4.262 -4.576 102 HD3 LYS 13 HD3 LYS 13 -18.759 4.867 -3.391 103 HE2 LYS 13 HE2 LYS 13 -18.342 5.952 -6.199 104 HE3 LYS 13 HE3 LYS 13 -19.712 4.995 -5.642 105 HZ1 LYS 13 HZ1 LYS 13 -20.276 6.787 -4.110 106 HZ2 LYS 13 HZ2 LYS 13 -20.274 7.319 -5.714 107 HZ3 LYS 13 HZ3 LYS 13 -18.987 7.713 -4.695 108 H LYS 14 H LYS 14 -12.619 4.686 -5.511 109 HA LYS 14 HA LYS 14 -10.848 5.057 -6.843 110 HB2 LYS 14 HB2 LYS 14 -13.048 5.842 -8.729 111 HB3 LYS 14 HB3 LYS 14 -11.424 6.327 -9.164 112 HG2 LYS 14 HG2 LYS 14 -12.101 4.256 -10.277 113 HG3 LYS 14 HG3 LYS 14 -10.691 4.021 -9.258 114 HD2 LYS 14 HD2 LYS 14 -13.403 3.335 -8.116 115 HD3 LYS 14 HD3 LYS 14 -12.708 2.248 -9.317 116 HE2 LYS 14 HE2 LYS 14 -10.641 2.107 -7.857 117 HE3 LYS 14 HE3 LYS 14 -11.522 3.013 -6.627 118 HZ1 LYS 14 HZ1 LYS 14 -13.200 1.229 -6.651 119 HZ2 LYS 14 HZ2 LYS 14 -11.673 0.687 -6.167 120 HZ3 LYS 14 HZ3 LYS 14 -12.230 0.355 -7.726 121 H ALA 15 H ALA 15 -9.307 6.471 -6.269 122 HA ALA 15 HA ALA 15 -10.036 9.310 -5.833 123 HB1 ALA 15 HB1 ALA 15 -9.608 8.076 -3.732 124 HB2 ALA 15 HB2 ALA 15 -8.394 9.328 -3.996 125 HB3 ALA 15 HB3 ALA 15 -7.999 7.636 -4.314 126 H GLU 16 H GLU 16 -8.807 7.869 -8.248 127 HA GLU 16 HA GLU 16 -6.225 9.315 -8.478 128 HB2 GLU 16 HB2 GLU 16 -7.270 7.078 -10.267 129 HB3 GLU 16 HB3 GLU 16 -5.636 7.734 -10.227 130 HG2 GLU 16 HG2 GLU 16 -5.258 6.775 -8.019 131 HG3 GLU 16 HG3 GLU 16 -6.932 6.224 -7.944 132 H GLU 17 H GLU 17 -8.912 8.257 -10.592 133 HA GLU 17 HA GLU 17 -8.750 10.323 -12.508 134 HB2 GLU 17 HB2 GLU 17 -11.028 9.584 -13.198 135 HB3 GLU 17 HB3 GLU 17 -9.925 8.230 -12.977 136 HG2 GLU 17 HG2 GLU 17 -10.919 7.861 -10.697 137 HG3 GLU 17 HG3 GLU 17 -12.097 9.121 -11.057 138 H LEU 18 H LEU 18 -10.543 10.022 -9.499 139 HA LEU 18 HA LEU 18 -11.647 12.722 -9.653 140 HB2 LEU 18 HB2 LEU 18 -11.754 10.714 -7.354 141 HB3 LEU 18 HB3 LEU 18 -12.720 12.173 -7.514 142 HG LEU 18 HG LEU 18 -12.954 9.650 -9.207 143 HD11 LEU 18 HD11 LEU 18 -15.204 9.452 -8.225 144 HD12 LEU 18 HD12 LEU 18 -14.885 10.856 -7.200 145 HD13 LEU 18 HD13 LEU 18 -13.935 9.380 -7.002 146 HD21 LEU 18 HD21 LEU 18 -13.352 11.569 -10.641 147 HD22 LEU 18 HD22 LEU 18 -14.508 12.239 -9.490 148 HD23 LEU 18 HD23 LEU 18 -14.870 10.728 -10.327 149 H ASN 19 H ASN 19 -10.712 14.442 -8.649 150 HA ASN 19 HA ASN 19 -8.089 14.297 -7.507 151 HB2 ASN 19 HB2 ASN 19 -8.958 16.278 -8.804 152 HB3 ASN 19 HB3 ASN 19 -10.046 16.645 -7.470 153 HD21 ASN 19 HD21 ASN 19 -6.695 16.512 -8.483 154 HD22 ASN 19 HD22 ASN 19 -6.069 17.547 -7.249 155 H GLN 20 H GLN 20 -11.276 14.023 -6.285 156 HA GLN 20 HA GLN 20 -11.011 14.435 -3.519 157 HB2 GLN 20 HB2 GLN 20 -12.631 12.245 -4.910 158 HB3 GLN 20 HB3 GLN 20 -12.949 12.934 -3.318 159 HG2 GLN 20 HG2 GLN 20 -13.578 15.054 -4.292 160 HG3 GLN 20 HG3 GLN 20 -13.074 14.521 -5.893 161 HE21 GLN 20 HE21 GLN 20 -14.386 12.988 -6.998 162 HE22 GLN 20 HE22 GLN 20 -16.039 12.739 -6.568 163 H GLY 21 H GLY 21 -9.513 13.508 -2.210 164 HA2 GLY 21 HA2 GLY 21 -8.611 10.711 -2.725 165 HA3 GLY 21 HA3 GLY 21 -7.539 11.984 -2.156 166 H GLU 22 H GLU 22 -9.110 13.215 -0.305 167 HA GLU 22 HA GLU 22 -8.658 11.812 2.051 168 HB2 GLU 22 HB2 GLU 22 -9.876 13.586 3.215 169 HB3 GLU 22 HB3 GLU 22 -8.849 14.275 1.974 170 HG2 GLU 22 HG2 GLU 22 -11.837 13.858 1.657 171 HG3 GLU 22 HG3 GLU 22 -11.111 15.353 2.227 172 H LEU 23 H LEU 23 -11.509 11.900 0.044 173 HA LEU 23 HA LEU 23 -13.374 10.818 1.898 174 HB2 LEU 23 HB2 LEU 23 -13.465 10.729 -1.132 175 HB3 LEU 23 HB3 LEU 23 -14.827 10.465 -0.055 176 HG LEU 23 HG LEU 23 -13.334 13.089 -0.445 177 HD11 LEU 23 HD11 LEU 23 -14.786 12.526 -2.329 178 HD12 LEU 23 HD12 LEU 23 -15.401 13.913 -1.434 179 HD13 LEU 23 HD13 LEU 23 -16.159 12.330 -1.232 180 HD21 LEU 23 HD21 LEU 23 -15.022 14.107 1.038 181 HD22 LEU 23 HD22 LEU 23 -14.048 12.909 1.885 182 HD23 LEU 23 HD23 LEU 23 -15.692 12.509 1.378 183 H MET 24 H MET 24 -10.947 9.412 -0.124 184 HA MET 24 HA MET 24 -11.763 6.662 0.620 185 HB2 MET 24 HB2 MET 24 -10.617 7.632 -2.026 186 HB3 MET 24 HB3 MET 24 -10.738 5.943 -1.564 187 HG2 MET 24 HG2 MET 24 -12.585 6.369 -2.973 188 HG3 MET 24 HG3 MET 24 -13.223 6.270 -1.336 189 HE1 MET 24 HE1 MET 24 -12.730 10.222 -3.662 190 HE2 MET 24 HE2 MET 24 -12.312 8.639 -4.330 191 HE3 MET 24 HE3 MET 24 -11.344 9.340 -3.028 192 H GLY 25 H GLY 25 -8.825 6.801 -1.174 193 HA2 GLY 25 HA2 GLY 25 -6.651 6.442 -0.710 194 HA3 GLY 25 HA3 GLY 25 -6.856 7.447 0.721 195 H ARG 26 H ARG 26 -7.737 6.384 2.623 196 HA ARG 26 HA ARG 26 -6.120 4.318 3.523 197 HB2 ARG 26 HB2 ARG 26 -8.716 5.442 4.651 198 HB3 ARG 26 HB3 ARG 26 -7.735 4.271 5.522 199 HG2 ARG 26 HG2 ARG 26 -6.657 6.948 4.598 200 HG3 ARG 26 HG3 ARG 26 -7.406 6.704 6.174 201 HD2 ARG 26 HD2 ARG 26 -5.667 5.100 6.805 202 HD3 ARG 26 HD3 ARG 26 -4.957 5.180 5.188 203 HE ARG 26 HE ARG 26 -4.866 7.755 6.011 204 HH11 ARG 26 HH11 ARG 26 -3.719 4.773 7.511 205 HH12 ARG 26 HH12 ARG 26 -2.412 5.554 8.343 206 HH21 ARG 26 HH21 ARG 26 -3.108 8.744 7.026 207 HH22 ARG 26 HH22 ARG 26 -2.066 7.818 8.065 208 H ALA 27 H ALA 27 -9.314 4.102 2.050 209 HA ALA 27 HA ALA 27 -10.113 1.588 3.037 210 HB1 ALA 27 HB1 ALA 27 -10.951 2.897 0.433 211 HB2 ALA 27 HB2 ALA 27 -11.701 3.152 2.003 212 HB3 ALA 27 HB3 ALA 27 -11.788 1.564 1.247 213 H LEU 28 H LEU 28 -8.118 2.401 0.136 214 HA LEU 28 HA LEU 28 -7.991 -0.286 -0.810 215 HB2 LEU 28 HB2 LEU 28 -6.374 2.156 -1.480 216 HB3 LEU 28 HB3 LEU 28 -5.786 0.589 -2.004 217 HG LEU 28 HG LEU 28 -8.393 1.901 -2.811 218 HD11 LEU 28 HD11 LEU 28 -5.983 1.168 -4.472 219 HD12 LEU 28 HD12 LEU 28 -6.435 2.794 -3.946 220 HD13 LEU 28 HD13 LEU 28 -7.476 1.908 -5.060 221 HD21 LEU 28 HD21 LEU 28 -8.804 -0.474 -2.525 222 HD22 LEU 28 HD22 LEU 28 -7.431 -0.859 -3.557 223 HD23 LEU 28 HD23 LEU 28 -8.836 -0.034 -4.227 224 H TYR 29 H TYR 29 -6.083 1.583 1.454 225 HA TYR 29 HA TYR 29 -3.845 -0.095 1.745 226 HB2 TYR 29 HB2 TYR 29 -3.842 2.188 2.660 227 HB3 TYR 29 HB3 TYR 29 -5.151 1.791 3.767 228 HD1 TYR 29 HD2 TYR 29 -1.695 0.574 2.910 229 HD2 TYR 29 HD1 TYR 29 -4.536 1.332 6.015 230 HE1 TYR 29 HE2 TYR 29 -0.037 -0.088 4.580 231 HE2 TYR 29 HE1 TYR 29 -2.867 0.658 7.692 232 HH TYR 29 HH TYR 29 -0.820 -0.741 7.778 233 H ASN 30 H ASN 30 -7.023 -0.077 3.381 234 HA ASN 30 HA ASN 30 -6.535 -2.221 5.183 235 HB2 ASN 30 HB2 ASN 30 -9.173 -1.143 4.110 236 HB3 ASN 30 HB3 ASN 30 -9.057 -2.362 5.375 237 HD21 ASN 30 HD21 ASN 30 -8.910 0.983 4.670 238 HD22 ASN 30 HD22 ASN 30 -8.603 1.520 6.282 239 H ILE 31 H ILE 31 -7.749 -2.144 1.834 240 HA ILE 31 HA ILE 31 -8.568 -4.850 1.646 241 HB ILE 31 HB ILE 31 -7.634 -2.917 -0.531 242 HG12 ILE 31 HG12 ILE 31 -10.462 -3.731 0.293 243 HG13 ILE 31 HG13 ILE 31 -9.675 -2.232 0.763 244 HG21 ILE 31 HG21 ILE 31 -7.394 -5.236 -1.343 245 HG22 ILE 31 HG22 ILE 31 -8.709 -4.413 -2.181 246 HG23 ILE 31 HG23 ILE 31 -9.068 -5.574 -0.901 247 HD11 ILE 31 HD11 ILE 31 -9.590 -1.545 -1.572 248 HD12 ILE 31 HD12 ILE 31 -11.235 -1.864 -1.028 249 HD13 ILE 31 HD13 ILE 31 -10.403 -3.040 -2.045 250 H GLY 32 H GLY 32 -5.509 -3.161 1.028 251 HA2 GLY 32 HA2 GLY 32 -3.961 -5.285 0.028 252 HA3 GLY 32 HA3 GLY 32 -3.347 -3.829 0.795 253 H LEU 33 H LEU 33 -4.463 -4.108 3.366 254 HA LEU 33 HA LEU 33 -2.647 -5.749 4.735 255 HB2 LEU 33 HB2 LEU 33 -5.335 -4.656 5.674 256 HB3 LEU 33 HB3 LEU 33 -4.181 -5.440 6.744 257 HG LEU 33 HG LEU 33 -3.659 -2.855 5.218 258 HD11 LEU 33 HD11 LEU 33 -3.831 -1.722 7.384 259 HD12 LEU 33 HD12 LEU 33 -4.261 -3.246 8.167 260 HD13 LEU 33 HD13 LEU 33 -5.343 -2.533 6.968 261 HD21 LEU 33 HD21 LEU 33 -1.628 -2.673 6.603 262 HD22 LEU 33 HD22 LEU 33 -1.590 -4.107 5.581 263 HD23 LEU 33 HD23 LEU 33 -1.951 -4.263 7.303 264 H GLU 34 H GLU 34 -6.063 -6.301 3.902 265 HA GLU 34 HA GLU 34 -6.421 -8.840 5.060 266 HB2 GLU 34 HB2 GLU 34 -7.801 -7.575 2.659 267 HB3 GLU 34 HB3 GLU 34 -8.348 -9.054 3.436 268 HG2 GLU 34 HG2 GLU 34 -8.210 -6.327 4.746 269 HG3 GLU 34 HG3 GLU 34 -9.666 -7.098 4.117 270 H LYS 35 H LYS 35 -5.350 -7.880 1.796 271 HA LYS 35 HA LYS 35 -5.241 -10.430 0.595 272 HB2 LYS 35 HB2 LYS 35 -3.571 -7.948 0.010 273 HB3 LYS 35 HB3 LYS 35 -3.632 -9.365 -1.030 274 HG2 LYS 35 HG2 LYS 35 -5.967 -7.561 -0.369 275 HG3 LYS 35 HG3 LYS 35 -5.030 -7.517 -1.861 276 HD2 LYS 35 HD2 LYS 35 -5.790 -9.834 -2.383 277 HD3 LYS 35 HD3 LYS 35 -6.739 -9.845 -0.895 278 HE2 LYS 35 HE2 LYS 35 -8.043 -7.898 -1.765 279 HE3 LYS 35 HE3 LYS 35 -7.145 -8.015 -3.280 280 HZ1 LYS 35 HZ1 LYS 35 -8.005 -10.321 -3.476 281 HZ2 LYS 35 HZ2 LYS 35 -9.207 -9.139 -3.538 282 HZ3 LYS 35 HZ3 LYS 35 -8.982 -10.042 -2.128 283 H ASN 36 H ASN 36 -2.808 -8.551 2.382 284 HA ASN 36 HA ASN 36 -0.599 -10.295 2.005 285 HB2 ASN 36 HB2 ASN 36 -0.598 -7.799 2.788 286 HB3 ASN 36 HB3 ASN 36 -0.910 -8.429 4.406 287 HD21 ASN 36 HD21 ASN 36 1.055 -7.707 5.232 288 HD22 ASN 36 HD22 ASN 36 2.582 -8.388 4.781 289 H LYS 37 H LYS 37 -3.135 -10.094 4.437 290 HA LYS 37 HA LYS 37 -2.117 -12.075 6.227 291 HB2 LYS 37 HB2 LYS 37 -4.925 -10.963 5.892 292 HB3 LYS 37 HB3 LYS 37 -4.431 -12.014 7.212 293 HG2 LYS 37 HG2 LYS 37 -2.994 -9.402 6.757 294 HG3 LYS 37 HG3 LYS 37 -4.558 -9.415 7.553 295 HD2 LYS 37 HD2 LYS 37 -2.885 -9.357 9.261 296 HD3 LYS 37 HD3 LYS 37 -3.596 -10.963 9.293 297 HE2 LYS 37 HE2 LYS 37 -1.045 -10.519 7.745 298 HE3 LYS 37 HE3 LYS 37 -0.973 -10.634 9.501 299 HZ1 LYS 37 HZ1 LYS 37 -1.858 -12.813 9.435 300 HZ2 LYS 37 HZ2 LYS 37 -0.627 -12.762 8.283 301 HZ3 LYS 37 HZ3 LYS 37 -2.241 -12.706 7.798 302 H MET 38 H MET 38 -4.100 -12.201 3.337 303 HA MET 38 HA MET 38 -4.828 -15.008 3.667 304 HB2 MET 38 HB2 MET 38 -5.260 -13.025 1.394 305 HB3 MET 38 HB3 MET 38 -5.767 -14.707 1.300 306 HG2 MET 38 HG2 MET 38 -7.227 -14.331 3.280 307 HG3 MET 38 HG3 MET 38 -6.777 -12.629 3.248 308 HE1 MET 38 HE1 MET 38 -8.470 -11.334 -0.003 309 HE2 MET 38 HE2 MET 38 -6.774 -11.773 0.207 310 HE3 MET 38 HE3 MET 38 -7.627 -10.889 1.477 311 H GLY 39 H GLY 39 -1.968 -13.541 2.915 312 HA2 GLY 39 HA2 GLY 39 0.000 -14.421 2.076 313 HA3 GLY 39 HA3 GLY 39 -0.861 -15.860 1.554 314 H LYS 40 H LYS 40 -2.569 -13.277 0.409 315 HA LYS 40 HA LYS 40 -1.574 -13.493 -2.317 316 HB2 LYS 40 HB2 LYS 40 -3.916 -11.914 -1.153 317 HB3 LYS 40 HB3 LYS 40 -3.565 -12.094 -2.871 318 HG2 LYS 40 HG2 LYS 40 -3.839 -14.568 -2.605 319 HG3 LYS 40 HG3 LYS 40 -4.357 -14.289 -0.941 320 HD2 LYS 40 HD2 LYS 40 -6.298 -13.006 -1.739 321 HD3 LYS 40 HD3 LYS 40 -5.744 -13.171 -3.410 322 HE2 LYS 40 HE2 LYS 40 -5.961 -15.663 -3.165 323 HE3 LYS 40 HE3 LYS 40 -6.671 -15.399 -1.571 324 HZ1 LYS 40 HZ1 LYS 40 -8.455 -14.181 -2.594 325 HZ2 LYS 40 HZ2 LYS 40 -8.338 -15.714 -3.290 326 HZ3 LYS 40 HZ3 LYS 40 -7.763 -14.361 -4.123 327 H ALA 41 H ALA 41 0.461 -12.596 -1.353 328 HA ALA 41 HA ALA 41 0.691 -9.936 -0.433 329 HB1 ALA 41 HB1 ALA 41 2.809 -11.835 -1.485 330 HB2 ALA 41 HB2 ALA 41 2.236 -11.738 0.182 331 HB3 ALA 41 HB3 ALA 41 3.093 -10.376 -0.530 332 H ARG 42 H ARG 42 0.567 -11.280 -3.618 333 HA ARG 42 HA ARG 42 1.904 -9.276 -5.094 334 HB2 ARG 42 HB2 ARG 42 1.484 -11.424 -6.117 335 HB3 ARG 42 HB3 ARG 42 -0.253 -11.289 -5.851 336 HG2 ARG 42 HG2 ARG 42 0.419 -10.958 -8.227 337 HG3 ARG 42 HG3 ARG 42 -0.429 -9.565 -7.548 338 HD2 ARG 42 HD2 ARG 42 1.655 -8.342 -7.305 339 HD3 ARG 42 HD3 ARG 42 2.588 -9.772 -7.763 340 HE ARG 42 HE ARG 42 1.770 -9.575 -9.979 341 HH11 ARG 42 HH11 ARG 42 1.001 -6.766 -8.009 342 HH12 ARG 42 HH12 ARG 42 0.744 -5.741 -9.384 343 HH21 ARG 42 HH21 ARG 42 1.427 -8.247 -11.749 344 HH22 ARG 42 HH22 ARG 42 0.984 -6.578 -11.507 345 H GLU 43 H GLU 43 -1.593 -9.759 -4.406 346 HA GLU 43 HA GLU 43 -2.375 -7.219 -5.463 347 HB2 GLU 43 HB2 GLU 43 -3.891 -9.103 -3.622 348 HB3 GLU 43 HB3 GLU 43 -4.560 -7.617 -4.288 349 HG2 GLU 43 HG2 GLU 43 -5.386 -9.363 -5.648 350 HG3 GLU 43 HG3 GLU 43 -4.135 -8.562 -6.595 351 H ALA 44 H ALA 44 -1.366 -8.375 -2.296 352 HA ALA 44 HA ALA 44 -2.222 -6.274 -0.659 353 HB1 ALA 44 HB1 ALA 44 0.334 -7.898 -0.420 354 HB2 ALA 44 HB2 ALA 44 -1.249 -8.358 0.208 355 HB3 ALA 44 HB3 ALA 44 -0.424 -6.950 0.871 356 H ALA 45 H ALA 45 0.887 -6.703 -2.329 357 HA ALA 45 HA ALA 45 2.161 -4.369 -1.518 358 HB1 ALA 45 HB1 ALA 45 2.587 -5.929 -4.088 359 HB2 ALA 45 HB2 ALA 45 3.330 -6.289 -2.529 360 HB3 ALA 45 HB3 ALA 45 3.728 -4.786 -3.363 361 H GLU 46 H GLU 46 0.148 -4.977 -4.421 362 HA GLU 46 HA GLU 46 0.622 -2.394 -5.575 363 HB2 GLU 46 HB2 GLU 46 -1.107 -2.947 -7.225 364 HB3 GLU 46 HB3 GLU 46 0.034 -4.273 -7.028 365 HG2 GLU 46 HG2 GLU 46 -1.557 -5.498 -5.673 366 HG3 GLU 46 HG3 GLU 46 -2.701 -4.155 -5.740 367 H TYR 47 H TYR 47 -1.925 -3.694 -3.442 368 HA TYR 47 HA TYR 47 -3.660 -1.424 -3.707 369 HB2 TYR 47 HB2 TYR 47 -3.528 -3.713 -1.722 370 HB3 TYR 47 HB3 TYR 47 -4.632 -2.363 -1.454 371 HD1 TYR 47 HD1 TYR 47 -5.729 -1.666 -3.947 372 HD2 TYR 47 HD2 TYR 47 -4.757 -5.583 -2.574 373 HE1 TYR 47 HE1 TYR 47 -7.392 -2.604 -5.457 374 HE2 TYR 47 HE2 TYR 47 -6.428 -6.526 -4.103 375 HH TYR 47 HH TYR 47 -7.828 -4.733 -6.610 376 H PHE 48 H PHE 48 -0.986 -2.206 -1.560 377 HA PHE 48 HA PHE 48 -1.144 0.092 0.100 378 HB2 PHE 48 HB2 PHE 48 1.303 -1.543 -0.707 379 HB3 PHE 48 HB3 PHE 48 1.274 -0.349 0.589 380 HD1 PHE 48 HD1 PHE 48 -1.338 -0.973 1.878 381 HD2 PHE 48 HD2 PHE 48 1.721 -3.594 0.449 382 HE1 PHE 48 HE1 PHE 48 -2.053 -2.682 3.477 383 HE2 PHE 48 HE2 PHE 48 0.990 -5.312 2.053 384 HZ PHE 48 HZ PHE 48 -0.896 -4.860 3.566 385 H PHE 49 H PHE 49 0.306 -0.547 -3.059 386 HA PHE 49 HA PHE 49 1.775 1.872 -3.336 387 HB2 PHE 49 HB2 PHE 49 2.274 -0.172 -4.651 388 HB3 PHE 49 HB3 PHE 49 0.732 -0.027 -5.490 389 HD1 PHE 49 HD2 PHE 49 3.731 2.089 -4.738 390 HD2 PHE 49 HD1 PHE 49 0.829 0.938 -7.667 391 HE1 PHE 49 HE2 PHE 49 4.845 3.477 -6.404 392 HE2 PHE 49 HE1 PHE 49 1.976 2.347 -9.337 393 HZ PHE 49 HZ PHE 49 4.006 3.616 -8.697 394 H ARG 50 H ARG 50 -1.422 0.865 -4.513 395 HA ARG 50 HA ARG 50 -2.079 3.116 -6.087 396 HB2 ARG 50 HB2 ARG 50 -3.914 1.148 -4.651 397 HB3 ARG 50 HB3 ARG 50 -4.432 2.258 -5.910 398 HG2 ARG 50 HG2 ARG 50 -3.184 1.067 -7.588 399 HG3 ARG 50 HG3 ARG 50 -2.370 0.086 -6.371 400 HD2 ARG 50 HD2 ARG 50 -4.568 -0.936 -5.769 401 HD3 ARG 50 HD3 ARG 50 -5.340 0.005 -7.044 402 HE ARG 50 HE ARG 50 -3.369 -2.170 -7.456 403 HH11 ARG 50 HH11 ARG 50 -6.009 -0.215 -8.701 404 HH12 ARG 50 HH12 ARG 50 -6.160 -1.154 -10.150 405 HH21 ARG 50 HH21 ARG 50 -3.616 -3.397 -9.331 406 HH22 ARG 50 HH22 ARG 50 -4.811 -2.946 -10.505 407 H ALA 51 H ALA 51 -2.755 2.213 -2.733 408 HA ALA 51 HA ALA 51 -4.193 4.513 -1.925 409 HB1 ALA 51 HB1 ALA 51 -3.747 3.722 0.368 410 HB2 ALA 51 HB2 ALA 51 -2.562 2.568 -0.250 411 HB3 ALA 51 HB3 ALA 51 -4.268 2.395 -0.669 412 H ALA 52 H ALA 52 -0.731 3.665 -1.975 413 HA ALA 52 HA ALA 52 0.275 5.777 -0.396 414 HB1 ALA 52 HB1 ALA 52 1.729 4.242 -2.581 415 HB2 ALA 52 HB2 ALA 52 1.604 3.767 -0.888 416 HB3 ALA 52 HB3 ALA 52 2.482 5.233 -1.318 417 H ILE 53 H ILE 53 -0.465 5.590 -3.848 418 HA ILE 53 HA ILE 53 0.688 8.017 -4.729 419 HB ILE 53 HB ILE 53 -1.809 6.576 -5.760 420 HG12 ILE 53 HG12 ILE 53 1.058 6.466 -6.800 421 HG13 ILE 53 HG13 ILE 53 0.313 5.223 -5.814 422 HG21 ILE 53 HG21 ILE 53 -1.495 7.820 -7.887 423 HG22 ILE 53 HG22 ILE 53 -0.177 8.734 -7.157 424 HG23 ILE 53 HG23 ILE 53 -1.820 8.917 -6.539 425 HD11 ILE 53 HD11 ILE 53 0.366 4.573 -8.130 426 HD12 ILE 53 HD12 ILE 53 -0.526 6.021 -8.595 427 HD13 ILE 53 HD13 ILE 53 -1.301 4.784 -7.599 428 H VAL 54 H VAL 54 -2.411 7.267 -3.224 429 HA VAL 54 HA VAL 54 -3.597 9.862 -3.499 430 HB VAL 54 HB VAL 54 -4.393 7.597 -1.616 431 HG11 VAL 54 HG11 VAL 54 -5.446 9.729 -1.005 432 HG12 VAL 54 HG12 VAL 54 -6.651 8.633 -1.689 433 HG13 VAL 54 HG13 VAL 54 -6.004 9.955 -2.665 434 HG21 VAL 54 HG21 VAL 54 -5.967 6.903 -3.404 435 HG22 VAL 54 HG22 VAL 54 -4.289 6.799 -3.938 436 HG23 VAL 54 HG23 VAL 54 -5.300 8.143 -4.470 437 H PHE 55 H PHE 55 -1.824 8.153 -0.958 438 HA PHE 55 HA PHE 55 -2.018 10.215 1.026 439 HB2 PHE 55 HB2 PHE 55 0.031 7.971 0.788 440 HB3 PHE 55 HB3 PHE 55 -0.257 8.954 2.221 441 HD1 PHE 55 HD1 PHE 55 -3.211 8.994 2.418 442 HD2 PHE 55 HD2 PHE 55 -0.585 5.776 1.392 443 HE1 PHE 55 HE1 PHE 55 -4.871 7.366 3.224 444 HE2 PHE 55 HE2 PHE 55 -2.256 4.162 2.198 445 HZ PHE 55 HZ PHE 55 -4.395 4.952 3.110 446 H TYR 56 H TYR 56 0.089 9.600 -1.681 447 HA TYR 56 HA TYR 56 2.236 11.348 -0.905 448 HB2 TYR 56 HB2 TYR 56 2.725 9.503 -2.408 449 HB3 TYR 56 HB3 TYR 56 1.503 10.038 -3.558 450 HD1 TYR 56 HD2 TYR 56 4.601 11.374 -1.877 451 HD2 TYR 56 HD1 TYR 56 2.272 11.199 -5.462 452 HE1 TYR 56 HE2 TYR 56 6.290 12.704 -3.036 453 HE2 TYR 56 HE1 TYR 56 3.957 12.549 -6.616 454 HH TYR 56 HH TYR 56 5.735 14.137 -6.084 455 H LYS 57 H LYS 57 -0.464 11.598 -3.240 456 HA LYS 57 HA LYS 57 0.116 14.184 -4.184 457 HB2 LYS 57 HB2 LYS 57 -2.063 14.174 -5.228 458 HB3 LYS 57 HB3 LYS 57 -1.383 12.559 -5.355 459 HG2 LYS 57 HG2 LYS 57 -2.802 11.818 -3.467 460 HG3 LYS 57 HG3 LYS 57 -3.492 13.437 -3.367 461 HD2 LYS 57 HD2 LYS 57 -5.057 12.061 -4.564 462 HD3 LYS 57 HD3 LYS 57 -4.321 13.154 -5.737 463 HE2 LYS 57 HE2 LYS 57 -2.787 11.308 -6.434 464 HE3 LYS 57 HE3 LYS 57 -3.607 10.234 -5.297 465 HZ1 LYS 57 HZ1 LYS 57 -4.736 11.498 -7.724 466 HZ2 LYS 57 HZ2 LYS 57 -5.694 10.755 -6.553 467 HZ3 LYS 57 HZ3 LYS 57 -4.554 9.850 -7.403 468 H GLU 58 H GLU 58 -1.832 13.084 -1.439 469 HA GLU 58 HA GLU 58 -2.656 15.782 -0.691 470 HB2 GLU 58 HB2 GLU 58 -2.981 13.126 0.758 471 HB3 GLU 58 HB3 GLU 58 -3.716 14.653 1.251 472 HG2 GLU 58 HG2 GLU 58 -4.978 14.711 -0.901 473 HG3 GLU 58 HG3 GLU 58 -4.287 13.140 -1.315 474 H HIS 59 H HIS 59 0.091 13.858 -0.280 475 HA HIS 59 HA HIS 59 2.021 14.061 0.832 476 HB2 HIS 59 HB2 HIS 59 0.964 16.844 1.462 477 HB3 HIS 59 HB3 HIS 59 2.601 16.326 1.854 478 HD1 HIS 59 HD1 HIS 59 4.250 15.965 -0.083 479 HD2 HIS 59 HD2 HIS 59 0.532 17.341 -1.306 480 HE1 HIS 59 HE1 HIS 59 4.549 16.688 -2.458 481 HE2 HIS 59 HE2 HIS 59 2.248 17.321 -3.226 482 H ASP 60 H ASP 60 -0.302 12.918 2.140 483 HA ASP 60 HA ASP 60 0.082 13.239 4.995 484 HB2 ASP 60 HB2 ASP 60 -2.133 12.602 4.194 485 HB3 ASP 60 HB3 ASP 60 -1.479 11.217 3.331 486 H THR 61 H THR 61 2.182 12.830 5.403 487 HA THR 61 HA THR 61 3.781 10.758 4.400 488 HB THR 61 HB THR 61 5.212 11.255 6.487 489 HG1 THR 61 HG1 THR 61 3.164 12.118 7.580 490 HG21 THR 61 HG21 THR 61 5.675 12.364 4.368 491 HG22 THR 61 HG22 THR 61 5.884 13.499 5.703 492 HG23 THR 61 HG23 THR 61 4.433 13.580 4.697 493 H ASP 62 H ASP 62 1.439 10.804 6.998 494 HA ASP 62 HA ASP 62 2.440 8.664 8.565 495 HB2 ASP 62 HB2 ASP 62 0.793 10.328 9.421 496 HB3 ASP 62 HB3 ASP 62 -0.433 9.699 8.317 497 H GLY 63 H GLY 63 -0.278 8.798 6.247 498 HA2 GLY 63 HA2 GLY 63 -0.705 5.992 6.072 499 HA3 GLY 63 HA3 GLY 63 -1.319 7.216 4.972 500 H LEU 64 H LEU 64 1.203 8.273 4.140 501 HA LEU 64 HA LEU 64 1.881 6.576 1.993 502 HB2 LEU 64 HB2 LEU 64 2.187 9.034 1.969 503 HB3 LEU 64 HB3 LEU 64 3.432 8.900 3.196 504 HG LEU 64 HG LEU 64 4.871 7.642 1.559 505 HD11 LEU 64 HD11 LEU 64 4.335 7.650 -0.827 506 HD12 LEU 64 HD12 LEU 64 2.740 8.322 -0.482 507 HD13 LEU 64 HD13 LEU 64 3.162 6.707 0.096 508 HD21 LEU 64 HD21 LEU 64 5.186 10.046 1.874 509 HD22 LEU 64 HD22 LEU 64 4.003 10.383 0.606 510 HD23 LEU 64 HD23 LEU 64 5.518 9.570 0.208 511 H ARG 65 H ARG 65 3.317 7.067 5.172 512 HA ARG 65 HA ARG 65 5.663 5.458 4.811 513 HB2 ARG 65 HB2 ARG 65 5.451 7.270 6.521 514 HB3 ARG 65 HB3 ARG 65 4.257 6.306 7.381 515 HG2 ARG 65 HG2 ARG 65 5.987 4.573 7.806 516 HG3 ARG 65 HG3 ARG 65 7.175 5.571 6.959 517 HD2 ARG 65 HD2 ARG 65 6.805 7.378 8.620 518 HD3 ARG 65 HD3 ARG 65 5.663 6.338 9.478 519 HE ARG 65 HE ARG 65 8.494 5.595 9.110 520 HH11 ARG 65 HH11 ARG 65 5.736 6.041 11.226 521 HH12 ARG 65 HH12 ARG 65 6.555 5.426 12.625 522 HH21 ARG 65 HH21 ARG 65 9.577 4.822 10.932 523 HH22 ARG 65 HH22 ARG 65 8.748 4.730 12.454 524 H ARG 66 H ARG 66 2.467 4.969 6.282 525 HA ARG 66 HA ARG 66 2.760 2.337 7.202 526 HB2 ARG 66 HB2 ARG 66 0.315 3.895 6.279 527 HB3 ARG 66 HB3 ARG 66 0.189 2.269 6.934 528 HG2 ARG 66 HG2 ARG 66 1.316 4.663 8.416 529 HG3 ARG 66 HG3 ARG 66 -0.303 3.995 8.626 530 HD2 ARG 66 HD2 ARG 66 0.725 1.833 9.356 531 HD3 ARG 66 HD3 ARG 66 2.319 2.577 9.223 532 HE ARG 66 HE ARG 66 1.317 4.238 10.940 533 HH11 ARG 66 HH11 ARG 66 0.709 0.770 10.879 534 HH12 ARG 66 HH12 ARG 66 0.454 0.666 12.592 535 HH21 ARG 66 HH21 ARG 66 1.016 4.082 13.171 536 HH22 ARG 66 HH22 ARG 66 0.632 2.554 13.892 537 H ALA 67 H ALA 67 1.732 3.595 4.068 538 HA ALA 67 HA ALA 67 1.039 1.091 2.871 539 HB1 ALA 67 HB1 ALA 67 1.597 3.804 1.612 540 HB2 ALA 67 HB2 ALA 67 0.028 3.207 2.151 541 HB3 ALA 67 HB3 ALA 67 0.843 2.418 0.805 542 H ALA 68 H ALA 68 3.876 3.262 2.712 543 HA ALA 68 HA ALA 68 5.365 1.874 0.754 544 HB1 ALA 68 HB1 ALA 68 6.398 3.671 2.985 545 HB2 ALA 68 HB2 ALA 68 5.842 4.208 1.401 546 HB3 ALA 68 HB3 ALA 68 7.284 3.207 1.521 547 H LYS 69 H LYS 69 5.372 1.691 4.275 548 HA LYS 69 HA LYS 69 7.595 -0.030 4.605 549 HB2 LYS 69 HB2 LYS 69 6.423 1.551 6.338 550 HB3 LYS 69 HB3 LYS 69 5.295 0.233 6.596 551 HG2 LYS 69 HG2 LYS 69 8.290 -0.056 6.963 552 HG3 LYS 69 HG3 LYS 69 7.219 0.449 8.265 553 HD2 LYS 69 HD2 LYS 69 6.031 -1.710 8.148 554 HD3 LYS 69 HD3 LYS 69 7.029 -2.205 6.778 555 HE2 LYS 69 HE2 LYS 69 9.034 -2.113 8.222 556 HE3 LYS 69 HE3 LYS 69 8.028 -1.642 9.593 557 HZ1 LYS 69 HZ1 LYS 69 7.771 -4.189 8.090 558 HZ2 LYS 69 HZ2 LYS 69 6.893 -3.744 9.465 559 HZ3 LYS 69 HZ3 LYS 69 8.560 -4.010 9.573 560 H SER 70 H SER 70 4.061 -0.577 4.663 561 HA SER 70 HA SER 70 4.179 -3.382 5.049 562 HB2 SER 70 HB2 SER 70 2.212 -1.752 5.535 563 HB3 SER 70 HB3 SER 70 1.797 -1.932 3.828 564 HG SER 70 HG SER 70 1.873 -4.287 4.327 565 H LEU 71 H LEU 71 4.334 -1.363 2.216 566 HA LEU 71 HA LEU 71 3.498 -3.068 0.150 567 HB2 LEU 71 HB2 LEU 71 4.264 -0.479 0.255 568 HB3 LEU 71 HB3 LEU 71 5.761 -1.134 -0.360 569 HG LEU 71 HG LEU 71 3.061 -1.487 -1.726 570 HD11 LEU 71 HD11 LEU 71 3.635 0.871 -1.643 571 HD12 LEU 71 HD12 LEU 71 3.757 0.257 -3.289 572 HD13 LEU 71 HD13 LEU 71 5.220 0.537 -2.340 573 HD21 LEU 71 HD21 LEU 71 5.860 -1.983 -2.790 574 HD22 LEU 71 HD22 LEU 71 4.363 -2.101 -3.722 575 HD23 LEU 71 HD23 LEU 71 4.661 -3.214 -2.388 576 H LYS 72 H LYS 72 6.803 -2.378 1.308 577 HA LYS 72 HA LYS 72 8.086 -4.302 -0.350 578 HB2 LYS 72 HB2 LYS 72 10.117 -3.798 1.013 579 HB3 LYS 72 HB3 LYS 72 9.314 -2.358 0.394 580 HG2 LYS 72 HG2 LYS 72 8.308 -1.939 2.601 581 HG3 LYS 72 HG3 LYS 72 9.055 -3.403 3.241 582 HD2 LYS 72 HD2 LYS 72 10.556 -0.967 2.194 583 HD3 LYS 72 HD3 LYS 72 10.295 -1.358 3.895 584 HE2 LYS 72 HE2 LYS 72 11.875 -3.037 1.915 585 HE3 LYS 72 HE3 LYS 72 12.553 -2.011 3.176 586 HZ1 LYS 72 HZ1 LYS 72 10.824 -4.376 3.659 587 HZ2 LYS 72 HZ2 LYS 72 11.543 -3.409 4.838 588 HZ3 LYS 72 HZ3 LYS 72 12.508 -4.340 3.813 589 H GLU 73 H GLU 73 6.750 -4.436 2.882 590 HA GLU 73 HA GLU 73 7.962 -6.904 3.689 591 HB2 GLU 73 HB2 GLU 73 5.477 -5.512 4.765 592 HB3 GLU 73 HB3 GLU 73 6.305 -6.853 5.550 593 HG2 GLU 73 HG2 GLU 73 7.464 -4.107 5.034 594 HG3 GLU 73 HG3 GLU 73 6.881 -4.697 6.579 595 H ALA 74 H ALA 74 5.057 -6.072 1.902 596 HA ALA 74 HA ALA 74 3.896 -8.688 1.863 597 HB1 ALA 74 HB1 ALA 74 2.574 -6.679 1.351 598 HB2 ALA 74 HB2 ALA 74 2.531 -7.807 -0.005 599 HB3 ALA 74 HB3 ALA 74 3.557 -6.370 -0.081 600 H ILE 75 H ILE 75 6.246 -6.963 -0.131 601 HA ILE 75 HA ILE 75 6.301 -8.700 -2.361 602 HB ILE 75 HB ILE 75 8.357 -6.690 -1.398 603 HG12 ILE 75 HG12 ILE 75 6.240 -6.420 -3.575 604 HG13 ILE 75 HG13 ILE 75 5.986 -5.900 -1.911 605 HG21 ILE 75 HG21 ILE 75 9.243 -6.679 -3.720 606 HG22 ILE 75 HG22 ILE 75 8.136 -7.984 -4.149 607 HG23 ILE 75 HG23 ILE 75 9.425 -8.276 -2.982 608 HD11 ILE 75 HD11 ILE 75 6.591 -4.092 -3.395 609 HD12 ILE 75 HD12 ILE 75 8.133 -4.875 -3.725 610 HD13 ILE 75 HD13 ILE 75 7.751 -4.317 -2.095 611 H THR 76 H THR 76 8.120 -8.739 0.648 612 HA THR 76 HA THR 76 10.048 -10.695 -0.062 613 HB THR 76 HB THR 76 10.358 -11.049 2.374 614 HG1 THR 76 HG1 THR 76 7.985 -9.473 2.575 615 HG21 THR 76 HG21 THR 76 9.924 -8.115 1.696 616 HG22 THR 76 HG22 THR 76 11.387 -9.041 1.345 617 HG23 THR 76 HG23 THR 76 10.917 -8.739 3.020 618 H ALA 77 H ALA 77 6.665 -10.935 0.573 619 HA ALA 77 HA ALA 77 6.714 -13.879 0.890 620 HB1 ALA 77 HB1 ALA 77 4.402 -13.632 1.700 621 HB2 ALA 77 HB2 ALA 77 4.463 -11.891 1.396 622 HB3 ALA 77 HB3 ALA 77 5.507 -12.616 2.624 623 H ILE 78 H ILE 78 6.580 -11.777 -1.643 624 HA ILE 78 HA ILE 78 4.462 -13.001 -3.222 625 HB ILE 78 HB ILE 78 6.709 -11.079 -4.024 626 HG12 ILE 78 HG12 ILE 78 3.708 -10.652 -3.713 627 HG13 ILE 78 HG13 ILE 78 4.951 -10.068 -2.618 628 HG21 ILE 78 HG21 ILE 78 4.451 -12.091 -5.801 629 HG22 ILE 78 HG22 ILE 78 6.163 -12.471 -5.991 630 HG23 ILE 78 HG23 ILE 78 5.597 -10.818 -6.229 631 HD11 ILE 78 HD11 ILE 78 5.810 -8.585 -4.378 632 HD12 ILE 78 HD12 ILE 78 4.110 -8.286 -4.011 633 HD13 ILE 78 HD13 ILE 78 4.545 -9.165 -5.473 634 HA PRO 79 HA PRO 79 7.021 -16.547 -4.621 635 HB2 PRO 79 HB2 PRO 79 5.463 -17.276 -6.806 636 HB3 PRO 79 HB3 PRO 79 5.042 -17.699 -5.134 637 HG2 PRO 79 HG2 PRO 79 4.020 -15.418 -6.802 638 HG3 PRO 79 HG3 PRO 79 3.110 -16.549 -5.774 639 HD2 PRO 79 HD2 PRO 79 3.717 -14.080 -4.891 640 HD3 PRO 79 HD3 PRO 79 3.756 -15.473 -3.782 641 H GLU 80 H GLU 80 8.505 -16.934 -6.298 642 HA GLU 80 HA GLU 80 9.634 -14.717 -7.610 643 HB2 GLU 80 HB2 GLU 80 10.117 -17.688 -8.057 644 HB3 GLU 80 HB3 GLU 80 11.094 -16.418 -8.796 645 HG2 GLU 80 HG2 GLU 80 11.791 -15.620 -6.576 646 HG3 GLU 80 HG3 GLU 80 10.772 -16.830 -5.804 647 H GLU 81 H GLU 81 7.206 -16.928 -8.672 648 HA GLU 81 HA GLU 81 7.308 -16.171 -11.476 649 HB2 GLU 81 HB2 GLU 81 5.331 -17.703 -11.673 650 HB3 GLU 81 HB3 GLU 81 6.740 -18.464 -10.955 651 HG2 GLU 81 HG2 GLU 81 5.600 -17.922 -8.664 652 HG3 GLU 81 HG3 GLU 81 4.140 -17.700 -9.621 653 H GLU 82 H GLU 82 6.903 -14.029 -11.643 654 HA GLU 82 HA GLU 82 5.700 -12.181 -12.098 655 HB2 GLU 82 HB2 GLU 82 3.918 -14.029 -12.673 656 HB3 GLU 82 HB3 GLU 82 3.125 -13.524 -11.196 657 HG2 GLU 82 HG2 GLU 82 3.737 -11.647 -13.496 658 HG3 GLU 82 HG3 GLU 82 2.228 -12.541 -13.352 659 H GLY 83 H GLY 83 4.892 -10.251 -10.967 660 HA2 GLY 83 HA2 GLY 83 4.277 -8.997 -9.118 661 HA3 GLY 83 HA3 GLY 83 4.547 -10.377 -8.069 662 H ARG 84 H ARG 84 7.231 -10.845 -9.316 663 HA ARG 84 HA ARG 84 8.713 -9.359 -7.359 664 HB2 ARG 84 HB2 ARG 84 9.772 -11.122 -9.607 665 HB3 ARG 84 HB3 ARG 84 10.637 -10.664 -8.140 666 HG2 ARG 84 HG2 ARG 84 8.063 -12.254 -8.101 667 HG3 ARG 84 HG3 ARG 84 9.651 -13.007 -8.196 668 HD2 ARG 84 HD2 ARG 84 8.804 -11.154 -5.939 669 HD3 ARG 84 HD3 ARG 84 8.663 -12.915 -5.880 670 HE ARG 84 HE ARG 84 11.250 -11.534 -6.268 671 HH11 ARG 84 HH11 ARG 84 9.362 -14.013 -4.630 672 HH12 ARG 84 HH12 ARG 84 10.727 -14.641 -3.765 673 HH21 ARG 84 HH21 ARG 84 13.017 -12.355 -5.120 674 HH22 ARG 84 HH22 ARG 84 12.796 -13.700 -4.046 675 H LYS 85 H LYS 85 8.375 -9.204 -10.876 676 HA LYS 85 HA LYS 85 10.378 -7.203 -11.339 677 HB2 LYS 85 HB2 LYS 85 7.996 -8.046 -13.046 678 HB3 LYS 85 HB3 LYS 85 9.294 -6.990 -13.599 679 HG2 LYS 85 HG2 LYS 85 10.918 -8.782 -13.413 680 HG3 LYS 85 HG3 LYS 85 9.721 -9.851 -12.670 681 HD2 LYS 85 HD2 LYS 85 8.402 -9.842 -14.761 682 HD3 LYS 85 HD3 LYS 85 9.568 -8.743 -15.505 683 HE2 LYS 85 HE2 LYS 85 9.930 -11.056 -16.250 684 HE3 LYS 85 HE3 LYS 85 11.316 -10.476 -15.326 685 HZ1 LYS 85 HZ1 LYS 85 10.399 -11.656 -13.383 686 HZ2 LYS 85 HZ2 LYS 85 10.778 -12.690 -14.664 687 HZ3 LYS 85 HZ3 LYS 85 9.169 -12.285 -14.359 688 H GLU 86 H GLU 86 6.802 -7.074 -11.375 689 HA GLU 86 HA GLU 86 6.650 -4.257 -11.694 690 HB2 GLU 86 HB2 GLU 86 4.775 -5.404 -12.551 691 HB3 GLU 86 HB3 GLU 86 4.603 -6.415 -11.123 692 HG2 GLU 86 HG2 GLU 86 3.555 -4.743 -9.881 693 HG3 GLU 86 HG3 GLU 86 4.145 -3.439 -10.907 694 H ALA 87 H ALA 87 5.802 -6.305 -8.837 695 HA ALA 87 HA ALA 87 4.890 -4.075 -7.347 696 HB1 ALA 87 HB1 ALA 87 5.529 -6.843 -6.299 697 HB2 ALA 87 HB2 ALA 87 3.984 -6.323 -6.973 698 HB3 ALA 87 HB3 ALA 87 4.574 -5.600 -5.478 699 H LYS 88 H LYS 88 8.018 -5.758 -7.392 700 HA LYS 88 HA LYS 88 9.022 -4.617 -5.023 701 HB2 LYS 88 HB2 LYS 88 10.062 -6.597 -6.046 702 HB3 LYS 88 HB3 LYS 88 10.639 -5.613 -7.392 703 HG2 LYS 88 HG2 LYS 88 12.124 -4.374 -5.983 704 HG3 LYS 88 HG3 LYS 88 11.362 -4.987 -4.517 705 HD2 LYS 88 HD2 LYS 88 12.212 -7.252 -5.063 706 HD3 LYS 88 HD3 LYS 88 13.055 -6.581 -6.464 707 HE2 LYS 88 HE2 LYS 88 14.586 -6.838 -4.559 708 HE3 LYS 88 HE3 LYS 88 14.370 -5.130 -4.945 709 HZ1 LYS 88 HZ1 LYS 88 12.785 -4.968 -3.128 710 HZ2 LYS 88 HZ2 LYS 88 14.286 -5.504 -2.573 711 HZ3 LYS 88 HZ3 LYS 88 13.014 -6.600 -2.756 712 H GLU 89 H GLU 89 9.075 -3.552 -8.388 713 HA GLU 89 HA GLU 89 10.712 -1.251 -8.101 714 HB2 GLU 89 HB2 GLU 89 9.888 -2.545 -10.258 715 HB3 GLU 89 HB3 GLU 89 8.511 -1.464 -10.186 716 HG2 GLU 89 HG2 GLU 89 11.420 -0.662 -10.502 717 HG3 GLU 89 HG3 GLU 89 10.209 -0.669 -11.773 718 H MET 90 H MET 90 7.283 -1.888 -7.618 719 HA MET 90 HA MET 90 6.418 0.814 -7.335 720 HB2 MET 90 HB2 MET 90 5.130 -1.757 -6.377 721 HB3 MET 90 HB3 MET 90 4.339 -0.189 -6.381 722 HG2 MET 90 HG2 MET 90 4.823 -0.143 -8.909 723 HG3 MET 90 HG3 MET 90 5.177 -1.861 -8.751 724 HE1 MET 90 HE1 MET 90 3.307 -3.643 -7.861 725 HE2 MET 90 HE2 MET 90 1.634 -3.197 -7.546 726 HE3 MET 90 HE3 MET 90 2.909 -2.638 -6.465 727 H ALA 91 H ALA 91 7.672 -1.595 -5.033 728 HA ALA 91 HA ALA 91 7.376 -0.066 -2.656 729 HB1 ALA 91 HB1 ALA 91 7.999 -2.401 -2.504 730 HB2 ALA 91 HB2 ALA 91 9.258 -1.425 -1.750 731 HB3 ALA 91 HB3 ALA 91 9.508 -2.113 -3.362 732 H LYS 92 H LYS 92 9.845 -0.122 -5.210 733 HA LYS 92 HA LYS 92 11.737 1.605 -3.999 734 HB2 LYS 92 HB2 LYS 92 11.209 1.157 -6.967 735 HB3 LYS 92 HB3 LYS 92 12.634 1.943 -6.295 736 HG2 LYS 92 HG2 LYS 92 13.224 -0.190 -5.130 737 HG3 LYS 92 HG3 LYS 92 11.832 -0.957 -5.903 738 HD2 LYS 92 HD2 LYS 92 13.871 -1.488 -7.161 739 HD3 LYS 92 HD3 LYS 92 12.817 -0.463 -8.137 740 HE2 LYS 92 HE2 LYS 92 14.197 1.515 -7.492 741 HE3 LYS 92 HE3 LYS 92 15.271 0.446 -6.589 742 HZ1 LYS 92 HZ1 LYS 92 15.808 -0.684 -8.653 743 HZ2 LYS 92 HZ2 LYS 92 16.151 0.965 -8.766 744 HZ3 LYS 92 HZ3 LYS 92 14.776 0.337 -9.517 745 H LYS 93 H LYS 93 8.901 2.210 -6.061 746 HA LYS 93 HA LYS 93 9.134 5.031 -6.330 747 HB2 LYS 93 HB2 LYS 93 6.765 3.130 -6.388 748 HB3 LYS 93 HB3 LYS 93 6.535 4.860 -6.587 749 HG2 LYS 93 HG2 LYS 93 8.332 3.204 -8.379 750 HG3 LYS 93 HG3 LYS 93 6.629 3.532 -8.725 751 HD2 LYS 93 HD2 LYS 93 7.078 5.955 -8.764 752 HD3 LYS 93 HD3 LYS 93 8.761 5.665 -8.349 753 HE2 LYS 93 HE2 LYS 93 7.395 4.771 -10.907 754 HE3 LYS 93 HE3 LYS 93 8.508 6.134 -10.746 755 HZ1 LYS 93 HZ1 LYS 93 9.571 4.124 -11.606 756 HZ2 LYS 93 HZ2 LYS 93 9.208 3.310 -10.175 757 HZ3 LYS 93 HZ3 LYS 93 10.257 4.633 -10.151 758 H ALA 94 H ALA 94 7.576 2.970 -3.923 759 HA ALA 94 HA ALA 94 6.395 4.972 -2.317 760 HB1 ALA 94 HB1 ALA 94 6.088 3.171 -0.686 761 HB2 ALA 94 HB2 ALA 94 7.228 2.149 -1.565 762 HB3 ALA 94 HB3 ALA 94 5.696 2.611 -2.308 763 H GLU 95 H GLU 95 9.618 3.484 -2.324 764 HA GLU 95 HA GLU 95 10.655 4.629 0.049 765 HB2 GLU 95 HB2 GLU 95 12.083 3.871 -2.540 766 HB3 GLU 95 HB3 GLU 95 12.911 4.329 -1.061 767 HG2 GLU 95 HG2 GLU 95 11.168 1.891 -1.450 768 HG3 GLU 95 HG3 GLU 95 12.926 1.912 -1.393 769 H GLU 96 H GLU 96 10.707 5.674 -3.361 770 HA GLU 96 HA GLU 96 12.248 7.991 -3.130 771 HB2 GLU 96 HB2 GLU 96 10.032 7.348 -5.119 772 HB3 GLU 96 HB3 GLU 96 11.131 8.711 -5.289 773 HG2 GLU 96 HG2 GLU 96 11.907 5.790 -5.282 774 HG3 GLU 96 HG3 GLU 96 11.801 6.824 -6.700 775 H TRP 97 H TRP 97 8.723 7.595 -2.964 776 HA TRP 97 HA TRP 97 8.054 10.337 -2.714 777 HB2 TRP 97 HB2 TRP 97 6.474 7.872 -1.854 778 HB3 TRP 97 HB3 TRP 97 5.816 9.499 -2.006 779 HD1 TRP 97 HD1 TRP 97 7.610 9.855 -4.897 780 HE1 TRP 97 HE1 TRP 97 6.501 8.882 -6.990 781 HE3 TRP 97 HE3 TRP 97 4.258 6.726 -2.648 782 HZ2 TRP 97 HZ2 TRP 97 4.463 7.048 -7.615 783 HZ3 TRP 97 HZ3 TRP 97 2.756 5.400 -4.073 784 HH2 TRP 97 HH2 TRP 97 2.863 5.564 -6.505 785 H LEU 98 H LEU 98 8.484 7.738 -0.325 786 HA LEU 98 HA LEU 98 7.694 9.142 1.974 787 HB2 LEU 98 HB2 LEU 98 7.915 6.663 1.825 788 HB3 LEU 98 HB3 LEU 98 9.661 6.833 1.755 789 HG LEU 98 HG LEU 98 9.705 7.725 4.054 790 HD11 LEU 98 HD11 LEU 98 7.575 8.911 4.120 791 HD12 LEU 98 HD12 LEU 98 7.679 7.773 5.462 792 HD13 LEU 98 HD13 LEU 98 6.689 7.385 4.053 793 HD21 LEU 98 HD21 LEU 98 8.140 5.130 3.866 794 HD22 LEU 98 HD22 LEU 98 9.081 5.678 5.257 795 HD23 LEU 98 HD23 LEU 98 9.894 5.301 3.738 796 H GLN 99 H GLN 99 10.881 8.771 0.429 797 HA GLN 99 HA GLN 99 12.337 10.238 2.439 798 HB2 GLN 99 HB2 GLN 99 13.248 9.581 -0.396 799 HB3 GLN 99 HB3 GLN 99 14.271 10.074 0.947 800 HG2 GLN 99 HG2 GLN 99 12.814 7.451 0.606 801 HG3 GLN 99 HG3 GLN 99 14.550 7.714 0.619 802 HE21 GLN 99 HE21 GLN 99 12.912 5.899 2.236 803 HE22 GLN 99 HE22 GLN 99 13.221 6.311 3.885 804 H ALA 100 H ALA 100 10.720 11.019 -0.594 805 HA ALA 100 HA ALA 100 11.812 13.607 -1.049 806 HB1 ALA 100 HB1 ALA 100 10.581 12.375 -2.796 807 HB2 ALA 100 HB2 ALA 100 9.865 13.965 -2.531 808 HB3 ALA 100 HB3 ALA 100 9.087 12.521 -1.871 809 H GLU 101 H GLU 101 9.191 12.415 0.943 810 HA GLU 101 HA GLU 101 8.109 14.962 1.699 811 HB2 GLU 101 HB2 GLU 101 7.781 12.195 2.900 812 HB3 GLU 101 HB3 GLU 101 6.843 13.605 3.363 813 HG2 GLU 101 HG2 GLU 101 6.854 12.333 0.620 814 HG3 GLU 101 HG3 GLU 101 5.609 12.121 1.844 815 H GLN 102 H GLN 102 10.803 13.081 2.786 816 HA GLN 102 HA GLN 102 10.999 14.201 5.457 817 HB2 GLN 102 HB2 GLN 102 13.154 12.736 3.863 818 HB3 GLN 102 HB3 GLN 102 13.141 13.006 5.603 819 HG2 GLN 102 HG2 GLN 102 11.211 11.269 4.052 820 HG3 GLN 102 HG3 GLN 102 12.543 10.688 5.048 821 HE21 GLN 102 HE21 GLN 102 9.706 10.080 5.216 822 HE22 GLN 102 HE22 GLN 102 9.201 10.534 6.806 823 H ASN 103 H ASN 103 12.634 15.709 6.135 824 HA ASN 103 HA ASN 103 12.843 18.021 4.565 825 HB2 ASN 103 HB2 ASN 103 14.240 17.161 7.121 826 HB3 ASN 103 HB3 ASN 103 14.658 18.690 6.350 827 HD21 ASN 103 HD21 ASN 103 13.089 20.344 6.257 828 HD22 ASN 103 HD22 ASN 103 11.709 20.341 7.298 829 H ASN 104 H ASN 104 13.935 18.251 2.756 830 HA ASN 104 HA ASN 104 15.551 18.402 1.212 831 HB2 ASN 104 HB2 ASN 104 16.840 19.557 2.967 832 HB3 ASN 104 HB3 ASN 104 17.419 18.013 3.591 833 HD21 ASN 104 HD21 ASN 104 19.579 18.641 3.339 834 HD22 ASN 104 HD22 ASN 104 20.332 18.750 1.787 Start of MODEL 3 1 H1 ALA 1 H1 ALA 1 -13.954 -17.194 1.054 2 H2 ALA 1 H2 ALA 1 -14.114 -17.690 2.664 3 H3 ALA 1 H3 ALA 1 -13.114 -16.385 2.277 4 HA ALA 1 HA ALA 1 -16.037 -16.443 1.864 5 HB1 ALA 1 HB1 ALA 1 -16.210 -14.952 3.823 6 HB2 ALA 1 HB2 ALA 1 -14.470 -15.097 4.087 7 HB3 ALA 1 HB3 ALA 1 -15.506 -16.511 4.265 8 H ASP 2 H ASP 2 -13.622 -13.978 2.713 9 HA ASP 2 HA ASP 2 -13.048 -11.971 1.928 10 HB2 ASP 2 HB2 ASP 2 -12.129 -13.289 0.029 11 HB3 ASP 2 HB3 ASP 2 -13.666 -13.138 -0.818 12 H GLU 3 H GLU 3 -14.390 -10.482 2.654 13 HA GLU 3 HA GLU 3 -16.749 -9.628 1.137 14 HB2 GLU 3 HB2 GLU 3 -17.682 -11.296 2.676 15 HB3 GLU 3 HB3 GLU 3 -16.855 -10.557 4.047 16 HG2 GLU 3 HG2 GLU 3 -18.238 -8.490 3.704 17 HG3 GLU 3 HG3 GLU 3 -19.117 -9.329 2.424 18 H ASN 4 H ASN 4 -14.508 -9.151 3.826 19 HA ASN 4 HA ASN 4 -15.291 -6.570 4.634 20 HB2 ASN 4 HB2 ASN 4 -13.891 -8.171 5.989 21 HB3 ASN 4 HB3 ASN 4 -12.527 -7.828 4.927 22 HD21 ASN 4 HD21 ASN 4 -11.318 -7.038 6.692 23 HD22 ASN 4 HD22 ASN 4 -11.631 -5.484 7.386 24 H ILE 5 H ILE 5 -12.998 -7.689 2.205 25 HA ILE 5 HA ILE 5 -11.813 -5.289 1.388 26 HB ILE 5 HB ILE 5 -12.393 -7.917 -0.025 27 HG12 ILE 5 HG12 ILE 5 -9.835 -6.519 0.869 28 HG13 ILE 5 HG13 ILE 5 -10.597 -7.910 1.624 29 HG21 ILE 5 HG21 ILE 5 -11.050 -5.546 -1.384 30 HG22 ILE 5 HG22 ILE 5 -12.590 -6.273 -1.838 31 HG23 ILE 5 HG23 ILE 5 -11.097 -7.193 -2.020 32 HD11 ILE 5 HD11 ILE 5 -8.646 -8.575 0.405 33 HD12 ILE 5 HD12 ILE 5 -9.259 -7.839 -1.073 34 HD13 ILE 5 HD13 ILE 5 -10.075 -9.244 -0.381 35 H ALA 6 H ALA 6 -14.872 -6.810 0.386 36 HA ALA 6 HA ALA 6 -15.576 -4.979 -1.662 37 HB1 ALA 6 HB1 ALA 6 -17.829 -5.979 -1.499 38 HB2 ALA 6 HB2 ALA 6 -17.373 -6.775 0.010 39 HB3 ALA 6 HB3 ALA 6 -16.575 -7.219 -1.500 40 H LYS 7 H LYS 7 -15.913 -4.862 1.821 41 HA LYS 7 HA LYS 7 -17.806 -2.731 1.987 42 HB2 LYS 7 HB2 LYS 7 -15.705 -3.613 4.010 43 HB3 LYS 7 HB3 LYS 7 -17.055 -2.531 4.350 44 HG2 LYS 7 HG2 LYS 7 -18.645 -4.356 3.808 45 HG3 LYS 7 HG3 LYS 7 -17.282 -5.440 3.499 46 HD2 LYS 7 HD2 LYS 7 -16.566 -5.214 5.855 47 HD3 LYS 7 HD3 LYS 7 -17.903 -4.104 6.164 48 HE2 LYS 7 HE2 LYS 7 -18.164 -7.026 5.368 49 HE3 LYS 7 HE3 LYS 7 -18.425 -6.368 6.983 50 HZ1 LYS 7 HZ1 LYS 7 -20.040 -5.791 4.555 51 HZ2 LYS 7 HZ2 LYS 7 -20.253 -5.026 6.047 52 HZ3 LYS 7 HZ3 LYS 7 -20.522 -6.690 5.906 53 H PHE 8 H PHE 8 -14.263 -2.885 1.839 54 HA PHE 8 HA PHE 8 -13.858 -0.031 2.085 55 HB2 PHE 8 HB2 PHE 8 -11.901 -2.115 1.047 56 HB3 PHE 8 HB3 PHE 8 -11.504 -0.498 1.618 57 HD1 PHE 8 HD1 PHE 8 -12.710 -0.141 4.154 58 HD2 PHE 8 HD2 PHE 8 -11.136 -3.768 2.503 59 HE1 PHE 8 HE1 PHE 8 -12.367 -1.036 6.417 60 HE2 PHE 8 HE2 PHE 8 -10.811 -4.652 4.770 61 HZ PHE 8 HZ PHE 8 -11.430 -3.289 6.724 62 H GLU 9 H GLU 9 -14.342 -2.300 -0.541 63 HA GLU 9 HA GLU 9 -13.690 -0.590 -2.724 64 HB2 GLU 9 HB2 GLU 9 -15.439 -3.069 -2.500 65 HB3 GLU 9 HB3 GLU 9 -15.211 -2.226 -4.026 66 HG2 GLU 9 HG2 GLU 9 -12.932 -3.380 -2.390 67 HG3 GLU 9 HG3 GLU 9 -13.748 -4.254 -3.686 68 H LYS 10 H LYS 10 -16.638 -1.217 -0.871 69 HA LYS 10 HA LYS 10 -18.364 0.498 -2.376 70 HB2 LYS 10 HB2 LYS 10 -19.214 -1.364 -0.931 71 HB3 LYS 10 HB3 LYS 10 -18.638 -0.507 0.493 72 HG2 LYS 10 HG2 LYS 10 -21.068 -0.244 0.216 73 HG3 LYS 10 HG3 LYS 10 -20.245 1.314 0.082 74 HD2 LYS 10 HD2 LYS 10 -20.384 1.131 -2.417 75 HD3 LYS 10 HD3 LYS 10 -21.270 -0.384 -2.238 76 HE2 LYS 10 HE2 LYS 10 -23.069 0.849 -1.039 77 HE3 LYS 10 HE3 LYS 10 -22.177 2.353 -1.292 78 HZ1 LYS 10 HZ1 LYS 10 -23.187 0.584 -3.448 79 HZ2 LYS 10 HZ2 LYS 10 -22.405 2.067 -3.662 80 HZ3 LYS 10 HZ3 LYS 10 -23.930 2.011 -2.935 81 H ALA 11 H ALA 11 -16.237 0.879 0.424 82 HA ALA 11 HA ALA 11 -16.901 3.588 1.058 83 HB1 ALA 11 HB1 ALA 11 -14.825 3.568 2.387 84 HB2 ALA 11 HB2 ALA 11 -14.339 2.039 1.643 85 HB3 ALA 11 HB3 ALA 11 -15.771 2.107 2.675 86 H TYR 12 H TYR 12 -14.734 2.062 -1.265 87 HA TYR 12 HA TYR 12 -13.582 4.627 -2.098 88 HB2 TYR 12 HB2 TYR 12 -12.464 2.064 -1.975 89 HB3 TYR 12 HB3 TYR 12 -12.813 2.223 -3.690 90 HD1 TYR 12 HD1 TYR 12 -12.224 5.061 -4.269 91 HD2 TYR 12 HD2 TYR 12 -10.125 2.371 -1.711 92 HE1 TYR 12 HE1 TYR 12 -10.190 6.375 -4.569 93 HE2 TYR 12 HE2 TYR 12 -8.096 3.699 -2.008 94 HH TYR 12 HH TYR 12 -7.166 5.280 -3.789 95 H LYS 13 H LYS 13 -13.282 4.180 -4.869 96 HA LYS 13 HA LYS 13 -14.208 5.231 -6.607 97 HB2 LYS 13 HB2 LYS 13 -16.442 3.259 -6.005 98 HB3 LYS 13 HB3 LYS 13 -16.447 4.282 -7.434 99 HG2 LYS 13 HG2 LYS 13 -15.636 2.182 -8.166 100 HG3 LYS 13 HG3 LYS 13 -14.214 3.219 -8.058 101 HD2 LYS 13 HD2 LYS 13 -13.703 2.178 -5.817 102 HD3 LYS 13 HD3 LYS 13 -15.064 1.080 -6.061 103 HE2 LYS 13 HE2 LYS 13 -13.973 0.151 -8.056 104 HE3 LYS 13 HE3 LYS 13 -12.632 1.284 -7.864 105 HZ1 LYS 13 HZ1 LYS 13 -12.056 -0.862 -6.990 106 HZ2 LYS 13 HZ2 LYS 13 -13.399 -0.866 -5.970 107 HZ3 LYS 13 HZ3 LYS 13 -12.152 0.244 -5.717 108 H LYS 14 H LYS 14 -16.620 6.273 -7.319 109 HA LYS 14 HA LYS 14 -18.090 7.953 -7.024 110 HB2 LYS 14 HB2 LYS 14 -19.014 6.308 -5.344 111 HB3 LYS 14 HB3 LYS 14 -18.130 7.164 -4.088 112 HG2 LYS 14 HG2 LYS 14 -19.470 9.187 -4.512 113 HG3 LYS 14 HG3 LYS 14 -20.327 8.354 -5.812 114 HD2 LYS 14 HD2 LYS 14 -21.103 6.657 -4.083 115 HD3 LYS 14 HD3 LYS 14 -20.403 7.706 -2.841 116 HE2 LYS 14 HE2 LYS 14 -22.616 8.461 -4.776 117 HE3 LYS 14 HE3 LYS 14 -22.819 8.091 -3.064 118 HZ1 LYS 14 HZ1 LYS 14 -22.811 10.439 -3.376 119 HZ2 LYS 14 HZ2 LYS 14 -21.342 10.396 -4.211 120 HZ3 LYS 14 HZ3 LYS 14 -21.395 10.010 -2.565 121 H ALA 15 H ALA 15 -15.027 8.237 -5.951 122 HA ALA 15 HA ALA 15 -15.157 10.519 -4.185 123 HB1 ALA 15 HB1 ALA 15 -13.389 8.826 -3.941 124 HB2 ALA 15 HB2 ALA 15 -12.690 10.409 -4.285 125 HB3 ALA 15 HB3 ALA 15 -12.795 9.195 -5.563 126 H GLU 16 H GLU 16 -14.691 9.887 -7.582 127 HA GLU 16 HA GLU 16 -13.498 12.410 -8.294 128 HB2 GLU 16 HB2 GLU 16 -14.846 10.508 -10.261 129 HB3 GLU 16 HB3 GLU 16 -13.551 11.652 -10.572 130 HG2 GLU 16 HG2 GLU 16 -12.459 9.583 -10.646 131 HG3 GLU 16 HG3 GLU 16 -12.118 10.145 -9.010 132 H GLU 17 H GLU 17 -16.667 11.263 -7.780 133 HA GLU 17 HA GLU 17 -18.296 12.882 -9.378 134 HB2 GLU 17 HB2 GLU 17 -19.089 10.941 -8.063 135 HB3 GLU 17 HB3 GLU 17 -18.753 11.795 -6.563 136 HG2 GLU 17 HG2 GLU 17 -20.493 13.527 -7.318 137 HG3 GLU 17 HG3 GLU 17 -20.933 12.390 -8.594 138 H LEU 18 H LEU 18 -16.835 13.486 -6.184 139 HA LEU 18 HA LEU 18 -17.765 16.316 -6.234 140 HB2 LEU 18 HB2 LEU 18 -18.828 14.798 -4.540 141 HB3 LEU 18 HB3 LEU 18 -17.260 14.543 -3.816 142 HG LEU 18 HG LEU 18 -18.325 17.374 -3.967 143 HD11 LEU 18 HD11 LEU 18 -19.236 15.375 -1.886 144 HD12 LEU 18 HD12 LEU 18 -20.242 16.118 -3.132 145 HD13 LEU 18 HD13 LEU 18 -19.544 17.117 -1.858 146 HD21 LEU 18 HD21 LEU 18 -16.040 16.985 -3.083 147 HD22 LEU 18 HD22 LEU 18 -16.710 15.962 -1.813 148 HD23 LEU 18 HD23 LEU 18 -17.104 17.684 -1.863 149 H ASN 19 H ASN 19 -15.056 14.394 -6.564 150 HA ASN 19 HA ASN 19 -12.827 14.531 -6.293 151 HB2 ASN 19 HB2 ASN 19 -12.854 16.733 -7.365 152 HB3 ASN 19 HB3 ASN 19 -13.355 17.514 -5.871 153 HD21 ASN 19 HD21 ASN 19 -11.645 18.893 -5.689 154 HD22 ASN 19 HD22 ASN 19 -10.013 18.393 -5.423 155 H GLN 20 H GLN 20 -12.989 13.165 -4.530 156 HA GLN 20 HA GLN 20 -12.725 14.342 -1.806 157 HB2 GLN 20 HB2 GLN 20 -14.200 11.814 -2.665 158 HB3 GLN 20 HB3 GLN 20 -13.909 12.259 -0.985 159 HG2 GLN 20 HG2 GLN 20 -15.305 14.223 -1.202 160 HG3 GLN 20 HG3 GLN 20 -15.498 13.949 -2.935 161 HE21 GLN 20 HE21 GLN 20 -17.521 14.121 -0.816 162 HE22 GLN 20 HE22 GLN 20 -18.412 12.647 -0.899 163 H GLY 21 H GLY 21 -10.819 13.161 -4.025 164 HA2 GLY 21 HA2 GLY 21 -9.704 10.724 -3.104 165 HA3 GLY 21 HA3 GLY 21 -8.914 11.890 -4.152 166 H GLU 22 H GLU 22 -9.578 11.047 -0.837 167 HA GLU 22 HA GLU 22 -7.101 11.863 0.274 168 HB2 GLU 22 HB2 GLU 22 -8.309 14.118 -0.041 169 HB3 GLU 22 HB3 GLU 22 -9.538 13.550 1.070 170 HG2 GLU 22 HG2 GLU 22 -6.614 13.964 1.762 171 HG3 GLU 22 HG3 GLU 22 -7.893 15.117 2.104 172 H LEU 23 H LEU 23 -10.567 11.681 1.074 173 HA LEU 23 HA LEU 23 -10.452 10.618 3.632 174 HB2 LEU 23 HB2 LEU 23 -12.603 10.173 1.524 175 HB3 LEU 23 HB3 LEU 23 -12.822 9.896 3.246 176 HG LEU 23 HG LEU 23 -12.324 12.598 1.925 177 HD11 LEU 23 HD11 LEU 23 -14.848 11.481 3.187 178 HD12 LEU 23 HD12 LEU 23 -14.568 11.765 1.467 179 HD13 LEU 23 HD13 LEU 23 -14.632 13.127 2.582 180 HD21 LEU 23 HD21 LEU 23 -12.742 13.566 4.159 181 HD22 LEU 23 HD22 LEU 23 -11.297 12.564 4.132 182 HD23 LEU 23 HD23 LEU 23 -12.784 11.945 4.859 183 H MET 24 H MET 24 -10.582 8.949 0.556 184 HA MET 24 HA MET 24 -10.457 6.264 1.656 185 HB2 MET 24 HB2 MET 24 -10.469 7.414 -1.157 186 HB3 MET 24 HB3 MET 24 -10.257 5.697 -0.846 187 HG2 MET 24 HG2 MET 24 -12.569 6.183 -1.418 188 HG3 MET 24 HG3 MET 24 -12.450 5.603 0.240 189 HE1 MET 24 HE1 MET 24 -13.257 10.003 -0.905 190 HE2 MET 24 HE2 MET 24 -13.099 8.699 -2.081 191 HE3 MET 24 HE3 MET 24 -11.685 9.245 -1.172 192 H GLY 25 H GLY 25 -8.522 5.551 -0.691 193 HA2 GLY 25 HA2 GLY 25 -6.263 5.159 -0.936 194 HA3 GLY 25 HA3 GLY 25 -5.930 6.331 0.336 195 H ARG 26 H ARG 26 -6.760 5.651 2.527 196 HA ARG 26 HA ARG 26 -5.623 3.345 3.540 197 HB2 ARG 26 HB2 ARG 26 -7.028 3.749 5.571 198 HB3 ARG 26 HB3 ARG 26 -6.191 5.186 4.997 199 HG2 ARG 26 HG2 ARG 26 -8.263 6.049 4.012 200 HG3 ARG 26 HG3 ARG 26 -9.124 4.579 4.475 201 HD2 ARG 26 HD2 ARG 26 -8.839 5.093 6.830 202 HD3 ARG 26 HD3 ARG 26 -7.816 6.482 6.449 203 HE ARG 26 HE ARG 26 -10.307 6.828 5.197 204 HH11 ARG 26 HH11 ARG 26 -8.988 6.782 8.461 205 HH12 ARG 26 HH12 ARG 26 -10.191 7.858 9.087 206 HH21 ARG 26 HH21 ARG 26 -11.850 8.271 6.035 207 HH22 ARG 26 HH22 ARG 26 -11.808 8.699 7.715 208 H ALA 27 H ALA 27 -8.775 3.726 2.049 209 HA ALA 27 HA ALA 27 -10.038 1.352 2.839 210 HB1 ALA 27 HB1 ALA 27 -10.267 2.824 0.190 211 HB2 ALA 27 HB2 ALA 27 -11.211 3.157 1.641 212 HB3 ALA 27 HB3 ALA 27 -11.404 1.620 0.796 213 H LEU 28 H LEU 28 -7.928 1.987 -0.034 214 HA LEU 28 HA LEU 28 -7.841 -0.721 -0.894 215 HB2 LEU 28 HB2 LEU 28 -6.012 1.603 -1.529 216 HB3 LEU 28 HB3 LEU 28 -5.777 0.006 -2.224 217 HG LEU 28 HG LEU 28 -8.185 1.784 -2.617 218 HD11 LEU 28 HD11 LEU 28 -6.035 1.017 -4.590 219 HD12 LEU 28 HD12 LEU 28 -6.238 2.592 -3.817 220 HD13 LEU 28 HD13 LEU 28 -7.468 1.997 -4.925 221 HD21 LEU 28 HD21 LEU 28 -8.880 -0.559 -2.617 222 HD22 LEU 28 HD22 LEU 28 -7.677 -0.928 -3.855 223 HD23 LEU 28 HD23 LEU 28 -9.023 0.154 -4.220 224 H TYR 29 H TYR 29 -5.779 1.204 1.266 225 HA TYR 29 HA TYR 29 -3.640 -0.558 1.650 226 HB2 TYR 29 HB2 TYR 29 -3.521 1.699 2.562 227 HB3 TYR 29 HB3 TYR 29 -4.928 1.423 3.585 228 HD1 TYR 29 HD2 TYR 29 -1.352 0.424 3.093 229 HD2 TYR 29 HD1 TYR 29 -4.649 0.497 5.811 230 HE1 TYR 29 HE2 TYR 29 0.129 -0.291 4.913 231 HE2 TYR 29 HE1 TYR 29 -3.165 -0.222 7.626 232 HH TYR 29 HH TYR 29 -1.004 -1.479 7.841 233 H ASN 30 H ASN 30 -6.806 -0.412 3.264 234 HA ASN 30 HA ASN 30 -6.348 -2.528 5.123 235 HB2 ASN 30 HB2 ASN 30 -8.864 -1.124 4.171 236 HB3 ASN 30 HB3 ASN 30 -8.920 -2.457 5.316 237 HD21 ASN 30 HD21 ASN 30 -6.378 0.048 5.302 238 HD22 ASN 30 HD22 ASN 30 -6.866 0.741 6.804 239 H ILE 31 H ILE 31 -7.766 -2.376 1.870 240 HA ILE 31 HA ILE 31 -8.601 -5.066 1.626 241 HB ILE 31 HB ILE 31 -7.640 -3.085 -0.485 242 HG12 ILE 31 HG12 ILE 31 -10.456 -3.987 0.249 243 HG13 ILE 31 HG13 ILE 31 -9.717 -2.470 0.746 244 HG21 ILE 31 HG21 ILE 31 -8.665 -4.552 -2.199 245 HG22 ILE 31 HG22 ILE 31 -8.978 -5.768 -0.965 246 HG23 ILE 31 HG23 ILE 31 -7.319 -5.344 -1.382 247 HD11 ILE 31 HD11 ILE 31 -10.359 -3.280 -2.083 248 HD12 ILE 31 HD12 ILE 31 -9.596 -1.765 -1.587 249 HD13 ILE 31 HD13 ILE 31 -11.245 -2.132 -1.079 250 H GLY 32 H GLY 32 -5.493 -3.446 1.114 251 HA2 GLY 32 HA2 GLY 32 -3.996 -5.586 0.058 252 HA3 GLY 32 HA3 GLY 32 -3.358 -4.184 0.899 253 H LEU 33 H LEU 33 -4.646 -4.533 3.393 254 HA LEU 33 HA LEU 33 -2.936 -6.324 4.745 255 HB2 LEU 33 HB2 LEU 33 -5.579 -5.164 5.722 256 HB3 LEU 33 HB3 LEU 33 -4.386 -5.951 6.744 257 HG LEU 33 HG LEU 33 -4.002 -3.326 5.258 258 HD11 LEU 33 HD11 LEU 33 -4.012 -2.285 7.477 259 HD12 LEU 33 HD12 LEU 33 -4.373 -3.845 8.221 260 HD13 LEU 33 HD13 LEU 33 -5.540 -3.093 7.127 261 HD21 LEU 33 HD21 LEU 33 -1.877 -4.535 5.403 262 HD22 LEU 33 HD22 LEU 33 -2.086 -4.745 7.145 263 HD23 LEU 33 HD23 LEU 33 -1.868 -3.129 6.463 264 H GLU 34 H GLU 34 -6.309 -6.598 3.687 265 HA GLU 34 HA GLU 34 -6.910 -9.133 4.795 266 HB2 GLU 34 HB2 GLU 34 -8.103 -7.722 2.373 267 HB3 GLU 34 HB3 GLU 34 -8.796 -9.150 3.130 268 HG2 GLU 34 HG2 GLU 34 -8.454 -6.449 4.470 269 HG3 GLU 34 HG3 GLU 34 -9.952 -7.069 3.774 270 H LYS 35 H LYS 35 -5.790 -8.144 1.542 271 HA LYS 35 HA LYS 35 -5.724 -10.646 0.279 272 HB2 LYS 35 HB2 LYS 35 -4.047 -8.140 -0.151 273 HB3 LYS 35 HB3 LYS 35 -3.923 -9.544 -1.203 274 HG2 LYS 35 HG2 LYS 35 -6.462 -7.944 -0.758 275 HG3 LYS 35 HG3 LYS 35 -5.348 -7.712 -2.110 276 HD2 LYS 35 HD2 LYS 35 -5.770 -10.090 -2.809 277 HD3 LYS 35 HD3 LYS 35 -6.953 -10.234 -1.505 278 HE2 LYS 35 HE2 LYS 35 -8.306 -8.444 -2.548 279 HE3 LYS 35 HE3 LYS 35 -7.125 -8.308 -3.850 280 HZ1 LYS 35 HZ1 LYS 35 -8.703 -10.737 -3.221 281 HZ2 LYS 35 HZ2 LYS 35 -7.613 -10.567 -4.497 282 HZ3 LYS 35 HZ3 LYS 35 -9.040 -9.655 -4.474 283 H ASN 36 H ASN 36 -3.206 -8.895 2.041 284 HA ASN 36 HA ASN 36 -1.069 -10.714 1.692 285 HB2 ASN 36 HB2 ASN 36 -1.109 -8.195 2.471 286 HB3 ASN 36 HB3 ASN 36 -1.322 -8.851 4.086 287 HD21 ASN 36 HD21 ASN 36 0.840 -7.272 2.972 288 HD22 ASN 36 HD22 ASN 36 2.289 -8.185 3.188 289 H LYS 37 H LYS 37 -3.549 -10.370 4.145 290 HA LYS 37 HA LYS 37 -2.688 -12.306 6.042 291 HB2 LYS 37 HB2 LYS 37 -4.273 -10.494 6.565 292 HB3 LYS 37 HB3 LYS 37 -5.438 -11.144 5.420 293 HG2 LYS 37 HG2 LYS 37 -5.637 -13.190 6.865 294 HG3 LYS 37 HG3 LYS 37 -4.559 -12.418 8.033 295 HD2 LYS 37 HD2 LYS 37 -6.902 -12.130 8.715 296 HD3 LYS 37 HD3 LYS 37 -6.186 -10.566 8.317 297 HE2 LYS 37 HE2 LYS 37 -7.286 -10.650 6.090 298 HE3 LYS 37 HE3 LYS 37 -8.003 -12.206 6.512 299 HZ1 LYS 37 HZ1 LYS 37 -9.171 -11.100 8.334 300 HZ2 LYS 37 HZ2 LYS 37 -9.579 -10.427 6.836 301 HZ3 LYS 37 HZ3 LYS 37 -8.513 -9.615 7.868 302 H MET 38 H MET 38 -4.661 -12.475 3.114 303 HA MET 38 HA MET 38 -5.406 -15.277 3.476 304 HB2 MET 38 HB2 MET 38 -5.925 -13.297 1.220 305 HB3 MET 38 HB3 MET 38 -6.482 -14.966 1.185 306 HG2 MET 38 HG2 MET 38 -7.821 -14.550 3.222 307 HG3 MET 38 HG3 MET 38 -7.296 -12.866 3.213 308 HE1 MET 38 HE1 MET 38 -9.040 -11.479 -0.020 309 HE2 MET 38 HE2 MET 38 -7.393 -12.100 0.081 310 HE3 MET 38 HE3 MET 38 -8.037 -11.084 1.375 311 H GLY 39 H GLY 39 -2.597 -13.811 2.586 312 HA2 GLY 39 HA2 GLY 39 -0.655 -14.973 1.970 313 HA3 GLY 39 HA3 GLY 39 -1.620 -16.196 1.158 314 H LYS 40 H LYS 40 -3.018 -13.504 0.122 315 HA LYS 40 HA LYS 40 -1.713 -13.457 -2.464 316 HB2 LYS 40 HB2 LYS 40 -4.061 -11.842 -1.363 317 HB3 LYS 40 HB3 LYS 40 -3.579 -11.901 -3.054 318 HG2 LYS 40 HG2 LYS 40 -4.197 -14.234 -3.207 319 HG3 LYS 40 HG3 LYS 40 -4.535 -14.305 -1.474 320 HD2 LYS 40 HD2 LYS 40 -6.479 -12.906 -1.691 321 HD3 LYS 40 HD3 LYS 40 -6.031 -12.406 -3.324 322 HE2 LYS 40 HE2 LYS 40 -6.915 -15.197 -2.510 323 HE3 LYS 40 HE3 LYS 40 -7.895 -14.011 -3.376 324 HZ1 LYS 40 HZ1 LYS 40 -6.185 -14.050 -5.154 325 HZ2 LYS 40 HZ2 LYS 40 -6.988 -15.523 -4.945 326 HZ3 LYS 40 HZ3 LYS 40 -5.417 -15.328 -4.351 327 H ALA 41 H ALA 41 0.270 -12.599 -0.870 328 HA ALA 41 HA ALA 41 0.354 -9.813 -0.271 329 HB1 ALA 41 HB1 ALA 41 2.656 -11.752 -0.661 330 HB2 ALA 41 HB2 ALA 41 1.817 -11.427 0.859 331 HB3 ALA 41 HB3 ALA 41 2.762 -10.155 0.083 332 H ARG 42 H ARG 42 0.819 -11.595 -3.209 333 HA ARG 42 HA ARG 42 2.249 -9.741 -4.787 334 HB2 ARG 42 HB2 ARG 42 1.476 -12.243 -5.280 335 HB3 ARG 42 HB3 ARG 42 0.027 -11.498 -5.920 336 HG2 ARG 42 HG2 ARG 42 2.852 -11.095 -6.916 337 HG3 ARG 42 HG3 ARG 42 1.633 -12.112 -7.663 338 HD2 ARG 42 HD2 ARG 42 1.733 -10.160 -8.998 339 HD3 ARG 42 HD3 ARG 42 0.281 -9.950 -8.018 340 HE ARG 42 HE ARG 42 2.424 -8.716 -6.707 341 HH11 ARG 42 HH11 ARG 42 0.612 -8.260 -9.691 342 HH12 ARG 42 HH12 ARG 42 0.852 -6.541 -9.705 343 HH21 ARG 42 HH21 ARG 42 2.571 -6.461 -6.666 344 HH22 ARG 42 HH22 ARG 42 1.963 -5.536 -7.994 345 H GLU 43 H GLU 43 -1.242 -10.339 -4.432 346 HA GLU 43 HA GLU 43 -2.170 -8.123 -5.935 347 HB2 GLU 43 HB2 GLU 43 -3.597 -9.860 -3.873 348 HB3 GLU 43 HB3 GLU 43 -4.413 -8.718 -4.945 349 HG2 GLU 43 HG2 GLU 43 -3.780 -10.007 -6.899 350 HG3 GLU 43 HG3 GLU 43 -2.744 -11.052 -5.930 351 H ALA 44 H ALA 44 -1.439 -8.622 -2.538 352 HA ALA 44 HA ALA 44 -2.643 -6.377 -1.355 353 HB1 ALA 44 HB1 ALA 44 -1.102 -6.779 0.519 354 HB2 ALA 44 HB2 ALA 44 -0.127 -7.851 -0.492 355 HB3 ALA 44 HB3 ALA 44 -1.782 -8.295 -0.072 356 H ALA 45 H ALA 45 0.572 -6.858 -2.769 357 HA ALA 45 HA ALA 45 1.810 -4.449 -2.089 358 HB1 ALA 45 HB1 ALA 45 3.004 -6.415 -2.970 359 HB2 ALA 45 HB2 ALA 45 3.382 -4.967 -3.907 360 HB3 ALA 45 HB3 ALA 45 2.259 -6.167 -4.553 361 H GLU 46 H GLU 46 -0.278 -5.266 -4.839 362 HA GLU 46 HA GLU 46 -0.138 -2.897 -6.334 363 HB2 GLU 46 HB2 GLU 46 -2.407 -4.880 -5.940 364 HB3 GLU 46 HB3 GLU 46 -2.506 -3.552 -7.087 365 HG2 GLU 46 HG2 GLU 46 -0.399 -5.734 -7.180 366 HG3 GLU 46 HG3 GLU 46 -1.902 -5.754 -8.103 367 H TYR 47 H TYR 47 -2.403 -3.846 -3.762 368 HA TYR 47 HA TYR 47 -3.971 -1.483 -3.811 369 HB2 TYR 47 HB2 TYR 47 -3.690 -3.706 -1.751 370 HB3 TYR 47 HB3 TYR 47 -4.853 -2.397 -1.591 371 HD1 TYR 47 HD1 TYR 47 -6.492 -2.045 -3.571 372 HD2 TYR 47 HD2 TYR 47 -4.345 -5.664 -2.922 373 HE1 TYR 47 HE1 TYR 47 -8.155 -3.254 -4.899 374 HE2 TYR 47 HE2 TYR 47 -5.987 -6.887 -4.263 375 HH TYR 47 HH TYR 47 -8.488 -5.249 -6.064 376 H PHE 48 H PHE 48 -1.126 -2.403 -1.910 377 HA PHE 48 HA PHE 48 -1.205 -0.238 -0.044 378 HB2 PHE 48 HB2 PHE 48 1.106 -2.000 -0.958 379 HB3 PHE 48 HB3 PHE 48 1.253 -0.799 0.322 380 HD1 PHE 48 HD1 PHE 48 -1.299 -1.195 1.796 381 HD2 PHE 48 HD2 PHE 48 1.427 -4.065 0.171 382 HE1 PHE 48 HE1 PHE 48 -1.993 -2.819 3.490 383 HE2 PHE 48 HE2 PHE 48 0.713 -5.694 1.868 384 HZ PHE 48 HZ PHE 48 -0.994 -5.076 3.528 385 H PHE 49 H PHE 49 0.163 -0.666 -3.267 386 HA PHE 49 HA PHE 49 1.764 1.705 -3.295 387 HB2 PHE 49 HB2 PHE 49 2.148 -0.278 -4.786 388 HB3 PHE 49 HB3 PHE 49 0.667 0.111 -5.657 389 HD1 PHE 49 HD2 PHE 49 3.756 1.908 -4.507 390 HD2 PHE 49 HD1 PHE 49 1.015 1.238 -7.726 391 HE1 PHE 49 HE2 PHE 49 5.078 3.367 -5.945 392 HE2 PHE 49 HE1 PHE 49 2.362 2.716 -9.162 393 HZ PHE 49 HZ PHE 49 4.405 3.779 -8.269 394 H ARG 50 H ARG 50 -1.400 0.840 -4.648 395 HA ARG 50 HA ARG 50 -2.070 3.321 -5.819 396 HB2 ARG 50 HB2 ARG 50 -3.845 1.063 -4.808 397 HB3 ARG 50 HB3 ARG 50 -4.402 2.383 -5.832 398 HG2 ARG 50 HG2 ARG 50 -3.084 1.622 -7.696 399 HG3 ARG 50 HG3 ARG 50 -2.201 0.471 -6.688 400 HD2 ARG 50 HD2 ARG 50 -3.899 -0.651 -8.095 401 HD3 ARG 50 HD3 ARG 50 -4.228 -0.860 -6.373 402 HE ARG 50 HE ARG 50 -5.625 1.365 -7.606 403 HH11 ARG 50 HH11 ARG 50 -5.831 -2.075 -6.846 404 HH12 ARG 50 HH12 ARG 50 -7.562 -2.107 -6.944 405 HH21 ARG 50 HH21 ARG 50 -7.888 1.281 -7.720 406 HH22 ARG 50 HH22 ARG 50 -8.718 -0.213 -7.437 407 H ALA 51 H ALA 51 -2.458 2.029 -2.566 408 HA ALA 51 HA ALA 51 -4.062 4.089 -1.434 409 HB1 ALA 51 HB1 ALA 51 -3.775 1.905 -0.332 410 HB2 ALA 51 HB2 ALA 51 -3.268 3.212 0.740 411 HB3 ALA 51 HB3 ALA 51 -2.056 2.234 -0.093 412 H ALA 52 H ALA 52 -0.547 3.511 -1.595 413 HA ALA 52 HA ALA 52 0.353 5.688 -0.074 414 HB1 ALA 52 HB1 ALA 52 2.562 5.242 -1.061 415 HB2 ALA 52 HB2 ALA 52 1.818 4.224 -2.298 416 HB3 ALA 52 HB3 ALA 52 1.761 3.736 -0.603 417 H ILE 53 H ILE 53 -0.433 5.439 -3.525 418 HA ILE 53 HA ILE 53 0.567 7.864 -4.501 419 HB ILE 53 HB ILE 53 -1.947 6.339 -5.350 420 HG12 ILE 53 HG12 ILE 53 0.818 6.401 -6.642 421 HG13 ILE 53 HG13 ILE 53 0.249 5.115 -5.597 422 HG21 ILE 53 HG21 ILE 53 -0.548 8.590 -6.848 423 HG22 ILE 53 HG22 ILE 53 -2.150 8.672 -6.115 424 HG23 ILE 53 HG23 ILE 53 -1.866 7.602 -7.488 425 HD11 ILE 53 HD11 ILE 53 -0.883 5.853 -8.295 426 HD12 ILE 53 HD12 ILE 53 -1.513 4.591 -7.233 427 HD13 ILE 53 HD13 ILE 53 0.110 4.449 -7.902 428 H VAL 54 H VAL 54 -2.533 7.155 -2.898 429 HA VAL 54 HA VAL 54 -3.789 9.668 -3.245 430 HB VAL 54 HB VAL 54 -4.307 7.688 -0.978 431 HG11 VAL 54 HG11 VAL 54 -6.629 8.603 -1.002 432 HG12 VAL 54 HG12 VAL 54 -6.144 9.771 -2.233 433 HG13 VAL 54 HG13 VAL 54 -5.433 9.848 -0.621 434 HG21 VAL 54 HG21 VAL 54 -5.486 7.696 -3.782 435 HG22 VAL 54 HG22 VAL 54 -5.977 6.625 -2.469 436 HG23 VAL 54 HG23 VAL 54 -4.348 6.512 -3.136 437 H PHE 55 H PHE 55 -1.988 8.281 -0.501 438 HA PHE 55 HA PHE 55 -2.142 10.554 1.201 439 HB2 PHE 55 HB2 PHE 55 -0.166 8.237 1.266 440 HB3 PHE 55 HB3 PHE 55 -0.420 9.393 2.573 441 HD1 PHE 55 HD1 PHE 55 -3.050 9.643 3.232 442 HD2 PHE 55 HD2 PHE 55 -1.234 6.156 1.526 443 HE1 PHE 55 HE1 PHE 55 -4.843 8.243 4.151 444 HE2 PHE 55 HE2 PHE 55 -3.038 4.774 2.452 445 HZ PHE 55 HZ PHE 55 -4.839 5.819 3.761 446 H TYR 56 H TYR 56 0.104 9.634 -1.341 447 HA TYR 56 HA TYR 56 2.218 11.427 -0.680 448 HB2 TYR 56 HB2 TYR 56 2.669 9.545 -2.155 449 HB3 TYR 56 HB3 TYR 56 1.454 10.092 -3.311 450 HD1 TYR 56 HD2 TYR 56 4.540 11.440 -1.614 451 HD2 TYR 56 HD1 TYR 56 2.271 11.199 -5.234 452 HE1 TYR 56 HE2 TYR 56 6.229 12.791 -2.759 453 HE2 TYR 56 HE1 TYR 56 3.954 12.561 -6.370 454 HH TYR 56 HH TYR 56 7.011 13.305 -4.981 455 H LYS 57 H LYS 57 -0.488 11.658 -3.014 456 HA LYS 57 HA LYS 57 -0.079 14.288 -3.904 457 HB2 LYS 57 HB2 LYS 57 -2.478 12.459 -3.852 458 HB3 LYS 57 HB3 LYS 57 -2.756 14.160 -4.215 459 HG2 LYS 57 HG2 LYS 57 -2.527 12.902 -6.267 460 HG3 LYS 57 HG3 LYS 57 -1.187 14.036 -6.086 461 HD2 LYS 57 HD2 LYS 57 0.215 12.091 -5.230 462 HD3 LYS 57 HD3 LYS 57 -1.126 11.027 -5.656 463 HE2 LYS 57 HE2 LYS 57 0.414 12.776 -7.600 464 HE3 LYS 57 HE3 LYS 57 0.624 11.041 -7.383 465 HZ1 LYS 57 HZ1 LYS 57 -0.745 11.437 -9.278 466 HZ2 LYS 57 HZ2 LYS 57 -1.804 12.416 -8.395 467 HZ3 LYS 57 HZ3 LYS 57 -1.715 10.759 -8.068 468 H GLU 58 H GLU 58 -1.881 13.065 -1.145 469 HA GLU 58 HA GLU 58 -2.742 15.686 -0.290 470 HB2 GLU 58 HB2 GLU 58 -2.955 13.004 1.137 471 HB3 GLU 58 HB3 GLU 58 -3.776 14.489 1.613 472 HG2 GLU 58 HG2 GLU 58 -4.260 12.810 -0.857 473 HG3 GLU 58 HG3 GLU 58 -5.387 13.161 0.451 474 H HIS 59 H HIS 59 0.145 14.093 -0.129 475 HA HIS 59 HA HIS 59 2.107 14.405 0.838 476 HB2 HIS 59 HB2 HIS 59 0.890 17.112 1.460 477 HB3 HIS 59 HB3 HIS 59 2.584 16.741 1.779 478 HD1 HIS 59 HD1 HIS 59 4.093 16.249 -0.330 479 HD2 HIS 59 HD2 HIS 59 0.325 17.691 -1.219 480 HE1 HIS 59 HE1 HIS 59 4.212 16.976 -2.716 481 HE2 HIS 59 HE2 HIS 59 1.976 18.046 -3.163 482 H ASP 60 H ASP 60 -0.039 13.183 2.389 483 HA ASP 60 HA ASP 60 0.579 13.718 5.179 484 HB2 ASP 60 HB2 ASP 60 -1.772 13.164 4.457 485 HB3 ASP 60 HB3 ASP 60 -1.219 11.571 3.938 486 H THR 61 H THR 61 2.557 13.056 5.686 487 HA THR 61 HA THR 61 4.033 11.021 4.383 488 HB THR 61 HB THR 61 5.756 11.463 6.166 489 HG1 THR 61 HG1 THR 61 4.034 13.492 7.163 490 HG21 THR 61 HG21 THR 61 5.717 12.867 4.152 491 HG22 THR 61 HG22 THR 61 6.201 13.812 5.564 492 HG23 THR 61 HG23 THR 61 4.564 13.960 4.922 493 H ASP 62 H ASP 62 1.918 10.965 7.151 494 HA ASP 62 HA ASP 62 2.992 8.729 8.539 495 HB2 ASP 62 HB2 ASP 62 1.471 10.269 9.682 496 HB3 ASP 62 HB3 ASP 62 0.181 9.912 8.535 497 H GLY 63 H GLY 63 0.138 8.999 6.414 498 HA2 GLY 63 HA2 GLY 63 -0.411 6.205 6.283 499 HA3 GLY 63 HA3 GLY 63 -1.120 7.464 5.283 500 H LEU 64 H LEU 64 1.401 8.449 4.265 501 HA LEU 64 HA LEU 64 1.807 6.787 2.011 502 HB2 LEU 64 HB2 LEU 64 2.204 9.188 1.900 503 HB3 LEU 64 HB3 LEU 64 3.434 9.086 3.146 504 HG LEU 64 HG LEU 64 4.924 7.831 1.588 505 HD11 LEU 64 HD11 LEU 64 2.779 8.276 -0.498 506 HD12 LEU 64 HD12 LEU 64 3.258 6.724 0.199 507 HD13 LEU 64 HD13 LEU 64 4.399 7.635 -0.789 508 HD21 LEU 64 HD21 LEU 64 3.936 10.452 0.438 509 HD22 LEU 64 HD22 LEU 64 5.493 9.686 0.106 510 HD23 LEU 64 HD23 LEU 64 5.127 10.261 1.731 511 H ARG 65 H ARG 65 3.754 7.364 4.951 512 HA ARG 65 HA ARG 65 5.901 5.591 4.352 513 HB2 ARG 65 HB2 ARG 65 5.964 7.484 6.027 514 HB3 ARG 65 HB3 ARG 65 4.931 6.536 7.089 515 HG2 ARG 65 HG2 ARG 65 6.687 4.846 7.358 516 HG3 ARG 65 HG3 ARG 65 7.703 5.683 6.181 517 HD2 ARG 65 HD2 ARG 65 7.607 7.709 7.737 518 HD3 ARG 65 HD3 ARG 65 6.893 6.637 8.941 519 HE ARG 65 HE ARG 65 9.089 5.286 8.437 520 HH11 ARG 65 HH11 ARG 65 8.748 8.781 8.795 521 HH12 ARG 65 HH12 ARG 65 10.360 8.998 9.398 522 HH21 ARG 65 HH21 ARG 65 11.216 5.597 9.196 523 HH22 ARG 65 HH22 ARG 65 11.760 7.186 9.627 524 H ARG 66 H ARG 66 2.870 5.275 6.091 525 HA ARG 66 HA ARG 66 3.167 2.739 7.273 526 HB2 ARG 66 HB2 ARG 66 1.425 4.450 7.844 527 HB3 ARG 66 HB3 ARG 66 0.640 4.135 6.302 528 HG2 ARG 66 HG2 ARG 66 0.169 1.813 7.037 529 HG3 ARG 66 HG3 ARG 66 0.926 2.166 8.594 530 HD2 ARG 66 HD2 ARG 66 -1.550 3.491 7.445 531 HD3 ARG 66 HD3 ARG 66 -1.502 2.348 8.786 532 HE ARG 66 HE ARG 66 -0.669 5.166 8.823 533 HH11 ARG 66 HH11 ARG 66 -1.118 2.180 10.646 534 HH12 ARG 66 HH12 ARG 66 -0.991 2.968 12.185 535 HH21 ARG 66 HH21 ARG 66 -0.441 6.151 10.845 536 HH22 ARG 66 HH22 ARG 66 -0.611 5.211 12.292 537 H ALA 67 H ALA 67 1.748 3.757 4.174 538 HA ALA 67 HA ALA 67 1.101 1.114 3.257 539 HB1 ALA 67 HB1 ALA 67 0.475 2.237 1.156 540 HB2 ALA 67 HB2 ALA 67 1.197 3.740 1.737 541 HB3 ALA 67 HB3 ALA 67 -0.213 3.065 2.555 542 H ALA 68 H ALA 68 3.856 3.301 2.903 543 HA ALA 68 HA ALA 68 5.131 2.070 0.666 544 HB1 ALA 68 HB1 ALA 68 7.110 3.388 1.320 545 HB2 ALA 68 HB2 ALA 68 6.361 3.762 2.876 546 HB3 ALA 68 HB3 ALA 68 5.652 4.381 1.383 547 H LYS 69 H LYS 69 5.587 1.797 4.162 548 HA LYS 69 HA LYS 69 7.692 -0.095 4.149 549 HB2 LYS 69 HB2 LYS 69 5.682 0.657 6.297 550 HB3 LYS 69 HB3 LYS 69 7.027 -0.450 6.561 551 HG2 LYS 69 HG2 LYS 69 8.614 1.382 5.961 552 HG3 LYS 69 HG3 LYS 69 7.244 2.481 5.806 553 HD2 LYS 69 HD2 LYS 69 8.181 2.859 7.975 554 HD3 LYS 69 HD3 LYS 69 6.676 1.975 8.226 555 HE2 LYS 69 HE2 LYS 69 9.418 0.675 8.179 556 HE3 LYS 69 HE3 LYS 69 8.612 1.211 9.649 557 HZ1 LYS 69 HZ1 LYS 69 8.276 -1.111 9.375 558 HZ2 LYS 69 HZ2 LYS 69 7.700 -0.925 7.800 559 HZ3 LYS 69 HZ3 LYS 69 6.795 -0.343 9.105 560 H SER 70 H SER 70 4.162 -0.395 4.663 561 HA SER 70 HA SER 70 4.077 -3.195 5.012 562 HB2 SER 70 HB2 SER 70 2.254 -1.569 5.683 563 HB3 SER 70 HB3 SER 70 1.813 -1.431 3.980 564 HG SER 70 HG SER 70 2.024 -4.012 4.950 565 H LEU 71 H LEU 71 4.058 -1.167 2.130 566 HA LEU 71 HA LEU 71 3.379 -3.042 0.144 567 HB2 LEU 71 HB2 LEU 71 3.944 -0.407 0.088 568 HB3 LEU 71 HB3 LEU 71 5.507 -0.991 -0.416 569 HG LEU 71 HG LEU 71 2.872 -1.458 -1.865 570 HD11 LEU 71 HD11 LEU 71 5.211 0.319 -2.576 571 HD12 LEU 71 HD12 LEU 71 3.625 0.839 -1.998 572 HD13 LEU 71 HD13 LEU 71 3.772 0.048 -3.564 573 HD21 LEU 71 HD21 LEU 71 5.660 -2.264 -2.752 574 HD22 LEU 71 HD22 LEU 71 4.185 -2.387 -3.718 575 HD23 LEU 71 HD23 LEU 71 4.363 -3.358 -2.260 576 H LYS 72 H LYS 72 6.551 -1.992 1.363 577 HA LYS 72 HA LYS 72 8.198 -3.769 -0.045 578 HB2 LYS 72 HB2 LYS 72 8.959 -1.663 0.952 579 HB3 LYS 72 HB3 LYS 72 8.618 -2.257 2.567 580 HG2 LYS 72 HG2 LYS 72 10.600 -3.777 0.898 581 HG3 LYS 72 HG3 LYS 72 11.088 -2.218 1.555 582 HD2 LYS 72 HD2 LYS 72 10.707 -2.985 3.839 583 HD3 LYS 72 HD3 LYS 72 9.987 -4.492 3.265 584 HE2 LYS 72 HE2 LYS 72 12.143 -5.207 2.363 585 HE3 LYS 72 HE3 LYS 72 12.877 -3.670 2.829 586 HZ1 LYS 72 HZ1 LYS 72 11.755 -5.704 4.674 587 HZ2 LYS 72 HZ2 LYS 72 12.373 -4.207 5.144 588 HZ3 LYS 72 HZ3 LYS 72 13.392 -5.354 4.438 589 H GLU 73 H GLU 73 6.585 -4.060 3.060 590 HA GLU 73 HA GLU 73 7.802 -6.485 3.952 591 HB2 GLU 73 HB2 GLU 73 5.296 -4.971 4.779 592 HB3 GLU 73 HB3 GLU 73 5.813 -6.447 5.593 593 HG2 GLU 73 HG2 GLU 73 7.842 -5.406 6.375 594 HG3 GLU 73 HG3 GLU 73 7.595 -4.005 5.335 595 H ALA 74 H ALA 74 4.983 -5.676 1.997 596 HA ALA 74 HA ALA 74 3.917 -8.329 1.802 597 HB1 ALA 74 HB1 ALA 74 3.489 -5.949 -0.041 598 HB2 ALA 74 HB2 ALA 74 2.499 -6.364 1.361 599 HB3 ALA 74 HB3 ALA 74 2.542 -7.439 -0.039 600 H ILE 75 H ILE 75 6.375 -6.479 0.047 601 HA ILE 75 HA ILE 75 6.525 -7.999 -2.332 602 HB ILE 75 HB ILE 75 8.785 -6.424 -1.013 603 HG12 ILE 75 HG12 ILE 75 6.953 -4.903 -1.373 604 HG13 ILE 75 HG13 ILE 75 8.110 -4.606 -2.658 605 HG21 ILE 75 HG21 ILE 75 9.755 -6.297 -3.296 606 HG22 ILE 75 HG22 ILE 75 8.478 -7.359 -3.891 607 HG23 ILE 75 HG23 ILE 75 9.646 -7.956 -2.711 608 HD11 ILE 75 HD11 ILE 75 5.918 -4.532 -3.541 609 HD12 ILE 75 HD12 ILE 75 5.512 -6.098 -2.851 610 HD13 ILE 75 HD13 ILE 75 6.697 -5.985 -4.156 611 H THR 76 H THR 76 8.469 -8.117 0.607 612 HA THR 76 HA THR 76 9.981 -10.417 -0.171 613 HB THR 76 HB THR 76 10.797 -10.289 2.246 614 HG1 THR 76 HG1 THR 76 9.589 -7.765 2.472 615 HG21 THR 76 HG21 THR 76 12.008 -9.128 0.421 616 HG22 THR 76 HG22 THR 76 12.056 -8.182 1.910 617 HG23 THR 76 HG23 THR 76 10.956 -7.723 0.610 618 H ALA 77 H ALA 77 6.813 -10.115 0.867 619 HA ALA 77 HA ALA 77 6.663 -12.854 1.973 620 HB1 ALA 77 HB1 ALA 77 4.606 -10.614 2.033 621 HB2 ALA 77 HB2 ALA 77 5.673 -11.070 3.364 622 HB3 ALA 77 HB3 ALA 77 4.442 -12.198 2.795 623 H ILE 78 H ILE 78 6.354 -11.305 -1.016 624 HA ILE 78 HA ILE 78 3.904 -12.181 -2.057 625 HB ILE 78 HB ILE 78 6.511 -11.505 -3.474 626 HG12 ILE 78 HG12 ILE 78 3.840 -10.039 -3.333 627 HG13 ILE 78 HG13 ILE 78 5.275 -9.636 -2.407 628 HG21 ILE 78 HG21 ILE 78 3.890 -12.168 -4.872 629 HG22 ILE 78 HG22 ILE 78 5.369 -13.127 -4.943 630 HG23 ILE 78 HG23 ILE 78 5.333 -11.513 -5.652 631 HD11 ILE 78 HD11 ILE 78 4.983 -9.442 -5.402 632 HD12 ILE 78 HD12 ILE 78 6.451 -9.071 -4.483 633 HD13 ILE 78 HD13 ILE 78 4.992 -8.111 -4.242 634 HA PRO 79 HA PRO 79 4.743 -16.637 -2.584 635 HB2 PRO 79 HB2 PRO 79 2.307 -17.360 -3.574 636 HB3 PRO 79 HB3 PRO 79 2.514 -16.947 -1.858 637 HG2 PRO 79 HG2 PRO 79 1.481 -15.207 -4.084 638 HG3 PRO 79 HG3 PRO 79 0.816 -15.447 -2.450 639 HD2 PRO 79 HD2 PRO 79 2.372 -13.296 -3.073 640 HD3 PRO 79 HD3 PRO 79 2.371 -14.023 -1.451 641 H GLU 80 H GLU 80 5.207 -17.940 -4.368 642 HA GLU 80 HA GLU 80 5.858 -18.554 -6.428 643 HB2 GLU 80 HB2 GLU 80 3.781 -16.533 -7.394 644 HB3 GLU 80 HB3 GLU 80 4.594 -17.693 -8.437 645 HG2 GLU 80 HG2 GLU 80 2.771 -18.423 -6.116 646 HG3 GLU 80 HG3 GLU 80 2.289 -18.391 -7.813 647 H GLU 81 H GLU 81 6.980 -17.764 -8.449 648 HA GLU 81 HA GLU 81 8.892 -15.693 -7.866 649 HB2 GLU 81 HB2 GLU 81 8.396 -17.199 -10.474 650 HB3 GLU 81 HB3 GLU 81 9.819 -16.230 -10.101 651 HG2 GLU 81 HG2 GLU 81 8.991 -18.782 -8.678 652 HG3 GLU 81 HG3 GLU 81 10.266 -18.639 -9.884 653 H GLU 82 H GLU 82 5.871 -15.875 -9.567 654 HA GLU 82 HA GLU 82 6.084 -13.420 -11.045 655 HB2 GLU 82 HB2 GLU 82 3.607 -15.001 -10.239 656 HB3 GLU 82 HB3 GLU 82 3.641 -13.666 -11.395 657 HG2 GLU 82 HG2 GLU 82 5.278 -15.040 -12.770 658 HG3 GLU 82 HG3 GLU 82 4.932 -16.393 -11.691 659 H GLY 83 H GLY 83 5.114 -11.438 -10.556 660 HA2 GLY 83 HA2 GLY 83 4.256 -9.758 -9.252 661 HA3 GLY 83 HA3 GLY 83 4.134 -10.864 -7.904 662 H ARG 84 H ARG 84 7.009 -11.672 -8.245 663 HA ARG 84 HA ARG 84 8.012 -10.142 -6.163 664 HB2 ARG 84 HB2 ARG 84 9.367 -11.955 -8.183 665 HB3 ARG 84 HB3 ARG 84 10.311 -11.137 -6.942 666 HG2 ARG 84 HG2 ARG 84 8.020 -13.067 -6.418 667 HG3 ARG 84 HG3 ARG 84 9.741 -13.450 -6.304 668 HD2 ARG 84 HD2 ARG 84 9.977 -11.722 -4.510 669 HD3 ARG 84 HD3 ARG 84 8.234 -11.439 -4.588 670 HE ARG 84 HE ARG 84 8.301 -14.064 -4.108 671 HH11 ARG 84 HH11 ARG 84 10.016 -11.444 -2.503 672 HH12 ARG 84 HH12 ARG 84 10.105 -12.277 -0.988 673 HH21 ARG 84 HH21 ARG 84 8.448 -15.130 -2.121 674 HH22 ARG 84 HH22 ARG 84 9.220 -14.362 -0.771 675 H LYS 85 H LYS 85 8.938 -9.910 -9.621 676 HA LYS 85 HA LYS 85 10.779 -7.760 -9.240 677 HB2 LYS 85 HB2 LYS 85 11.018 -9.313 -11.114 678 HB3 LYS 85 HB3 LYS 85 9.452 -8.841 -11.758 679 HG2 LYS 85 HG2 LYS 85 11.247 -7.827 -13.068 680 HG3 LYS 85 HG3 LYS 85 10.319 -6.578 -12.230 681 HD2 LYS 85 HD2 LYS 85 12.103 -6.423 -10.500 682 HD3 LYS 85 HD3 LYS 85 13.023 -7.674 -11.343 683 HE2 LYS 85 HE2 LYS 85 12.312 -4.936 -12.451 684 HE3 LYS 85 HE3 LYS 85 13.900 -5.443 -11.871 685 HZ1 LYS 85 HZ1 LYS 85 12.453 -6.544 -14.215 686 HZ2 LYS 85 HZ2 LYS 85 13.925 -7.131 -13.627 687 HZ3 LYS 85 HZ3 LYS 85 13.829 -5.567 -14.244 688 H GLU 86 H GLU 86 7.542 -7.870 -10.760 689 HA GLU 86 HA GLU 86 7.403 -5.209 -11.596 690 HB2 GLU 86 HB2 GLU 86 4.974 -5.627 -11.895 691 HB3 GLU 86 HB3 GLU 86 5.955 -6.950 -12.513 692 HG2 GLU 86 HG2 GLU 86 5.492 -8.211 -10.387 693 HG3 GLU 86 HG3 GLU 86 4.397 -6.915 -9.914 694 H ALA 87 H ALA 87 6.321 -6.709 -8.585 695 HA ALA 87 HA ALA 87 5.040 -4.361 -7.552 696 HB1 ALA 87 HB1 ALA 87 4.669 -5.692 -5.554 697 HB2 ALA 87 HB2 ALA 87 5.773 -6.932 -6.148 698 HB3 ALA 87 HB3 ALA 87 4.262 -6.618 -7.000 699 H LYS 88 H LYS 88 8.231 -5.844 -7.284 700 HA LYS 88 HA LYS 88 9.187 -4.526 -4.977 701 HB2 LYS 88 HB2 LYS 88 10.194 -6.512 -6.519 702 HB3 LYS 88 HB3 LYS 88 11.140 -5.207 -7.194 703 HG2 LYS 88 HG2 LYS 88 11.069 -6.015 -4.274 704 HG3 LYS 88 HG3 LYS 88 12.309 -6.505 -5.424 705 HD2 LYS 88 HD2 LYS 88 13.007 -4.132 -5.667 706 HD3 LYS 88 HD3 LYS 88 11.751 -3.643 -4.524 707 HE2 LYS 88 HE2 LYS 88 12.835 -4.948 -2.748 708 HE3 LYS 88 HE3 LYS 88 14.059 -5.516 -3.885 709 HZ1 LYS 88 HZ1 LYS 88 14.869 -3.706 -2.531 710 HZ2 LYS 88 HZ2 LYS 88 13.625 -2.700 -3.074 711 HZ3 LYS 88 HZ3 LYS 88 14.804 -3.241 -4.156 712 H GLU 89 H GLU 89 9.141 -3.677 -8.403 713 HA GLU 89 HA GLU 89 10.675 -1.322 -8.407 714 HB2 GLU 89 HB2 GLU 89 8.248 -1.886 -10.162 715 HB3 GLU 89 HB3 GLU 89 9.560 -0.765 -10.514 716 HG2 GLU 89 HG2 GLU 89 9.673 -3.789 -10.472 717 HG3 GLU 89 HG3 GLU 89 9.845 -2.731 -11.870 718 H MET 90 H MET 90 7.283 -1.908 -7.678 719 HA MET 90 HA MET 90 6.458 0.817 -7.442 720 HB2 MET 90 HB2 MET 90 5.196 -1.678 -6.252 721 HB3 MET 90 HB3 MET 90 4.406 -0.121 -6.445 722 HG2 MET 90 HG2 MET 90 4.763 -0.402 -8.956 723 HG3 MET 90 HG3 MET 90 5.211 -2.073 -8.611 724 HE1 MET 90 HE1 MET 90 3.043 -2.330 -5.971 725 HE2 MET 90 HE2 MET 90 3.492 -3.647 -7.056 726 HE3 MET 90 HE3 MET 90 1.794 -3.233 -6.826 727 H ALA 91 H ALA 91 7.691 -1.618 -5.179 728 HA ALA 91 HA ALA 91 7.305 -0.247 -2.732 729 HB1 ALA 91 HB1 ALA 91 7.827 -2.655 -2.848 730 HB2 ALA 91 HB2 ALA 91 8.974 -1.809 -1.808 731 HB3 ALA 91 HB3 ALA 91 9.448 -2.284 -3.441 732 H LYS 92 H LYS 92 9.857 -0.132 -5.183 733 HA LYS 92 HA LYS 92 11.734 1.518 -3.857 734 HB2 LYS 92 HB2 LYS 92 11.140 1.357 -6.848 735 HB3 LYS 92 HB3 LYS 92 12.580 2.079 -6.133 736 HG2 LYS 92 HG2 LYS 92 13.321 -0.079 -5.312 737 HG3 LYS 92 HG3 LYS 92 11.819 -0.840 -5.848 738 HD2 LYS 92 HD2 LYS 92 12.416 -0.271 -8.212 739 HD3 LYS 92 HD3 LYS 92 13.946 0.399 -7.640 740 HE2 LYS 92 HE2 LYS 92 14.607 -1.813 -6.801 741 HE3 LYS 92 HE3 LYS 92 13.058 -2.485 -7.317 742 HZ1 LYS 92 HZ1 LYS 92 13.618 -2.065 -9.587 743 HZ2 LYS 92 HZ2 LYS 92 14.895 -2.919 -8.880 744 HZ3 LYS 92 HZ3 LYS 92 15.044 -1.259 -9.156 745 H LYS 93 H LYS 93 8.962 2.241 -5.975 746 HA LYS 93 HA LYS 93 9.288 5.033 -6.151 747 HB2 LYS 93 HB2 LYS 93 7.073 3.105 -6.747 748 HB3 LYS 93 HB3 LYS 93 6.594 4.786 -6.571 749 HG2 LYS 93 HG2 LYS 93 8.752 3.830 -8.473 750 HG3 LYS 93 HG3 LYS 93 7.064 4.100 -8.928 751 HD2 LYS 93 HD2 LYS 93 7.243 6.475 -8.288 752 HD3 LYS 93 HD3 LYS 93 8.905 6.232 -7.762 753 HE2 LYS 93 HE2 LYS 93 8.779 7.311 -9.983 754 HE3 LYS 93 HE3 LYS 93 9.578 5.740 -10.078 755 HZ1 LYS 93 HZ1 LYS 93 7.526 4.785 -10.893 756 HZ2 LYS 93 HZ2 LYS 93 7.987 6.083 -11.874 757 HZ3 LYS 93 HZ3 LYS 93 6.739 6.270 -10.753 758 H ALA 94 H ALA 94 7.252 3.102 -3.973 759 HA ALA 94 HA ALA 94 6.031 5.209 -2.557 760 HB1 ALA 94 HB1 ALA 94 5.432 3.490 -0.906 761 HB2 ALA 94 HB2 ALA 94 6.604 2.376 -1.615 762 HB3 ALA 94 HB3 ALA 94 5.198 2.889 -2.548 763 H GLU 95 H GLU 95 9.092 3.546 -2.091 764 HA GLU 95 HA GLU 95 9.882 4.632 0.414 765 HB2 GLU 95 HB2 GLU 95 10.779 2.545 -0.850 766 HB3 GLU 95 HB3 GLU 95 11.743 3.659 -1.799 767 HG2 GLU 95 HG2 GLU 95 11.934 3.405 1.216 768 HG3 GLU 95 HG3 GLU 95 12.929 2.476 0.106 769 H GLU 96 H GLU 96 10.406 5.579 -2.976 770 HA GLU 96 HA GLU 96 12.190 7.766 -2.537 771 HB2 GLU 96 HB2 GLU 96 10.451 7.027 -4.926 772 HB3 GLU 96 HB3 GLU 96 11.605 8.362 -4.944 773 HG2 GLU 96 HG2 GLU 96 13.459 6.865 -4.632 774 HG3 GLU 96 HG3 GLU 96 12.379 5.498 -4.359 775 H TRP 97 H TRP 97 8.692 7.481 -2.751 776 HA TRP 97 HA TRP 97 8.061 10.250 -2.900 777 HB2 TRP 97 HB2 TRP 97 6.404 7.907 -1.859 778 HB3 TRP 97 HB3 TRP 97 5.771 9.531 -2.101 779 HD1 TRP 97 HD1 TRP 97 7.643 9.614 -4.992 780 HE1 TRP 97 HE1 TRP 97 6.503 8.583 -7.039 781 HE3 TRP 97 HE3 TRP 97 4.063 6.860 -2.621 782 HZ2 TRP 97 HZ2 TRP 97 4.389 6.849 -7.595 783 HZ3 TRP 97 HZ3 TRP 97 2.507 5.540 -3.993 784 HH2 TRP 97 HH2 TRP 97 2.672 5.541 -6.432 785 H LEU 98 H LEU 98 8.454 7.958 -0.228 786 HA LEU 98 HA LEU 98 7.895 9.642 1.938 787 HB2 LEU 98 HB2 LEU 98 8.120 7.168 2.080 788 HB3 LEU 98 HB3 LEU 98 9.843 7.312 1.779 789 HG LEU 98 HG LEU 98 10.106 8.557 3.930 790 HD11 LEU 98 HD11 LEU 98 8.256 8.626 5.548 791 HD12 LEU 98 HD12 LEU 98 7.160 7.984 4.323 792 HD13 LEU 98 HD13 LEU 98 7.907 9.569 4.100 793 HD21 LEU 98 HD21 LEU 98 8.776 5.848 4.241 794 HD22 LEU 98 HD22 LEU 98 9.807 6.644 5.433 795 HD23 LEU 98 HD23 LEU 98 10.483 6.137 3.887 796 H GLN 99 H GLN 99 10.960 9.029 0.191 797 HA GLN 99 HA GLN 99 12.705 10.650 1.710 798 HB2 GLN 99 HB2 GLN 99 12.809 9.916 -1.247 799 HB3 GLN 99 HB3 GLN 99 14.129 10.697 -0.380 800 HG2 GLN 99 HG2 GLN 99 14.322 8.721 1.094 801 HG3 GLN 99 HG3 GLN 99 13.012 7.939 0.204 802 HE21 GLN 99 HE21 GLN 99 15.873 7.188 0.551 803 HE22 GLN 99 HE22 GLN 99 16.476 6.991 -1.053 804 H ALA 100 H ALA 100 10.676 11.371 -1.099 805 HA ALA 100 HA ALA 100 11.651 13.987 -1.645 806 HB1 ALA 100 HB1 ALA 100 9.732 14.145 -3.186 807 HB2 ALA 100 HB2 ALA 100 9.033 12.686 -2.479 808 HB3 ALA 100 HB3 ALA 100 10.559 12.595 -3.361 809 H GLU 101 H GLU 101 9.078 12.722 0.385 810 HA GLU 101 HA GLU 101 7.828 15.230 0.998 811 HB2 GLU 101 HB2 GLU 101 7.714 12.496 2.335 812 HB3 GLU 101 HB3 GLU 101 6.744 13.870 2.857 813 HG2 GLU 101 HG2 GLU 101 6.610 12.519 0.147 814 HG3 GLU 101 HG3 GLU 101 5.442 12.356 1.453 815 H GLN 102 H GLN 102 10.250 13.162 2.550 816 HA GLN 102 HA GLN 102 10.596 14.886 4.850 817 HB2 GLN 102 HB2 GLN 102 12.063 12.385 3.942 818 HB3 GLN 102 HB3 GLN 102 12.481 13.266 5.408 819 HG2 GLN 102 HG2 GLN 102 10.186 12.836 6.286 820 HG3 GLN 102 HG3 GLN 102 9.832 11.895 4.831 821 HE21 GLN 102 HE21 GLN 102 9.417 10.075 6.207 822 HE22 GLN 102 HE22 GLN 102 10.715 9.155 6.879 823 H ASN 103 H ASN 103 11.082 16.803 3.708 824 HA ASN 103 HA ASN 103 13.650 17.105 2.353 825 HB2 ASN 103 HB2 ASN 103 11.479 19.141 3.061 826 HB3 ASN 103 HB3 ASN 103 12.943 19.517 2.158 827 HD21 ASN 103 HD21 ASN 103 9.892 17.774 2.060 828 HD22 ASN 103 HD22 ASN 103 9.841 17.610 0.340 829 H ASN 104 H ASN 104 15.256 16.836 3.792 830 HA ASN 104 HA ASN 104 16.756 17.165 5.410 831 HB2 ASN 104 HB2 ASN 104 16.678 19.539 4.684 832 HB3 ASN 104 HB3 ASN 104 15.402 19.854 5.854 833 HD21 ASN 104 HD21 ASN 104 18.794 18.980 5.507 834 HD22 ASN 104 HD22 ASN 104 19.273 19.531 7.072 Start of MODEL 4 1 H1 ALA 1 H1 ALA 1 -14.918 -14.230 -2.807 2 H2 ALA 1 H2 ALA 1 -14.481 -15.859 -2.710 3 H3 ALA 1 H3 ALA 1 -13.300 -14.656 -2.590 4 HA ALA 1 HA ALA 1 -15.498 -15.030 -0.653 5 HB1 ALA 1 HB1 ALA 1 -13.966 -16.960 -0.627 6 HB2 ALA 1 HB2 ALA 1 -13.810 -16.016 0.857 7 HB3 ALA 1 HB3 ALA 1 -12.594 -15.874 -0.416 8 H ASP 2 H ASP 2 -14.261 -12.630 -2.098 9 HA ASP 2 HA ASP 2 -12.772 -11.145 -0.137 10 HB2 ASP 2 HB2 ASP 2 -14.184 -10.176 -2.676 11 HB3 ASP 2 HB3 ASP 2 -13.021 -9.251 -1.731 12 H GLU 3 H GLU 3 -14.051 -11.170 1.707 13 HA GLU 3 HA GLU 3 -16.740 -9.994 1.714 14 HB2 GLU 3 HB2 GLU 3 -15.082 -11.345 3.892 15 HB3 GLU 3 HB3 GLU 3 -16.677 -10.657 4.173 16 HG2 GLU 3 HG2 GLU 3 -16.068 -12.900 2.231 17 HG3 GLU 3 HG3 GLU 3 -16.735 -13.107 3.851 18 H ASN 4 H ASN 4 -13.852 -9.639 3.755 19 HA ASN 4 HA ASN 4 -14.459 -7.124 4.852 20 HB2 ASN 4 HB2 ASN 4 -11.685 -8.346 4.470 21 HB3 ASN 4 HB3 ASN 4 -12.128 -7.099 5.630 22 HD21 ASN 4 HD21 ASN 4 -11.397 -8.321 7.354 23 HD22 ASN 4 HD22 ASN 4 -12.197 -9.741 7.924 24 H ILE 5 H ILE 5 -12.526 -8.106 2.113 25 HA ILE 5 HA ILE 5 -11.448 -5.686 1.233 26 HB ILE 5 HB ILE 5 -12.132 -8.302 -0.150 27 HG12 ILE 5 HG12 ILE 5 -9.414 -7.133 0.575 28 HG13 ILE 5 HG13 ILE 5 -10.342 -8.160 1.659 29 HG21 ILE 5 HG21 ILE 5 -12.198 -6.648 -1.936 30 HG22 ILE 5 HG22 ILE 5 -10.729 -7.618 -2.085 31 HG23 ILE 5 HG23 ILE 5 -10.648 -5.985 -1.421 32 HD11 ILE 5 HD11 ILE 5 -10.192 -9.994 0.090 33 HD12 ILE 5 HD12 ILE 5 -8.596 -9.382 0.521 34 HD13 ILE 5 HD13 ILE 5 -9.301 -8.976 -1.043 35 H ALA 6 H ALA 6 -14.448 -7.357 0.144 36 HA ALA 6 HA ALA 6 -15.307 -5.359 -1.663 37 HB1 ALA 6 HB1 ALA 6 -17.484 -6.480 -1.621 38 HB2 ALA 6 HB2 ALA 6 -17.010 -7.383 -0.178 39 HB3 ALA 6 HB3 ALA 6 -16.175 -7.658 -1.709 40 H LYS 7 H LYS 7 -15.697 -5.723 1.773 41 HA LYS 7 HA LYS 7 -17.693 -3.749 2.227 42 HB2 LYS 7 HB2 LYS 7 -17.221 -5.593 3.793 43 HB3 LYS 7 HB3 LYS 7 -15.600 -4.984 4.070 44 HG2 LYS 7 HG2 LYS 7 -17.923 -3.201 4.727 45 HG3 LYS 7 HG3 LYS 7 -17.585 -4.562 5.797 46 HD2 LYS 7 HD2 LYS 7 -15.296 -3.712 6.164 47 HD3 LYS 7 HD3 LYS 7 -15.600 -2.376 5.053 48 HE2 LYS 7 HE2 LYS 7 -17.315 -1.487 6.558 49 HE3 LYS 7 HE3 LYS 7 -17.086 -2.855 7.653 50 HZ1 LYS 7 HZ1 LYS 7 -14.941 -0.939 6.945 51 HZ2 LYS 7 HZ2 LYS 7 -14.890 -2.135 8.136 52 HZ3 LYS 7 HZ3 LYS 7 -15.906 -0.798 8.320 53 H PHE 8 H PHE 8 -14.148 -3.700 2.110 54 HA PHE 8 HA PHE 8 -13.905 -0.911 2.840 55 HB2 PHE 8 HB2 PHE 8 -11.867 -2.855 1.677 56 HB3 PHE 8 HB3 PHE 8 -11.486 -1.207 2.180 57 HD1 PHE 8 HD1 PHE 8 -12.990 -0.931 4.699 58 HD2 PHE 8 HD2 PHE 8 -10.729 -4.250 3.216 59 HE1 PHE 8 HE1 PHE 8 -12.583 -1.689 7.000 60 HE2 PHE 8 HE2 PHE 8 -10.335 -4.999 5.525 61 HZ PHE 8 HZ PHE 8 -11.259 -3.724 7.416 62 H GLU 9 H GLU 9 -14.267 -2.696 -0.159 63 HA GLU 9 HA GLU 9 -13.711 -0.518 -1.946 64 HB2 GLU 9 HB2 GLU 9 -15.427 -3.007 -2.369 65 HB3 GLU 9 HB3 GLU 9 -14.983 -1.864 -3.634 66 HG2 GLU 9 HG2 GLU 9 -12.612 -2.417 -3.324 67 HG3 GLU 9 HG3 GLU 9 -13.038 -3.565 -2.054 68 H LYS 10 H LYS 10 -16.586 -1.696 -0.259 69 HA LYS 10 HA LYS 10 -18.426 0.160 -1.423 70 HB2 LYS 10 HB2 LYS 10 -19.145 -2.026 -0.434 71 HB3 LYS 10 HB3 LYS 10 -18.695 -1.441 1.162 72 HG2 LYS 10 HG2 LYS 10 -21.130 -1.299 0.829 73 HG3 LYS 10 HG3 LYS 10 -20.427 0.309 1.028 74 HD2 LYS 10 HD2 LYS 10 -20.459 0.581 -1.473 75 HD3 LYS 10 HD3 LYS 10 -21.271 -0.980 -1.604 76 HE2 LYS 10 HE2 LYS 10 -22.384 1.419 -0.103 77 HE3 LYS 10 HE3 LYS 10 -22.823 0.977 -1.751 78 HZ1 LYS 10 HZ1 LYS 10 -24.422 0.206 -0.071 79 HZ2 LYS 10 HZ2 LYS 10 -23.230 -0.778 0.608 80 HZ3 LYS 10 HZ3 LYS 10 -23.760 -1.061 -0.973 81 H ALA 11 H ALA 11 -16.200 0.204 1.273 82 HA ALA 11 HA ALA 11 -17.118 2.646 2.482 83 HB1 ALA 11 HB1 ALA 11 -14.412 1.274 2.669 84 HB2 ALA 11 HB2 ALA 11 -15.788 0.999 3.743 85 HB3 ALA 11 HB3 ALA 11 -14.992 2.574 3.718 86 H TYR 12 H TYR 12 -14.836 1.778 -0.054 87 HA TYR 12 HA TYR 12 -13.703 4.425 -0.390 88 HB2 TYR 12 HB2 TYR 12 -12.551 2.133 -0.871 89 HB3 TYR 12 HB3 TYR 12 -13.505 2.073 -2.340 90 HD1 TYR 12 HD1 TYR 12 -13.279 4.723 -3.544 91 HD2 TYR 12 HD2 TYR 12 -10.301 2.555 -1.383 92 HE1 TYR 12 HE1 TYR 12 -11.521 5.980 -4.703 93 HE2 TYR 12 HE2 TYR 12 -8.570 3.801 -2.536 94 HH TYR 12 HH TYR 12 -9.204 6.551 -4.501 95 H LYS 13 H LYS 13 -15.133 5.961 -1.187 96 HA LYS 13 HA LYS 13 -16.894 5.350 -3.452 97 HB2 LYS 13 HB2 LYS 13 -17.661 6.957 -1.712 98 HB3 LYS 13 HB3 LYS 13 -16.303 8.013 -2.081 99 HG2 LYS 13 HG2 LYS 13 -17.206 8.292 -4.403 100 HG3 LYS 13 HG3 LYS 13 -18.596 7.310 -3.946 101 HD2 LYS 13 HD2 LYS 13 -19.265 9.618 -3.848 102 HD3 LYS 13 HD3 LYS 13 -19.154 9.029 -2.192 103 HE2 LYS 13 HE2 LYS 13 -16.933 10.598 -3.540 104 HE3 LYS 13 HE3 LYS 13 -18.225 11.360 -2.622 105 HZ1 LYS 13 HZ1 LYS 13 -16.360 11.122 -1.207 106 HZ2 LYS 13 HZ2 LYS 13 -16.159 9.493 -1.600 107 HZ3 LYS 13 HZ3 LYS 13 -17.500 9.985 -0.695 108 H LYS 14 H LYS 14 -16.529 6.046 -5.552 109 HA LYS 14 HA LYS 14 -14.113 5.825 -6.738 110 HB2 LYS 14 HB2 LYS 14 -16.331 5.792 -7.863 111 HB3 LYS 14 HB3 LYS 14 -16.445 7.534 -7.715 112 HG2 LYS 14 HG2 LYS 14 -14.216 6.240 -9.292 113 HG3 LYS 14 HG3 LYS 14 -15.809 6.489 -9.999 114 HD2 LYS 14 HD2 LYS 14 -15.579 8.947 -9.497 115 HD3 LYS 14 HD3 LYS 14 -13.931 8.635 -8.948 116 HE2 LYS 14 HE2 LYS 14 -13.891 9.463 -11.230 117 HE3 LYS 14 HE3 LYS 14 -13.369 7.777 -11.212 118 HZ1 LYS 14 HZ1 LYS 14 -15.544 7.118 -11.982 119 HZ2 LYS 14 HZ2 LYS 14 -14.912 8.288 -13.027 120 HZ3 LYS 14 HZ3 LYS 14 -16.107 8.709 -11.905 121 H ALA 15 H ALA 15 -12.254 6.942 -6.652 122 HA ALA 15 HA ALA 15 -12.011 9.698 -7.211 123 HB1 ALA 15 HB1 ALA 15 -11.476 8.953 -4.321 124 HB2 ALA 15 HB2 ALA 15 -12.799 9.966 -4.896 125 HB3 ALA 15 HB3 ALA 15 -11.133 10.516 -5.067 126 H GLU 16 H GLU 16 -10.585 8.757 -8.714 127 HA GLU 16 HA GLU 16 -7.856 8.203 -7.668 128 HB2 GLU 16 HB2 GLU 16 -7.373 7.272 -9.914 129 HB3 GLU 16 HB3 GLU 16 -8.704 6.422 -9.140 130 HG2 GLU 16 HG2 GLU 16 -10.316 7.718 -10.515 131 HG3 GLU 16 HG3 GLU 16 -8.968 8.536 -11.305 132 H GLU 17 H GLU 17 -9.493 10.751 -8.138 133 HA GLU 17 HA GLU 17 -7.545 12.387 -9.563 134 HB2 GLU 17 HB2 GLU 17 -9.189 11.538 -11.272 135 HB3 GLU 17 HB3 GLU 17 -10.504 12.243 -10.339 136 HG2 GLU 17 HG2 GLU 17 -9.513 14.515 -10.758 137 HG3 GLU 17 HG3 GLU 17 -8.277 13.752 -11.757 138 H LEU 18 H LEU 18 -8.388 14.790 -9.388 139 HA LEU 18 HA LEU 18 -9.032 16.609 -8.243 140 HB2 LEU 18 HB2 LEU 18 -10.663 14.775 -6.433 141 HB3 LEU 18 HB3 LEU 18 -10.754 16.526 -6.461 142 HG LEU 18 HG LEU 18 -11.570 14.719 -8.778 143 HD11 LEU 18 HD11 LEU 18 -13.893 15.258 -8.194 144 HD12 LEU 18 HD12 LEU 18 -13.346 16.176 -6.786 145 HD13 LEU 18 HD13 LEU 18 -13.080 14.432 -6.864 146 HD21 LEU 18 HD21 LEU 18 -11.909 17.709 -8.393 147 HD22 LEU 18 HD22 LEU 18 -12.574 16.754 -9.725 148 HD23 LEU 18 HD23 LEU 18 -10.829 16.911 -9.541 149 H ASN 19 H ASN 19 -8.143 17.797 -6.527 150 HA ASN 19 HA ASN 19 -5.978 16.553 -5.111 151 HB2 ASN 19 HB2 ASN 19 -5.813 18.850 -6.042 152 HB3 ASN 19 HB3 ASN 19 -7.060 19.396 -4.921 153 HD21 ASN 19 HD21 ASN 19 -5.645 20.922 -4.002 154 HD22 ASN 19 HD22 ASN 19 -4.350 20.465 -2.953 155 H GLN 20 H GLN 20 -7.140 15.008 -3.910 156 HA GLN 20 HA GLN 20 -8.133 15.844 -1.320 157 HB2 GLN 20 HB2 GLN 20 -10.259 14.488 -1.585 158 HB3 GLN 20 HB3 GLN 20 -10.219 15.940 -2.582 159 HG2 GLN 20 HG2 GLN 20 -9.633 14.584 -4.549 160 HG3 GLN 20 HG3 GLN 20 -9.659 13.128 -3.554 161 HE21 GLN 20 HE21 GLN 20 -11.228 12.309 -5.027 162 HE22 GLN 20 HE22 GLN 20 -12.889 12.781 -4.918 163 H GLY 21 H GLY 21 -8.370 14.012 0.119 164 HA2 GLY 21 HA2 GLY 21 -7.356 11.409 -0.574 165 HA3 GLY 21 HA3 GLY 21 -6.216 12.392 0.336 166 H GLU 22 H GLU 22 -6.660 10.310 1.660 167 HA GLU 22 HA GLU 22 -7.247 9.428 3.625 168 HB2 GLU 22 HB2 GLU 22 -7.100 11.640 4.641 169 HB3 GLU 22 HB3 GLU 22 -8.731 12.037 4.112 170 HG2 GLU 22 HG2 GLU 22 -9.707 10.448 5.622 171 HG3 GLU 22 HG3 GLU 22 -8.130 9.770 6.023 172 H LEU 23 H LEU 23 -10.159 11.098 2.389 173 HA LEU 23 HA LEU 23 -12.160 9.245 2.977 174 HB2 LEU 23 HB2 LEU 23 -12.052 10.769 0.355 175 HB3 LEU 23 HB3 LEU 23 -13.478 10.279 1.247 176 HG LEU 23 HG LEU 23 -11.526 12.411 2.194 177 HD11 LEU 23 HD11 LEU 23 -12.555 13.158 0.128 178 HD12 LEU 23 HD12 LEU 23 -13.218 14.058 1.491 179 HD13 LEU 23 HD13 LEU 23 -14.166 12.768 0.744 180 HD21 LEU 23 HD21 LEU 23 -12.757 11.386 4.031 181 HD22 LEU 23 HD22 LEU 23 -14.291 11.667 3.203 182 HD23 LEU 23 HD23 LEU 23 -13.319 13.034 3.762 183 H MET 24 H MET 24 -9.874 9.369 0.349 184 HA MET 24 HA MET 24 -10.494 6.601 -0.485 185 HB2 MET 24 HB2 MET 24 -9.815 7.148 -2.736 186 HB3 MET 24 HB3 MET 24 -11.043 8.298 -2.256 187 HG2 MET 24 HG2 MET 24 -8.066 8.821 -2.346 188 HG3 MET 24 HG3 MET 24 -9.242 9.337 -3.555 189 HE1 MET 24 HE1 MET 24 -11.416 11.809 -1.353 190 HE2 MET 24 HE2 MET 24 -11.671 10.107 -1.769 191 HE3 MET 24 HE3 MET 24 -11.151 11.253 -3.006 192 H GLY 25 H GLY 25 -8.433 5.670 -1.617 193 HA2 GLY 25 HA2 GLY 25 -6.183 5.117 -1.577 194 HA3 GLY 25 HA3 GLY 25 -5.888 6.451 -0.470 195 H ARG 26 H ARG 26 -7.319 6.000 1.696 196 HA ARG 26 HA ARG 26 -5.769 4.112 3.087 197 HB2 ARG 26 HB2 ARG 26 -6.841 6.225 4.040 198 HB3 ARG 26 HB3 ARG 26 -8.370 5.349 4.088 199 HG2 ARG 26 HG2 ARG 26 -7.399 3.710 5.653 200 HG3 ARG 26 HG3 ARG 26 -5.843 4.538 5.568 201 HD2 ARG 26 HD2 ARG 26 -6.998 6.604 6.475 202 HD3 ARG 26 HD3 ARG 26 -8.430 5.607 6.734 203 HE ARG 26 HE ARG 26 -7.335 4.484 8.465 204 HH11 ARG 26 HH11 ARG 26 -5.199 6.885 7.017 205 HH12 ARG 26 HH12 ARG 26 -4.064 6.844 8.326 206 HH21 ARG 26 HH21 ARG 26 -5.838 4.477 10.203 207 HH22 ARG 26 HH22 ARG 26 -4.428 5.486 10.118 208 H ALA 27 H ALA 27 -8.947 3.848 1.628 209 HA ALA 27 HA ALA 27 -9.723 1.416 2.933 210 HB1 ALA 27 HB1 ALA 27 -11.544 1.348 1.292 211 HB2 ALA 27 HB2 ALA 27 -10.787 2.654 0.377 212 HB3 ALA 27 HB3 ALA 27 -11.397 2.955 2.005 213 H LEU 28 H LEU 28 -8.040 2.209 -0.121 214 HA LEU 28 HA LEU 28 -7.826 -0.438 -1.131 215 HB2 LEU 28 HB2 LEU 28 -6.064 1.995 -1.517 216 HB3 LEU 28 HB3 LEU 28 -5.721 0.468 -2.312 217 HG LEU 28 HG LEU 28 -8.187 2.162 -2.705 218 HD11 LEU 28 HD11 LEU 28 -7.331 2.617 -4.940 219 HD12 LEU 28 HD12 LEU 28 -5.880 1.671 -4.593 220 HD13 LEU 28 HD13 LEU 28 -6.196 3.164 -3.705 221 HD21 LEU 28 HD21 LEU 28 -8.753 -0.195 -2.937 222 HD22 LEU 28 HD22 LEU 28 -7.433 -0.421 -4.086 223 HD23 LEU 28 HD23 LEU 28 -8.802 0.614 -4.501 224 H TYR 29 H TYR 29 -5.783 1.501 1.014 225 HA TYR 29 HA TYR 29 -3.692 -0.260 1.543 226 HB2 TYR 29 HB2 TYR 29 -3.663 2.070 2.336 227 HB3 TYR 29 HB3 TYR 29 -5.040 1.771 3.384 228 HD1 TYR 29 HD2 TYR 29 -1.597 0.380 2.805 229 HD2 TYR 29 HD1 TYR 29 -4.553 1.501 5.682 230 HE1 TYR 29 HE2 TYR 29 -0.047 -0.177 4.616 231 HE2 TYR 29 HE1 TYR 29 -2.994 0.939 7.496 232 HH TYR 29 HH TYR 29 -1.008 -0.503 7.835 233 H ASN 30 H ASN 30 -6.902 0.018 3.051 234 HA ASN 30 HA ASN 30 -6.605 -2.016 4.993 235 HB2 ASN 30 HB2 ASN 30 -9.096 -0.849 3.707 236 HB3 ASN 30 HB3 ASN 30 -9.141 -1.978 5.057 237 HD21 ASN 30 HD21 ASN 30 -6.793 -0.823 6.409 238 HD22 ASN 30 HD22 ASN 30 -7.324 0.687 7.052 239 H ILE 31 H ILE 31 -7.903 -2.079 1.667 240 HA ILE 31 HA ILE 31 -8.713 -4.773 1.539 241 HB ILE 31 HB ILE 31 -7.655 -2.924 -0.644 242 HG12 ILE 31 HG12 ILE 31 -10.525 -3.775 -0.077 243 HG13 ILE 31 HG13 ILE 31 -9.809 -2.277 0.504 244 HG21 ILE 31 HG21 ILE 31 -7.303 -5.207 -1.415 245 HG22 ILE 31 HG22 ILE 31 -8.637 -4.481 -2.311 246 HG23 ILE 31 HG23 ILE 31 -8.967 -5.631 -1.014 247 HD11 ILE 31 HD11 ILE 31 -10.206 -3.034 -2.389 248 HD12 ILE 31 HD12 ILE 31 -9.474 -1.537 -1.799 249 HD13 ILE 31 HD13 ILE 31 -11.167 -1.888 -1.451 250 H GLY 32 H GLY 32 -5.586 -3.210 0.986 251 HA2 GLY 32 HA2 GLY 32 -4.119 -5.396 -0.006 252 HA3 GLY 32 HA3 GLY 32 -3.455 -3.965 0.761 253 H LEU 33 H LEU 33 -4.598 -4.174 3.293 254 HA LEU 33 HA LEU 33 -2.861 -5.886 4.681 255 HB2 LEU 33 HB2 LEU 33 -5.484 -4.661 5.646 256 HB3 LEU 33 HB3 LEU 33 -4.273 -5.385 6.694 257 HG LEU 33 HG LEU 33 -3.817 -2.908 4.987 258 HD11 LEU 33 HD11 LEU 33 -4.329 -3.088 7.965 259 HD12 LEU 33 HD12 LEU 33 -5.427 -2.431 6.749 260 HD13 LEU 33 HD13 LEU 33 -3.893 -1.628 7.073 261 HD21 LEU 33 HD21 LEU 33 -1.742 -2.639 6.275 262 HD22 LEU 33 HD22 LEU 33 -1.750 -4.143 5.359 263 HD23 LEU 33 HD23 LEU 33 -2.047 -4.173 7.098 264 H GLU 34 H GLU 34 -6.208 -6.322 3.627 265 HA GLU 34 HA GLU 34 -6.615 -8.846 4.949 266 HB2 GLU 34 HB2 GLU 34 -8.258 -7.605 2.710 267 HB3 GLU 34 HB3 GLU 34 -8.770 -8.888 3.799 268 HG2 GLU 34 HG2 GLU 34 -8.237 -5.998 4.511 269 HG3 GLU 34 HG3 GLU 34 -9.799 -6.807 4.455 270 H LYS 35 H LYS 35 -5.818 -7.808 1.633 271 HA LYS 35 HA LYS 35 -5.926 -10.265 0.286 272 HB2 LYS 35 HB2 LYS 35 -4.192 -7.801 -0.146 273 HB3 LYS 35 HB3 LYS 35 -4.088 -9.191 -1.218 274 HG2 LYS 35 HG2 LYS 35 -6.614 -7.581 -0.736 275 HG3 LYS 35 HG3 LYS 35 -5.500 -7.326 -2.082 276 HD2 LYS 35 HD2 LYS 35 -5.930 -9.663 -2.847 277 HD3 LYS 35 HD3 LYS 35 -7.090 -9.863 -1.530 278 HE2 LYS 35 HE2 LYS 35 -8.460 -8.027 -2.487 279 HE3 LYS 35 HE3 LYS 35 -7.308 -7.874 -3.817 280 HZ1 LYS 35 HZ1 LYS 35 -7.812 -10.185 -4.428 281 HZ2 LYS 35 HZ2 LYS 35 -9.183 -9.198 -4.500 282 HZ3 LYS 35 HZ3 LYS 35 -8.978 -10.258 -3.199 283 H ASN 36 H ASN 36 -3.353 -8.713 2.123 284 HA ASN 36 HA ASN 36 -1.255 -10.532 1.661 285 HB2 ASN 36 HB2 ASN 36 -1.251 -8.113 2.689 286 HB3 ASN 36 HB3 ASN 36 -1.528 -8.916 4.225 287 HD21 ASN 36 HD21 ASN 36 0.709 -7.299 3.386 288 HD22 ASN 36 HD22 ASN 36 2.123 -8.278 3.535 289 H LYS 37 H LYS 37 -3.960 -10.588 3.896 290 HA LYS 37 HA LYS 37 -2.977 -12.723 5.588 291 HB2 LYS 37 HB2 LYS 37 -5.790 -11.573 5.285 292 HB3 LYS 37 HB3 LYS 37 -5.307 -12.737 6.517 293 HG2 LYS 37 HG2 LYS 37 -4.278 -9.902 6.225 294 HG3 LYS 37 HG3 LYS 37 -5.401 -10.487 7.454 295 HD2 LYS 37 HD2 LYS 37 -3.621 -11.985 8.344 296 HD3 LYS 37 HD3 LYS 37 -2.504 -11.371 7.120 297 HE2 LYS 37 HE2 LYS 37 -3.782 -9.763 9.357 298 HE3 LYS 37 HE3 LYS 37 -2.096 -10.272 9.262 299 HZ1 LYS 37 HZ1 LYS 37 -2.367 -7.973 8.605 300 HZ2 LYS 37 HZ2 LYS 37 -3.445 -8.416 7.375 301 HZ3 LYS 37 HZ3 LYS 37 -1.832 -8.899 7.295 302 H MET 38 H MET 38 -4.973 -12.395 2.734 303 HA MET 38 HA MET 38 -5.928 -15.107 2.654 304 HB2 MET 38 HB2 MET 38 -5.909 -12.927 0.522 305 HB3 MET 38 HB3 MET 38 -6.766 -14.457 0.384 306 HG2 MET 38 HG2 MET 38 -8.193 -13.865 2.276 307 HG3 MET 38 HG3 MET 38 -7.306 -12.365 2.507 308 HE1 MET 38 HE1 MET 38 -8.480 -14.055 -0.882 309 HE2 MET 38 HE2 MET 38 -10.015 -13.223 -1.134 310 HE3 MET 38 HE3 MET 38 -9.827 -14.331 0.224 311 H GLY 39 H GLY 39 -2.895 -13.817 2.091 312 HA2 GLY 39 HA2 GLY 39 -0.991 -15.055 1.446 313 HA3 GLY 39 HA3 GLY 39 -1.996 -16.119 0.471 314 H LYS 40 H LYS 40 -3.134 -13.185 -0.174 315 HA LYS 40 HA LYS 40 -1.821 -12.982 -2.758 316 HB2 LYS 40 HB2 LYS 40 -4.168 -11.446 -1.554 317 HB3 LYS 40 HB3 LYS 40 -3.656 -11.371 -3.236 318 HG2 LYS 40 HG2 LYS 40 -4.371 -13.603 -3.662 319 HG3 LYS 40 HG3 LYS 40 -4.565 -13.950 -1.939 320 HD2 LYS 40 HD2 LYS 40 -6.511 -12.553 -1.778 321 HD3 LYS 40 HD3 LYS 40 -6.215 -11.828 -3.361 322 HE2 LYS 40 HE2 LYS 40 -6.937 -14.741 -2.910 323 HE3 LYS 40 HE3 LYS 40 -8.082 -13.479 -3.372 324 HZ1 LYS 40 HZ1 LYS 40 -6.729 -13.097 -5.375 325 HZ2 LYS 40 HZ2 LYS 40 -7.379 -14.652 -5.307 326 HZ3 LYS 40 HZ3 LYS 40 -5.749 -14.407 -4.950 327 H ALA 41 H ALA 41 0.198 -12.330 -1.320 328 HA ALA 41 HA ALA 41 0.279 -9.685 -0.210 329 HB1 ALA 41 HB1 ALA 41 2.674 -10.109 0.107 330 HB2 ALA 41 HB2 ALA 41 2.564 -11.556 -0.899 331 HB3 ALA 41 HB3 ALA 41 1.707 -11.486 0.641 332 H ARG 42 H ARG 42 0.763 -10.957 -3.408 333 HA ARG 42 HA ARG 42 2.265 -8.777 -4.513 334 HB2 ARG 42 HB2 ARG 42 2.221 -11.062 -5.502 335 HB3 ARG 42 HB3 ARG 42 0.535 -10.840 -5.925 336 HG2 ARG 42 HG2 ARG 42 2.613 -8.926 -6.976 337 HG3 ARG 42 HG3 ARG 42 2.412 -10.506 -7.724 338 HD2 ARG 42 HD2 ARG 42 0.252 -8.388 -7.459 339 HD3 ARG 42 HD3 ARG 42 1.163 -8.779 -8.918 340 HE ARG 42 HE ARG 42 -0.064 -11.123 -7.951 341 HH11 ARG 42 HH11 ARG 42 -0.985 -8.112 -9.519 342 HH12 ARG 42 HH12 ARG 42 -2.393 -8.789 -10.260 343 HH21 ARG 42 HH21 ARG 42 -1.911 -11.989 -8.948 344 HH22 ARG 42 HH22 ARG 42 -2.912 -10.972 -9.935 345 H GLU 43 H GLU 43 -1.193 -9.707 -4.597 346 HA GLU 43 HA GLU 43 -2.196 -7.384 -5.844 347 HB2 GLU 43 HB2 GLU 43 -3.556 -9.267 -3.868 348 HB3 GLU 43 HB3 GLU 43 -4.403 -8.001 -4.758 349 HG2 GLU 43 HG2 GLU 43 -3.730 -9.104 -6.888 350 HG3 GLU 43 HG3 GLU 43 -2.984 -10.399 -5.947 351 H ALA 44 H ALA 44 -1.617 -8.224 -2.459 352 HA ALA 44 HA ALA 44 -2.601 -6.005 -1.111 353 HB1 ALA 44 HB1 ALA 44 -1.021 -6.583 0.687 354 HB2 ALA 44 HB2 ALA 44 -0.116 -7.618 -0.419 355 HB3 ALA 44 HB3 ALA 44 -1.772 -8.039 0.029 356 H ALA 45 H ALA 45 0.615 -6.547 -2.516 357 HA ALA 45 HA ALA 45 1.874 -4.165 -1.784 358 HB1 ALA 45 HB1 ALA 45 3.473 -4.685 -3.594 359 HB2 ALA 45 HB2 ALA 45 2.352 -5.883 -4.249 360 HB3 ALA 45 HB3 ALA 45 3.075 -6.125 -2.657 361 H GLU 46 H GLU 46 -0.160 -4.920 -4.597 362 HA GLU 46 HA GLU 46 0.201 -2.458 -5.995 363 HB2 GLU 46 HB2 GLU 46 -2.061 -4.482 -6.167 364 HB3 GLU 46 HB3 GLU 46 -1.837 -3.136 -7.278 365 HG2 GLU 46 HG2 GLU 46 0.418 -4.113 -7.844 366 HG3 GLU 46 HG3 GLU 46 -0.031 -5.525 -6.894 367 H TYR 47 H TYR 47 -2.104 -3.552 -3.576 368 HA TYR 47 HA TYR 47 -3.816 -1.254 -3.734 369 HB2 TYR 47 HB2 TYR 47 -3.602 -3.569 -1.777 370 HB3 TYR 47 HB3 TYR 47 -4.726 -2.239 -1.519 371 HD1 TYR 47 HD1 TYR 47 -6.213 -1.640 -3.622 372 HD2 TYR 47 HD2 TYR 47 -4.442 -5.457 -2.950 373 HE1 TYR 47 HE1 TYR 47 -7.874 -2.660 -5.103 374 HE2 TYR 47 HE2 TYR 47 -6.093 -6.493 -4.442 375 HH TYR 47 HH TYR 47 -8.092 -4.672 -6.503 376 H PHE 48 H PHE 48 -1.021 -2.161 -1.810 377 HA PHE 48 HA PHE 48 -1.097 0.047 0.011 378 HB2 PHE 48 HB2 PHE 48 1.245 -1.698 -0.878 379 HB3 PHE 48 HB3 PHE 48 1.315 -0.534 0.441 380 HD1 PHE 48 HD1 PHE 48 -1.401 -1.108 1.679 381 HD2 PHE 48 HD2 PHE 48 1.708 -3.720 0.327 382 HE1 PHE 48 HE1 PHE 48 -2.133 -2.812 3.275 383 HE2 PHE 48 HE2 PHE 48 0.958 -5.432 1.928 384 HZ PHE 48 HZ PHE 48 -0.962 -4.980 3.403 385 H PHE 49 H PHE 49 0.242 -0.524 -3.197 386 HA PHE 49 HA PHE 49 1.850 1.815 -3.359 387 HB2 PHE 49 HB2 PHE 49 2.155 -0.188 -4.839 388 HB3 PHE 49 HB3 PHE 49 0.647 0.199 -5.657 389 HD1 PHE 49 HD2 PHE 49 3.916 1.745 -4.747 390 HD2 PHE 49 HD1 PHE 49 0.782 1.553 -7.643 391 HE1 PHE 49 HE2 PHE 49 5.179 3.221 -6.212 392 HE2 PHE 49 HE1 PHE 49 2.075 3.048 -9.119 393 HZ PHE 49 HZ PHE 49 4.285 3.887 -8.401 394 H ARG 50 H ARG 50 -1.377 1.033 -4.647 395 HA ARG 50 HA ARG 50 -1.878 3.578 -5.803 396 HB2 ARG 50 HB2 ARG 50 -3.746 1.280 -5.112 397 HB3 ARG 50 HB3 ARG 50 -4.253 2.712 -6.012 398 HG2 ARG 50 HG2 ARG 50 -2.680 2.195 -7.806 399 HG3 ARG 50 HG3 ARG 50 -2.036 0.831 -6.892 400 HD2 ARG 50 HD2 ARG 50 -4.217 -0.313 -7.063 401 HD3 ARG 50 HD3 ARG 50 -4.867 1.061 -7.969 402 HE ARG 50 HE ARG 50 -3.202 0.561 -9.711 403 HH11 ARG 50 HH11 ARG 50 -3.988 -2.040 -7.479 404 HH12 ARG 50 HH12 ARG 50 -3.487 -3.289 -8.572 405 HH21 ARG 50 HH21 ARG 50 -2.519 -1.085 -11.112 406 HH22 ARG 50 HH22 ARG 50 -2.654 -2.743 -10.628 407 H ALA 51 H ALA 51 -2.539 2.199 -2.634 408 HA ALA 51 HA ALA 51 -4.067 4.298 -1.516 409 HB1 ALA 51 HB1 ALA 51 -2.034 2.481 -0.169 410 HB2 ALA 51 HB2 ALA 51 -3.754 2.140 -0.370 411 HB3 ALA 51 HB3 ALA 51 -3.236 3.472 0.666 412 H ALA 52 H ALA 52 -0.567 3.682 -1.633 413 HA ALA 52 HA ALA 52 0.348 5.889 -0.180 414 HB1 ALA 52 HB1 ALA 52 2.554 5.358 -1.138 415 HB2 ALA 52 HB2 ALA 52 1.790 4.309 -2.336 416 HB3 ALA 52 HB3 ALA 52 1.714 3.896 -0.623 417 H ILE 53 H ILE 53 -0.406 5.545 -3.620 418 HA ILE 53 HA ILE 53 0.698 7.894 -4.665 419 HB ILE 53 HB ILE 53 -1.840 6.421 -5.526 420 HG12 ILE 53 HG12 ILE 53 0.980 6.294 -6.685 421 HG13 ILE 53 HG13 ILE 53 0.283 5.085 -5.623 422 HG21 ILE 53 HG21 ILE 53 -1.626 7.571 -7.708 423 HG22 ILE 53 HG22 ILE 53 -0.286 8.525 -7.072 424 HG23 ILE 53 HG23 ILE 53 -1.903 8.718 -6.395 425 HD11 ILE 53 HD11 ILE 53 -0.632 5.758 -8.412 426 HD12 ILE 53 HD12 ILE 53 -1.421 4.602 -7.338 427 HD13 ILE 53 HD13 ILE 53 0.229 4.311 -7.886 428 H VAL 54 H VAL 54 -2.562 7.334 -3.287 429 HA VAL 54 HA VAL 54 -3.588 9.943 -3.597 430 HB VAL 54 HB VAL 54 -4.318 7.813 -1.541 431 HG11 VAL 54 HG11 VAL 54 -5.052 10.028 -0.738 432 HG12 VAL 54 HG12 VAL 54 -6.441 9.043 -1.214 433 HG13 VAL 54 HG13 VAL 54 -5.863 10.326 -2.279 434 HG21 VAL 54 HG21 VAL 54 -4.645 7.085 -3.872 435 HG22 VAL 54 HG22 VAL 54 -5.612 8.524 -4.202 436 HG23 VAL 54 HG23 VAL 54 -6.204 7.305 -3.069 437 H PHE 55 H PHE 55 -1.940 8.393 -0.839 438 HA PHE 55 HA PHE 55 -2.082 10.588 0.953 439 HB2 PHE 55 HB2 PHE 55 -0.142 8.243 0.874 440 HB3 PHE 55 HB3 PHE 55 -0.255 9.388 2.208 441 HD1 PHE 55 HD1 PHE 55 -2.860 9.721 3.025 442 HD2 PHE 55 HD2 PHE 55 -1.207 6.194 1.249 443 HE1 PHE 55 HE1 PHE 55 -4.587 8.347 4.113 444 HE2 PHE 55 HE2 PHE 55 -2.942 4.836 2.338 445 HZ PHE 55 HZ PHE 55 -4.626 5.911 3.773 446 H TYR 56 H TYR 56 0.151 9.789 -1.613 447 HA TYR 56 HA TYR 56 2.234 11.621 -0.866 448 HB2 TYR 56 HB2 TYR 56 2.737 9.652 -2.239 449 HB3 TYR 56 HB3 TYR 56 1.634 10.204 -3.496 450 HD1 TYR 56 HD2 TYR 56 4.786 11.160 -1.703 451 HD2 TYR 56 HD1 TYR 56 2.452 11.579 -5.259 452 HE1 TYR 56 HE2 TYR 56 6.617 12.401 -2.760 453 HE2 TYR 56 HE1 TYR 56 4.270 12.826 -6.309 454 HH TYR 56 HH TYR 56 6.217 14.172 -5.648 455 H LYS 57 H LYS 57 -0.362 11.681 -3.339 456 HA LYS 57 HA LYS 57 -0.106 14.269 -4.324 457 HB2 LYS 57 HB2 LYS 57 -2.396 12.343 -4.062 458 HB3 LYS 57 HB3 LYS 57 -2.837 14.017 -4.359 459 HG2 LYS 57 HG2 LYS 57 -2.779 12.887 -6.452 460 HG3 LYS 57 HG3 LYS 57 -1.407 13.995 -6.389 461 HD2 LYS 57 HD2 LYS 57 0.108 12.109 -5.891 462 HD3 LYS 57 HD3 LYS 57 -1.266 11.000 -5.879 463 HE2 LYS 57 HE2 LYS 57 -0.216 12.553 -8.264 464 HE3 LYS 57 HE3 LYS 57 -0.109 10.812 -8.002 465 HZ1 LYS 57 HZ1 LYS 57 -1.873 11.332 -9.529 466 HZ2 LYS 57 HZ2 LYS 57 -2.601 12.374 -8.418 467 HZ3 LYS 57 HZ3 LYS 57 -2.545 10.713 -8.105 468 H GLU 58 H GLU 58 -1.833 13.120 -1.461 469 HA GLU 58 HA GLU 58 -2.789 15.724 -0.687 470 HB2 GLU 58 HB2 GLU 58 -4.036 13.603 -0.215 471 HB3 GLU 58 HB3 GLU 58 -2.756 13.115 0.896 472 HG2 GLU 58 HG2 GLU 58 -3.263 15.083 2.312 473 HG3 GLU 58 HG3 GLU 58 -4.537 15.543 1.184 474 H HIS 59 H HIS 59 0.131 14.065 -0.386 475 HA HIS 59 HA HIS 59 2.061 14.301 0.682 476 HB2 HIS 59 HB2 HIS 59 1.038 17.116 1.123 477 HB3 HIS 59 HB3 HIS 59 2.665 16.614 1.579 478 HD1 HIS 59 HD1 HIS 59 4.265 15.895 -0.377 479 HD2 HIS 59 HD2 HIS 59 0.703 17.640 -1.582 480 HE1 HIS 59 HE1 HIS 59 4.606 16.526 -2.783 481 HE2 HIS 59 HE2 HIS 59 2.384 17.446 -3.519 482 H ASP 60 H ASP 60 -0.266 13.300 2.093 483 HA ASP 60 HA ASP 60 0.311 13.719 4.899 484 HB2 ASP 60 HB2 ASP 60 -1.993 13.144 4.247 485 HB3 ASP 60 HB3 ASP 60 -1.436 11.650 3.494 486 H THR 61 H THR 61 2.463 13.304 4.998 487 HA THR 61 HA THR 61 3.938 11.191 3.986 488 HB THR 61 HB THR 61 4.485 12.723 6.565 489 HG1 THR 61 HG1 THR 61 4.638 13.454 3.861 490 HG21 THR 61 HG21 THR 61 6.412 11.407 4.616 491 HG22 THR 61 HG22 THR 61 6.025 10.811 6.230 492 HG23 THR 61 HG23 THR 61 6.867 12.351 6.035 493 H ASP 62 H ASP 62 1.869 11.310 6.786 494 HA ASP 62 HA ASP 62 2.877 9.171 8.327 495 HB2 ASP 62 HB2 ASP 62 1.390 10.864 9.296 496 HB3 ASP 62 HB3 ASP 62 0.086 10.398 8.205 497 H GLY 63 H GLY 63 -0.006 9.308 6.204 498 HA2 GLY 63 HA2 GLY 63 -0.554 6.499 6.306 499 HA3 GLY 63 HA3 GLY 63 -1.293 7.677 5.232 500 H LEU 64 H LEU 64 1.168 8.594 4.063 501 HA LEU 64 HA LEU 64 1.674 6.785 1.982 502 HB2 LEU 64 HB2 LEU 64 2.196 9.172 1.785 503 HB3 LEU 64 HB3 LEU 64 3.373 9.052 3.081 504 HG LEU 64 HG LEU 64 4.784 7.558 1.616 505 HD11 LEU 64 HD11 LEU 64 2.830 8.294 -0.567 506 HD12 LEU 64 HD12 LEU 64 3.070 6.688 0.130 507 HD13 LEU 64 HD13 LEU 64 4.370 7.455 -0.778 508 HD21 LEU 64 HD21 LEU 64 4.191 10.278 0.443 509 HD22 LEU 64 HD22 LEU 64 5.650 9.315 0.182 510 HD23 LEU 64 HD23 LEU 64 5.282 9.934 1.790 511 H ARG 65 H ARG 65 3.346 7.378 5.055 512 HA ARG 65 HA ARG 65 5.532 5.602 4.640 513 HB2 ARG 65 HB2 ARG 65 5.463 7.535 6.292 514 HB3 ARG 65 HB3 ARG 65 4.414 6.557 7.315 515 HG2 ARG 65 HG2 ARG 65 6.194 4.892 7.594 516 HG3 ARG 65 HG3 ARG 65 7.232 5.786 6.482 517 HD2 ARG 65 HD2 ARG 65 7.048 7.757 8.116 518 HD3 ARG 65 HD3 ARG 65 6.322 6.607 9.250 519 HE ARG 65 HE ARG 65 8.729 5.532 8.281 520 HH11 ARG 65 HH11 ARG 65 7.650 8.137 10.375 521 HH12 ARG 65 HH12 ARG 65 9.105 8.138 11.316 522 HH21 ARG 65 HH21 ARG 65 10.643 5.561 9.483 523 HH22 ARG 65 HH22 ARG 65 10.812 6.669 10.812 524 H ARG 66 H ARG 66 2.358 5.297 6.198 525 HA ARG 66 HA ARG 66 2.621 2.695 7.236 526 HB2 ARG 66 HB2 ARG 66 0.267 4.417 6.450 527 HB3 ARG 66 HB3 ARG 66 -0.023 2.728 6.838 528 HG2 ARG 66 HG2 ARG 66 1.284 4.743 8.701 529 HG3 ARG 66 HG3 ARG 66 -0.403 4.219 8.779 530 HD2 ARG 66 HD2 ARG 66 0.392 1.865 9.129 531 HD3 ARG 66 HD3 ARG 66 2.051 2.465 9.164 532 HE ARG 66 HE ARG 66 0.655 3.865 11.112 533 HH11 ARG 66 HH11 ARG 66 1.577 0.516 10.479 534 HH12 ARG 66 HH12 ARG 66 1.626 0.083 12.159 535 HH21 ARG 66 HH21 ARG 66 0.733 3.283 13.300 536 HH22 ARG 66 HH22 ARG 66 1.145 1.664 13.765 537 H ALA 67 H ALA 67 1.472 3.843 4.079 538 HA ALA 67 HA ALA 67 0.830 1.254 3.022 539 HB1 ALA 67 HB1 ALA 67 1.190 3.917 1.615 540 HB2 ALA 67 HB2 ALA 67 -0.318 3.304 2.293 541 HB3 ALA 67 HB3 ALA 67 0.432 2.476 0.930 542 H ALA 68 H ALA 68 3.659 3.347 2.969 543 HA ALA 68 HA ALA 68 5.092 2.030 0.864 544 HB1 ALA 68 HB1 ALA 68 6.147 3.843 3.072 545 HB2 ALA 68 HB2 ALA 68 5.570 4.378 1.493 546 HB3 ALA 68 HB3 ALA 68 7.016 3.377 1.602 547 H LYS 69 H LYS 69 5.174 1.932 4.395 548 HA LYS 69 HA LYS 69 7.328 0.137 4.738 549 HB2 LYS 69 HB2 LYS 69 6.437 1.662 6.505 550 HB3 LYS 69 HB3 LYS 69 4.973 0.691 6.593 551 HG2 LYS 69 HG2 LYS 69 6.244 -1.219 7.439 552 HG3 LYS 69 HG3 LYS 69 7.758 -0.330 7.248 553 HD2 LYS 69 HD2 LYS 69 5.485 0.415 9.131 554 HD3 LYS 69 HD3 LYS 69 7.007 -0.339 9.606 555 HE2 LYS 69 HE2 LYS 69 8.223 1.675 8.785 556 HE3 LYS 69 HE3 LYS 69 6.672 2.428 8.400 557 HZ1 LYS 69 HZ1 LYS 69 7.618 1.628 11.106 558 HZ2 LYS 69 HZ2 LYS 69 6.085 2.247 10.770 559 HZ3 LYS 69 HZ3 LYS 69 7.452 3.204 10.521 560 H SER 70 H SER 70 3.813 -0.305 4.544 561 HA SER 70 HA SER 70 3.794 -3.112 4.943 562 HB2 SER 70 HB2 SER 70 1.771 -1.290 3.593 563 HB3 SER 70 HB3 SER 70 1.472 -2.973 4.037 564 HG SER 70 HG SER 70 1.216 -0.831 5.558 565 H LEU 71 H LEU 71 4.214 -1.084 2.078 566 HA LEU 71 HA LEU 71 3.729 -3.047 0.077 567 HB2 LEU 71 HB2 LEU 71 4.058 -0.342 0.050 568 HB3 LEU 71 HB3 LEU 71 5.636 -0.821 -0.532 569 HG LEU 71 HG LEU 71 2.964 -1.476 -1.829 570 HD11 LEU 71 HD11 LEU 71 5.166 0.389 -2.706 571 HD12 LEU 71 HD12 LEU 71 3.575 0.841 -2.087 572 HD13 LEU 71 HD13 LEU 71 3.710 -0.004 -3.624 573 HD21 LEU 71 HD21 LEU 71 5.738 -2.188 -2.826 574 HD22 LEU 71 HD22 LEU 71 4.229 -2.389 -3.724 575 HD23 LEU 71 HD23 LEU 71 4.509 -3.318 -2.252 576 H LYS 72 H LYS 72 6.754 -1.723 1.415 577 HA LYS 72 HA LYS 72 8.509 -3.273 -0.171 578 HB2 LYS 72 HB2 LYS 72 10.300 -2.408 1.327 579 HB3 LYS 72 HB3 LYS 72 9.220 -1.149 0.741 580 HG2 LYS 72 HG2 LYS 72 7.993 -1.271 2.948 581 HG3 LYS 72 HG3 LYS 72 9.251 -2.364 3.526 582 HD2 LYS 72 HD2 LYS 72 9.726 0.479 2.545 583 HD3 LYS 72 HD3 LYS 72 9.583 0.007 4.238 584 HE2 LYS 72 HE2 LYS 72 11.724 -0.996 2.332 585 HE3 LYS 72 HE3 LYS 72 11.934 0.282 3.531 586 HZ1 LYS 72 HZ1 LYS 72 11.387 -1.334 5.265 587 HZ2 LYS 72 HZ2 LYS 72 12.757 -1.786 4.385 588 HZ3 LYS 72 HZ3 LYS 72 11.281 -2.560 4.102 589 H GLU 73 H GLU 73 7.056 -3.879 2.972 590 HA GLU 73 HA GLU 73 8.714 -6.223 3.482 591 HB2 GLU 73 HB2 GLU 73 6.367 -5.149 5.097 592 HB3 GLU 73 HB3 GLU 73 7.518 -6.375 5.623 593 HG2 GLU 73 HG2 GLU 73 8.119 -3.455 5.078 594 HG3 GLU 73 HG3 GLU 73 8.012 -4.222 6.656 595 H ALA 74 H ALA 74 5.727 -5.509 1.910 596 HA ALA 74 HA ALA 74 4.492 -8.097 2.165 597 HB1 ALA 74 HB1 ALA 74 2.989 -7.355 0.357 598 HB2 ALA 74 HB2 ALA 74 4.010 -5.941 0.067 599 HB3 ALA 74 HB3 ALA 74 3.146 -6.110 1.596 600 H ILE 75 H ILE 75 7.007 -6.759 0.185 601 HA ILE 75 HA ILE 75 6.789 -8.292 -2.150 602 HB ILE 75 HB ILE 75 9.382 -7.205 -0.982 603 HG12 ILE 75 HG12 ILE 75 7.783 -5.369 -1.140 604 HG13 ILE 75 HG13 ILE 75 8.959 -5.192 -2.435 605 HG21 ILE 75 HG21 ILE 75 9.765 -8.810 -2.805 606 HG22 ILE 75 HG22 ILE 75 10.187 -7.180 -3.323 607 HG23 ILE 75 HG23 ILE 75 8.671 -7.908 -3.858 608 HD11 ILE 75 HD11 ILE 75 6.133 -6.216 -2.695 609 HD12 ILE 75 HD12 ILE 75 7.305 -6.127 -4.015 610 HD13 ILE 75 HD13 ILE 75 6.759 -4.653 -3.219 611 H THR 76 H THR 76 8.529 -8.936 0.859 612 HA THR 76 HA THR 76 9.831 -11.314 -0.037 613 HB THR 76 HB THR 76 10.296 -11.633 2.442 614 HG1 THR 76 HG1 THR 76 9.701 -9.721 3.727 615 HG21 THR 76 HG21 THR 76 10.931 -8.881 1.319 616 HG22 THR 76 HG22 THR 76 11.869 -10.350 1.029 617 HG23 THR 76 HG23 THR 76 11.775 -9.668 2.656 618 H ALA 77 H ALA 77 6.646 -10.657 1.137 619 HA ALA 77 HA ALA 77 6.025 -13.433 1.836 620 HB1 ALA 77 HB1 ALA 77 3.814 -12.543 2.465 621 HB2 ALA 77 HB2 ALA 77 4.264 -10.953 1.837 622 HB3 ALA 77 HB3 ALA 77 5.109 -11.625 3.232 623 H ILE 78 H ILE 78 5.988 -11.440 -0.957 624 HA ILE 78 HA ILE 78 3.737 -12.396 -2.374 625 HB ILE 78 HB ILE 78 6.386 -11.297 -3.424 626 HG12 ILE 78 HG12 ILE 78 3.655 -9.994 -3.091 627 HG13 ILE 78 HG13 ILE 78 5.091 -9.661 -2.137 628 HG21 ILE 78 HG21 ILE 78 5.305 -10.962 -5.620 629 HG22 ILE 78 HG22 ILE 78 3.860 -11.792 -5.039 630 HG23 ILE 78 HG23 ILE 78 5.380 -12.673 -5.196 631 HD11 ILE 78 HD11 ILE 78 4.694 -7.898 -3.721 632 HD12 ILE 78 HD12 ILE 78 4.713 -9.038 -5.064 633 HD13 ILE 78 HD13 ILE 78 6.187 -8.741 -4.135 634 HA PRO 79 HA PRO 79 4.936 -16.697 -3.394 635 HB2 PRO 79 HB2 PRO 79 3.188 -16.036 -5.775 636 HB3 PRO 79 HB3 PRO 79 3.153 -17.462 -4.714 637 HG2 PRO 79 HG2 PRO 79 1.309 -15.594 -4.437 638 HG3 PRO 79 HG3 PRO 79 2.044 -16.337 -2.998 639 HD2 PRO 79 HD2 PRO 79 2.579 -13.638 -4.206 640 HD3 PRO 79 HD3 PRO 79 2.482 -14.109 -2.493 641 H GLU 80 H GLU 80 6.098 -17.801 -5.112 642 HA GLU 80 HA GLU 80 8.093 -16.168 -6.399 643 HB2 GLU 80 HB2 GLU 80 9.016 -18.395 -7.145 644 HB3 GLU 80 HB3 GLU 80 8.790 -18.259 -5.407 645 HG2 GLU 80 HG2 GLU 80 6.725 -19.589 -5.552 646 HG3 GLU 80 HG3 GLU 80 6.908 -19.704 -7.300 647 H GLU 81 H GLU 81 6.334 -15.004 -7.699 648 HA GLU 81 HA GLU 81 5.725 -16.381 -10.252 649 HB2 GLU 81 HB2 GLU 81 3.771 -14.634 -8.680 650 HB3 GLU 81 HB3 GLU 81 3.457 -15.403 -10.235 651 HG2 GLU 81 HG2 GLU 81 3.741 -17.631 -9.147 652 HG3 GLU 81 HG3 GLU 81 3.942 -16.815 -7.599 653 H GLU 82 H GLU 82 4.616 -14.542 -11.699 654 HA GLU 82 HA GLU 82 6.640 -12.888 -12.652 655 HB2 GLU 82 HB2 GLU 82 4.738 -13.720 -13.993 656 HB3 GLU 82 HB3 GLU 82 3.622 -12.730 -13.062 657 HG2 GLU 82 HG2 GLU 82 4.018 -11.707 -15.226 658 HG3 GLU 82 HG3 GLU 82 4.705 -10.688 -13.960 659 H GLY 83 H GLY 83 4.135 -12.265 -10.314 660 HA2 GLY 83 HA2 GLY 83 4.102 -9.447 -10.343 661 HA3 GLY 83 HA3 GLY 83 3.455 -10.483 -9.095 662 H ARG 84 H ARG 84 6.368 -11.621 -8.949 663 HA ARG 84 HA ARG 84 7.298 -10.199 -6.728 664 HB2 ARG 84 HB2 ARG 84 8.479 -12.234 -8.601 665 HB3 ARG 84 HB3 ARG 84 9.625 -11.336 -7.615 666 HG2 ARG 84 HG2 ARG 84 7.286 -12.895 -6.470 667 HG3 ARG 84 HG3 ARG 84 8.916 -13.548 -6.662 668 HD2 ARG 84 HD2 ARG 84 9.787 -11.706 -5.215 669 HD3 ARG 84 HD3 ARG 84 8.126 -11.158 -4.959 670 HE ARG 84 HE ARG 84 7.920 -13.674 -4.135 671 HH11 ARG 84 HH11 ARG 84 10.459 -11.343 -3.417 672 HH12 ARG 84 HH12 ARG 84 10.801 -12.015 -1.854 673 HH21 ARG 84 HH21 ARG 84 8.333 -14.490 -2.055 674 HH22 ARG 84 HH22 ARG 84 9.596 -13.797 -1.084 675 H LYS 85 H LYS 85 8.328 -9.985 -10.139 676 HA LYS 85 HA LYS 85 10.499 -8.212 -9.708 677 HB2 LYS 85 HB2 LYS 85 10.107 -9.851 -11.655 678 HB3 LYS 85 HB3 LYS 85 9.033 -8.651 -12.344 679 HG2 LYS 85 HG2 LYS 85 11.939 -8.057 -11.715 680 HG3 LYS 85 HG3 LYS 85 11.441 -8.777 -13.243 681 HD2 LYS 85 HD2 LYS 85 10.517 -6.073 -12.192 682 HD3 LYS 85 HD3 LYS 85 11.777 -6.322 -13.400 683 HE2 LYS 85 HE2 LYS 85 10.110 -7.372 -14.904 684 HE3 LYS 85 HE3 LYS 85 8.850 -7.079 -13.703 685 HZ1 LYS 85 HZ1 LYS 85 9.180 -4.728 -13.940 686 HZ2 LYS 85 HZ2 LYS 85 8.910 -5.393 -15.467 687 HZ3 LYS 85 HZ3 LYS 85 10.475 -4.962 -14.998 688 H GLU 86 H GLU 86 7.260 -7.665 -11.102 689 HA GLU 86 HA GLU 86 7.574 -4.894 -11.577 690 HB2 GLU 86 HB2 GLU 86 5.065 -4.933 -11.919 691 HB3 GLU 86 HB3 GLU 86 5.965 -6.099 -12.881 692 HG2 GLU 86 HG2 GLU 86 5.350 -7.890 -11.276 693 HG3 GLU 86 HG3 GLU 86 4.431 -6.719 -10.337 694 H ALA 87 H ALA 87 6.088 -6.667 -8.838 695 HA ALA 87 HA ALA 87 5.050 -4.340 -7.539 696 HB1 ALA 87 HB1 ALA 87 4.096 -6.565 -7.137 697 HB2 ALA 87 HB2 ALA 87 4.593 -5.796 -5.630 698 HB3 ALA 87 HB3 ALA 87 5.585 -7.073 -6.342 699 H LYS 88 H LYS 88 8.095 -6.072 -7.363 700 HA LYS 88 HA LYS 88 9.247 -4.980 -5.060 701 HB2 LYS 88 HB2 LYS 88 10.257 -6.854 -6.326 702 HB3 LYS 88 HB3 LYS 88 10.579 -5.787 -7.683 703 HG2 LYS 88 HG2 LYS 88 12.619 -6.270 -6.388 704 HG3 LYS 88 HG3 LYS 88 12.227 -4.548 -6.367 705 HD2 LYS 88 HD2 LYS 88 11.274 -4.785 -4.103 706 HD3 LYS 88 HD3 LYS 88 11.615 -6.517 -4.124 707 HE2 LYS 88 HE2 LYS 88 14.010 -6.080 -4.178 708 HE3 LYS 88 HE3 LYS 88 13.719 -4.342 -4.318 709 HZ1 LYS 88 HZ1 LYS 88 13.017 -6.056 -1.992 710 HZ2 LYS 88 HZ2 LYS 88 12.630 -4.420 -2.135 711 HZ3 LYS 88 HZ3 LYS 88 14.249 -4.898 -2.052 712 H GLU 89 H GLU 89 9.081 -3.772 -8.373 713 HA GLU 89 HA GLU 89 10.717 -1.469 -8.025 714 HB2 GLU 89 HB2 GLU 89 8.628 -2.073 -10.144 715 HB3 GLU 89 HB3 GLU 89 9.857 -0.812 -10.253 716 HG2 GLU 89 HG2 GLU 89 11.627 -2.552 -10.163 717 HG3 GLU 89 HG3 GLU 89 10.383 -3.798 -10.103 718 H MET 90 H MET 90 7.285 -2.089 -7.599 719 HA MET 90 HA MET 90 6.412 0.620 -7.344 720 HB2 MET 90 HB2 MET 90 5.188 -1.898 -6.168 721 HB3 MET 90 HB3 MET 90 4.387 -0.340 -6.286 722 HG2 MET 90 HG2 MET 90 4.683 -0.539 -8.807 723 HG3 MET 90 HG3 MET 90 5.125 -2.224 -8.519 724 HE1 MET 90 HE1 MET 90 3.165 -2.638 -5.860 725 HE2 MET 90 HE2 MET 90 3.434 -3.887 -7.075 726 HE3 MET 90 HE3 MET 90 1.798 -3.417 -6.644 727 H ALA 91 H ALA 91 7.543 -1.836 -5.063 728 HA ALA 91 HA ALA 91 7.187 -0.464 -2.638 729 HB1 ALA 91 HB1 ALA 91 7.707 -2.860 -2.733 730 HB2 ALA 91 HB2 ALA 91 8.885 -2.014 -1.728 731 HB3 ALA 91 HB3 ALA 91 9.316 -2.505 -3.369 732 H LYS 92 H LYS 92 9.810 -0.443 -5.016 733 HA LYS 92 HA LYS 92 11.669 1.184 -3.673 734 HB2 LYS 92 HB2 LYS 92 11.179 1.038 -6.681 735 HB3 LYS 92 HB3 LYS 92 12.632 1.654 -5.896 736 HG2 LYS 92 HG2 LYS 92 13.058 -0.607 -4.966 737 HG3 LYS 92 HG3 LYS 92 11.632 -1.201 -5.815 738 HD2 LYS 92 HD2 LYS 92 12.722 -0.488 -7.981 739 HD3 LYS 92 HD3 LYS 92 14.178 -0.097 -7.059 740 HE2 LYS 92 HE2 LYS 92 14.281 -2.471 -6.302 741 HE3 LYS 92 HE3 LYS 92 12.882 -2.830 -7.319 742 HZ1 LYS 92 HZ1 LYS 92 14.195 -2.119 -9.249 743 HZ2 LYS 92 HZ2 LYS 92 14.901 -3.423 -8.454 744 HZ3 LYS 92 HZ3 LYS 92 15.539 -1.871 -8.255 745 H LYS 93 H LYS 93 8.990 2.002 -5.881 746 HA LYS 93 HA LYS 93 9.362 4.796 -5.981 747 HB2 LYS 93 HB2 LYS 93 7.112 2.925 -6.631 748 HB3 LYS 93 HB3 LYS 93 6.669 4.610 -6.417 749 HG2 LYS 93 HG2 LYS 93 8.815 3.675 -8.336 750 HG3 LYS 93 HG3 LYS 93 7.125 3.930 -8.790 751 HD2 LYS 93 HD2 LYS 93 7.259 6.289 -8.299 752 HD3 LYS 93 HD3 LYS 93 8.827 6.101 -7.518 753 HE2 LYS 93 HE2 LYS 93 8.261 5.739 -10.481 754 HE3 LYS 93 HE3 LYS 93 9.083 7.110 -9.732 755 HZ1 LYS 93 HZ1 LYS 93 10.843 5.646 -9.006 756 HZ2 LYS 93 HZ2 LYS 93 10.651 5.519 -10.684 757 HZ3 LYS 93 HZ3 LYS 93 10.056 4.306 -9.667 758 H ALA 94 H ALA 94 7.484 2.781 -3.779 759 HA ALA 94 HA ALA 94 6.137 4.773 -2.320 760 HB1 ALA 94 HB1 ALA 94 7.064 2.039 -1.382 761 HB2 ALA 94 HB2 ALA 94 5.565 2.368 -2.250 762 HB3 ALA 94 HB3 ALA 94 5.806 3.027 -0.634 763 H GLU 95 H GLU 95 9.327 3.278 -1.904 764 HA GLU 95 HA GLU 95 10.070 4.598 0.513 765 HB2 GLU 95 HB2 GLU 95 11.798 3.338 -1.651 766 HB3 GLU 95 HB3 GLU 95 12.388 3.841 -0.068 767 HG2 GLU 95 HG2 GLU 95 10.957 2.179 1.020 768 HG3 GLU 95 HG3 GLU 95 10.274 1.727 -0.544 769 H GLU 96 H GLU 96 10.546 5.320 -2.932 770 HA GLU 96 HA GLU 96 12.326 7.509 -2.699 771 HB2 GLU 96 HB2 GLU 96 10.327 6.847 -4.910 772 HB3 GLU 96 HB3 GLU 96 11.544 8.114 -5.030 773 HG2 GLU 96 HG2 GLU 96 13.330 6.437 -4.792 774 HG3 GLU 96 HG3 GLU 96 12.114 5.162 -4.679 775 H TRP 97 H TRP 97 8.811 7.299 -2.802 776 HA TRP 97 HA TRP 97 8.212 10.065 -2.704 777 HB2 TRP 97 HB2 TRP 97 6.594 7.643 -1.805 778 HB3 TRP 97 HB3 TRP 97 5.947 9.278 -1.905 779 HD1 TRP 97 HD1 TRP 97 7.678 9.625 -4.859 780 HE1 TRP 97 HE1 TRP 97 6.449 8.710 -6.920 781 HE3 TRP 97 HE3 TRP 97 4.322 6.585 -2.514 782 HZ2 TRP 97 HZ2 TRP 97 4.337 6.950 -7.478 783 HZ3 TRP 97 HZ3 TRP 97 2.721 5.322 -3.885 784 HH2 TRP 97 HH2 TRP 97 2.737 5.503 -6.317 785 H LEU 98 H LEU 98 8.652 7.577 -0.214 786 HA LEU 98 HA LEU 98 7.917 9.111 2.033 787 HB2 LEU 98 HB2 LEU 98 8.096 6.621 1.998 788 HB3 LEU 98 HB3 LEU 98 9.842 6.758 1.874 789 HG LEU 98 HG LEU 98 9.961 7.754 4.129 790 HD11 LEU 98 HD11 LEU 98 7.853 8.968 4.159 791 HD12 LEU 98 HD12 LEU 98 7.984 7.920 5.566 792 HD13 LEU 98 HD13 LEU 98 6.949 7.451 4.214 793 HD21 LEU 98 HD21 LEU 98 10.092 5.309 3.940 794 HD22 LEU 98 HD22 LEU 98 8.338 5.187 4.114 795 HD23 LEU 98 HD23 LEU 98 9.320 5.791 5.452 796 H GLN 99 H GLN 99 11.037 8.672 0.381 797 HA GLN 99 HA GLN 99 12.589 10.222 2.236 798 HB2 GLN 99 HB2 GLN 99 13.207 9.449 -0.649 799 HB3 GLN 99 HB3 GLN 99 14.361 10.168 0.473 800 HG2 GLN 99 HG2 GLN 99 14.140 8.173 1.943 801 HG3 GLN 99 HG3 GLN 99 13.043 7.451 0.766 802 HE21 GLN 99 HE21 GLN 99 15.591 6.413 1.690 803 HE22 GLN 99 HE22 GLN 99 16.596 6.269 0.294 804 H ALA 100 H ALA 100 10.724 10.928 -0.655 805 HA ALA 100 HA ALA 100 11.735 13.538 -1.193 806 HB1 ALA 100 HB1 ALA 100 9.767 13.781 -2.652 807 HB2 ALA 100 HB2 ALA 100 9.046 12.331 -1.947 808 HB3 ALA 100 HB3 ALA 100 10.535 12.210 -2.888 809 H GLU 101 H GLU 101 8.973 12.330 0.674 810 HA GLU 101 HA GLU 101 7.926 14.863 1.460 811 HB2 GLU 101 HB2 GLU 101 7.620 12.111 2.732 812 HB3 GLU 101 HB3 GLU 101 6.660 13.524 3.157 813 HG2 GLU 101 HG2 GLU 101 6.695 12.168 0.452 814 HG3 GLU 101 HG3 GLU 101 5.461 11.969 1.691 815 H GLN 102 H GLN 102 9.906 12.412 3.135 816 HA GLN 102 HA GLN 102 10.325 14.062 5.480 817 HB2 GLN 102 HB2 GLN 102 11.506 11.348 4.732 818 HB3 GLN 102 HB3 GLN 102 11.674 12.128 6.303 819 HG2 GLN 102 HG2 GLN 102 9.187 12.031 6.569 820 HG3 GLN 102 HG3 GLN 102 9.091 11.144 5.050 821 HE21 GLN 102 HE21 GLN 102 8.253 10.284 7.723 822 HE22 GLN 102 HE22 GLN 102 9.130 8.831 8.045 823 H ASN 103 H ASN 103 11.600 14.460 2.540 824 HA ASN 103 HA ASN 103 14.395 14.671 2.952 825 HB2 ASN 103 HB2 ASN 103 13.290 14.710 0.700 826 HB3 ASN 103 HB3 ASN 103 12.655 16.313 1.051 827 HD21 ASN 103 HD21 ASN 103 15.557 14.456 0.406 828 HD22 ASN 103 HD22 ASN 103 16.563 15.795 -0.019 829 H ASN 104 H ASN 104 11.768 17.070 3.198 830 HA ASN 104 HA ASN 104 13.481 18.945 4.674 831 HB2 ASN 104 HB2 ASN 104 11.878 19.798 2.893 832 HB3 ASN 104 HB3 ASN 104 10.538 19.265 3.903 833 HD21 ASN 104 HD21 ASN 104 10.273 20.326 5.989 834 HD22 ASN 104 HD22 ASN 104 10.839 21.941 6.216 Start of MODEL 5 1 H1 ALA 1 H1 ALA 1 -11.325 -14.492 -0.911 2 H2 ALA 1 H2 ALA 1 -10.668 -16.014 -0.576 3 H3 ALA 1 H3 ALA 1 -10.056 -14.646 0.201 4 HA ALA 1 HA ALA 1 -12.783 -15.739 0.508 5 HB1 ALA 1 HB1 ALA 1 -11.065 -17.174 1.542 6 HB2 ALA 1 HB2 ALA 1 -12.056 -16.393 2.774 7 HB3 ALA 1 HB3 ALA 1 -10.430 -15.793 2.438 8 H ASP 2 H ASP 2 -13.660 -13.726 0.072 9 HA ASP 2 HA ASP 2 -12.920 -11.449 1.822 10 HB2 ASP 2 HB2 ASP 2 -13.264 -10.008 -0.297 11 HB3 ASP 2 HB3 ASP 2 -11.777 -10.946 -0.193 12 H GLU 3 H GLU 3 -14.682 -11.391 3.052 13 HA GLU 3 HA GLU 3 -17.332 -10.918 1.797 14 HB2 GLU 3 HB2 GLU 3 -17.409 -12.853 3.298 15 HB3 GLU 3 HB3 GLU 3 -16.605 -11.962 4.580 16 HG2 GLU 3 HG2 GLU 3 -19.008 -12.243 5.043 17 HG3 GLU 3 HG3 GLU 3 -18.585 -10.540 4.879 18 H ASN 4 H ASN 4 -15.563 -10.063 4.774 19 HA ASN 4 HA ASN 4 -16.805 -7.506 5.097 20 HB2 ASN 4 HB2 ASN 4 -15.951 -9.023 6.951 21 HB3 ASN 4 HB3 ASN 4 -14.312 -8.616 6.461 22 HD21 ASN 4 HD21 ASN 4 -17.290 -7.335 7.832 23 HD22 ASN 4 HD22 ASN 4 -16.557 -5.962 8.586 24 H ILE 5 H ILE 5 -13.975 -8.690 3.484 25 HA ILE 5 HA ILE 5 -12.424 -6.347 3.178 26 HB ILE 5 HB ILE 5 -12.595 -8.711 1.252 27 HG12 ILE 5 HG12 ILE 5 -10.834 -8.334 3.718 28 HG13 ILE 5 HG13 ILE 5 -12.130 -9.512 3.533 29 HG21 ILE 5 HG21 ILE 5 -10.295 -8.078 0.563 30 HG22 ILE 5 HG22 ILE 5 -10.348 -6.691 1.652 31 HG23 ILE 5 HG23 ILE 5 -11.437 -6.767 0.266 32 HD11 ILE 5 HD11 ILE 5 -10.841 -10.643 1.788 33 HD12 ILE 5 HD12 ILE 5 -9.969 -10.553 3.318 34 HD13 ILE 5 HD13 ILE 5 -9.536 -9.467 1.996 35 H ALA 6 H ALA 6 -15.083 -7.748 1.313 36 HA ALA 6 HA ALA 6 -14.987 -6.170 -0.998 37 HB1 ALA 6 HB1 ALA 6 -17.285 -6.942 -1.411 38 HB2 ALA 6 HB2 ALA 6 -17.407 -7.504 0.257 39 HB3 ALA 6 HB3 ALA 6 -16.263 -8.268 -0.847 40 H LYS 7 H LYS 7 -16.273 -5.456 2.186 41 HA LYS 7 HA LYS 7 -17.877 -3.201 1.507 42 HB2 LYS 7 HB2 LYS 7 -18.035 -4.453 3.695 43 HB3 LYS 7 HB3 LYS 7 -16.475 -3.777 4.158 44 HG2 LYS 7 HG2 LYS 7 -17.556 -1.458 3.838 45 HG3 LYS 7 HG3 LYS 7 -19.098 -2.309 3.741 46 HD2 LYS 7 HD2 LYS 7 -18.790 -1.491 6.003 47 HD3 LYS 7 HD3 LYS 7 -18.677 -3.252 6.024 48 HE2 LYS 7 HE2 LYS 7 -16.251 -3.143 6.199 49 HE3 LYS 7 HE3 LYS 7 -16.270 -1.398 5.954 50 HZ1 LYS 7 HZ1 LYS 7 -17.453 -2.809 8.279 51 HZ2 LYS 7 HZ2 LYS 7 -17.424 -1.139 8.052 52 HZ3 LYS 7 HZ3 LYS 7 -15.979 -1.991 8.282 53 H PHE 8 H PHE 8 -14.482 -3.602 2.522 54 HA PHE 8 HA PHE 8 -13.764 -0.853 2.702 55 HB2 PHE 8 HB2 PHE 8 -11.887 -3.179 2.071 56 HB3 PHE 8 HB3 PHE 8 -11.434 -1.623 2.759 57 HD1 PHE 8 HD1 PHE 8 -13.475 -1.295 4.913 58 HD2 PHE 8 HD2 PHE 8 -11.263 -4.748 3.709 59 HE1 PHE 8 HE1 PHE 8 -13.661 -2.218 7.181 60 HE2 PHE 8 HE2 PHE 8 -11.462 -5.659 5.977 61 HZ PHE 8 HZ PHE 8 -12.659 -4.399 7.715 62 H GLU 9 H GLU 9 -13.645 -3.245 0.151 63 HA GLU 9 HA GLU 9 -12.329 -1.737 -1.865 64 HB2 GLU 9 HB2 GLU 9 -14.182 -4.152 -2.083 65 HB3 GLU 9 HB3 GLU 9 -13.154 -3.541 -3.382 66 HG2 GLU 9 HG2 GLU 9 -11.146 -3.993 -2.019 67 HG3 GLU 9 HG3 GLU 9 -12.159 -4.586 -0.711 68 H LYS 10 H LYS 10 -15.719 -2.229 -1.030 69 HA LYS 10 HA LYS 10 -16.843 -0.785 -3.217 70 HB2 LYS 10 HB2 LYS 10 -18.079 -2.506 -1.938 71 HB3 LYS 10 HB3 LYS 10 -18.001 -1.507 -0.491 72 HG2 LYS 10 HG2 LYS 10 -19.394 0.211 -1.632 73 HG3 LYS 10 HG3 LYS 10 -19.499 -0.843 -3.048 74 HD2 LYS 10 HD2 LYS 10 -20.632 -2.570 -1.675 75 HD3 LYS 10 HD3 LYS 10 -20.516 -1.522 -0.258 76 HE2 LYS 10 HE2 LYS 10 -21.963 0.130 -1.346 77 HE3 LYS 10 HE3 LYS 10 -22.048 -0.875 -2.795 78 HZ1 LYS 10 HZ1 LYS 10 -23.104 -2.601 -1.480 79 HZ2 LYS 10 HZ2 LYS 10 -23.992 -1.169 -1.420 80 HZ3 LYS 10 HZ3 LYS 10 -23.038 -1.624 -0.102 81 H ALA 11 H ALA 11 -15.633 0.115 -0.044 82 HA ALA 11 HA ALA 11 -17.019 2.549 0.366 83 HB1 ALA 11 HB1 ALA 11 -15.357 2.980 2.128 84 HB2 ALA 11 HB2 ALA 11 -14.345 1.673 1.501 85 HB3 ALA 11 HB3 ALA 11 -15.931 1.312 2.183 86 H TYR 12 H TYR 12 -14.242 1.820 -1.589 87 HA TYR 12 HA TYR 12 -13.067 4.426 -1.589 88 HB2 TYR 12 HB2 TYR 12 -11.963 2.109 -2.192 89 HB3 TYR 12 HB3 TYR 12 -12.629 2.377 -3.799 90 HD1 TYR 12 HD2 TYR 12 -11.870 4.446 -5.115 91 HD2 TYR 12 HD1 TYR 12 -10.008 3.272 -1.463 92 HE1 TYR 12 HE2 TYR 12 -9.948 5.890 -5.622 93 HE2 TYR 12 HE1 TYR 12 -8.110 4.700 -1.970 94 HH TYR 12 HH TYR 12 -8.061 6.837 -4.723 95 H LYS 13 H LYS 13 -13.654 6.150 -2.746 96 HA LYS 13 HA LYS 13 -15.616 5.968 -4.967 97 HB2 LYS 13 HB2 LYS 13 -15.119 8.198 -2.939 98 HB3 LYS 13 HB3 LYS 13 -16.233 8.328 -4.297 99 HG2 LYS 13 HG2 LYS 13 -17.590 6.484 -3.357 100 HG3 LYS 13 HG3 LYS 13 -16.477 6.365 -1.989 101 HD2 LYS 13 HD2 LYS 13 -17.061 8.642 -1.275 102 HD3 LYS 13 HD3 LYS 13 -18.098 8.853 -2.691 103 HE2 LYS 13 HE2 LYS 13 -19.438 8.370 -0.694 104 HE3 LYS 13 HE3 LYS 13 -19.584 7.056 -1.861 105 HZ1 LYS 13 HZ1 LYS 13 -17.853 7.059 0.554 106 HZ2 LYS 13 HZ2 LYS 13 -17.967 5.794 -0.564 107 HZ3 LYS 13 HZ3 LYS 13 -19.306 6.220 0.372 108 H LYS 14 H LYS 14 -15.190 8.791 -5.707 109 HA LYS 14 HA LYS 14 -12.972 8.411 -7.511 110 HB2 LYS 14 HB2 LYS 14 -13.742 10.579 -8.503 111 HB3 LYS 14 HB3 LYS 14 -14.988 9.339 -8.415 112 HG2 LYS 14 HG2 LYS 14 -15.874 10.464 -6.333 113 HG3 LYS 14 HG3 LYS 14 -14.716 11.769 -6.608 114 HD2 LYS 14 HD2 LYS 14 -16.855 12.465 -7.492 115 HD3 LYS 14 HD3 LYS 14 -15.780 12.157 -8.859 116 HE2 LYS 14 HE2 LYS 14 -16.849 9.893 -9.101 117 HE3 LYS 14 HE3 LYS 14 -17.977 10.337 -7.818 118 HZ1 LYS 14 HZ1 LYS 14 -17.676 11.660 -10.455 119 HZ2 LYS 14 HZ2 LYS 14 -18.675 12.228 -9.215 120 HZ3 LYS 14 HZ3 LYS 14 -18.989 10.726 -9.930 121 H ALA 15 H ALA 15 -11.220 8.333 -6.059 122 HA ALA 15 HA ALA 15 -10.376 10.774 -4.647 123 HB1 ALA 15 HB1 ALA 15 -10.128 8.607 -3.514 124 HB2 ALA 15 HB2 ALA 15 -8.560 9.376 -3.757 125 HB3 ALA 15 HB3 ALA 15 -9.065 8.044 -4.801 126 H GLU 16 H GLU 16 -10.092 9.544 -7.715 127 HA GLU 16 HA GLU 16 -7.435 10.784 -8.240 128 HB2 GLU 16 HB2 GLU 16 -7.114 9.183 -10.042 129 HB3 GLU 16 HB3 GLU 16 -7.453 8.301 -8.566 130 HG2 GLU 16 HG2 GLU 16 -9.387 8.756 -10.872 131 HG3 GLU 16 HG3 GLU 16 -8.522 7.262 -10.524 132 H GLU 17 H GLU 17 -10.798 10.423 -9.275 133 HA GLU 17 HA GLU 17 -10.616 12.118 -11.596 134 HB2 GLU 17 HB2 GLU 17 -12.363 10.364 -11.332 135 HB3 GLU 17 HB3 GLU 17 -13.059 11.252 -9.979 136 HG2 GLU 17 HG2 GLU 17 -13.586 13.144 -11.513 137 HG3 GLU 17 HG3 GLU 17 -12.907 12.227 -12.857 138 H LEU 18 H LEU 18 -11.463 12.562 -8.205 139 HA LEU 18 HA LEU 18 -11.336 15.513 -8.510 140 HB2 LEU 18 HB2 LEU 18 -13.105 13.873 -6.635 141 HB3 LEU 18 HB3 LEU 18 -12.848 15.600 -6.461 142 HG LEU 18 HG LEU 18 -14.220 14.247 -8.820 143 HD11 LEU 18 HD11 LEU 18 -15.589 14.256 -6.783 144 HD12 LEU 18 HD12 LEU 18 -16.254 15.326 -8.013 145 HD13 LEU 18 HD13 LEU 18 -15.383 16.004 -6.635 146 HD21 LEU 18 HD21 LEU 18 -13.744 17.203 -8.305 147 HD22 LEU 18 HD22 LEU 18 -14.733 16.526 -9.605 148 HD23 LEU 18 HD23 LEU 18 -12.999 16.224 -9.574 149 H ASN 19 H ASN 19 -10.126 16.616 -6.980 150 HA ASN 19 HA ASN 19 -8.185 15.145 -5.422 151 HB2 ASN 19 HB2 ASN 19 -8.712 18.148 -5.574 152 HB3 ASN 19 HB3 ASN 19 -7.366 17.408 -4.712 153 HD21 ASN 19 HD21 ASN 19 -7.339 19.297 -6.951 154 HD22 ASN 19 HD22 ASN 19 -6.408 18.535 -8.190 155 H GLN 20 H GLN 20 -9.485 14.002 -4.024 156 HA GLN 20 HA GLN 20 -10.058 15.279 -1.501 157 HB2 GLN 20 HB2 GLN 20 -12.429 14.526 -1.344 158 HB3 GLN 20 HB3 GLN 20 -12.198 15.738 -2.601 159 HG2 GLN 20 HG2 GLN 20 -12.290 14.000 -4.336 160 HG3 GLN 20 HG3 GLN 20 -12.450 12.753 -3.096 161 HE21 GLN 20 HE21 GLN 20 -14.061 15.471 -4.643 162 HE22 GLN 20 HE22 GLN 20 -15.658 15.051 -4.136 163 H GLY 21 H GLY 21 -8.253 13.325 -2.584 164 HA2 GLY 21 HA2 GLY 21 -9.107 10.647 -2.015 165 HA3 GLY 21 HA3 GLY 21 -7.485 11.178 -2.414 166 H GLU 22 H GLU 22 -8.213 13.119 0.103 167 HA GLU 22 HA GLU 22 -6.919 11.658 2.176 168 HB2 GLU 22 HB2 GLU 22 -7.697 13.514 3.657 169 HB3 GLU 22 HB3 GLU 22 -6.941 14.111 2.183 170 HG2 GLU 22 HG2 GLU 22 -9.144 14.585 1.205 171 HG3 GLU 22 HG3 GLU 22 -9.943 13.917 2.628 172 H LEU 23 H LEU 23 -10.249 12.033 1.157 173 HA LEU 23 HA LEU 23 -11.537 10.798 3.407 174 HB2 LEU 23 HB2 LEU 23 -12.565 11.090 0.554 175 HB3 LEU 23 HB3 LEU 23 -13.540 10.841 1.995 176 HG LEU 23 HG LEU 23 -11.923 13.349 1.365 177 HD11 LEU 23 HD11 LEU 23 -14.924 12.950 1.286 178 HD12 LEU 23 HD12 LEU 23 -13.853 13.149 -0.104 179 HD13 LEU 23 HD13 LEU 23 -14.060 14.473 1.038 180 HD21 LEU 23 HD21 LEU 23 -12.027 13.003 3.775 181 HD22 LEU 23 HD22 LEU 23 -13.783 12.818 3.708 182 HD23 LEU 23 HD23 LEU 23 -13.036 14.369 3.311 183 H MET 24 H MET 24 -9.771 9.649 0.739 184 HA MET 24 HA MET 24 -10.497 6.813 1.209 185 HB2 MET 24 HB2 MET 24 -10.109 8.316 -1.412 186 HB3 MET 24 HB3 MET 24 -9.976 6.566 -1.318 187 HG2 MET 24 HG2 MET 24 -12.236 6.259 -1.035 188 HG3 MET 24 HG3 MET 24 -12.461 7.800 -0.205 189 HE1 MET 24 HE1 MET 24 -11.183 9.948 -2.110 190 HE2 MET 24 HE2 MET 24 -12.782 10.114 -1.373 191 HE3 MET 24 HE3 MET 24 -12.581 10.359 -3.107 192 H GLY 25 H GLY 25 -8.398 5.978 -0.718 193 HA2 GLY 25 HA2 GLY 25 -6.108 5.710 -0.916 194 HA3 GLY 25 HA3 GLY 25 -5.859 7.022 0.227 195 H ARG 26 H ARG 26 -6.742 6.417 2.495 196 HA ARG 26 HA ARG 26 -5.538 4.245 3.709 197 HB2 ARG 26 HB2 ARG 26 -6.374 6.254 4.901 198 HB3 ARG 26 HB3 ARG 26 -8.034 5.792 4.581 199 HG2 ARG 26 HG2 ARG 26 -6.244 3.953 6.191 200 HG3 ARG 26 HG3 ARG 26 -6.963 5.370 6.953 201 HD2 ARG 26 HD2 ARG 26 -9.220 4.545 6.340 202 HD3 ARG 26 HD3 ARG 26 -8.497 3.111 5.607 203 HE ARG 26 HE ARG 26 -7.562 3.103 8.174 204 HH11 ARG 26 HH11 ARG 26 -10.789 3.164 6.762 205 HH12 ARG 26 HH12 ARG 26 -11.517 2.318 8.087 206 HH21 ARG 26 HH21 ARG 26 -8.540 2.001 9.897 207 HH22 ARG 26 HH22 ARG 26 -10.239 1.663 9.857 208 H ALA 27 H ALA 27 -8.669 4.493 2.091 209 HA ALA 27 HA ALA 27 -9.791 2.030 2.822 210 HB1 ALA 27 HB1 ALA 27 -11.185 2.255 0.800 211 HB2 ALA 27 HB2 ALA 27 -10.140 3.552 0.218 212 HB3 ALA 27 HB3 ALA 27 -11.092 3.779 1.688 213 H LEU 28 H LEU 28 -7.797 2.823 -0.121 214 HA LEU 28 HA LEU 28 -7.605 0.210 -1.133 215 HB2 LEU 28 HB2 LEU 28 -5.918 2.675 -1.515 216 HB3 LEU 28 HB3 LEU 28 -5.324 1.152 -2.154 217 HG LEU 28 HG LEU 28 -7.941 2.474 -2.920 218 HD11 LEU 28 HD11 LEU 28 -6.025 3.708 -3.784 219 HD12 LEU 28 HD12 LEU 28 -6.904 2.909 -5.084 220 HD13 LEU 28 HD13 LEU 28 -5.383 2.229 -4.505 221 HD21 LEU 28 HD21 LEU 28 -8.120 0.774 -4.668 222 HD22 LEU 28 HD22 LEU 28 -8.142 0.050 -3.063 223 HD23 LEU 28 HD23 LEU 28 -6.675 -0.033 -4.045 224 H TYR 29 H TYR 29 -5.587 1.945 1.177 225 HA TYR 29 HA TYR 29 -3.506 0.083 1.506 226 HB2 TYR 29 HB2 TYR 29 -3.363 2.433 2.311 227 HB3 TYR 29 HB3 TYR 29 -4.609 2.111 3.512 228 HD1 TYR 29 HD2 TYR 29 -1.253 0.820 2.428 229 HD2 TYR 29 HD1 TYR 29 -3.886 1.535 5.726 230 HE1 TYR 29 HE2 TYR 29 0.493 0.089 3.970 231 HE2 TYR 29 HE1 TYR 29 -2.117 0.786 7.273 232 HH TYR 29 HH TYR 29 1.139 0.096 6.143 233 H ASN 30 H ASN 30 -6.643 0.443 3.088 234 HA ASN 30 HA ASN 30 -6.219 -1.423 5.195 235 HB2 ASN 30 HB2 ASN 30 -7.934 0.550 5.077 236 HB3 ASN 30 HB3 ASN 30 -8.954 -0.561 4.170 237 HD21 ASN 30 HD21 ASN 30 -7.072 -0.380 7.196 238 HD22 ASN 30 HD22 ASN 30 -8.207 -1.282 8.143 239 H ILE 31 H ILE 31 -7.729 -1.555 1.995 240 HA ILE 31 HA ILE 31 -8.627 -4.230 1.980 241 HB ILE 31 HB ILE 31 -7.504 -2.720 -0.432 242 HG12 ILE 31 HG12 ILE 31 -10.451 -2.820 0.320 243 HG13 ILE 31 HG13 ILE 31 -9.402 -1.515 0.849 244 HG21 ILE 31 HG21 ILE 31 -9.438 -5.066 -0.268 245 HG22 ILE 31 HG22 ILE 31 -7.772 -5.119 -0.848 246 HG23 ILE 31 HG23 ILE 31 -8.987 -4.222 -1.758 247 HD11 ILE 31 HD11 ILE 31 -10.645 -0.876 -1.118 248 HD12 ILE 31 HD12 ILE 31 -9.995 -2.246 -2.016 249 HD13 ILE 31 HD13 ILE 31 -8.921 -0.946 -1.487 250 H GLY 32 H GLY 32 -5.480 -2.745 1.178 251 HA2 GLY 32 HA2 GLY 32 -4.112 -4.964 0.151 252 HA3 GLY 32 HA3 GLY 32 -3.374 -3.574 0.927 253 H LEU 33 H LEU 33 -4.517 -3.840 3.480 254 HA LEU 33 HA LEU 33 -2.850 -5.704 4.799 255 HB2 LEU 33 HB2 LEU 33 -5.377 -4.346 5.846 256 HB3 LEU 33 HB3 LEU 33 -4.151 -5.117 6.842 257 HG LEU 33 HG LEU 33 -3.649 -2.661 5.110 258 HD11 LEU 33 HD11 LEU 33 -4.135 -2.776 8.096 259 HD12 LEU 33 HD12 LEU 33 -5.228 -2.110 6.880 260 HD13 LEU 33 HD13 LEU 33 -3.667 -1.345 7.167 261 HD21 LEU 33 HD21 LEU 33 -1.613 -3.956 5.495 262 HD22 LEU 33 HD22 LEU 33 -1.901 -3.943 7.237 263 HD23 LEU 33 HD23 LEU 33 -1.555 -2.436 6.382 264 H GLU 34 H GLU 34 -6.176 -5.810 3.724 265 HA GLU 34 HA GLU 34 -6.907 -8.290 4.978 266 HB2 GLU 34 HB2 GLU 34 -8.268 -6.705 2.762 267 HB3 GLU 34 HB3 GLU 34 -8.978 -8.041 3.658 268 HG2 GLU 34 HG2 GLU 34 -8.221 -5.327 4.726 269 HG3 GLU 34 HG3 GLU 34 -9.841 -5.994 4.543 270 H LYS 35 H LYS 35 -5.669 -7.329 1.814 271 HA LYS 35 HA LYS 35 -6.036 -9.825 0.479 272 HB2 LYS 35 HB2 LYS 35 -4.012 -7.594 -0.009 273 HB3 LYS 35 HB3 LYS 35 -4.278 -8.948 -1.101 274 HG2 LYS 35 HG2 LYS 35 -6.344 -6.850 -0.375 275 HG3 LYS 35 HG3 LYS 35 -5.370 -6.848 -1.848 276 HD2 LYS 35 HD2 LYS 35 -6.437 -9.014 -2.522 277 HD3 LYS 35 HD3 LYS 35 -7.431 -8.963 -1.061 278 HE2 LYS 35 HE2 LYS 35 -8.511 -6.903 -1.832 279 HE3 LYS 35 HE3 LYS 35 -7.454 -6.848 -3.239 280 HZ1 LYS 35 HZ1 LYS 35 -8.460 -8.892 -4.025 281 HZ2 LYS 35 HZ2 LYS 35 -9.637 -7.690 -3.788 282 HZ3 LYS 35 HZ3 LYS 35 -9.461 -8.938 -2.663 283 H ASN 36 H ASN 36 -3.358 -8.284 2.207 284 HA ASN 36 HA ASN 36 -1.464 -10.358 2.108 285 HB2 ASN 36 HB2 ASN 36 -1.129 -7.882 2.781 286 HB3 ASN 36 HB3 ASN 36 -1.719 -8.328 4.375 287 HD21 ASN 36 HD21 ASN 36 0.866 -7.252 3.614 288 HD22 ASN 36 HD22 ASN 36 2.060 -8.390 4.132 289 H LYS 37 H LYS 37 -4.168 -9.726 4.336 290 HA LYS 37 HA LYS 37 -3.701 -11.646 6.333 291 HB2 LYS 37 HB2 LYS 37 -5.460 -9.988 6.637 292 HB3 LYS 37 HB3 LYS 37 -6.310 -10.542 5.199 293 HG2 LYS 37 HG2 LYS 37 -6.725 -12.745 6.385 294 HG3 LYS 37 HG3 LYS 37 -6.026 -12.036 7.837 295 HD2 LYS 37 HD2 LYS 37 -8.403 -10.758 6.448 296 HD3 LYS 37 HD3 LYS 37 -8.617 -12.087 7.581 297 HE2 LYS 37 HE2 LYS 37 -8.984 -10.042 8.779 298 HE3 LYS 37 HE3 LYS 37 -7.444 -10.698 9.325 299 HZ1 LYS 37 HZ1 LYS 37 -7.381 -8.298 8.946 300 HZ2 LYS 37 HZ2 LYS 37 -7.760 -8.535 7.319 301 HZ3 LYS 37 HZ3 LYS 37 -6.302 -9.116 7.937 302 H MET 38 H MET 38 -5.312 -11.907 3.179 303 HA MET 38 HA MET 38 -6.039 -14.696 3.479 304 HB2 MET 38 HB2 MET 38 -6.158 -12.817 1.083 305 HB3 MET 38 HB3 MET 38 -6.783 -14.459 1.080 306 HG2 MET 38 HG2 MET 38 -8.377 -13.817 2.883 307 HG3 MET 38 HG3 MET 38 -7.798 -12.153 2.761 308 HE1 MET 38 HE1 MET 38 -8.918 -11.198 -0.890 309 HE2 MET 38 HE2 MET 38 -7.345 -11.821 -0.407 310 HE3 MET 38 HE3 MET 38 -8.161 -10.613 0.588 311 H GLY 39 H GLY 39 -3.144 -13.151 2.704 312 HA2 GLY 39 HA2 GLY 39 -1.117 -14.138 2.115 313 HA3 GLY 39 HA3 GLY 39 -1.950 -15.565 1.520 314 H LYS 40 H LYS 40 -3.418 -12.784 0.360 315 HA LYS 40 HA LYS 40 -2.351 -13.058 -2.321 316 HB2 LYS 40 HB2 LYS 40 -4.256 -10.879 -1.365 317 HB3 LYS 40 HB3 LYS 40 -4.060 -11.504 -3.001 318 HG2 LYS 40 HG2 LYS 40 -5.284 -12.947 -0.642 319 HG3 LYS 40 HG3 LYS 40 -6.149 -12.264 -2.021 320 HD2 LYS 40 HD2 LYS 40 -5.093 -13.898 -3.527 321 HD3 LYS 40 HD3 LYS 40 -4.128 -14.538 -2.189 322 HE2 LYS 40 HE2 LYS 40 -6.203 -15.245 -1.045 323 HE3 LYS 40 HE3 LYS 40 -7.155 -14.630 -2.401 324 HZ1 LYS 40 HZ1 LYS 40 -5.101 -16.760 -2.608 325 HZ2 LYS 40 HZ2 LYS 40 -6.129 -16.222 -3.838 326 HZ3 LYS 40 HZ3 LYS 40 -6.768 -17.027 -2.499 327 H ALA 41 H ALA 41 -0.184 -12.510 -1.885 328 HA ALA 41 HA ALA 41 0.565 -10.047 -0.595 329 HB1 ALA 41 HB1 ALA 41 2.858 -10.832 -1.008 330 HB2 ALA 41 HB2 ALA 41 2.234 -12.156 -1.991 331 HB3 ALA 41 HB3 ALA 41 1.860 -12.081 -0.267 332 H ARG 42 H ARG 42 0.416 -11.238 -3.944 333 HA ARG 42 HA ARG 42 1.738 -9.066 -5.220 334 HB2 ARG 42 HB2 ARG 42 1.489 -11.075 -6.533 335 HB3 ARG 42 HB3 ARG 42 -0.238 -11.157 -6.209 336 HG2 ARG 42 HG2 ARG 42 0.172 -10.501 -8.534 337 HG3 ARG 42 HG3 ARG 42 -0.632 -9.202 -7.653 338 HD2 ARG 42 HD2 ARG 42 1.769 -8.220 -7.321 339 HD3 ARG 42 HD3 ARG 42 2.250 -9.351 -8.588 340 HE ARG 42 HE ARG 42 0.418 -7.081 -8.856 341 HH11 ARG 42 HH11 ARG 42 2.317 -9.553 -10.439 342 HH12 ARG 42 HH12 ARG 42 2.130 -8.864 -12.014 343 HH21 ARG 42 HH21 ARG 42 0.173 -6.184 -10.914 344 HH22 ARG 42 HH22 ARG 42 0.908 -6.944 -12.289 345 H GLU 43 H GLU 43 -1.717 -9.765 -4.624 346 HA GLU 43 HA GLU 43 -2.818 -7.377 -5.632 347 HB2 GLU 43 HB2 GLU 43 -3.849 -9.311 -3.514 348 HB3 GLU 43 HB3 GLU 43 -4.797 -7.942 -4.098 349 HG2 GLU 43 HG2 GLU 43 -4.797 -8.846 -6.359 350 HG3 GLU 43 HG3 GLU 43 -3.728 -10.160 -5.862 351 H ALA 44 H ALA 44 -1.760 -8.299 -2.350 352 HA ALA 44 HA ALA 44 -2.463 -6.035 -0.901 353 HB1 ALA 44 HB1 ALA 44 -0.706 -6.680 0.708 354 HB2 ALA 44 HB2 ALA 44 -0.008 -7.784 -0.482 355 HB3 ALA 44 HB3 ALA 44 -1.620 -8.091 0.168 356 H ALA 45 H ALA 45 0.573 -6.713 -2.644 357 HA ALA 45 HA ALA 45 2.023 -4.416 -2.030 358 HB1 ALA 45 HB1 ALA 45 3.014 -6.429 -3.056 359 HB2 ALA 45 HB2 ALA 45 3.407 -4.985 -3.989 360 HB3 ALA 45 HB3 ALA 45 2.158 -6.092 -4.567 361 H GLU 46 H GLU 46 -0.233 -5.006 -4.755 362 HA GLU 46 HA GLU 46 0.214 -2.483 -6.057 363 HB2 GLU 46 HB2 GLU 46 -2.039 -4.500 -6.407 364 HB3 GLU 46 HB3 GLU 46 -1.799 -3.081 -7.429 365 HG2 GLU 46 HG2 GLU 46 0.449 -3.954 -8.057 366 HG3 GLU 46 HG3 GLU 46 0.116 -5.409 -7.115 367 H TYR 47 H TYR 47 -2.233 -3.677 -3.792 368 HA TYR 47 HA TYR 47 -3.880 -1.350 -3.816 369 HB2 TYR 47 HB2 TYR 47 -3.691 -3.774 -1.989 370 HB3 TYR 47 HB3 TYR 47 -4.669 -2.393 -1.499 371 HD1 TYR 47 HD1 TYR 47 -6.705 -1.793 -2.751 372 HD2 TYR 47 HD2 TYR 47 -4.448 -5.211 -3.878 373 HE1 TYR 47 HE1 TYR 47 -8.586 -2.594 -4.110 374 HE2 TYR 47 HE2 TYR 47 -6.303 -6.020 -5.236 375 HH TYR 47 HH TYR 47 -8.994 -4.088 -6.016 376 H PHE 48 H PHE 48 -0.980 -2.270 -2.036 377 HA PHE 48 HA PHE 48 -0.986 -0.039 -0.213 378 HB2 PHE 48 HB2 PHE 48 1.256 -1.926 -1.069 379 HB3 PHE 48 HB3 PHE 48 1.465 -0.664 0.143 380 HD1 PHE 48 HD1 PHE 48 -1.218 -0.948 1.518 381 HD2 PHE 48 HD2 PHE 48 1.663 -3.862 0.306 382 HE1 PHE 48 HE1 PHE 48 -1.968 -2.419 3.299 383 HE2 PHE 48 HE2 PHE 48 0.889 -5.356 2.098 384 HZ PHE 48 HZ PHE 48 -0.925 -4.636 3.598 385 H PHE 49 H PHE 49 0.315 -0.671 -3.436 386 HA PHE 49 HA PHE 49 2.054 1.585 -3.554 387 HB2 PHE 49 HB2 PHE 49 2.365 -0.387 -5.031 388 HB3 PHE 49 HB3 PHE 49 0.842 -0.029 -5.846 389 HD1 PHE 49 HD2 PHE 49 3.835 1.991 -4.817 390 HD2 PHE 49 HD1 PHE 49 1.227 0.871 -8.027 391 HE1 PHE 49 HE2 PHE 49 5.044 3.469 -6.329 392 HE2 PHE 49 HE1 PHE 49 2.473 2.370 -9.537 393 HZ PHE 49 HZ PHE 49 4.401 3.672 -8.682 394 H ARG 50 H ARG 50 -1.125 0.922 -4.993 395 HA ARG 50 HA ARG 50 -1.612 3.447 -6.112 396 HB2 ARG 50 HB2 ARG 50 -3.526 1.280 -5.173 397 HB3 ARG 50 HB3 ARG 50 -4.035 2.701 -6.082 398 HG2 ARG 50 HG2 ARG 50 -2.715 2.018 -8.007 399 HG3 ARG 50 HG3 ARG 50 -2.029 0.659 -7.106 400 HD2 ARG 50 HD2 ARG 50 -3.871 -0.013 -8.654 401 HD3 ARG 50 HD3 ARG 50 -4.192 -0.416 -6.965 402 HE ARG 50 HE ARG 50 -5.287 2.097 -8.033 403 HH11 ARG 50 HH11 ARG 50 -5.939 -1.196 -6.947 404 HH12 ARG 50 HH12 ARG 50 -7.643 -0.931 -6.809 405 HH21 ARG 50 HH21 ARG 50 -7.504 2.417 -7.846 406 HH22 ARG 50 HH22 ARG 50 -8.537 1.125 -7.319 407 H ALA 51 H ALA 51 -2.326 2.101 -2.892 408 HA ALA 51 HA ALA 51 -3.704 4.269 -1.756 409 HB1 ALA 51 HB1 ALA 51 -3.533 2.089 -0.634 410 HB2 ALA 51 HB2 ALA 51 -2.966 3.379 0.426 411 HB3 ALA 51 HB3 ALA 51 -1.800 2.333 -0.390 412 H ALA 52 H ALA 52 -0.208 3.551 -1.935 413 HA ALA 52 HA ALA 52 0.725 5.761 -0.444 414 HB1 ALA 52 HB1 ALA 52 2.201 4.137 -2.551 415 HB2 ALA 52 HB2 ALA 52 2.091 3.745 -0.833 416 HB3 ALA 52 HB3 ALA 52 2.943 5.200 -1.354 417 H ILE 53 H ILE 53 -0.033 5.372 -3.882 418 HA ILE 53 HA ILE 53 1.019 7.791 -4.895 419 HB ILE 53 HB ILE 53 -1.384 6.148 -5.842 420 HG12 ILE 53 HG12 ILE 53 1.441 6.301 -6.993 421 HG13 ILE 53 HG13 ILE 53 0.866 5.008 -5.956 422 HG21 ILE 53 HG21 ILE 53 -0.011 8.433 -7.309 423 HG22 ILE 53 HG22 ILE 53 -1.653 8.450 -6.667 424 HG23 ILE 53 HG23 ILE 53 -1.244 7.373 -8.001 425 HD11 ILE 53 HD11 ILE 53 0.867 4.313 -8.262 426 HD12 ILE 53 HD12 ILE 53 -0.167 5.667 -8.715 427 HD13 ILE 53 HD13 ILE 53 -0.790 4.390 -7.666 428 H VAL 54 H VAL 54 -2.169 6.961 -3.535 429 HA VAL 54 HA VAL 54 -3.377 9.519 -3.910 430 HB VAL 54 HB VAL 54 -4.209 7.287 -1.992 431 HG11 VAL 54 HG11 VAL 54 -5.844 9.590 -3.138 432 HG12 VAL 54 HG12 VAL 54 -5.309 9.440 -1.463 433 HG13 VAL 54 HG13 VAL 54 -6.474 8.290 -2.120 434 HG21 VAL 54 HG21 VAL 54 -4.015 6.522 -4.354 435 HG22 VAL 54 HG22 VAL 54 -5.133 7.790 -4.850 436 HG23 VAL 54 HG23 VAL 54 -5.684 6.493 -3.786 437 H PHE 55 H PHE 55 -1.783 7.944 -1.136 438 HA PHE 55 HA PHE 55 -2.154 9.947 0.815 439 HB2 PHE 55 HB2 PHE 55 0.005 7.817 0.524 440 HB3 PHE 55 HB3 PHE 55 -0.028 8.930 1.886 441 HD1 PHE 55 HD1 PHE 55 -2.740 9.078 2.785 442 HD2 PHE 55 HD2 PHE 55 -0.655 5.678 1.217 443 HE1 PHE 55 HE1 PHE 55 -4.196 7.572 4.077 444 HE2 PHE 55 HE2 PHE 55 -2.120 4.190 2.503 445 HZ PHE 55 HZ PHE 55 -3.881 5.132 3.935 446 H TYR 56 H TYR 56 0.303 9.482 -1.682 447 HA TYR 56 HA TYR 56 2.046 11.579 -0.861 448 HB2 TYR 56 HB2 TYR 56 2.880 9.763 -2.254 449 HB3 TYR 56 HB3 TYR 56 1.723 10.146 -3.529 450 HD1 TYR 56 HD2 TYR 56 4.362 11.947 -1.528 451 HD2 TYR 56 HD1 TYR 56 2.629 11.291 -5.384 452 HE1 TYR 56 HE2 TYR 56 6.000 13.456 -2.519 453 HE2 TYR 56 HE1 TYR 56 4.253 12.818 -6.366 454 HH TYR 56 HH TYR 56 5.658 14.791 -5.558 455 H LYS 57 H LYS 57 -0.465 11.385 -3.393 456 HA LYS 57 HA LYS 57 -0.489 13.967 -4.375 457 HB2 LYS 57 HB2 LYS 57 -2.475 11.734 -4.222 458 HB3 LYS 57 HB3 LYS 57 -3.204 13.320 -4.432 459 HG2 LYS 57 HG2 LYS 57 -2.825 12.137 -6.573 460 HG3 LYS 57 HG3 LYS 57 -1.998 13.693 -6.473 461 HD2 LYS 57 HD2 LYS 57 0.142 12.524 -5.992 462 HD3 LYS 57 HD3 LYS 57 -0.681 10.966 -6.090 463 HE2 LYS 57 HE2 LYS 57 -1.116 11.276 -8.450 464 HE3 LYS 57 HE3 LYS 57 -0.558 12.950 -8.380 465 HZ1 LYS 57 HZ1 LYS 57 1.134 10.565 -7.892 466 HZ2 LYS 57 HZ2 LYS 57 1.651 12.174 -7.867 467 HZ3 LYS 57 HZ3 LYS 57 1.112 11.482 -9.310 468 H GLU 58 H GLU 58 -2.177 12.732 -1.518 469 HA GLU 58 HA GLU 58 -3.275 15.333 -0.816 470 HB2 GLU 58 HB2 GLU 58 -3.291 12.736 0.785 471 HB3 GLU 58 HB3 GLU 58 -4.262 14.169 1.115 472 HG2 GLU 58 HG2 GLU 58 -4.486 12.368 -1.309 473 HG3 GLU 58 HG3 GLU 58 -5.596 12.428 0.055 474 H HIS 59 H HIS 59 -0.321 13.788 -0.411 475 HA HIS 59 HA HIS 59 1.531 14.043 0.779 476 HB2 HIS 59 HB2 HIS 59 0.337 16.805 1.143 477 HB3 HIS 59 HB3 HIS 59 1.900 16.400 1.841 478 HD1 HIS 59 HD1 HIS 59 3.893 16.321 0.311 479 HD2 HIS 59 HD2 HIS 59 0.329 16.784 -1.758 480 HE1 HIS 59 HE1 HIS 59 4.550 16.885 -2.040 481 HE2 HIS 59 HE2 HIS 59 2.375 17.149 -3.272 482 H ASP 60 H ASP 60 -0.776 12.840 2.017 483 HA ASP 60 HA ASP 60 -0.491 13.190 4.880 484 HB2 ASP 60 HB2 ASP 60 -2.650 12.400 3.823 485 HB3 ASP 60 HB3 ASP 60 -1.831 10.932 3.295 486 H THR 61 H THR 61 1.619 12.896 5.313 487 HA THR 61 HA THR 61 3.324 11.020 4.051 488 HB THR 61 HB THR 61 3.863 12.568 6.624 489 HG1 THR 61 HG1 THR 61 3.894 13.342 3.898 490 HG21 THR 61 HG21 THR 61 5.572 10.835 6.143 491 HG22 THR 61 HG22 THR 61 6.239 12.452 5.909 492 HG23 THR 61 HG23 THR 61 5.776 11.483 4.510 493 H ASP 62 H ASP 62 1.330 10.870 6.913 494 HA ASP 62 HA ASP 62 2.698 8.894 8.402 495 HB2 ASP 62 HB2 ASP 62 0.879 10.373 9.317 496 HB3 ASP 62 HB3 ASP 62 -0.306 9.478 8.373 497 H GLY 63 H GLY 63 -0.087 8.633 6.180 498 HA2 GLY 63 HA2 GLY 63 -0.291 5.801 6.184 499 HA3 GLY 63 HA3 GLY 63 -0.993 6.898 5.003 500 H LEU 64 H LEU 64 1.305 8.116 4.033 501 HA LEU 64 HA LEU 64 2.253 6.403 2.017 502 HB2 LEU 64 HB2 LEU 64 2.192 8.868 1.856 503 HB3 LEU 64 HB3 LEU 64 3.379 9.000 3.139 504 HG LEU 64 HG LEU 64 5.088 7.933 1.610 505 HD11 LEU 64 HD11 LEU 64 2.968 8.247 -0.529 506 HD12 LEU 64 HD12 LEU 64 3.595 6.718 0.101 507 HD13 LEU 64 HD13 LEU 64 4.659 7.809 -0.790 508 HD21 LEU 64 HD21 LEU 64 5.452 9.922 0.232 509 HD22 LEU 64 HD22 LEU 64 4.997 10.355 1.877 510 HD23 LEU 64 HD23 LEU 64 3.810 10.478 0.575 511 H ARG 65 H ARG 65 3.573 7.244 5.172 512 HA ARG 65 HA ARG 65 6.193 6.185 4.951 513 HB2 ARG 65 HB2 ARG 65 5.501 7.826 6.680 514 HB3 ARG 65 HB3 ARG 65 4.430 6.631 7.398 515 HG2 ARG 65 HG2 ARG 65 6.655 5.237 7.724 516 HG3 ARG 65 HG3 ARG 65 7.447 6.801 7.511 517 HD2 ARG 65 HD2 ARG 65 7.081 6.348 9.896 518 HD3 ARG 65 HD3 ARG 65 6.093 7.723 9.387 519 HE ARG 65 HE ARG 65 5.045 4.963 9.700 520 HH11 ARG 65 HH11 ARG 65 4.576 8.438 10.082 521 HH12 ARG 65 HH12 ARG 65 2.979 8.259 10.731 522 HH21 ARG 65 HH21 ARG 65 2.939 4.775 10.526 523 HH22 ARG 65 HH22 ARG 65 2.053 6.195 10.978 524 H ARG 66 H ARG 66 3.200 4.913 6.374 525 HA ARG 66 HA ARG 66 4.364 2.428 7.192 526 HB2 ARG 66 HB2 ARG 66 2.308 3.720 8.224 527 HB3 ARG 66 HB3 ARG 66 1.367 2.864 7.003 528 HG2 ARG 66 HG2 ARG 66 2.264 0.700 7.907 529 HG3 ARG 66 HG3 ARG 66 3.082 1.611 9.178 530 HD2 ARG 66 HD2 ARG 66 0.788 2.481 9.871 531 HD3 ARG 66 HD3 ARG 66 0.093 1.318 8.734 532 HE ARG 66 HE ARG 66 1.339 0.774 11.295 533 HH11 ARG 66 HH11 ARG 66 0.208 -0.683 8.291 534 HH12 ARG 66 HH12 ARG 66 0.101 -2.272 8.973 535 HH21 ARG 66 HH21 ARG 66 1.167 -1.292 12.154 536 HH22 ARG 66 HH22 ARG 66 0.645 -2.613 11.161 537 H ALA 67 H ALA 67 2.619 3.575 4.378 538 HA ALA 67 HA ALA 67 1.988 1.052 3.207 539 HB1 ALA 67 HB1 ALA 67 1.519 2.332 1.153 540 HB2 ALA 67 HB2 ALA 67 2.265 3.769 1.863 541 HB3 ALA 67 HB3 ALA 67 0.789 3.103 2.564 542 H ALA 68 H ALA 68 4.778 3.236 3.025 543 HA ALA 68 HA ALA 68 6.170 2.064 0.881 544 HB1 ALA 68 HB1 ALA 68 6.755 4.267 1.843 545 HB2 ALA 68 HB2 ALA 68 8.161 3.202 1.790 546 HB3 ALA 68 HB3 ALA 68 7.319 3.475 3.318 547 H LYS 69 H LYS 69 6.194 1.329 4.340 548 HA LYS 69 HA LYS 69 8.165 -0.749 4.162 549 HB2 LYS 69 HB2 LYS 69 7.832 0.535 6.235 550 HB3 LYS 69 HB3 LYS 69 6.198 -0.107 6.386 551 HG2 LYS 69 HG2 LYS 69 7.131 -2.401 6.613 552 HG3 LYS 69 HG3 LYS 69 8.764 -1.742 6.484 553 HD2 LYS 69 HD2 LYS 69 6.763 -1.105 8.682 554 HD3 LYS 69 HD3 LYS 69 8.122 -2.220 8.822 555 HE2 LYS 69 HE2 LYS 69 9.690 -0.334 8.426 556 HE3 LYS 69 HE3 LYS 69 8.313 0.770 8.330 557 HZ1 LYS 69 HZ1 LYS 69 9.137 -0.826 10.689 558 HZ2 LYS 69 HZ2 LYS 69 7.731 0.105 10.608 559 HZ3 LYS 69 HZ3 LYS 69 9.243 0.853 10.509 560 H SER 70 H SER 70 4.592 -0.740 4.580 561 HA SER 70 HA SER 70 4.220 -3.516 4.812 562 HB2 SER 70 HB2 SER 70 2.276 -1.391 3.812 563 HB3 SER 70 HB3 SER 70 1.823 -3.030 4.296 564 HG SER 70 HG SER 70 3.273 -1.979 6.257 565 H LEU 71 H LEU 71 4.568 -1.466 1.995 566 HA LEU 71 HA LEU 71 3.604 -3.146 -0.037 567 HB2 LEU 71 HB2 LEU 71 4.657 -0.595 0.075 568 HB3 LEU 71 HB3 LEU 71 5.961 -1.439 -0.722 569 HG LEU 71 HG LEU 71 3.092 -1.442 -1.739 570 HD11 LEU 71 HD11 LEU 71 5.377 0.351 -2.586 571 HD12 LEU 71 HD12 LEU 71 3.900 0.835 -1.749 572 HD13 LEU 71 HD13 LEU 71 3.812 0.221 -3.396 573 HD21 LEU 71 HD21 LEU 71 4.415 -3.331 -2.562 574 HD22 LEU 71 HD22 LEU 71 5.667 -2.227 -3.139 575 HD23 LEU 71 HD23 LEU 71 4.055 -2.198 -3.862 576 H LYS 72 H LYS 72 6.964 -2.683 1.183 577 HA LYS 72 HA LYS 72 8.085 -4.686 -0.515 578 HB2 LYS 72 HB2 LYS 72 10.187 -4.384 0.713 579 HB3 LYS 72 HB3 LYS 72 9.475 -2.843 0.254 580 HG2 LYS 72 HG2 LYS 72 8.689 -2.490 2.553 581 HG3 LYS 72 HG3 LYS 72 9.330 -4.064 3.031 582 HD2 LYS 72 HD2 LYS 72 10.842 -2.247 3.725 583 HD3 LYS 72 HD3 LYS 72 11.626 -3.294 2.542 584 HE2 LYS 72 HE2 LYS 72 11.120 -1.617 0.769 585 HE3 LYS 72 HE3 LYS 72 10.382 -0.575 1.989 586 HZ1 LYS 72 HZ1 LYS 72 12.491 -0.347 3.078 587 HZ2 LYS 72 HZ2 LYS 72 12.696 0.012 1.438 588 HZ3 LYS 72 HZ3 LYS 72 13.211 -1.475 2.044 589 H GLU 73 H GLU 73 6.746 -4.814 2.728 590 HA GLU 73 HA GLU 73 7.785 -7.382 3.468 591 HB2 GLU 73 HB2 GLU 73 5.309 -5.927 4.490 592 HB3 GLU 73 HB3 GLU 73 6.055 -7.331 5.251 593 HG2 GLU 73 HG2 GLU 73 8.096 -6.041 5.700 594 HG3 GLU 73 HG3 GLU 73 7.402 -4.636 4.890 595 H ALA 74 H ALA 74 4.842 -6.279 1.817 596 HA ALA 74 HA ALA 74 3.591 -8.819 1.514 597 HB1 ALA 74 HB1 ALA 74 2.236 -7.721 -0.233 598 HB2 ALA 74 HB2 ALA 74 3.325 -6.330 -0.220 599 HB3 ALA 74 HB3 ALA 74 2.356 -6.703 1.207 600 H ILE 75 H ILE 75 5.996 -7.029 -0.369 601 HA ILE 75 HA ILE 75 5.982 -8.631 -2.696 602 HB ILE 75 HB ILE 75 8.087 -6.759 -1.587 603 HG12 ILE 75 HG12 ILE 75 6.248 -6.312 -3.975 604 HG13 ILE 75 HG13 ILE 75 5.736 -5.925 -2.336 605 HG21 ILE 75 HG21 ILE 75 8.017 -8.042 -4.347 606 HG22 ILE 75 HG22 ILE 75 9.205 -8.372 -3.084 607 HG23 ILE 75 HG23 ILE 75 9.138 -6.778 -3.831 608 HD11 ILE 75 HD11 ILE 75 7.426 -4.297 -2.105 609 HD12 ILE 75 HD12 ILE 75 6.602 -4.024 -3.637 610 HD13 ILE 75 HD13 ILE 75 8.192 -4.777 -3.615 611 H THR 76 H THR 76 8.013 -8.788 0.222 612 HA THR 76 HA THR 76 9.715 -10.885 -0.606 613 HB THR 76 HB THR 76 10.161 -11.268 1.834 614 HG1 THR 76 HG1 THR 76 8.260 -9.197 2.302 615 HG21 THR 76 HG21 THR 76 11.045 -9.019 2.355 616 HG22 THR 76 HG22 THR 76 10.075 -8.330 1.052 617 HG23 THR 76 HG23 THR 76 11.381 -9.458 0.676 618 H ALA 77 H ALA 77 6.411 -10.873 0.471 619 HA ALA 77 HA ALA 77 6.249 -13.743 0.952 620 HB1 ALA 77 HB1 ALA 77 4.108 -11.592 1.077 621 HB2 ALA 77 HB2 ALA 77 5.043 -12.208 2.441 622 HB3 ALA 77 HB3 ALA 77 3.917 -13.269 1.592 623 H ILE 78 H ILE 78 5.772 -11.560 -1.744 624 HA ILE 78 HA ILE 78 3.861 -13.024 -3.260 625 HB ILE 78 HB ILE 78 6.149 -11.307 -4.363 626 HG12 ILE 78 HG12 ILE 78 3.252 -10.514 -3.845 627 HG13 ILE 78 HG13 ILE 78 4.627 -10.019 -2.870 628 HG21 ILE 78 HG21 ILE 78 4.813 -11.135 -6.446 629 HG22 ILE 78 HG22 ILE 78 3.606 -12.229 -5.770 630 HG23 ILE 78 HG23 ILE 78 5.239 -12.808 -6.099 631 HD11 ILE 78 HD11 ILE 78 5.542 -8.771 -4.771 632 HD12 ILE 78 HD12 ILE 78 3.909 -8.246 -4.359 633 HD13 ILE 78 HD13 ILE 78 4.166 -9.277 -5.764 634 HA PRO 79 HA PRO 79 6.528 -16.646 -4.300 635 HB2 PRO 79 HB2 PRO 79 4.326 -17.131 -6.301 636 HB3 PRO 79 HB3 PRO 79 4.990 -18.228 -5.070 637 HG2 PRO 79 HG2 PRO 79 2.578 -17.149 -4.737 638 HG3 PRO 79 HG3 PRO 79 3.687 -17.332 -3.356 639 HD2 PRO 79 HD2 PRO 79 3.077 -14.847 -4.962 640 HD3 PRO 79 HD3 PRO 79 3.238 -15.039 -3.199 641 H GLU 80 H GLU 80 7.844 -17.188 -6.145 642 HA GLU 80 HA GLU 80 8.624 -14.963 -7.737 643 HB2 GLU 80 HB2 GLU 80 9.452 -17.880 -7.884 644 HB3 GLU 80 HB3 GLU 80 10.189 -16.602 -8.850 645 HG2 GLU 80 HG2 GLU 80 10.876 -15.459 -6.727 646 HG3 GLU 80 HG3 GLU 80 10.236 -16.834 -5.823 647 H GLU 81 H GLU 81 6.715 -14.431 -8.762 648 HA GLU 81 HA GLU 81 6.152 -15.658 -11.349 649 HB2 GLU 81 HB2 GLU 81 4.055 -15.385 -9.128 650 HB3 GLU 81 HB3 GLU 81 3.651 -15.626 -10.825 651 HG2 GLU 81 HG2 GLU 81 4.706 -17.815 -10.827 652 HG3 GLU 81 HG3 GLU 81 5.282 -17.580 -9.179 653 H GLU 82 H GLU 82 3.734 -14.043 -11.624 654 HA GLU 82 HA GLU 82 4.603 -11.463 -12.261 655 HB2 GLU 82 HB2 GLU 82 1.816 -12.547 -11.623 656 HB3 GLU 82 HB3 GLU 82 2.092 -10.919 -12.222 657 HG2 GLU 82 HG2 GLU 82 1.348 -12.392 -14.023 658 HG3 GLU 82 HG3 GLU 82 2.981 -11.809 -14.325 659 H GLY 83 H GLY 83 5.570 -10.237 -10.697 660 HA2 GLY 83 HA2 GLY 83 4.557 -8.606 -8.914 661 HA3 GLY 83 HA3 GLY 83 4.453 -10.092 -7.974 662 H ARG 84 H ARG 84 6.908 -11.241 -9.034 663 HA ARG 84 HA ARG 84 8.912 -9.662 -7.569 664 HB2 ARG 84 HB2 ARG 84 9.247 -12.350 -8.986 665 HB3 ARG 84 HB3 ARG 84 10.362 -11.624 -7.830 666 HG2 ARG 84 HG2 ARG 84 7.538 -12.545 -7.190 667 HG3 ARG 84 HG3 ARG 84 9.003 -13.459 -6.851 668 HD2 ARG 84 HD2 ARG 84 8.535 -10.694 -5.699 669 HD3 ARG 84 HD3 ARG 84 7.947 -12.156 -4.908 670 HE ARG 84 HE ARG 84 10.821 -11.717 -5.496 671 HH11 ARG 84 HH11 ARG 84 8.292 -12.615 -3.198 672 HH12 ARG 84 HH12 ARG 84 9.416 -13.041 -1.949 673 HH21 ARG 84 HH21 ARG 84 12.257 -12.281 -3.824 674 HH22 ARG 84 HH22 ARG 84 11.636 -12.844 -2.310 675 H LYS 85 H LYS 85 10.592 -8.582 -8.595 676 HA LYS 85 HA LYS 85 11.385 -7.107 -10.112 677 HB2 LYS 85 HB2 LYS 85 12.475 -9.235 -10.921 678 HB3 LYS 85 HB3 LYS 85 11.154 -9.453 -12.063 679 HG2 LYS 85 HG2 LYS 85 13.118 -8.532 -13.198 680 HG3 LYS 85 HG3 LYS 85 11.794 -7.363 -13.217 681 HD2 LYS 85 HD2 LYS 85 12.887 -6.237 -11.216 682 HD3 LYS 85 HD3 LYS 85 14.271 -7.310 -11.438 683 HE2 LYS 85 HE2 LYS 85 14.795 -5.219 -12.506 684 HE3 LYS 85 HE3 LYS 85 14.480 -6.384 -13.796 685 HZ1 LYS 85 HZ1 LYS 85 13.383 -4.339 -14.303 686 HZ2 LYS 85 HZ2 LYS 85 12.622 -4.290 -12.791 687 HZ3 LYS 85 HZ3 LYS 85 12.193 -5.475 -13.920 688 H GLU 86 H GLU 86 8.770 -6.785 -9.600 689 HA GLU 86 HA GLU 86 7.790 -5.349 -11.884 690 HB2 GLU 86 HB2 GLU 86 6.866 -7.608 -12.378 691 HB3 GLU 86 HB3 GLU 86 6.131 -7.675 -10.781 692 HG2 GLU 86 HG2 GLU 86 4.466 -7.155 -12.508 693 HG3 GLU 86 HG3 GLU 86 4.628 -5.820 -11.365 694 H ALA 87 H ALA 87 6.411 -6.750 -8.898 695 HA ALA 87 HA ALA 87 5.287 -4.252 -8.017 696 HB1 ALA 87 HB1 ALA 87 5.499 -6.889 -6.525 697 HB2 ALA 87 HB2 ALA 87 4.158 -6.400 -7.563 698 HB3 ALA 87 HB3 ALA 87 4.493 -5.510 -6.075 699 H LYS 88 H LYS 88 8.329 -5.882 -7.540 700 HA LYS 88 HA LYS 88 8.958 -5.133 -4.914 701 HB2 LYS 88 HB2 LYS 88 10.126 -6.917 -6.174 702 HB3 LYS 88 HB3 LYS 88 10.928 -5.688 -7.157 703 HG2 LYS 88 HG2 LYS 88 12.077 -4.789 -5.204 704 HG3 LYS 88 HG3 LYS 88 11.170 -5.863 -4.127 705 HD2 LYS 88 HD2 LYS 88 12.233 -7.824 -5.238 706 HD3 LYS 88 HD3 LYS 88 13.189 -6.726 -6.238 707 HE2 LYS 88 HE2 LYS 88 14.247 -5.801 -4.193 708 HE3 LYS 88 HE3 LYS 88 13.291 -6.904 -3.203 709 HZ1 LYS 88 HZ1 LYS 88 15.492 -7.777 -3.513 710 HZ2 LYS 88 HZ2 LYS 88 15.352 -7.674 -5.195 711 HZ3 LYS 88 HZ3 LYS 88 14.388 -8.757 -4.337 712 H GLU 89 H GLU 89 9.543 -3.521 -7.932 713 HA GLU 89 HA GLU 89 11.163 -1.394 -6.896 714 HB2 GLU 89 HB2 GLU 89 10.580 -0.434 -9.350 715 HB3 GLU 89 HB3 GLU 89 11.802 -1.659 -9.090 716 HG2 GLU 89 HG2 GLU 89 8.989 -2.499 -9.759 717 HG3 GLU 89 HG3 GLU 89 10.025 -1.887 -11.040 718 H MET 90 H MET 90 7.743 -1.888 -7.347 719 HA MET 90 HA MET 90 6.805 0.770 -7.142 720 HB2 MET 90 HB2 MET 90 5.476 -1.708 -5.982 721 HB3 MET 90 HB3 MET 90 4.692 -0.170 -6.296 722 HG2 MET 90 HG2 MET 90 5.256 -0.529 -8.746 723 HG3 MET 90 HG3 MET 90 5.688 -2.183 -8.307 724 HE1 MET 90 HE1 MET 90 3.822 -3.600 -6.667 725 HE2 MET 90 HE2 MET 90 2.102 -3.234 -6.705 726 HE3 MET 90 HE3 MET 90 3.202 -2.193 -5.803 727 H ALA 91 H ALA 91 7.894 -1.528 -4.647 728 HA ALA 91 HA ALA 91 7.200 -0.098 -2.316 729 HB1 ALA 91 HB1 ALA 91 9.004 -1.405 -1.195 730 HB2 ALA 91 HB2 ALA 91 9.546 -1.971 -2.781 731 HB3 ALA 91 HB3 ALA 91 7.947 -2.408 -2.184 732 H LYS 92 H LYS 92 10.091 -0.026 -4.357 733 HA LYS 92 HA LYS 92 11.656 1.853 -3.003 734 HB2 LYS 92 HB2 LYS 92 12.512 0.464 -4.834 735 HB3 LYS 92 HB3 LYS 92 11.444 1.262 -5.982 736 HG2 LYS 92 HG2 LYS 92 12.678 3.391 -5.648 737 HG3 LYS 92 HG3 LYS 92 13.744 2.583 -4.498 738 HD2 LYS 92 HD2 LYS 92 13.471 1.940 -7.457 739 HD3 LYS 92 HD3 LYS 92 14.826 2.767 -6.691 740 HE2 LYS 92 HE2 LYS 92 15.297 0.687 -5.378 741 HE3 LYS 92 HE3 LYS 92 13.993 -0.122 -6.254 742 HZ1 LYS 92 HZ1 LYS 92 16.101 -0.629 -7.248 743 HZ2 LYS 92 HZ2 LYS 92 16.467 1.010 -7.446 744 HZ3 LYS 92 HZ3 LYS 92 15.197 0.313 -8.322 745 H LYS 93 H LYS 93 9.129 2.264 -5.487 746 HA LYS 93 HA LYS 93 9.274 5.041 -5.877 747 HB2 LYS 93 HB2 LYS 93 7.059 3.003 -6.200 748 HB3 LYS 93 HB3 LYS 93 6.711 4.705 -6.472 749 HG2 LYS 93 HG2 LYS 93 8.864 3.158 -7.946 750 HG3 LYS 93 HG3 LYS 93 7.216 3.401 -8.541 751 HD2 LYS 93 HD2 LYS 93 7.558 5.858 -8.489 752 HD3 LYS 93 HD3 LYS 93 9.195 5.614 -7.900 753 HE2 LYS 93 HE2 LYS 93 9.740 4.413 -10.008 754 HE3 LYS 93 HE3 LYS 93 8.109 4.760 -10.595 755 HZ1 LYS 93 HZ1 LYS 93 10.166 6.776 -9.868 756 HZ2 LYS 93 HZ2 LYS 93 8.599 7.125 -10.398 757 HZ3 LYS 93 HZ3 LYS 93 9.689 6.362 -11.436 758 H ALA 94 H ALA 94 7.323 3.166 -3.552 759 HA ALA 94 HA ALA 94 5.897 5.311 -2.387 760 HB1 ALA 94 HB1 ALA 94 5.402 3.727 -0.569 761 HB2 ALA 94 HB2 ALA 94 6.649 2.637 -1.176 762 HB3 ALA 94 HB3 ALA 94 5.215 2.959 -2.152 763 H GLU 95 H GLU 95 9.081 3.924 -1.747 764 HA GLU 95 HA GLU 95 9.695 5.457 0.602 765 HB2 GLU 95 HB2 GLU 95 11.513 3.979 -1.344 766 HB3 GLU 95 HB3 GLU 95 12.042 4.677 0.185 767 HG2 GLU 95 HG2 GLU 95 10.611 3.135 1.426 768 HG3 GLU 95 HG3 GLU 95 9.971 2.477 -0.082 769 H GLU 96 H GLU 96 10.160 5.941 -2.889 770 HA GLU 96 HA GLU 96 12.007 8.072 -2.895 771 HB2 GLU 96 HB2 GLU 96 9.717 7.543 -4.855 772 HB3 GLU 96 HB3 GLU 96 11.026 8.680 -5.145 773 HG2 GLU 96 HG2 GLU 96 11.389 5.696 -4.795 774 HG3 GLU 96 HG3 GLU 96 11.245 6.507 -6.348 775 H TRP 97 H TRP 97 8.497 8.004 -2.834 776 HA TRP 97 HA TRP 97 8.013 10.795 -2.721 777 HB2 TRP 97 HB2 TRP 97 6.230 8.479 -1.859 778 HB3 TRP 97 HB3 TRP 97 5.696 10.118 -2.200 779 HD1 TRP 97 HD1 TRP 97 7.489 10.412 -4.949 780 HE1 TRP 97 HE1 TRP 97 6.664 9.197 -7.049 781 HE3 TRP 97 HE3 TRP 97 4.395 7.000 -2.756 782 HZ2 TRP 97 HZ2 TRP 97 4.933 7.090 -7.709 783 HZ3 TRP 97 HZ3 TRP 97 3.174 5.425 -4.197 784 HH2 TRP 97 HH2 TRP 97 3.443 5.478 -6.624 785 H LEU 98 H LEU 98 8.376 8.250 -0.296 786 HA LEU 98 HA LEU 98 7.671 9.712 1.995 787 HB2 LEU 98 HB2 LEU 98 7.881 7.222 1.880 788 HB3 LEU 98 HB3 LEU 98 9.626 7.392 1.764 789 HG LEU 98 HG LEU 98 9.698 8.377 4.046 790 HD11 LEU 98 HD11 LEU 98 7.536 9.482 4.092 791 HD12 LEU 98 HD12 LEU 98 7.691 8.392 5.467 792 HD13 LEU 98 HD13 LEU 98 6.703 7.923 4.081 793 HD21 LEU 98 HD21 LEU 98 9.165 6.359 5.322 794 HD22 LEU 98 HD22 LEU 98 9.954 5.942 3.803 795 HD23 LEU 98 HD23 LEU 98 8.209 5.730 3.975 796 H GLN 99 H GLN 99 10.754 9.403 0.251 797 HA GLN 99 HA GLN 99 12.332 10.887 2.147 798 HB2 GLN 99 HB2 GLN 99 12.878 10.195 -0.773 799 HB3 GLN 99 HB3 GLN 99 14.051 10.937 0.311 800 HG2 GLN 99 HG2 GLN 99 12.834 8.179 0.629 801 HG3 GLN 99 HG3 GLN 99 14.459 8.534 0.053 802 HE21 GLN 99 HE21 GLN 99 13.667 6.896 2.309 803 HE22 GLN 99 HE22 GLN 99 14.410 7.585 3.712 804 H ALA 100 H ALA 100 10.411 11.682 -0.696 805 HA ALA 100 HA ALA 100 11.263 14.361 -1.097 806 HB1 ALA 100 HB1 ALA 100 9.985 13.121 -2.801 807 HB2 ALA 100 HB2 ALA 100 9.166 14.627 -2.383 808 HB3 ALA 100 HB3 ALA 100 8.571 13.092 -1.742 809 H GLU 101 H GLU 101 8.873 12.869 1.023 810 HA GLU 101 HA GLU 101 7.805 15.324 2.096 811 HB2 GLU 101 HB2 GLU 101 7.609 12.462 3.122 812 HB3 GLU 101 HB3 GLU 101 6.646 13.820 3.697 813 HG2 GLU 101 HG2 GLU 101 6.578 12.684 0.886 814 HG3 GLU 101 HG3 GLU 101 5.410 12.329 2.155 815 H GLN 102 H GLN 102 10.137 12.857 3.168 816 HA GLN 102 HA GLN 102 10.778 14.273 5.650 817 HB2 GLN 102 HB2 GLN 102 11.792 11.630 4.513 818 HB3 GLN 102 HB3 GLN 102 12.297 12.291 6.064 819 HG2 GLN 102 HG2 GLN 102 9.896 12.178 6.815 820 HG3 GLN 102 HG3 GLN 102 9.512 11.355 5.299 821 HE21 GLN 102 HE21 GLN 102 8.857 9.451 6.400 822 HE22 GLN 102 HE22 GLN 102 9.997 8.383 7.138 823 H ASN 103 H ASN 103 11.456 15.448 3.001 824 HA ASN 103 HA ASN 103 14.283 15.410 2.635 825 HB2 ASN 103 HB2 ASN 103 12.734 16.093 0.832 826 HB3 ASN 103 HB3 ASN 103 12.200 17.473 1.783 827 HD21 ASN 103 HD21 ASN 103 13.632 19.250 2.041 828 HD22 ASN 103 HD22 ASN 103 14.964 19.496 0.968 829 H ASN 104 H ASN 104 15.430 15.856 4.470 830 HA ASN 104 HA ASN 104 15.559 18.527 5.537 831 HB2 ASN 104 HB2 ASN 104 13.632 17.628 6.840 832 HB3 ASN 104 HB3 ASN 104 14.594 16.248 7.350 833 HD21 ASN 104 HD21 ASN 104 16.202 16.561 8.941 834 HD22 ASN 104 HD22 ASN 104 16.248 17.979 9.928 Start of MODEL 6 1 H1 ALA 1 H1 ALA 1 -17.142 -13.542 5.051 2 H2 ALA 1 H2 ALA 1 -16.509 -14.835 5.928 3 H3 ALA 1 H3 ALA 1 -15.850 -14.428 4.431 4 HA ALA 1 HA ALA 1 -15.813 -12.757 6.856 5 HB1 ALA 1 HB1 ALA 1 -13.548 -14.263 5.512 6 HB2 ALA 1 HB2 ALA 1 -14.333 -14.712 7.026 7 HB3 ALA 1 HB3 ALA 1 -13.404 -13.217 6.931 8 H ASP 2 H ASP 2 -15.131 -13.061 3.401 9 HA ASP 2 HA ASP 2 -13.444 -10.757 3.204 10 HB2 ASP 2 HB2 ASP 2 -13.276 -11.280 0.858 11 HB3 ASP 2 HB3 ASP 2 -13.247 -12.789 1.755 12 H GLU 3 H GLU 3 -16.733 -10.824 3.592 13 HA GLU 3 HA GLU 3 -17.637 -8.822 1.803 14 HB2 GLU 3 HB2 GLU 3 -18.646 -9.671 4.544 15 HB3 GLU 3 HB3 GLU 3 -19.493 -8.513 3.516 16 HG2 GLU 3 HG2 GLU 3 -19.785 -10.207 1.775 17 HG3 GLU 3 HG3 GLU 3 -18.834 -11.364 2.699 18 H ASN 4 H ASN 4 -15.746 -8.633 4.746 19 HA ASN 4 HA ASN 4 -16.101 -5.887 5.340 20 HB2 ASN 4 HB2 ASN 4 -14.055 -6.058 6.678 21 HB3 ASN 4 HB3 ASN 4 -15.054 -7.482 6.929 22 HD21 ASN 4 HD21 ASN 4 -12.215 -7.134 7.392 23 HD22 ASN 4 HD22 ASN 4 -11.413 -8.335 6.449 24 H ILE 5 H ILE 5 -14.015 -7.554 3.041 25 HA ILE 5 HA ILE 5 -12.364 -5.392 2.207 26 HB ILE 5 HB ILE 5 -13.240 -7.877 0.653 27 HG12 ILE 5 HG12 ILE 5 -10.703 -7.426 2.305 28 HG13 ILE 5 HG13 ILE 5 -12.072 -8.416 2.800 29 HG21 ILE 5 HG21 ILE 5 -11.237 -7.502 -0.759 30 HG22 ILE 5 HG22 ILE 5 -10.914 -5.997 0.101 31 HG23 ILE 5 HG23 ILE 5 -12.375 -6.155 -0.873 32 HD11 ILE 5 HD11 ILE 5 -10.250 -8.938 0.457 33 HD12 ILE 5 HD12 ILE 5 -11.655 -9.913 0.895 34 HD13 ILE 5 HD13 ILE 5 -10.280 -9.804 1.995 35 H ALA 6 H ALA 6 -15.397 -6.779 0.942 36 HA ALA 6 HA ALA 6 -15.868 -5.140 -1.253 37 HB1 ALA 6 HB1 ALA 6 -17.150 -7.185 -0.777 38 HB2 ALA 6 HB2 ALA 6 -18.228 -5.814 -1.046 39 HB3 ALA 6 HB3 ALA 6 -17.926 -6.394 0.595 40 H LYS 7 H LYS 7 -16.632 -4.637 2.155 41 HA LYS 7 HA LYS 7 -18.127 -2.264 2.048 42 HB2 LYS 7 HB2 LYS 7 -17.950 -3.654 4.070 43 HB3 LYS 7 HB3 LYS 7 -16.228 -3.318 4.179 44 HG2 LYS 7 HG2 LYS 7 -16.882 -0.840 4.467 45 HG3 LYS 7 HG3 LYS 7 -18.536 -1.419 4.688 46 HD2 LYS 7 HD2 LYS 7 -17.442 -1.066 6.864 47 HD3 LYS 7 HD3 LYS 7 -17.796 -2.782 6.631 48 HE2 LYS 7 HE2 LYS 7 -15.454 -3.221 6.042 49 HE3 LYS 7 HE3 LYS 7 -15.076 -1.498 6.127 50 HZ1 LYS 7 HZ1 LYS 7 -14.386 -2.670 8.116 51 HZ2 LYS 7 HZ2 LYS 7 -15.971 -3.174 8.409 52 HZ3 LYS 7 HZ3 LYS 7 -15.581 -1.533 8.480 53 H PHE 8 H PHE 8 -14.567 -2.754 2.321 54 HA PHE 8 HA PHE 8 -13.838 -0.005 2.489 55 HB2 PHE 8 HB2 PHE 8 -12.184 -2.340 1.435 56 HB3 PHE 8 HB3 PHE 8 -11.542 -0.761 1.874 57 HD1 PHE 8 HD1 PHE 8 -12.683 -0.125 4.452 58 HD2 PHE 8 HD2 PHE 8 -11.422 -3.939 2.965 59 HE1 PHE 8 HE1 PHE 8 -12.279 -0.900 6.752 60 HE2 PHE 8 HE2 PHE 8 -11.033 -4.703 5.273 61 HZ PHE 8 HZ PHE 8 -11.459 -3.184 7.163 62 H GLU 9 H GLU 9 -14.410 -2.172 -0.225 63 HA GLU 9 HA GLU 9 -13.389 -0.487 -2.312 64 HB2 GLU 9 HB2 GLU 9 -15.350 -2.820 -2.477 65 HB3 GLU 9 HB3 GLU 9 -14.510 -2.084 -3.842 66 HG2 GLU 9 HG2 GLU 9 -12.341 -2.776 -2.904 67 HG3 GLU 9 HG3 GLU 9 -13.164 -3.504 -1.526 68 H LYS 10 H LYS 10 -16.539 -0.889 -0.791 69 HA LYS 10 HA LYS 10 -18.032 0.831 -2.558 70 HB2 LYS 10 HB2 LYS 10 -18.592 -0.215 0.258 71 HB3 LYS 10 HB3 LYS 10 -19.741 0.751 -0.666 72 HG2 LYS 10 HG2 LYS 10 -19.978 -0.977 -2.345 73 HG3 LYS 10 HG3 LYS 10 -18.642 -1.902 -1.651 74 HD2 LYS 10 HD2 LYS 10 -20.820 -2.899 -1.042 75 HD3 LYS 10 HD3 LYS 10 -19.954 -2.332 0.386 76 HE2 LYS 10 HE2 LYS 10 -21.378 -0.327 0.477 77 HE3 LYS 10 HE3 LYS 10 -22.214 -0.834 -0.994 78 HZ1 LYS 10 HZ1 LYS 10 -22.995 -2.791 0.180 79 HZ2 LYS 10 HZ2 LYS 10 -23.481 -1.383 0.972 80 HZ3 LYS 10 HZ3 LYS 10 -22.200 -2.301 1.588 81 H ALA 11 H ALA 11 -16.342 1.183 0.515 82 HA ALA 11 HA ALA 11 -16.991 3.874 1.129 83 HB1 ALA 11 HB1 ALA 11 -15.103 3.733 2.710 84 HB2 ALA 11 HB2 ALA 11 -14.547 2.246 1.934 85 HB3 ALA 11 HB3 ALA 11 -16.092 2.273 2.787 86 H TYR 12 H TYR 12 -14.534 2.369 -0.871 87 HA TYR 12 HA TYR 12 -13.271 4.890 -1.587 88 HB2 TYR 12 HB2 TYR 12 -12.185 2.447 -1.447 89 HB3 TYR 12 HB3 TYR 12 -12.778 2.308 -3.099 90 HD1 TYR 12 HD1 TYR 12 -12.268 4.861 -4.378 91 HD2 TYR 12 HD2 TYR 12 -9.906 2.859 -1.441 92 HE1 TYR 12 HE1 TYR 12 -10.272 6.062 -5.159 93 HE2 TYR 12 HE2 TYR 12 -7.921 4.030 -2.229 94 HH TYR 12 HH TYR 12 -7.149 5.150 -4.351 95 H LYS 13 H LYS 13 -14.456 6.186 -2.885 96 HA LYS 13 HA LYS 13 -16.258 5.035 -4.918 97 HB2 LYS 13 HB2 LYS 13 -16.093 7.822 -3.702 98 HB3 LYS 13 HB3 LYS 13 -17.197 7.380 -5.003 99 HG2 LYS 13 HG2 LYS 13 -18.182 5.621 -3.488 100 HG3 LYS 13 HG3 LYS 13 -17.173 6.252 -2.182 101 HD2 LYS 13 HD2 LYS 13 -18.304 8.430 -2.327 102 HD3 LYS 13 HD3 LYS 13 -19.252 7.871 -3.708 103 HE2 LYS 13 HE2 LYS 13 -20.298 6.136 -2.248 104 HE3 LYS 13 HE3 LYS 13 -19.405 6.793 -0.871 105 HZ1 LYS 13 HZ1 LYS 13 -21.397 8.266 -2.507 106 HZ2 LYS 13 HZ2 LYS 13 -20.547 8.898 -1.192 107 HZ3 LYS 13 HZ3 LYS 13 -21.650 7.644 -0.958 108 H LYS 14 H LYS 14 -13.892 7.735 -4.656 109 HA LYS 14 HA LYS 14 -12.746 7.275 -7.237 110 HB2 LYS 14 HB2 LYS 14 -14.991 8.191 -7.920 111 HB3 LYS 14 HB3 LYS 14 -14.694 9.636 -6.967 112 HG2 LYS 14 HG2 LYS 14 -14.348 10.174 -9.282 113 HG3 LYS 14 HG3 LYS 14 -12.767 10.174 -8.494 114 HD2 LYS 14 HD2 LYS 14 -12.269 7.966 -9.419 115 HD3 LYS 14 HD3 LYS 14 -13.888 7.855 -10.114 116 HE2 LYS 14 HE2 LYS 14 -13.381 9.777 -11.587 117 HE3 LYS 14 HE3 LYS 14 -11.760 9.878 -10.894 118 HZ1 LYS 14 HZ1 LYS 14 -11.691 8.705 -12.955 119 HZ2 LYS 14 HZ2 LYS 14 -12.873 7.614 -12.455 120 HZ3 LYS 14 HZ3 LYS 14 -11.353 7.612 -11.713 121 H ALA 15 H ALA 15 -10.827 7.459 -5.861 122 HA ALA 15 HA ALA 15 -10.074 10.277 -5.276 123 HB1 ALA 15 HB1 ALA 15 -8.964 7.798 -3.924 124 HB2 ALA 15 HB2 ALA 15 -10.093 8.944 -3.207 125 HB3 ALA 15 HB3 ALA 15 -8.458 9.465 -3.624 126 H GLU 16 H GLU 16 -8.699 11.035 -6.625 127 HA GLU 16 HA GLU 16 -6.383 9.578 -7.623 128 HB2 GLU 16 HB2 GLU 16 -8.644 10.656 -9.365 129 HB3 GLU 16 HB3 GLU 16 -6.998 10.704 -9.985 130 HG2 GLU 16 HG2 GLU 16 -6.839 8.384 -10.182 131 HG3 GLU 16 HG3 GLU 16 -8.011 8.085 -8.905 132 H GLU 17 H GLU 17 -5.861 11.899 -9.457 133 HA GLU 17 HA GLU 17 -4.638 13.605 -7.458 134 HB2 GLU 17 HB2 GLU 17 -4.487 13.822 -10.496 135 HB3 GLU 17 HB3 GLU 17 -3.459 14.649 -9.329 136 HG2 GLU 17 HG2 GLU 17 -2.663 12.366 -8.564 137 HG3 GLU 17 HG3 GLU 17 -3.536 11.687 -9.939 138 H LEU 18 H LEU 18 -6.941 14.189 -6.789 139 HA LEU 18 HA LEU 18 -7.707 16.788 -8.016 140 HB2 LEU 18 HB2 LEU 18 -9.509 14.767 -6.566 141 HB3 LEU 18 HB3 LEU 18 -10.001 16.401 -6.958 142 HG LEU 18 HG LEU 18 -11.051 15.055 -8.596 143 HD11 LEU 18 HD11 LEU 18 -10.002 17.042 -9.590 144 HD12 LEU 18 HD12 LEU 18 -10.099 15.719 -10.750 145 HD13 LEU 18 HD13 LEU 18 -8.558 16.102 -9.975 146 HD21 LEU 18 HD21 LEU 18 -9.868 12.940 -8.238 147 HD22 LEU 18 HD22 LEU 18 -8.447 13.560 -9.081 148 HD23 LEU 18 HD23 LEU 18 -9.956 13.316 -9.960 149 H ASN 19 H ASN 19 -9.223 17.791 -5.932 150 HA ASN 19 HA ASN 19 -7.280 18.133 -3.748 151 HB2 ASN 19 HB2 ASN 19 -9.868 19.593 -4.440 152 HB3 ASN 19 HB3 ASN 19 -8.956 19.907 -2.970 153 HD21 ASN 19 HD21 ASN 19 -8.981 20.266 -6.427 154 HD22 ASN 19 HD22 ASN 19 -7.659 21.370 -6.523 155 H GLN 20 H GLN 20 -8.721 15.600 -4.109 156 HA GLN 20 HA GLN 20 -9.816 15.284 -1.397 157 HB2 GLN 20 HB2 GLN 20 -11.488 13.676 -2.221 158 HB3 GLN 20 HB3 GLN 20 -11.727 15.243 -2.991 159 HG2 GLN 20 HG2 GLN 20 -10.614 14.428 -5.028 160 HG3 GLN 20 HG3 GLN 20 -10.342 12.860 -4.271 161 HE21 GLN 20 HE21 GLN 20 -11.802 13.490 -6.704 162 HE22 GLN 20 HE22 GLN 20 -13.400 12.883 -6.477 163 H GLY 21 H GLY 21 -9.468 13.153 -0.543 164 HA2 GLY 21 HA2 GLY 21 -8.257 10.954 -1.631 165 HA3 GLY 21 HA3 GLY 21 -6.915 12.025 -1.245 166 H GLU 22 H GLU 22 -8.426 13.142 1.074 167 HA GLU 22 HA GLU 22 -7.572 11.375 3.133 168 HB2 GLU 22 HB2 GLU 22 -9.386 13.822 3.244 169 HB3 GLU 22 HB3 GLU 22 -8.690 13.032 4.656 170 HG2 GLU 22 HG2 GLU 22 -6.437 13.639 3.952 171 HG3 GLU 22 HG3 GLU 22 -7.046 14.289 2.431 172 H LEU 23 H LEU 23 -10.635 11.896 1.517 173 HA LEU 23 HA LEU 23 -12.398 10.559 3.307 174 HB2 LEU 23 HB2 LEU 23 -12.648 10.887 0.281 175 HB3 LEU 23 HB3 LEU 23 -13.953 10.437 1.369 176 HG LEU 23 HG LEU 23 -12.527 13.117 1.365 177 HD11 LEU 23 HD11 LEU 23 -15.306 12.452 0.369 178 HD12 LEU 23 HD12 LEU 23 -13.910 12.867 -0.631 179 HD13 LEU 23 HD13 LEU 23 -14.590 14.063 0.468 180 HD21 LEU 23 HD21 LEU 23 -14.902 12.216 3.010 181 HD22 LEU 23 HD22 LEU 23 -14.265 13.860 2.935 182 HD23 LEU 23 HD23 LEU 23 -13.278 12.568 3.609 183 H MET 24 H MET 24 -10.312 9.485 0.709 184 HA MET 24 HA MET 24 -11.054 6.637 1.102 185 HB2 MET 24 HB2 MET 24 -10.615 8.155 -1.519 186 HB3 MET 24 HB3 MET 24 -10.717 6.402 -1.415 187 HG2 MET 24 HG2 MET 24 -13.000 6.419 -1.003 188 HG3 MET 24 HG3 MET 24 -12.971 8.027 -0.283 189 HE1 MET 24 HE1 MET 24 -12.834 10.388 -3.354 190 HE2 MET 24 HE2 MET 24 -11.467 9.845 -2.382 191 HE3 MET 24 HE3 MET 24 -12.994 10.276 -1.602 192 H GLY 25 H GLY 25 -8.935 6.055 -1.064 193 HA2 GLY 25 HA2 GLY 25 -6.644 5.839 -1.274 194 HA3 GLY 25 HA3 GLY 25 -6.415 6.981 0.044 195 H ARG 26 H ARG 26 -7.156 6.126 2.202 196 HA ARG 26 HA ARG 26 -5.626 3.929 3.011 197 HB2 ARG 26 HB2 ARG 26 -7.891 5.364 4.466 198 HB3 ARG 26 HB3 ARG 26 -6.783 4.224 5.229 199 HG2 ARG 26 HG2 ARG 26 -4.877 5.731 4.622 200 HG3 ARG 26 HG3 ARG 26 -6.036 6.891 3.980 201 HD2 ARG 26 HD2 ARG 26 -7.008 7.164 6.236 202 HD3 ARG 26 HD3 ARG 26 -5.863 5.975 6.874 203 HE ARG 26 HE ARG 26 -4.477 8.099 5.566 204 HH11 ARG 26 HH11 ARG 26 -6.210 7.426 8.568 205 HH12 ARG 26 HH12 ARG 26 -5.341 8.631 9.467 206 HH21 ARG 26 HH21 ARG 26 -3.363 9.655 6.745 207 HH22 ARG 26 HH22 ARG 26 -3.716 9.901 8.425 208 H ALA 27 H ALA 27 -8.920 4.079 1.869 209 HA ALA 27 HA ALA 27 -9.968 1.688 2.842 210 HB1 ALA 27 HB1 ALA 27 -11.323 3.369 1.687 211 HB2 ALA 27 HB2 ALA 27 -11.535 1.775 0.959 212 HB3 ALA 27 HB3 ALA 27 -10.523 2.986 0.166 213 H LEU 28 H LEU 28 -8.054 2.233 -0.179 214 HA LEU 28 HA LEU 28 -7.952 -0.462 -1.000 215 HB2 LEU 28 HB2 LEU 28 -6.107 1.866 -1.572 216 HB3 LEU 28 HB3 LEU 28 -5.748 0.257 -2.187 217 HG LEU 28 HG LEU 28 -8.235 1.869 -2.848 218 HD11 LEU 28 HD11 LEU 28 -7.286 2.079 -5.095 219 HD12 LEU 28 HD12 LEU 28 -5.832 1.228 -4.568 220 HD13 LEU 28 HD13 LEU 28 -6.228 2.805 -3.884 221 HD21 LEU 28 HD21 LEU 28 -7.368 -0.816 -3.938 222 HD22 LEU 28 HD22 LEU 28 -8.754 0.127 -4.484 223 HD23 LEU 28 HD23 LEU 28 -8.728 -0.530 -2.851 224 H TYR 29 H TYR 29 -5.935 1.401 1.221 225 HA TYR 29 HA TYR 29 -3.782 -0.342 1.566 226 HB2 TYR 29 HB2 TYR 29 -3.761 1.965 2.451 227 HB3 TYR 29 HB3 TYR 29 -5.023 1.558 3.611 228 HD1 TYR 29 HD2 TYR 29 -1.626 0.390 2.568 229 HD2 TYR 29 HD1 TYR 29 -4.318 0.995 5.824 230 HE1 TYR 29 HE2 TYR 29 0.099 -0.333 4.127 231 HE2 TYR 29 HE1 TYR 29 -2.577 0.240 7.391 232 HH TYR 29 HH TYR 29 0.688 -0.281 6.357 233 H ASN 30 H ASN 30 -6.899 -0.215 3.310 234 HA ASN 30 HA ASN 30 -6.351 -2.331 5.133 235 HB2 ASN 30 HB2 ASN 30 -9.015 -1.189 4.198 236 HB3 ASN 30 HB3 ASN 30 -8.858 -2.361 5.499 237 HD21 ASN 30 HD21 ASN 30 -8.779 0.945 4.702 238 HD22 ASN 30 HD22 ASN 30 -8.269 1.543 6.242 239 H ILE 31 H ILE 31 -7.763 -2.278 1.884 240 HA ILE 31 HA ILE 31 -8.644 -4.973 1.719 241 HB ILE 31 HB ILE 31 -7.669 -3.103 -0.499 242 HG12 ILE 31 HG12 ILE 31 -10.550 -3.656 0.351 243 HG13 ILE 31 HG13 ILE 31 -9.624 -2.265 0.902 244 HG21 ILE 31 HG21 ILE 31 -8.971 -4.514 -2.059 245 HG22 ILE 31 HG22 ILE 31 -9.350 -5.622 -0.741 246 HG23 ILE 31 HG23 ILE 31 -7.683 -5.435 -1.276 247 HD11 ILE 31 HD11 ILE 31 -10.360 -2.876 -1.953 248 HD12 ILE 31 HD12 ILE 31 -9.417 -1.489 -1.402 249 HD13 ILE 31 HD13 ILE 31 -11.100 -1.665 -0.906 250 H GLY 32 H GLY 32 -5.547 -3.375 1.123 251 HA2 GLY 32 HA2 GLY 32 -4.091 -5.520 -0.009 252 HA3 GLY 32 HA3 GLY 32 -3.411 -4.100 0.775 253 H LEU 33 H LEU 33 -4.457 -4.387 3.353 254 HA LEU 33 HA LEU 33 -2.669 -6.132 4.638 255 HB2 LEU 33 HB2 LEU 33 -5.276 -4.960 5.684 256 HB3 LEU 33 HB3 LEU 33 -4.037 -5.689 6.694 257 HG LEU 33 HG LEU 33 -3.729 -3.124 5.069 258 HD11 LEU 33 HD11 LEU 33 -3.614 -1.991 7.255 259 HD12 LEU 33 HD12 LEU 33 -3.940 -3.520 8.073 260 HD13 LEU 33 HD13 LEU 33 -5.163 -2.801 7.022 261 HD21 LEU 33 HD21 LEU 33 -1.534 -2.864 6.155 262 HD22 LEU 33 HD22 LEU 33 -1.588 -4.323 5.167 263 HD23 LEU 33 HD23 LEU 33 -1.713 -4.444 6.923 264 H GLU 34 H GLU 34 -6.022 -6.561 3.626 265 HA GLU 34 HA GLU 34 -6.497 -9.086 4.843 266 HB2 GLU 34 HB2 GLU 34 -7.853 -7.766 2.461 267 HB3 GLU 34 HB3 GLU 34 -8.455 -9.207 3.271 268 HG2 GLU 34 HG2 GLU 34 -8.175 -6.443 4.484 269 HG3 GLU 34 HG3 GLU 34 -9.678 -7.237 4.021 270 H LYS 35 H LYS 35 -5.478 -8.154 1.545 271 HA LYS 35 HA LYS 35 -5.381 -10.725 0.388 272 HB2 LYS 35 HB2 LYS 35 -3.793 -8.221 -0.282 273 HB3 LYS 35 HB3 LYS 35 -3.801 -9.663 -1.289 274 HG2 LYS 35 HG2 LYS 35 -6.171 -7.858 -0.706 275 HG3 LYS 35 HG3 LYS 35 -5.258 -7.964 -2.211 276 HD2 LYS 35 HD2 LYS 35 -5.985 -10.421 -2.328 277 HD3 LYS 35 HD3 LYS 35 -7.108 -10.059 -1.015 278 HE2 LYS 35 HE2 LYS 35 -7.072 -8.778 -3.769 279 HE3 LYS 35 HE3 LYS 35 -8.255 -9.940 -3.175 280 HZ1 LYS 35 HZ1 LYS 35 -9.077 -8.352 -1.641 281 HZ2 LYS 35 HZ2 LYS 35 -9.002 -7.608 -3.156 282 HZ3 LYS 35 HZ3 LYS 35 -7.831 -7.263 -1.985 283 H ASN 36 H ASN 36 -3.072 -8.958 2.349 284 HA ASN 36 HA ASN 36 -0.715 -10.440 1.762 285 HB2 ASN 36 HB2 ASN 36 -0.907 -8.076 2.827 286 HB3 ASN 36 HB3 ASN 36 -1.218 -8.902 4.351 287 HD21 ASN 36 HD21 ASN 36 0.628 -8.196 5.351 288 HD22 ASN 36 HD22 ASN 36 2.230 -8.640 4.872 289 H LYS 37 H LYS 37 -3.153 -10.667 4.365 290 HA LYS 37 HA LYS 37 -2.034 -12.800 5.868 291 HB2 LYS 37 HB2 LYS 37 -4.963 -12.072 5.452 292 HB3 LYS 37 HB3 LYS 37 -4.390 -13.223 6.656 293 HG2 LYS 37 HG2 LYS 37 -3.167 -11.414 7.806 294 HG3 LYS 37 HG3 LYS 37 -3.760 -10.255 6.611 295 HD2 LYS 37 HD2 LYS 37 -5.493 -11.891 8.521 296 HD3 LYS 37 HD3 LYS 37 -5.136 -10.171 8.666 297 HE2 LYS 37 HE2 LYS 37 -6.324 -9.731 6.544 298 HE3 LYS 37 HE3 LYS 37 -6.659 -11.455 6.363 299 HZ1 LYS 37 HZ1 LYS 37 -8.564 -10.315 7.236 300 HZ2 LYS 37 HZ2 LYS 37 -7.669 -9.683 8.514 301 HZ3 LYS 37 HZ3 LYS 37 -7.950 -11.345 8.429 302 H MET 38 H MET 38 -4.194 -12.712 3.081 303 HA MET 38 HA MET 38 -4.718 -15.557 3.055 304 HB2 MET 38 HB2 MET 38 -5.485 -13.356 1.080 305 HB3 MET 38 HB3 MET 38 -6.085 -15.013 1.036 306 HG2 MET 38 HG2 MET 38 -7.071 -14.678 3.304 307 HG3 MET 38 HG3 MET 38 -6.555 -12.994 3.242 308 HE1 MET 38 HE1 MET 38 -7.179 -12.128 0.221 309 HE2 MET 38 HE2 MET 38 -7.665 -11.156 1.612 310 HE3 MET 38 HE3 MET 38 -8.844 -11.568 0.369 311 H GLY 39 H GLY 39 -2.063 -13.791 2.106 312 HA2 GLY 39 HA2 GLY 39 -0.117 -15.003 1.522 313 HA3 GLY 39 HA3 GLY 39 -1.090 -16.125 0.588 314 H LYS 40 H LYS 40 -2.532 -13.644 -0.556 315 HA LYS 40 HA LYS 40 -0.832 -13.481 -2.903 316 HB2 LYS 40 HB2 LYS 40 -3.561 -12.217 -2.402 317 HB3 LYS 40 HB3 LYS 40 -2.755 -12.385 -3.961 318 HG2 LYS 40 HG2 LYS 40 -2.856 -14.891 -3.662 319 HG3 LYS 40 HG3 LYS 40 -3.837 -14.628 -2.220 320 HD2 LYS 40 HD2 LYS 40 -4.565 -13.747 -5.037 321 HD3 LYS 40 HD3 LYS 40 -5.212 -15.168 -4.216 322 HE2 LYS 40 HE2 LYS 40 -6.366 -13.797 -2.594 323 HE3 LYS 40 HE3 LYS 40 -5.552 -12.335 -3.171 324 HZ1 LYS 40 HZ1 LYS 40 -6.698 -12.514 -5.251 325 HZ2 LYS 40 HZ2 LYS 40 -7.840 -12.567 -4.005 326 HZ3 LYS 40 HZ3 LYS 40 -7.397 -13.986 -4.806 327 H ALA 41 H ALA 41 0.909 -12.325 -1.877 328 HA ALA 41 HA ALA 41 0.425 -9.678 -0.800 329 HB1 ALA 41 HB1 ALA 41 2.778 -9.703 -0.176 330 HB2 ALA 41 HB2 ALA 41 3.020 -11.196 -1.087 331 HB3 ALA 41 HB3 ALA 41 1.969 -11.189 0.330 332 H ARG 42 H ARG 42 1.010 -10.841 -3.970 333 HA ARG 42 HA ARG 42 2.167 -8.417 -5.015 334 HB2 ARG 42 HB2 ARG 42 0.635 -10.684 -6.338 335 HB3 ARG 42 HB3 ARG 42 1.001 -9.206 -7.225 336 HG2 ARG 42 HG2 ARG 42 3.463 -9.661 -6.401 337 HG3 ARG 42 HG3 ARG 42 2.880 -11.313 -6.206 338 HD2 ARG 42 HD2 ARG 42 2.656 -9.718 -8.767 339 HD3 ARG 42 HD3 ARG 42 3.983 -10.813 -8.400 340 HE ARG 42 HE ARG 42 1.954 -12.492 -8.149 341 HH11 ARG 42 HH11 ARG 42 2.426 -10.068 -10.668 342 HH12 ARG 42 HH12 ARG 42 1.569 -10.983 -11.868 343 HH21 ARG 42 HH21 ARG 42 0.870 -13.690 -9.743 344 HH22 ARG 42 HH22 ARG 42 0.691 -13.029 -11.343 345 H GLU 43 H GLU 43 -1.131 -9.677 -4.675 346 HA GLU 43 HA GLU 43 -2.480 -7.354 -5.585 347 HB2 GLU 43 HB2 GLU 43 -3.457 -9.645 -3.832 348 HB3 GLU 43 HB3 GLU 43 -4.500 -8.367 -4.458 349 HG2 GLU 43 HG2 GLU 43 -3.824 -9.026 -6.786 350 HG3 GLU 43 HG3 GLU 43 -2.926 -10.377 -6.096 351 H ALA 44 H ALA 44 -1.423 -8.425 -2.349 352 HA ALA 44 HA ALA 44 -2.367 -6.286 -0.806 353 HB1 ALA 44 HB1 ALA 44 -0.554 -6.809 0.773 354 HB2 ALA 44 HB2 ALA 44 0.251 -7.787 -0.460 355 HB3 ALA 44 HB3 ALA 44 -1.316 -8.282 0.179 356 H ALA 45 H ALA 45 0.677 -6.650 -2.584 357 HA ALA 45 HA ALA 45 1.966 -4.278 -1.926 358 HB1 ALA 45 HB1 ALA 45 3.071 -6.191 -3.005 359 HB2 ALA 45 HB2 ALA 45 3.364 -4.704 -3.907 360 HB3 ALA 45 HB3 ALA 45 2.186 -5.883 -4.497 361 H GLU 46 H GLU 46 -0.221 -4.942 -4.708 362 HA GLU 46 HA GLU 46 0.168 -2.379 -5.928 363 HB2 GLU 46 HB2 GLU 46 -1.607 -3.020 -7.491 364 HB3 GLU 46 HB3 GLU 46 -0.448 -4.322 -7.276 365 HG2 GLU 46 HG2 GLU 46 -2.022 -5.434 -5.717 366 HG3 GLU 46 HG3 GLU 46 -3.200 -4.161 -6.029 367 H TYR 47 H TYR 47 -2.212 -3.643 -3.637 368 HA TYR 47 HA TYR 47 -3.946 -1.358 -3.738 369 HB2 TYR 47 HB2 TYR 47 -3.592 -3.524 -1.630 370 HB3 TYR 47 HB3 TYR 47 -4.777 -2.229 -1.485 371 HD1 TYR 47 HD1 TYR 47 -5.943 -1.947 -4.134 372 HD2 TYR 47 HD2 TYR 47 -4.775 -5.512 -2.099 373 HE1 TYR 47 HE1 TYR 47 -7.570 -3.241 -5.440 374 HE2 TYR 47 HE2 TYR 47 -6.389 -6.786 -3.410 375 HH TYR 47 HH TYR 47 -7.813 -5.693 -6.159 376 H PHE 48 H PHE 48 -1.121 -2.234 -1.785 377 HA PHE 48 HA PHE 48 -1.132 0.035 -0.072 378 HB2 PHE 48 HB2 PHE 48 1.213 -1.697 -0.962 379 HB3 PHE 48 HB3 PHE 48 1.281 -0.520 0.344 380 HD1 PHE 48 HD1 PHE 48 -1.548 -1.261 1.470 381 HD2 PHE 48 HD2 PHE 48 1.877 -3.584 0.407 382 HE1 PHE 48 HE1 PHE 48 -2.191 -2.956 3.102 383 HE2 PHE 48 HE2 PHE 48 1.215 -5.299 2.044 384 HZ PHE 48 HZ PHE 48 -0.819 -4.990 3.396 385 H PHE 49 H PHE 49 0.050 -0.532 -3.334 386 HA PHE 49 HA PHE 49 1.726 1.788 -3.517 387 HB2 PHE 49 HB2 PHE 49 2.084 -0.240 -4.937 388 HB3 PHE 49 HB3 PHE 49 0.571 0.096 -5.781 389 HD1 PHE 49 HD2 PHE 49 3.537 2.172 -4.734 390 HD2 PHE 49 HD1 PHE 49 1.004 0.955 -7.966 391 HE1 PHE 49 HE2 PHE 49 4.799 3.596 -6.270 392 HE2 PHE 49 HE1 PHE 49 2.291 2.397 -9.499 393 HZ PHE 49 HZ PHE 49 4.209 3.719 -8.649 394 H ARG 50 H ARG 50 -1.462 0.948 -4.864 395 HA ARG 50 HA ARG 50 -1.972 3.424 -6.133 396 HB2 ARG 50 HB2 ARG 50 -3.917 1.304 -5.144 397 HB3 ARG 50 HB3 ARG 50 -4.337 2.624 -6.229 398 HG2 ARG 50 HG2 ARG 50 -2.911 1.704 -7.986 399 HG3 ARG 50 HG3 ARG 50 -2.318 0.453 -6.887 400 HD2 ARG 50 HD2 ARG 50 -4.046 -0.439 -8.417 401 HD3 ARG 50 HD3 ARG 50 -4.578 -0.518 -6.733 402 HE ARG 50 HE ARG 50 -5.394 1.772 -8.380 403 HH11 ARG 50 HH11 ARG 50 -6.402 -1.198 -6.764 404 HH12 ARG 50 HH12 ARG 50 -8.091 -0.814 -6.881 405 HH21 ARG 50 HH21 ARG 50 -7.570 2.283 -8.462 406 HH22 ARG 50 HH22 ARG 50 -8.760 1.173 -7.849 407 H ALA 51 H ALA 51 -2.618 2.202 -2.876 408 HA ALA 51 HA ALA 51 -4.084 4.429 -1.879 409 HB1 ALA 51 HB1 ALA 51 -3.490 3.544 0.344 410 HB2 ALA 51 HB2 ALA 51 -2.316 2.449 -0.395 411 HB3 ALA 51 HB3 ALA 51 -4.039 2.258 -0.729 412 H ALA 52 H ALA 52 -0.607 3.577 -1.882 413 HA ALA 52 HA ALA 52 0.380 5.797 -0.464 414 HB1 ALA 52 HB1 ALA 52 1.847 4.121 -2.529 415 HB2 ALA 52 HB2 ALA 52 1.705 3.759 -0.810 416 HB3 ALA 52 HB3 ALA 52 2.593 5.190 -1.328 417 H ILE 53 H ILE 53 -0.398 5.428 -3.891 418 HA ILE 53 HA ILE 53 0.720 7.798 -4.928 419 HB ILE 53 HB ILE 53 -1.826 6.297 -5.741 420 HG12 ILE 53 HG12 ILE 53 0.921 6.350 -7.082 421 HG13 ILE 53 HG13 ILE 53 0.353 5.051 -6.047 422 HG21 ILE 53 HG21 ILE 53 -1.769 7.562 -7.882 423 HG22 ILE 53 HG22 ILE 53 -0.445 8.545 -7.260 424 HG23 ILE 53 HG23 ILE 53 -2.033 8.631 -6.499 425 HD11 ILE 53 HD11 ILE 53 -0.798 5.858 -8.714 426 HD12 ILE 53 HD12 ILE 53 -1.451 4.593 -7.669 427 HD13 ILE 53 HD13 ILE 53 0.163 4.422 -8.357 428 H VAL 54 H VAL 54 -2.535 7.150 -3.613 429 HA VAL 54 HA VAL 54 -3.575 9.765 -3.821 430 HB VAL 54 HB VAL 54 -4.429 7.510 -1.939 431 HG11 VAL 54 HG11 VAL 54 -5.406 9.667 -1.244 432 HG12 VAL 54 HG12 VAL 54 -6.651 8.609 -1.910 433 HG13 VAL 54 HG13 VAL 54 -6.010 9.938 -2.879 434 HG21 VAL 54 HG21 VAL 54 -5.408 8.187 -4.743 435 HG22 VAL 54 HG22 VAL 54 -6.060 6.916 -3.705 436 HG23 VAL 54 HG23 VAL 54 -4.403 6.804 -4.302 437 H PHE 55 H PHE 55 -1.764 8.130 -1.250 438 HA PHE 55 HA PHE 55 -2.121 10.088 0.788 439 HB2 PHE 55 HB2 PHE 55 0.168 8.096 0.478 440 HB3 PHE 55 HB3 PHE 55 -0.217 8.998 1.943 441 HD1 PHE 55 HD1 PHE 55 -3.353 8.592 1.586 442 HD2 PHE 55 HD2 PHE 55 0.009 5.941 1.572 443 HE1 PHE 55 HE1 PHE 55 -4.784 6.740 2.326 444 HE2 PHE 55 HE2 PHE 55 -1.442 4.106 2.317 445 HZ PHE 55 HZ PHE 55 -3.832 4.500 2.691 446 H TYR 56 H TYR 56 0.508 9.487 -1.544 447 HA TYR 56 HA TYR 56 2.267 11.509 -0.671 448 HB2 TYR 56 HB2 TYR 56 3.063 9.653 -2.043 449 HB3 TYR 56 HB3 TYR 56 2.012 10.127 -3.380 450 HD1 TYR 56 HD2 TYR 56 4.787 11.528 -1.244 451 HD2 TYR 56 HD1 TYR 56 2.956 11.456 -5.114 452 HE1 TYR 56 HE2 TYR 56 6.547 12.972 -2.104 453 HE2 TYR 56 HE1 TYR 56 4.710 12.937 -5.961 454 HH TYR 56 HH TYR 56 6.323 14.611 -5.034 455 H LYS 57 H LYS 57 -0.079 11.489 -3.345 456 HA LYS 57 HA LYS 57 0.271 14.047 -4.371 457 HB2 LYS 57 HB2 LYS 57 -1.989 12.060 -4.373 458 HB3 LYS 57 HB3 LYS 57 -2.367 13.701 -4.885 459 HG2 LYS 57 HG2 LYS 57 -1.870 12.280 -6.801 460 HG3 LYS 57 HG3 LYS 57 -0.687 13.578 -6.644 461 HD2 LYS 57 HD2 LYS 57 0.904 11.941 -5.586 462 HD3 LYS 57 HD3 LYS 57 -0.283 10.664 -5.854 463 HE2 LYS 57 HE2 LYS 57 1.478 10.641 -7.572 464 HE3 LYS 57 HE3 LYS 57 -0.103 10.983 -8.278 465 HZ1 LYS 57 HZ1 LYS 57 0.452 13.283 -8.430 466 HZ2 LYS 57 HZ2 LYS 57 1.704 12.393 -9.129 467 HZ3 LYS 57 HZ3 LYS 57 1.901 13.059 -7.587 468 H GLU 58 H GLU 58 -1.800 12.976 -1.695 469 HA GLU 58 HA GLU 58 -2.724 15.674 -1.140 470 HB2 GLU 58 HB2 GLU 58 -3.280 12.998 0.197 471 HB3 GLU 58 HB3 GLU 58 -3.965 14.518 0.764 472 HG2 GLU 58 HG2 GLU 58 -4.390 13.345 -1.998 473 HG3 GLU 58 HG3 GLU 58 -5.528 13.220 -0.662 474 H HIS 59 H HIS 59 -0.012 13.904 -0.364 475 HA HIS 59 HA HIS 59 1.701 14.026 1.030 476 HB2 HIS 59 HB2 HIS 59 0.724 16.887 1.305 477 HB3 HIS 59 HB3 HIS 59 2.165 16.314 2.150 478 HD1 HIS 59 HD1 HIS 59 4.290 16.017 0.805 479 HD2 HIS 59 HD2 HIS 59 0.988 16.816 -1.588 480 HE1 HIS 59 HE1 HIS 59 5.201 16.380 -1.504 481 HE2 HIS 59 HE2 HIS 59 3.202 16.991 -2.897 482 H ASP 60 H ASP 60 0.210 12.443 2.059 483 HA ASP 60 HA ASP 60 -0.138 13.009 4.944 484 HB2 ASP 60 HB2 ASP 60 -2.249 12.338 3.847 485 HB3 ASP 60 HB3 ASP 60 -1.471 10.921 3.148 486 H THR 61 H THR 61 2.060 12.660 5.354 487 HA THR 61 HA THR 61 3.588 10.473 4.382 488 HB THR 61 HB THR 61 4.363 11.992 6.907 489 HG1 THR 61 HG1 THR 61 4.061 12.967 4.282 490 HG21 THR 61 HG21 THR 61 5.972 11.063 4.485 491 HG22 THR 61 HG22 THR 61 5.943 10.264 6.061 492 HG23 THR 61 HG23 THR 61 6.620 11.885 5.904 493 H ASP 62 H ASP 62 1.465 10.856 7.083 494 HA ASP 62 HA ASP 62 2.156 8.798 8.841 495 HB2 ASP 62 HB2 ASP 62 0.486 10.412 9.504 496 HB3 ASP 62 HB3 ASP 62 -0.524 10.064 8.106 497 H GLY 63 H GLY 63 -0.263 8.749 6.214 498 HA2 GLY 63 HA2 GLY 63 -0.605 5.909 6.197 499 HA3 GLY 63 HA3 GLY 63 -1.202 7.052 5.002 500 H LEU 64 H LEU 64 1.336 8.180 4.285 501 HA LEU 64 HA LEU 64 1.983 6.485 2.132 502 HB2 LEU 64 HB2 LEU 64 2.213 8.924 2.029 503 HB3 LEU 64 HB3 LEU 64 3.464 8.891 3.260 504 HG LEU 64 HG LEU 64 4.951 7.627 1.641 505 HD11 LEU 64 HD11 LEU 64 4.412 7.606 -0.750 506 HD12 LEU 64 HD12 LEU 64 2.799 8.238 -0.412 507 HD13 LEU 64 HD13 LEU 64 3.262 6.635 0.173 508 HD21 LEU 64 HD21 LEU 64 5.202 10.041 1.940 509 HD22 LEU 64 HD22 LEU 64 3.997 10.345 0.686 510 HD23 LEU 64 HD23 LEU 64 5.529 9.574 0.272 511 H ARG 65 H ARG 65 3.715 7.177 5.162 512 HA ARG 65 HA ARG 65 6.053 5.636 4.671 513 HB2 ARG 65 HB2 ARG 65 5.932 7.368 6.452 514 HB3 ARG 65 HB3 ARG 65 4.742 6.407 7.329 515 HG2 ARG 65 HG2 ARG 65 6.489 4.598 7.570 516 HG3 ARG 65 HG3 ARG 65 7.659 5.700 6.843 517 HD2 ARG 65 HD2 ARG 65 7.323 7.290 8.697 518 HD3 ARG 65 HD3 ARG 65 6.120 6.207 9.411 519 HE ARG 65 HE ARG 65 8.733 5.021 8.982 520 HH11 ARG 65 HH11 ARG 65 6.708 6.733 11.294 521 HH12 ARG 65 HH12 ARG 65 7.637 6.206 12.662 522 HH21 ARG 65 HH21 ARG 65 9.942 4.364 10.779 523 HH22 ARG 65 HH22 ARG 65 9.463 4.870 12.371 524 H ARG 66 H ARG 66 2.992 4.969 6.288 525 HA ARG 66 HA ARG 66 3.628 2.381 7.281 526 HB2 ARG 66 HB2 ARG 66 1.993 3.868 8.325 527 HB3 ARG 66 HB3 ARG 66 0.990 3.847 6.880 528 HG2 ARG 66 HG2 ARG 66 0.443 1.505 7.249 529 HG3 ARG 66 HG3 ARG 66 1.545 1.428 8.625 530 HD2 ARG 66 HD2 ARG 66 -0.856 1.646 9.270 531 HD3 ARG 66 HD3 ARG 66 0.158 2.943 9.902 532 HE ARG 66 HE ARG 66 -1.697 3.202 7.591 533 HH11 ARG 66 HH11 ARG 66 -0.009 4.666 10.301 534 HH12 ARG 66 HH12 ARG 66 -0.776 6.211 10.106 535 HH21 ARG 66 HH21 ARG 66 -2.690 5.252 7.340 536 HH22 ARG 66 HH22 ARG 66 -2.288 6.545 8.432 537 H ALA 67 H ALA 67 2.140 3.565 4.322 538 HA ALA 67 HA ALA 67 1.301 1.004 3.284 539 HB1 ALA 67 HB1 ALA 67 0.146 3.063 2.598 540 HB2 ALA 67 HB2 ALA 67 0.827 2.229 1.201 541 HB3 ALA 67 HB3 ALA 67 1.624 3.667 1.849 542 H ALA 68 H ALA 68 4.046 3.191 2.816 543 HA ALA 68 HA ALA 68 5.393 1.856 0.734 544 HB1 ALA 68 HB1 ALA 68 6.544 3.619 2.934 545 HB2 ALA 68 HB2 ALA 68 5.880 4.180 1.399 546 HB3 ALA 68 HB3 ALA 68 7.345 3.203 1.409 547 H LYS 69 H LYS 69 5.638 1.627 4.245 548 HA LYS 69 HA LYS 69 7.806 -0.182 4.416 549 HB2 LYS 69 HB2 LYS 69 7.083 1.272 6.310 550 HB3 LYS 69 HB3 LYS 69 5.573 0.370 6.432 551 HG2 LYS 69 HG2 LYS 69 7.125 -0.362 8.167 552 HG3 LYS 69 HG3 LYS 69 6.851 -1.675 7.017 553 HD2 LYS 69 HD2 LYS 69 9.017 -1.048 5.879 554 HD3 LYS 69 HD3 LYS 69 9.297 0.140 7.155 555 HE2 LYS 69 HE2 LYS 69 9.060 -2.865 7.516 556 HE3 LYS 69 HE3 LYS 69 10.546 -1.921 7.592 557 HZ1 LYS 69 HZ1 LYS 69 8.251 -1.748 9.463 558 HZ2 LYS 69 HZ2 LYS 69 9.623 -0.760 9.524 559 HZ3 LYS 69 HZ3 LYS 69 9.766 -2.426 9.782 560 H SER 70 H SER 70 4.255 -0.629 4.701 561 HA SER 70 HA SER 70 4.304 -3.431 5.016 562 HB2 SER 70 HB2 SER 70 1.867 -3.317 4.491 563 HB3 SER 70 HB3 SER 70 2.361 -2.107 5.673 564 HG SER 70 HG SER 70 2.229 -1.496 2.917 565 H LEU 71 H LEU 71 4.360 -1.396 2.167 566 HA LEU 71 HA LEU 71 3.694 -3.280 0.167 567 HB2 LEU 71 HB2 LEU 71 4.219 -0.568 0.201 568 HB3 LEU 71 HB3 LEU 71 5.678 -1.152 -0.568 569 HG LEU 71 HG LEU 71 2.843 -1.670 -1.565 570 HD11 LEU 71 HD11 LEU 71 3.392 0.671 -1.750 571 HD12 LEU 71 HD12 LEU 71 3.382 -0.071 -3.347 572 HD13 LEU 71 HD13 LEU 71 4.917 0.293 -2.554 573 HD21 LEU 71 HD21 LEU 71 4.347 -3.467 -2.253 574 HD22 LEU 71 HD22 LEU 71 5.483 -2.293 -2.911 575 HD23 LEU 71 HD23 LEU 71 3.887 -2.473 -3.635 576 H LYS 72 H LYS 72 6.818 -2.146 1.446 577 HA LYS 72 HA LYS 72 8.453 -3.862 -0.113 578 HB2 LYS 72 HB2 LYS 72 9.074 -1.622 0.851 579 HB3 LYS 72 HB3 LYS 72 9.139 -2.352 2.444 580 HG2 LYS 72 HG2 LYS 72 10.865 -3.533 0.275 581 HG3 LYS 72 HG3 LYS 72 11.327 -1.973 0.946 582 HD2 LYS 72 HD2 LYS 72 10.902 -4.495 2.603 583 HD3 LYS 72 HD3 LYS 72 12.475 -3.929 2.039 584 HE2 LYS 72 HE2 LYS 72 10.622 -2.355 3.866 585 HE3 LYS 72 HE3 LYS 72 12.007 -3.298 4.406 586 HZ1 LYS 72 HZ1 LYS 72 13.461 -1.864 3.207 587 HZ2 LYS 72 HZ2 LYS 72 12.458 -0.916 4.180 588 HZ3 LYS 72 HZ3 LYS 72 12.167 -1.024 2.520 589 H GLU 73 H GLU 73 7.049 -4.150 3.137 590 HA GLU 73 HA GLU 73 8.372 -6.581 3.862 591 HB2 GLU 73 HB2 GLU 73 5.701 -5.474 4.849 592 HB3 GLU 73 HB3 GLU 73 6.578 -6.805 5.588 593 HG2 GLU 73 HG2 GLU 73 7.421 -3.904 5.477 594 HG3 GLU 73 HG3 GLU 73 6.912 -4.810 6.898 595 H ALA 74 H ALA 74 5.453 -5.777 2.053 596 HA ALA 74 HA ALA 74 4.378 -8.408 1.872 597 HB1 ALA 74 HB1 ALA 74 2.936 -7.504 0.096 598 HB2 ALA 74 HB2 ALA 74 3.902 -6.022 0.046 599 HB3 ALA 74 HB3 ALA 74 2.977 -6.430 1.493 600 H ILE 75 H ILE 75 6.820 -6.634 0.014 601 HA ILE 75 HA ILE 75 6.806 -8.135 -2.364 602 HB ILE 75 HB ILE 75 9.193 -6.717 -1.108 603 HG12 ILE 75 HG12 ILE 75 7.431 -5.111 -1.435 604 HG13 ILE 75 HG13 ILE 75 8.586 -4.863 -2.733 605 HG21 ILE 75 HG21 ILE 75 8.801 -7.632 -3.991 606 HG22 ILE 75 HG22 ILE 75 9.957 -8.293 -2.832 607 HG23 ILE 75 HG23 ILE 75 10.138 -6.637 -3.410 608 HD11 ILE 75 HD11 ILE 75 5.906 -6.235 -2.931 609 HD12 ILE 75 HD12 ILE 75 7.084 -6.125 -4.243 610 HD13 ILE 75 HD13 ILE 75 6.366 -4.659 -3.580 611 H THR 76 H THR 76 8.869 -8.498 0.509 612 HA THR 76 HA THR 76 10.161 -10.909 -0.296 613 HB THR 76 HB THR 76 10.660 -11.059 2.244 614 HG1 THR 76 HG1 THR 76 10.060 -8.469 2.735 615 HG21 THR 76 HG21 THR 76 12.267 -9.198 2.200 616 HG22 THR 76 HG22 THR 76 11.438 -8.486 0.814 617 HG23 THR 76 HG23 THR 76 12.262 -10.038 0.647 618 H ALA 77 H ALA 77 7.121 -10.193 1.264 619 HA ALA 77 HA ALA 77 6.562 -12.887 2.169 620 HB1 ALA 77 HB1 ALA 77 4.416 -11.954 2.894 621 HB2 ALA 77 HB2 ALA 77 4.749 -10.454 2.023 622 HB3 ALA 77 HB3 ALA 77 5.745 -10.913 3.404 623 H ILE 78 H ILE 78 6.345 -11.362 -0.885 624 HA ILE 78 HA ILE 78 4.015 -12.596 -1.951 625 HB ILE 78 HB ILE 78 6.534 -11.737 -3.463 626 HG12 ILE 78 HG12 ILE 78 3.912 -10.206 -3.122 627 HG13 ILE 78 HG13 ILE 78 5.390 -9.862 -2.245 628 HG21 ILE 78 HG21 ILE 78 5.197 -13.326 -4.775 629 HG22 ILE 78 HG22 ILE 78 5.089 -11.713 -5.475 630 HG23 ILE 78 HG23 ILE 78 3.748 -12.347 -4.519 631 HD11 ILE 78 HD11 ILE 78 6.502 -9.260 -4.342 632 HD12 ILE 78 HD12 ILE 78 5.067 -8.285 -4.038 633 HD13 ILE 78 HD13 ILE 78 5.003 -9.593 -5.220 634 HA PRO 79 HA PRO 79 5.788 -16.799 -2.162 635 HB2 PRO 79 HB2 PRO 79 3.638 -18.121 -3.121 636 HB3 PRO 79 HB3 PRO 79 3.615 -17.424 -1.487 637 HG2 PRO 79 HG2 PRO 79 2.453 -16.282 -4.019 638 HG3 PRO 79 HG3 PRO 79 1.703 -16.429 -2.413 639 HD2 PRO 79 HD2 PRO 79 2.860 -14.110 -3.289 640 HD3 PRO 79 HD3 PRO 79 2.805 -14.572 -1.571 641 H GLU 80 H GLU 80 6.247 -18.440 -3.797 642 HA GLU 80 HA GLU 80 6.768 -19.368 -5.778 643 HB2 GLU 80 HB2 GLU 80 4.271 -19.011 -6.082 644 HB3 GLU 80 HB3 GLU 80 4.632 -17.536 -6.967 645 HG2 GLU 80 HG2 GLU 80 4.077 -19.489 -8.432 646 HG3 GLU 80 HG3 GLU 80 5.661 -18.782 -8.763 647 H GLU 81 H GLU 81 7.883 -16.554 -4.974 648 HA GLU 81 HA GLU 81 9.466 -15.098 -5.626 649 HB2 GLU 81 HB2 GLU 81 10.013 -17.322 -7.625 650 HB3 GLU 81 HB3 GLU 81 10.957 -15.836 -7.643 651 HG2 GLU 81 HG2 GLU 81 12.030 -17.742 -6.409 652 HG3 GLU 81 HG3 GLU 81 11.860 -16.259 -5.476 653 H GLU 82 H GLU 82 6.815 -14.717 -6.514 654 HA GLU 82 HA GLU 82 6.986 -13.327 -9.085 655 HB2 GLU 82 HB2 GLU 82 4.750 -13.157 -7.029 656 HB3 GLU 82 HB3 GLU 82 4.660 -12.796 -8.744 657 HG2 GLU 82 HG2 GLU 82 4.890 -15.184 -9.266 658 HG3 GLU 82 HG3 GLU 82 5.036 -15.552 -7.545 659 H GLY 83 H GLY 83 6.341 -10.980 -9.129 660 HA2 GLY 83 HA2 GLY 83 6.435 -8.778 -8.537 661 HA3 GLY 83 HA3 GLY 83 6.063 -9.304 -6.907 662 H ARG 84 H ARG 84 8.972 -10.495 -8.317 663 HA ARG 84 HA ARG 84 10.631 -9.064 -6.394 664 HB2 ARG 84 HB2 ARG 84 11.479 -11.017 -8.585 665 HB3 ARG 84 HB3 ARG 84 12.441 -10.513 -7.203 666 HG2 ARG 84 HG2 ARG 84 9.946 -12.237 -7.107 667 HG3 ARG 84 HG3 ARG 84 11.604 -12.799 -6.944 668 HD2 ARG 84 HD2 ARG 84 11.776 -11.324 -4.873 669 HD3 ARG 84 HD3 ARG 84 10.027 -11.094 -4.988 670 HE ARG 84 HE ARG 84 11.318 -13.756 -4.679 671 HH11 ARG 84 HH11 ARG 84 8.755 -11.541 -3.767 672 HH12 ARG 84 HH12 ARG 84 8.000 -12.674 -2.699 673 HH21 ARG 84 HH21 ARG 84 10.304 -15.232 -3.277 674 HH22 ARG 84 HH22 ARG 84 8.870 -14.752 -2.421 675 H LYS 85 H LYS 85 10.104 -9.285 -9.835 676 HA LYS 85 HA LYS 85 11.978 -7.110 -10.515 677 HB2 LYS 85 HB2 LYS 85 12.159 -9.381 -11.629 678 HB3 LYS 85 HB3 LYS 85 10.548 -9.155 -12.298 679 HG2 LYS 85 HG2 LYS 85 11.363 -7.242 -13.627 680 HG3 LYS 85 HG3 LYS 85 12.974 -7.431 -12.922 681 HD2 LYS 85 HD2 LYS 85 13.127 -9.714 -13.914 682 HD3 LYS 85 HD3 LYS 85 11.530 -9.497 -14.635 683 HE2 LYS 85 HE2 LYS 85 13.280 -9.117 -16.295 684 HE3 LYS 85 HE3 LYS 85 12.410 -7.615 -15.984 685 HZ1 LYS 85 HZ1 LYS 85 15.062 -8.363 -14.864 686 HZ2 LYS 85 HZ2 LYS 85 14.228 -6.928 -14.528 687 HZ3 LYS 85 HZ3 LYS 85 14.777 -7.239 -16.095 688 H GLU 86 H GLU 86 8.673 -7.797 -10.001 689 HA GLU 86 HA GLU 86 7.655 -5.659 -11.775 690 HB2 GLU 86 HB2 GLU 86 6.654 -7.845 -12.168 691 HB3 GLU 86 HB3 GLU 86 6.300 -8.056 -10.457 692 HG2 GLU 86 HG2 GLU 86 4.693 -6.121 -10.613 693 HG3 GLU 86 HG3 GLU 86 4.981 -6.077 -12.354 694 H ALA 87 H ALA 87 6.483 -7.015 -8.665 695 HA ALA 87 HA ALA 87 5.123 -4.622 -7.972 696 HB1 ALA 87 HB1 ALA 87 4.458 -5.808 -5.937 697 HB2 ALA 87 HB2 ALA 87 5.657 -7.068 -6.256 698 HB3 ALA 87 HB3 ALA 87 4.290 -6.849 -7.350 699 H LYS 88 H LYS 88 8.280 -5.829 -7.224 700 HA LYS 88 HA LYS 88 8.882 -4.494 -4.849 701 HB2 LYS 88 HB2 LYS 88 10.216 -6.331 -5.790 702 HB3 LYS 88 HB3 LYS 88 10.752 -5.284 -7.105 703 HG2 LYS 88 HG2 LYS 88 11.972 -3.860 -5.563 704 HG3 LYS 88 HG3 LYS 88 11.296 -4.712 -4.168 705 HD2 LYS 88 HD2 LYS 88 12.448 -6.777 -4.889 706 HD3 LYS 88 HD3 LYS 88 13.152 -5.903 -6.253 707 HE2 LYS 88 HE2 LYS 88 14.343 -4.415 -4.696 708 HE3 LYS 88 HE3 LYS 88 13.611 -5.258 -3.326 709 HZ1 LYS 88 HZ1 LYS 88 15.389 -6.546 -5.328 710 HZ2 LYS 88 HZ2 LYS 88 14.776 -7.246 -3.912 711 HZ3 LYS 88 HZ3 LYS 88 15.888 -5.978 -3.816 712 H GLU 89 H GLU 89 9.015 -3.443 -8.204 713 HA GLU 89 HA GLU 89 10.458 -1.032 -7.882 714 HB2 GLU 89 HB2 GLU 89 8.368 -1.716 -9.987 715 HB3 GLU 89 HB3 GLU 89 9.588 -0.453 -10.115 716 HG2 GLU 89 HG2 GLU 89 10.095 -3.442 -10.010 717 HG3 GLU 89 HG3 GLU 89 10.222 -2.411 -11.433 718 H MET 90 H MET 90 7.100 -1.877 -7.447 719 HA MET 90 HA MET 90 6.028 0.770 -7.216 720 HB2 MET 90 HB2 MET 90 4.891 -1.837 -6.143 721 HB3 MET 90 HB3 MET 90 4.006 -0.340 -6.385 722 HG2 MET 90 HG2 MET 90 4.534 -0.565 -8.858 723 HG3 MET 90 HG3 MET 90 5.110 -2.193 -8.497 724 HE1 MET 90 HE1 MET 90 2.850 -2.851 -6.048 725 HE2 MET 90 HE2 MET 90 3.463 -4.026 -7.212 726 HE3 MET 90 HE3 MET 90 1.726 -3.782 -7.036 727 H ALA 91 H ALA 91 7.153 -1.712 -4.912 728 HA ALA 91 HA ALA 91 6.698 -0.334 -2.493 729 HB1 ALA 91 HB1 ALA 91 8.874 -2.348 -3.153 730 HB2 ALA 91 HB2 ALA 91 7.255 -2.713 -2.562 731 HB3 ALA 91 HB3 ALA 91 8.385 -1.854 -1.522 732 H LYS 92 H LYS 92 9.405 -0.374 -4.717 733 HA LYS 92 HA LYS 92 11.263 1.193 -3.337 734 HB2 LYS 92 HB2 LYS 92 11.781 -0.224 -5.334 735 HB3 LYS 92 HB3 LYS 92 10.853 0.875 -6.348 736 HG2 LYS 92 HG2 LYS 92 13.200 1.345 -6.637 737 HG3 LYS 92 HG3 LYS 92 12.461 2.702 -5.780 738 HD2 LYS 92 HD2 LYS 92 13.319 1.745 -3.624 739 HD3 LYS 92 HD3 LYS 92 14.129 0.473 -4.543 740 HE2 LYS 92 HE2 LYS 92 15.470 2.206 -5.717 741 HE3 LYS 92 HE3 LYS 92 14.677 3.456 -4.750 742 HZ1 LYS 92 HZ1 LYS 92 15.587 2.473 -2.765 743 HZ2 LYS 92 HZ2 LYS 92 16.832 2.816 -3.858 744 HZ3 LYS 92 HZ3 LYS 92 16.296 1.226 -3.661 745 H LYS 93 H LYS 93 8.743 1.994 -5.706 746 HA LYS 93 HA LYS 93 9.206 4.754 -5.974 747 HB2 LYS 93 HB2 LYS 93 7.030 2.831 -6.685 748 HB3 LYS 93 HB3 LYS 93 6.476 4.485 -6.488 749 HG2 LYS 93 HG2 LYS 93 8.720 3.652 -8.351 750 HG3 LYS 93 HG3 LYS 93 7.032 3.873 -8.831 751 HD2 LYS 93 HD2 LYS 93 7.109 6.235 -8.190 752 HD3 LYS 93 HD3 LYS 93 8.752 6.051 -7.594 753 HE2 LYS 93 HE2 LYS 93 7.858 5.757 -10.477 754 HE3 LYS 93 HE3 LYS 93 8.732 7.128 -9.793 755 HZ1 LYS 93 HZ1 LYS 93 9.723 4.355 -10.070 756 HZ2 LYS 93 HZ2 LYS 93 10.565 5.591 -9.285 757 HZ3 LYS 93 HZ3 LYS 93 10.239 5.708 -10.938 758 H ALA 94 H ALA 94 7.069 2.962 -3.755 759 HA ALA 94 HA ALA 94 5.746 5.197 -2.629 760 HB1 ALA 94 HB1 ALA 94 4.952 3.624 -0.930 761 HB2 ALA 94 HB2 ALA 94 6.158 2.438 -1.440 762 HB3 ALA 94 HB3 ALA 94 4.855 2.907 -2.535 763 H GLU 95 H GLU 95 8.655 3.426 -1.661 764 HA GLU 95 HA GLU 95 9.146 4.907 0.760 765 HB2 GLU 95 HB2 GLU 95 11.035 3.142 -0.845 766 HB3 GLU 95 HB3 GLU 95 11.297 3.704 0.803 767 HG2 GLU 95 HG2 GLU 95 9.423 2.365 1.615 768 HG3 GLU 95 HG3 GLU 95 9.005 1.903 -0.035 769 H GLU 96 H GLU 96 10.094 5.240 -2.629 770 HA GLU 96 HA GLU 96 12.065 7.269 -2.329 771 HB2 GLU 96 HB2 GLU 96 10.204 6.589 -4.639 772 HB3 GLU 96 HB3 GLU 96 11.391 7.878 -4.746 773 HG2 GLU 96 HG2 GLU 96 12.052 4.971 -4.245 774 HG3 GLU 96 HG3 GLU 96 12.086 5.736 -5.822 775 H TRP 97 H TRP 97 8.545 7.308 -2.698 776 HA TRP 97 HA TRP 97 8.153 10.110 -2.798 777 HB2 TRP 97 HB2 TRP 97 6.299 7.856 -1.948 778 HB3 TRP 97 HB3 TRP 97 5.778 9.522 -2.123 779 HD1 TRP 97 HD1 TRP 97 7.660 9.773 -4.954 780 HE1 TRP 97 HE1 TRP 97 6.554 8.856 -7.083 781 HE3 TRP 97 HE3 TRP 97 4.082 6.817 -2.809 782 HZ2 TRP 97 HZ2 TRP 97 4.444 7.120 -7.774 783 HZ3 TRP 97 HZ3 TRP 97 2.552 5.568 -4.278 784 HH2 TRP 97 HH2 TRP 97 2.743 5.723 -6.707 785 H LEU 98 H LEU 98 8.313 7.776 -0.153 786 HA LEU 98 HA LEU 98 7.599 9.407 2.002 787 HB2 LEU 98 HB2 LEU 98 7.819 6.984 2.198 788 HB3 LEU 98 HB3 LEU 98 9.542 7.076 1.866 789 HG LEU 98 HG LEU 98 9.917 8.231 4.032 790 HD11 LEU 98 HD11 LEU 98 6.933 7.918 4.478 791 HD12 LEU 98 HD12 LEU 98 7.813 9.436 4.266 792 HD13 LEU 98 HD13 LEU 98 8.105 8.441 5.691 793 HD21 LEU 98 HD21 LEU 98 9.440 6.339 5.526 794 HD22 LEU 98 HD22 LEU 98 10.060 5.784 3.972 795 HD23 LEU 98 HD23 LEU 98 8.334 5.659 4.331 796 H GLN 99 H GLN 99 10.836 8.756 0.621 797 HA GLN 99 HA GLN 99 12.302 10.557 2.263 798 HB2 GLN 99 HB2 GLN 99 13.010 9.584 -0.537 799 HB3 GLN 99 HB3 GLN 99 14.127 10.298 0.624 800 HG2 GLN 99 HG2 GLN 99 13.772 8.358 2.132 801 HG3 GLN 99 HG3 GLN 99 12.688 7.648 0.936 802 HE21 GLN 99 HE21 GLN 99 13.929 5.824 0.550 803 HE22 GLN 99 HE22 GLN 99 15.488 5.865 -0.194 804 H ALA 100 H ALA 100 10.493 10.954 -0.712 805 HA ALA 100 HA ALA 100 11.491 13.478 -1.544 806 HB1 ALA 100 HB1 ALA 100 8.804 12.204 -2.156 807 HB2 ALA 100 HB2 ALA 100 10.293 11.951 -3.062 808 HB3 ALA 100 HB3 ALA 100 9.548 13.550 -3.037 809 H GLU 101 H GLU 101 8.894 12.500 0.657 810 HA GLU 101 HA GLU 101 7.893 15.173 1.090 811 HB2 GLU 101 HB2 GLU 101 7.378 12.508 2.467 812 HB3 GLU 101 HB3 GLU 101 6.726 14.017 3.098 813 HG2 GLU 101 HG2 GLU 101 5.912 14.152 0.455 814 HG3 GLU 101 HG3 GLU 101 5.864 12.417 0.758 815 H GLN 102 H GLN 102 10.228 13.032 2.676 816 HA GLN 102 HA GLN 102 10.617 14.687 5.007 817 HB2 GLN 102 HB2 GLN 102 12.492 12.556 3.856 818 HB3 GLN 102 HB3 GLN 102 12.555 13.227 5.482 819 HG2 GLN 102 HG2 GLN 102 10.225 11.627 4.404 820 HG3 GLN 102 HG3 GLN 102 11.553 10.929 5.319 821 HE21 GLN 102 HE21 GLN 102 10.059 10.170 6.874 822 HE22 GLN 102 HE22 GLN 102 9.352 11.219 8.049 823 H ASN 103 H ASN 103 11.300 16.756 4.637 824 HA ASN 103 HA ASN 103 12.742 17.623 2.348 825 HB2 ASN 103 HB2 ASN 103 12.140 19.097 4.955 826 HB3 ASN 103 HB3 ASN 103 12.897 19.856 3.555 827 HD21 ASN 103 HD21 ASN 103 11.328 21.267 2.963 828 HD22 ASN 103 HD22 ASN 103 9.705 20.831 2.555 829 H ASN 104 H ASN 104 14.804 18.439 2.128 830 HA ASN 104 HA ASN 104 16.829 17.943 4.228 831 HB2 ASN 104 HB2 ASN 104 16.907 16.179 2.412 832 HB3 ASN 104 HB3 ASN 104 17.201 17.441 1.224 833 HD21 ASN 104 HD21 ASN 104 18.853 15.173 1.854 834 HD22 ASN 104 HD22 ASN 104 20.387 15.791 2.342 Start of MODEL 7 1 H1 ALA 1 H1 ALA 1 -13.674 -15.518 -2.798 2 H2 ALA 1 H2 ALA 1 -12.659 -16.758 -3.327 3 H3 ALA 1 H3 ALA 1 -12.603 -15.248 -4.069 4 HA ALA 1 HA ALA 1 -11.965 -15.686 -1.224 5 HB1 ALA 1 HB1 ALA 1 -10.010 -15.520 -3.539 6 HB2 ALA 1 HB2 ALA 1 -10.409 -16.977 -2.634 7 HB3 ALA 1 HB3 ALA 1 -9.581 -15.643 -1.830 8 H ASP 2 H ASP 2 -13.493 -13.588 -2.830 9 HA ASP 2 HA ASP 2 -12.085 -11.224 -1.759 10 HB2 ASP 2 HB2 ASP 2 -12.604 -9.930 -3.804 11 HB3 ASP 2 HB3 ASP 2 -11.558 -11.296 -4.167 12 H GLU 3 H GLU 3 -14.440 -12.927 -0.998 13 HA GLU 3 HA GLU 3 -16.848 -11.407 -1.450 14 HB2 GLU 3 HB2 GLU 3 -16.303 -13.631 0.583 15 HB3 GLU 3 HB3 GLU 3 -17.885 -12.974 0.192 16 HG2 GLU 3 HG2 GLU 3 -17.632 -15.109 -0.903 17 HG3 GLU 3 HG3 GLU 3 -17.661 -13.838 -2.125 18 H ASN 4 H ASN 4 -14.482 -11.748 1.134 19 HA ASN 4 HA ASN 4 -15.586 -9.942 3.028 20 HB2 ASN 4 HB2 ASN 4 -13.894 -11.557 3.707 21 HB3 ASN 4 HB3 ASN 4 -12.739 -10.935 2.540 22 HD21 ASN 4 HD21 ASN 4 -11.595 -9.034 3.031 23 HD22 ASN 4 HD22 ASN 4 -11.580 -8.356 4.619 24 H ILE 5 H ILE 5 -13.283 -9.608 0.364 25 HA ILE 5 HA ILE 5 -12.428 -6.965 0.757 26 HB ILE 5 HB ILE 5 -12.611 -8.587 -1.820 27 HG12 ILE 5 HG12 ILE 5 -11.218 -9.707 -0.141 28 HG13 ILE 5 HG13 ILE 5 -10.200 -9.093 -1.434 29 HG21 ILE 5 HG21 ILE 5 -10.857 -7.102 -2.745 30 HG22 ILE 5 HG22 ILE 5 -10.994 -6.074 -1.316 31 HG23 ILE 5 HG23 ILE 5 -12.363 -6.238 -2.417 32 HD11 ILE 5 HD11 ILE 5 -10.529 -7.878 1.313 33 HD12 ILE 5 HD12 ILE 5 -9.539 -7.204 0.013 34 HD13 ILE 5 HD13 ILE 5 -9.144 -8.778 0.698 35 H ALA 6 H ALA 6 -15.270 -8.269 -0.846 36 HA ALA 6 HA ALA 6 -16.141 -6.185 -2.445 37 HB1 ALA 6 HB1 ALA 6 -18.355 -7.234 -2.295 38 HB2 ALA 6 HB2 ALA 6 -17.833 -8.149 -0.876 39 HB3 ALA 6 HB3 ALA 6 -17.084 -8.450 -2.446 40 H LYS 7 H LYS 7 -16.504 -6.551 1.041 41 HA LYS 7 HA LYS 7 -18.398 -4.440 1.441 42 HB2 LYS 7 HB2 LYS 7 -18.104 -6.329 3.036 43 HB3 LYS 7 HB3 LYS 7 -16.476 -5.769 3.407 44 HG2 LYS 7 HG2 LYS 7 -17.356 -3.723 4.410 45 HG3 LYS 7 HG3 LYS 7 -19.001 -4.157 3.925 46 HD2 LYS 7 HD2 LYS 7 -18.864 -6.181 5.407 47 HD3 LYS 7 HD3 LYS 7 -17.260 -5.655 5.932 48 HE2 LYS 7 HE2 LYS 7 -18.257 -3.571 6.828 49 HE3 LYS 7 HE3 LYS 7 -19.855 -4.128 6.324 50 HZ1 LYS 7 HZ1 LYS 7 -19.484 -4.556 8.665 51 HZ2 LYS 7 HZ2 LYS 7 -18.095 -5.458 8.319 52 HZ3 LYS 7 HZ3 LYS 7 -19.607 -6.018 7.823 53 H PHE 8 H PHE 8 -14.877 -4.723 1.711 54 HA PHE 8 HA PHE 8 -14.432 -2.107 2.785 55 HB2 PHE 8 HB2 PHE 8 -12.492 -4.157 1.648 56 HB3 PHE 8 HB3 PHE 8 -11.998 -2.670 2.453 57 HD1 PHE 8 HD1 PHE 8 -12.366 -2.382 4.898 58 HD2 PHE 8 HD2 PHE 8 -13.329 -6.061 2.942 59 HE1 PHE 8 HE1 PHE 8 -12.495 -3.519 7.078 60 HE2 PHE 8 HE2 PHE 8 -13.459 -7.187 5.125 61 HZ PHE 8 HZ PHE 8 -13.046 -5.918 7.194 62 H GLU 9 H GLU 9 -14.730 -3.322 -0.458 63 HA GLU 9 HA GLU 9 -13.394 -1.306 -1.926 64 HB2 GLU 9 HB2 GLU 9 -15.821 -2.972 -2.678 65 HB3 GLU 9 HB3 GLU 9 -14.942 -1.945 -3.803 66 HG2 GLU 9 HG2 GLU 9 -12.903 -3.327 -3.419 67 HG3 GLU 9 HG3 GLU 9 -13.860 -4.396 -2.391 68 H LYS 10 H LYS 10 -16.573 -1.380 -0.403 69 HA LYS 10 HA LYS 10 -17.706 0.898 -1.688 70 HB2 LYS 10 HB2 LYS 10 -19.114 -0.788 -0.629 71 HB3 LYS 10 HB3 LYS 10 -18.392 -0.466 0.941 72 HG2 LYS 10 HG2 LYS 10 -19.383 1.841 0.876 73 HG3 LYS 10 HG3 LYS 10 -20.151 1.428 -0.660 74 HD2 LYS 10 HD2 LYS 10 -21.745 1.211 1.218 75 HD3 LYS 10 HD3 LYS 10 -21.461 -0.350 0.445 76 HE2 LYS 10 HE2 LYS 10 -19.870 -0.935 2.279 77 HE3 LYS 10 HE3 LYS 10 -20.214 0.615 3.051 78 HZ1 LYS 10 HZ1 LYS 10 -22.496 -0.053 3.351 79 HZ2 LYS 10 HZ2 LYS 10 -21.488 -1.234 4.011 80 HZ3 LYS 10 HZ3 LYS 10 -22.237 -1.503 2.525 81 H ALA 11 H ALA 11 -15.569 0.498 1.072 82 HA ALA 11 HA ALA 11 -15.891 3.020 2.321 83 HB1 ALA 11 HB1 ALA 11 -13.411 1.261 2.187 84 HB2 ALA 11 HB2 ALA 11 -14.692 1.163 3.395 85 HB3 ALA 11 HB3 ALA 11 -13.670 2.599 3.318 86 H TYR 12 H TYR 12 -14.005 1.955 -0.458 87 HA TYR 12 HA TYR 12 -12.764 4.563 -0.889 88 HB2 TYR 12 HB2 TYR 12 -11.806 2.106 -1.464 89 HB3 TYR 12 HB3 TYR 12 -12.669 2.355 -2.978 90 HD1 TYR 12 HD2 TYR 12 -9.871 3.466 -0.879 91 HD2 TYR 12 HD1 TYR 12 -11.868 4.120 -4.587 92 HE1 TYR 12 HE2 TYR 12 -8.000 4.808 -1.639 93 HE2 TYR 12 HE1 TYR 12 -9.987 5.501 -5.358 94 HH TYR 12 HH TYR 12 -8.163 6.806 -4.415 95 H LYS 13 H LYS 13 -12.969 5.547 -3.111 96 HA LYS 13 HA LYS 13 -14.031 6.478 -4.846 97 HB2 LYS 13 HB2 LYS 13 -16.002 4.149 -4.669 98 HB3 LYS 13 HB3 LYS 13 -15.894 5.289 -6.010 99 HG2 LYS 13 HG2 LYS 13 -13.690 4.482 -6.608 100 HG3 LYS 13 HG3 LYS 13 -13.616 3.461 -5.166 101 HD2 LYS 13 HD2 LYS 13 -15.614 2.184 -6.071 102 HD3 LYS 13 HD3 LYS 13 -15.477 3.122 -7.561 103 HE2 LYS 13 HE2 LYS 13 -13.271 2.193 -7.996 104 HE3 LYS 13 HE3 LYS 13 -13.261 1.380 -6.428 105 HZ1 LYS 13 HZ1 LYS 13 -13.817 -0.140 -8.233 106 HZ2 LYS 13 HZ2 LYS 13 -15.167 0.792 -8.635 107 HZ3 LYS 13 HZ3 LYS 13 -15.097 0.010 -7.141 108 H LYS 14 H LYS 14 -14.444 8.238 -3.531 109 HA LYS 14 HA LYS 14 -15.541 9.855 -2.409 110 HB2 LYS 14 HB2 LYS 14 -16.927 9.785 -4.514 111 HB3 LYS 14 HB3 LYS 14 -18.040 8.685 -3.704 112 HG2 LYS 14 HG2 LYS 14 -18.308 10.570 -1.933 113 HG3 LYS 14 HG3 LYS 14 -17.529 11.613 -3.125 114 HD2 LYS 14 HD2 LYS 14 -19.921 11.879 -3.357 115 HD3 LYS 14 HD3 LYS 14 -19.343 10.990 -4.767 116 HE2 LYS 14 HE2 LYS 14 -20.089 8.863 -3.678 117 HE3 LYS 14 HE3 LYS 14 -20.728 9.812 -2.332 118 HZ1 LYS 14 HZ1 LYS 14 -22.222 10.928 -3.885 119 HZ2 LYS 14 HZ2 LYS 14 -22.470 9.259 -3.906 120 HZ3 LYS 14 HZ3 LYS 14 -21.624 10.003 -5.167 121 H ALA 15 H ALA 15 -15.077 9.046 -0.329 122 HA ALA 15 HA ALA 15 -16.513 7.002 0.996 123 HB1 ALA 15 HB1 ALA 15 -14.909 9.259 2.241 124 HB2 ALA 15 HB2 ALA 15 -14.262 7.714 1.684 125 HB3 ALA 15 HB3 ALA 15 -15.394 7.757 3.037 126 H GLU 16 H GLU 16 -16.994 10.518 0.889 127 HA GLU 16 HA GLU 16 -19.682 10.185 2.081 128 HB2 GLU 16 HB2 GLU 16 -17.708 12.444 2.660 129 HB3 GLU 16 HB3 GLU 16 -19.392 12.426 3.178 130 HG2 GLU 16 HG2 GLU 16 -18.973 10.464 4.584 131 HG3 GLU 16 HG3 GLU 16 -17.304 10.393 4.012 132 H GLU 17 H GLU 17 -18.006 13.089 0.819 133 HA GLU 17 HA GLU 17 -19.328 12.891 -1.770 134 HB2 GLU 17 HB2 GLU 17 -20.292 15.171 -1.680 135 HB3 GLU 17 HB3 GLU 17 -21.042 14.082 -0.519 136 HG2 GLU 17 HG2 GLU 17 -19.801 15.100 1.312 137 HG3 GLU 17 HG3 GLU 17 -18.915 16.131 0.189 138 H LEU 18 H LEU 18 -18.464 14.342 -3.353 139 HA LEU 18 HA LEU 18 -16.799 15.232 -4.563 140 HB2 LEU 18 HB2 LEU 18 -15.856 16.254 -1.878 141 HB3 LEU 18 HB3 LEU 18 -14.941 16.543 -3.348 142 HG LEU 18 HG LEU 18 -17.139 17.619 -4.274 143 HD11 LEU 18 HD11 LEU 18 -18.641 18.629 -2.620 144 HD12 LEU 18 HD12 LEU 18 -17.806 17.762 -1.328 145 HD13 LEU 18 HD13 LEU 18 -18.698 16.865 -2.556 146 HD21 LEU 18 HD21 LEU 18 -15.580 18.996 -2.086 147 HD22 LEU 18 HD22 LEU 18 -16.561 19.791 -3.323 148 HD23 LEU 18 HD23 LEU 18 -15.131 18.872 -3.789 149 H ASN 19 H ASN 19 -14.945 14.418 -5.533 150 HA ASN 19 HA ASN 19 -13.618 12.093 -4.511 151 HB2 ASN 19 HB2 ASN 19 -13.884 12.577 -6.967 152 HB3 ASN 19 HB3 ASN 19 -12.765 13.923 -6.812 153 HD21 ASN 19 HD21 ASN 19 -13.083 10.487 -7.052 154 HD22 ASN 19 HD22 ASN 19 -11.397 10.121 -7.159 155 H GLN 20 H GLN 20 -12.807 12.725 -2.495 156 HA GLN 20 HA GLN 20 -10.452 14.540 -2.485 157 HB2 GLN 20 HB2 GLN 20 -12.455 14.000 -0.230 158 HB3 GLN 20 HB3 GLN 20 -11.002 14.984 -0.072 159 HG2 GLN 20 HG2 GLN 20 -11.892 16.630 -1.628 160 HG3 GLN 20 HG3 GLN 20 -13.300 15.618 -1.952 161 HE21 GLN 20 HE21 GLN 20 -14.918 15.421 -0.320 162 HE22 GLN 20 HE22 GLN 20 -15.033 16.555 0.977 163 H GLY 21 H GLY 21 -8.663 13.320 -2.341 164 HA2 GLY 21 HA2 GLY 21 -8.590 10.562 -1.781 165 HA3 GLY 21 HA3 GLY 21 -7.199 11.615 -1.916 166 H GLU 22 H GLU 22 -8.300 13.284 0.360 167 HA GLU 22 HA GLU 22 -7.106 11.994 2.588 168 HB2 GLU 22 HB2 GLU 22 -8.933 14.422 2.430 169 HB3 GLU 22 HB3 GLU 22 -8.124 13.907 3.914 170 HG2 GLU 22 HG2 GLU 22 -5.929 14.261 2.880 171 HG3 GLU 22 HG3 GLU 22 -6.695 14.681 1.345 172 H LEU 23 H LEU 23 -10.382 12.004 1.360 173 HA LEU 23 HA LEU 23 -11.644 10.790 3.646 174 HB2 LEU 23 HB2 LEU 23 -12.572 10.925 0.761 175 HB3 LEU 23 HB3 LEU 23 -13.557 10.385 2.112 176 HG LEU 23 HG LEU 23 -12.539 13.203 1.613 177 HD11 LEU 23 HD11 LEU 23 -15.357 12.072 1.617 178 HD12 LEU 23 HD12 LEU 23 -14.420 12.552 0.197 179 HD13 LEU 23 HD13 LEU 23 -14.911 13.764 1.373 180 HD21 LEU 23 HD21 LEU 23 -13.798 13.883 3.620 181 HD22 LEU 23 HD22 LEU 23 -12.485 12.782 4.024 182 HD23 LEU 23 HD23 LEU 23 -14.151 12.191 3.987 183 H MET 24 H MET 24 -9.572 9.639 1.249 184 HA MET 24 HA MET 24 -10.398 6.811 1.578 185 HB2 MET 24 HB2 MET 24 -9.978 8.361 -1.014 186 HB3 MET 24 HB3 MET 24 -9.848 6.611 -0.949 187 HG2 MET 24 HG2 MET 24 -12.134 6.330 -0.451 188 HG3 MET 24 HG3 MET 24 -12.337 8.023 0.007 189 HE1 MET 24 HE1 MET 24 -10.891 9.630 -2.401 190 HE2 MET 24 HE2 MET 24 -12.424 10.013 -1.607 191 HE3 MET 24 HE3 MET 24 -12.341 9.896 -3.373 192 H GLY 25 H GLY 25 -8.332 5.966 -0.362 193 HA2 GLY 25 HA2 GLY 25 -6.025 5.734 -0.589 194 HA3 GLY 25 HA3 GLY 25 -5.781 6.880 0.723 195 H ARG 26 H ARG 26 -6.750 6.028 2.884 196 HA ARG 26 HA ARG 26 -5.362 3.710 3.688 197 HB2 ARG 26 HB2 ARG 26 -5.994 5.642 5.201 198 HB3 ARG 26 HB3 ARG 26 -7.657 5.063 5.177 199 HG2 ARG 26 HG2 ARG 26 -6.847 2.894 6.183 200 HG3 ARG 26 HG3 ARG 26 -5.238 3.607 6.307 201 HD2 ARG 26 HD2 ARG 26 -6.185 5.385 7.779 202 HD3 ARG 26 HD3 ARG 26 -7.759 4.583 7.692 203 HE ARG 26 HE ARG 26 -5.322 3.361 8.862 204 HH11 ARG 26 HH11 ARG 26 -8.822 3.750 8.926 205 HH12 ARG 26 HH12 ARG 26 -9.018 2.743 10.326 206 HH21 ARG 26 HH21 ARG 26 -5.600 2.100 10.719 207 HH22 ARG 26 HH22 ARG 26 -7.198 1.813 11.337 208 H ALA 27 H ALA 27 -8.555 4.181 2.392 209 HA ALA 27 HA ALA 27 -9.747 1.752 3.134 210 HB1 ALA 27 HB1 ALA 27 -11.034 3.600 2.192 211 HB2 ALA 27 HB2 ALA 27 -11.280 2.126 1.256 212 HB3 ALA 27 HB3 ALA 27 -10.224 3.401 0.639 213 H LEU 28 H LEU 28 -7.790 2.583 0.193 214 HA LEU 28 HA LEU 28 -7.882 -0.032 -0.877 215 HB2 LEU 28 HB2 LEU 28 -6.066 2.294 -1.460 216 HB3 LEU 28 HB3 LEU 28 -5.731 0.723 -2.167 217 HG LEU 28 HG LEU 28 -8.243 2.356 -2.590 218 HD11 LEU 28 HD11 LEU 28 -6.293 3.222 -3.795 219 HD12 LEU 28 HD12 LEU 28 -7.524 2.585 -4.886 220 HD13 LEU 28 HD13 LEU 28 -6.070 1.640 -4.550 221 HD21 LEU 28 HD21 LEU 28 -8.956 0.652 -4.184 222 HD22 LEU 28 HD22 LEU 28 -8.818 -0.013 -2.558 223 HD23 LEU 28 HD23 LEU 28 -7.562 -0.342 -3.754 224 H TYR 29 H TYR 29 -5.608 1.648 1.214 225 HA TYR 29 HA TYR 29 -3.610 -0.249 1.580 226 HB2 TYR 29 HB2 TYR 29 -3.402 2.029 2.437 227 HB3 TYR 29 HB3 TYR 29 -4.776 1.810 3.509 228 HD1 TYR 29 HD2 TYR 29 -1.316 0.573 2.845 229 HD2 TYR 29 HD1 TYR 29 -4.413 1.056 5.759 230 HE1 TYR 29 HE2 TYR 29 0.222 -0.149 4.602 231 HE2 TYR 29 HE1 TYR 29 -2.859 0.321 7.518 232 HH TYR 29 HH TYR 29 0.538 -0.237 6.864 233 H ASN 30 H ASN 30 -6.762 0.059 3.149 234 HA ASN 30 HA ASN 30 -6.367 -1.913 5.180 235 HB2 ASN 30 HB2 ASN 30 -7.985 0.094 5.231 236 HB3 ASN 30 HB3 ASN 30 -9.044 -0.845 4.184 237 HD21 ASN 30 HD21 ASN 30 -7.629 -0.612 7.387 238 HD22 ASN 30 HD22 ASN 30 -8.726 -1.706 8.156 239 H ILE 31 H ILE 31 -7.961 -1.868 2.006 240 HA ILE 31 HA ILE 31 -8.923 -4.513 1.881 241 HB ILE 31 HB ILE 31 -7.915 -2.714 -0.385 242 HG12 ILE 31 HG12 ILE 31 -10.786 -3.272 0.503 243 HG13 ILE 31 HG13 ILE 31 -9.885 -1.812 0.891 244 HG21 ILE 31 HG21 ILE 31 -7.871 -5.046 -1.127 245 HG22 ILE 31 HG22 ILE 31 -9.188 -4.188 -1.930 246 HG23 ILE 31 HG23 ILE 31 -9.535 -5.275 -0.584 247 HD11 ILE 31 HD11 ILE 31 -10.688 -2.711 -1.877 248 HD12 ILE 31 HD12 ILE 31 -9.766 -1.255 -1.490 249 HD13 ILE 31 HD13 ILE 31 -11.428 -1.421 -0.925 250 H GLY 32 H GLY 32 -5.784 -3.065 1.075 251 HA2 GLY 32 HA2 GLY 32 -4.412 -5.283 0.052 252 HA3 GLY 32 HA3 GLY 32 -3.676 -3.886 0.820 253 H LEU 33 H LEU 33 -4.875 -4.181 3.391 254 HA LEU 33 HA LEU 33 -3.160 -6.080 4.646 255 HB2 LEU 33 HB2 LEU 33 -5.561 -4.539 5.717 256 HB3 LEU 33 HB3 LEU 33 -4.495 -5.508 6.726 257 HG LEU 33 HG LEU 33 -3.677 -3.013 5.177 258 HD11 LEU 33 HD11 LEU 33 -4.082 -3.420 8.157 259 HD12 LEU 33 HD12 LEU 33 -5.145 -2.515 7.074 260 HD13 LEU 33 HD13 LEU 33 -3.505 -1.945 7.370 261 HD21 LEU 33 HD21 LEU 33 -1.546 -3.167 6.390 262 HD22 LEU 33 HD22 LEU 33 -1.798 -4.572 5.358 263 HD23 LEU 33 HD23 LEU 33 -2.045 -4.705 7.104 264 H GLU 34 H GLU 34 -6.662 -6.026 3.948 265 HA GLU 34 HA GLU 34 -7.366 -8.481 5.156 266 HB2 GLU 34 HB2 GLU 34 -8.668 -6.964 2.858 267 HB3 GLU 34 HB3 GLU 34 -9.401 -8.364 3.640 268 HG2 GLU 34 HG2 GLU 34 -8.769 -5.695 4.934 269 HG3 GLU 34 HG3 GLU 34 -10.368 -6.294 4.491 270 H LYS 35 H LYS 35 -6.105 -7.695 1.969 271 HA LYS 35 HA LYS 35 -6.354 -10.303 0.832 272 HB2 LYS 35 HB2 LYS 35 -4.839 -7.805 0.045 273 HB3 LYS 35 HB3 LYS 35 -4.647 -9.310 -0.862 274 HG2 LYS 35 HG2 LYS 35 -7.051 -9.373 -1.329 275 HG3 LYS 35 HG3 LYS 35 -7.298 -7.915 -0.362 276 HD2 LYS 35 HD2 LYS 35 -6.046 -6.584 -1.932 277 HD3 LYS 35 HD3 LYS 35 -5.561 -8.020 -2.833 278 HE2 LYS 35 HE2 LYS 35 -8.418 -7.032 -2.553 279 HE3 LYS 35 HE3 LYS 35 -7.387 -6.771 -3.961 280 HZ1 LYS 35 HZ1 LYS 35 -8.899 -8.635 -4.278 281 HZ2 LYS 35 HZ2 LYS 35 -8.241 -9.429 -2.940 282 HZ3 LYS 35 HZ3 LYS 35 -7.293 -9.149 -4.305 283 H ASN 36 H ASN 36 -3.688 -8.511 2.353 284 HA ASN 36 HA ASN 36 -1.645 -10.433 2.113 285 HB2 ASN 36 HB2 ASN 36 -1.340 -8.002 2.761 286 HB3 ASN 36 HB3 ASN 36 -1.986 -8.376 4.354 287 HD21 ASN 36 HD21 ASN 36 0.727 -8.775 2.199 288 HD22 ASN 36 HD22 ASN 36 1.860 -9.291 3.396 289 H LYS 37 H LYS 37 -4.235 -10.027 4.436 290 HA LYS 37 HA LYS 37 -3.543 -11.893 6.440 291 HB2 LYS 37 HB2 LYS 37 -5.262 -10.132 6.705 292 HB3 LYS 37 HB3 LYS 37 -6.275 -10.918 5.496 293 HG2 LYS 37 HG2 LYS 37 -6.388 -12.930 7.054 294 HG3 LYS 37 HG3 LYS 37 -5.580 -11.937 8.273 295 HD2 LYS 37 HD2 LYS 37 -8.264 -11.355 6.966 296 HD3 LYS 37 HD3 LYS 37 -8.021 -11.948 8.609 297 HE2 LYS 37 HE2 LYS 37 -6.885 -9.838 9.204 298 HE3 LYS 37 HE3 LYS 37 -7.096 -9.251 7.551 299 HZ1 LYS 37 HZ1 LYS 37 -9.492 -9.376 7.858 300 HZ2 LYS 37 HZ2 LYS 37 -8.786 -8.359 9.003 301 HZ3 LYS 37 HZ3 LYS 37 -9.289 -9.913 9.448 302 H MET 38 H MET 38 -5.306 -12.210 3.378 303 HA MET 38 HA MET 38 -5.953 -15.029 3.734 304 HB2 MET 38 HB2 MET 38 -6.278 -13.194 1.316 305 HB3 MET 38 HB3 MET 38 -6.908 -14.832 1.427 306 HG2 MET 38 HG2 MET 38 -8.377 -14.127 3.284 307 HG3 MET 38 HG3 MET 38 -7.762 -12.480 3.134 308 HE1 MET 38 HE1 MET 38 -9.033 -11.627 -0.570 309 HE2 MET 38 HE2 MET 38 -7.529 -12.493 -0.253 310 HE3 MET 38 HE3 MET 38 -7.975 -11.099 0.739 311 H GLY 39 H GLY 39 -3.065 -13.635 3.216 312 HA2 GLY 39 HA2 GLY 39 -1.058 -14.588 2.563 313 HA3 GLY 39 HA3 GLY 39 -1.926 -15.919 1.813 314 H LYS 40 H LYS 40 -3.322 -13.116 0.735 315 HA LYS 40 HA LYS 40 -2.071 -13.274 -1.875 316 HB2 LYS 40 HB2 LYS 40 -4.237 -11.359 -0.897 317 HB3 LYS 40 HB3 LYS 40 -3.786 -11.657 -2.572 318 HG2 LYS 40 HG2 LYS 40 -5.147 -13.594 -0.681 319 HG3 LYS 40 HG3 LYS 40 -5.881 -12.740 -2.044 320 HD2 LYS 40 HD2 LYS 40 -3.993 -14.000 -3.448 321 HD3 LYS 40 HD3 LYS 40 -3.977 -15.089 -2.054 322 HE2 LYS 40 HE2 LYS 40 -5.489 -16.010 -3.673 323 HE3 LYS 40 HE3 LYS 40 -6.487 -15.356 -2.376 324 HZ1 LYS 40 HZ1 LYS 40 -5.911 -14.025 -4.976 325 HZ2 LYS 40 HZ2 LYS 40 -6.844 -13.365 -3.735 326 HZ3 LYS 40 HZ3 LYS 40 -7.363 -14.758 -4.532 327 H ALA 41 H ALA 41 0.059 -12.591 -1.122 328 HA ALA 41 HA ALA 41 0.557 -9.912 -0.156 329 HB1 ALA 41 HB1 ALA 41 2.023 -11.805 0.427 330 HB2 ALA 41 HB2 ALA 41 2.928 -10.529 -0.388 331 HB3 ALA 41 HB3 ALA 41 2.474 -11.992 -1.269 332 H ARG 42 H ARG 42 0.519 -11.552 -3.256 333 HA ARG 42 HA ARG 42 1.902 -9.634 -4.822 334 HB2 ARG 42 HB2 ARG 42 1.669 -11.933 -5.592 335 HB3 ARG 42 HB3 ARG 42 -0.085 -11.813 -5.568 336 HG2 ARG 42 HG2 ARG 42 0.587 -11.718 -7.846 337 HG3 ARG 42 HG3 ARG 42 0.104 -10.079 -7.399 338 HD2 ARG 42 HD2 ARG 42 2.584 -9.604 -6.975 339 HD3 ARG 42 HD3 ARG 42 2.919 -11.159 -7.746 340 HE ARG 42 HE ARG 42 2.277 -10.293 -9.786 341 HH11 ARG 42 HH11 ARG 42 1.715 -7.891 -7.269 342 HH12 ARG 42 HH12 ARG 42 1.496 -6.615 -8.400 343 HH21 ARG 42 HH21 ARG 42 1.971 -8.605 -11.222 344 HH22 ARG 42 HH22 ARG 42 1.637 -7.009 -10.653 345 H GLU 43 H GLU 43 -1.590 -10.226 -4.254 346 HA GLU 43 HA GLU 43 -2.545 -7.976 -5.730 347 HB2 GLU 43 HB2 GLU 43 -3.863 -9.587 -3.510 348 HB3 GLU 43 HB3 GLU 43 -4.683 -8.336 -4.440 349 HG2 GLU 43 HG2 GLU 43 -4.238 -9.707 -6.518 350 HG3 GLU 43 HG3 GLU 43 -3.631 -10.990 -5.463 351 H ALA 44 H ALA 44 -1.699 -8.524 -2.321 352 HA ALA 44 HA ALA 44 -2.676 -6.212 -1.129 353 HB1 ALA 44 HB1 ALA 44 -1.783 -8.118 0.135 354 HB2 ALA 44 HB2 ALA 44 -1.025 -6.610 0.646 355 HB3 ALA 44 HB3 ALA 44 -0.148 -7.731 -0.403 356 H ALA 45 H ALA 45 0.418 -6.759 -2.778 357 HA ALA 45 HA ALA 45 1.696 -4.340 -2.203 358 HB1 ALA 45 HB1 ALA 45 3.187 -4.908 -4.062 359 HB2 ALA 45 HB2 ALA 45 2.036 -6.127 -4.625 360 HB3 ALA 45 HB3 ALA 45 2.841 -6.320 -3.065 361 H GLU 46 H GLU 46 -0.485 -5.185 -4.879 362 HA GLU 46 HA GLU 46 -0.249 -2.894 -6.476 363 HB2 GLU 46 HB2 GLU 46 -2.745 -4.566 -5.963 364 HB3 GLU 46 HB3 GLU 46 -2.504 -3.490 -7.336 365 HG2 GLU 46 HG2 GLU 46 -0.926 -6.028 -6.766 366 HG3 GLU 46 HG3 GLU 46 -2.240 -5.869 -7.928 367 H TYR 47 H TYR 47 -2.464 -3.610 -3.801 368 HA TYR 47 HA TYR 47 -3.915 -1.145 -3.935 369 HB2 TYR 47 HB2 TYR 47 -3.915 -3.498 -2.004 370 HB3 TYR 47 HB3 TYR 47 -4.938 -2.082 -1.750 371 HD1 TYR 47 HD2 TYR 47 -4.139 -4.623 -4.423 372 HD2 TYR 47 HD1 TYR 47 -7.074 -2.046 -2.718 373 HE1 TYR 47 HE2 TYR 47 -5.823 -5.551 -5.947 374 HE2 TYR 47 HE1 TYR 47 -8.754 -2.960 -4.242 375 HH TYR 47 HH TYR 47 -8.874 -4.125 -6.397 376 H PHE 48 H PHE 48 -1.199 -2.304 -2.003 377 HA PHE 48 HA PHE 48 -1.108 -0.132 -0.157 378 HB2 PHE 48 HB2 PHE 48 1.056 -2.066 -1.081 379 HB3 PHE 48 HB3 PHE 48 1.338 -0.841 0.152 380 HD1 PHE 48 HD1 PHE 48 -1.387 -1.107 1.578 381 HD2 PHE 48 HD2 PHE 48 1.474 -4.003 0.262 382 HE1 PHE 48 HE1 PHE 48 -2.118 -2.638 3.347 383 HE2 PHE 48 HE2 PHE 48 0.724 -5.539 2.029 384 HZ PHE 48 HZ PHE 48 -1.069 -4.863 3.574 385 H PHE 49 H PHE 49 0.129 -0.606 -3.431 386 HA PHE 49 HA PHE 49 1.817 1.708 -3.504 387 HB2 PHE 49 HB2 PHE 49 2.107 -0.188 -5.095 388 HB3 PHE 49 HB3 PHE 49 0.547 0.189 -5.826 389 HD1 PHE 49 HD2 PHE 49 3.478 2.306 -4.791 390 HD2 PHE 49 HD1 PHE 49 0.911 1.105 -8.005 391 HE1 PHE 49 HE2 PHE 49 4.631 3.847 -6.294 392 HE2 PHE 49 HE1 PHE 49 2.091 2.666 -9.507 393 HZ PHE 49 HZ PHE 49 3.967 4.039 -8.651 394 H ARG 50 H ARG 50 -1.451 0.990 -4.677 395 HA ARG 50 HA ARG 50 -2.040 3.480 -5.841 396 HB2 ARG 50 HB2 ARG 50 -3.960 1.479 -4.577 397 HB3 ARG 50 HB3 ARG 50 -4.407 2.755 -5.710 398 HG2 ARG 50 HG2 ARG 50 -3.206 1.678 -7.507 399 HG3 ARG 50 HG3 ARG 50 -2.512 0.495 -6.400 400 HD2 ARG 50 HD2 ARG 50 -4.882 -0.305 -5.924 401 HD3 ARG 50 HD3 ARG 50 -5.416 0.746 -7.244 402 HE ARG 50 HE ARG 50 -3.296 -1.032 -8.003 403 HH11 ARG 50 HH11 ARG 50 -6.805 -0.876 -7.645 404 HH12 ARG 50 HH12 ARG 50 -7.089 -2.165 -8.775 405 HH21 ARG 50 HH21 ARG 50 -3.683 -2.700 -9.470 406 HH22 ARG 50 HH22 ARG 50 -5.313 -3.197 -9.809 407 H ALA 51 H ALA 51 -2.478 2.208 -2.571 408 HA ALA 51 HA ALA 51 -3.704 4.417 -1.327 409 HB1 ALA 51 HB1 ALA 51 -1.822 2.342 -0.156 410 HB2 ALA 51 HB2 ALA 51 -3.575 2.197 -0.291 411 HB3 ALA 51 HB3 ALA 51 -2.880 3.420 0.773 412 H ALA 52 H ALA 52 -0.262 3.521 -1.725 413 HA ALA 52 HA ALA 52 0.887 5.642 -0.280 414 HB1 ALA 52 HB1 ALA 52 2.107 3.593 -0.865 415 HB2 ALA 52 HB2 ALA 52 2.989 5.026 -1.400 416 HB3 ALA 52 HB3 ALA 52 2.091 4.048 -2.570 417 H ILE 53 H ILE 53 -0.039 5.410 -3.706 418 HA ILE 53 HA ILE 53 1.006 7.811 -4.706 419 HB ILE 53 HB ILE 53 -1.500 6.258 -5.516 420 HG12 ILE 53 HG12 ILE 53 1.198 6.454 -6.932 421 HG13 ILE 53 HG13 ILE 53 0.743 5.127 -5.878 422 HG21 ILE 53 HG21 ILE 53 -1.824 8.589 -6.214 423 HG22 ILE 53 HG22 ILE 53 -1.539 7.569 -7.623 424 HG23 ILE 53 HG23 ILE 53 -0.244 8.594 -7.001 425 HD11 ILE 53 HD11 ILE 53 0.481 4.505 -8.192 426 HD12 ILE 53 HD12 ILE 53 -0.593 5.873 -8.481 427 HD13 ILE 53 HD13 ILE 53 -1.095 4.561 -7.409 428 H VAL 54 H VAL 54 -2.156 7.084 -3.226 429 HA VAL 54 HA VAL 54 -3.311 9.638 -3.418 430 HB VAL 54 HB VAL 54 -3.873 7.421 -1.388 431 HG11 VAL 54 HG11 VAL 54 -4.761 9.563 -0.563 432 HG12 VAL 54 HG12 VAL 54 -6.087 8.513 -1.072 433 HG13 VAL 54 HG13 VAL 54 -5.569 9.844 -2.108 434 HG21 VAL 54 HG21 VAL 54 -5.267 8.093 -4.011 435 HG22 VAL 54 HG22 VAL 54 -5.749 6.816 -2.888 436 HG23 VAL 54 HG23 VAL 54 -4.203 6.714 -3.733 437 H PHE 55 H PHE 55 -1.621 8.078 -0.665 438 HA PHE 55 HA PHE 55 -1.742 10.234 1.140 439 HB2 PHE 55 HB2 PHE 55 0.260 7.948 0.961 440 HB3 PHE 55 HB3 PHE 55 0.151 9.054 2.331 441 HD1 PHE 55 HD1 PHE 55 -2.693 9.329 2.865 442 HD2 PHE 55 HD2 PHE 55 -0.510 5.842 1.669 443 HE1 PHE 55 HE1 PHE 55 -4.362 7.889 3.958 444 HE2 PHE 55 HE2 PHE 55 -2.186 4.421 2.764 445 HZ PHE 55 HZ PHE 55 -4.102 5.444 3.907 446 H TYR 56 H TYR 56 0.534 9.535 -1.432 447 HA TYR 56 HA TYR 56 2.541 11.433 -0.709 448 HB2 TYR 56 HB2 TYR 56 3.140 9.591 -2.149 449 HB3 TYR 56 HB3 TYR 56 1.880 10.000 -3.308 450 HD1 TYR 56 HD2 TYR 56 4.743 11.853 -1.675 451 HD2 TYR 56 HD1 TYR 56 2.738 10.828 -5.314 452 HE1 TYR 56 HE2 TYR 56 6.347 13.199 -2.937 453 HE2 TYR 56 HE1 TYR 56 4.338 12.182 -6.574 454 HH TYR 56 HH TYR 56 7.235 13.361 -5.242 455 H LYS 57 H LYS 57 -0.124 11.534 -3.108 456 HA LYS 57 HA LYS 57 0.424 14.242 -3.879 457 HB2 LYS 57 HB2 LYS 57 -1.587 14.067 -5.288 458 HB3 LYS 57 HB3 LYS 57 -0.516 12.688 -5.491 459 HG2 LYS 57 HG2 LYS 57 -2.030 11.420 -3.890 460 HG3 LYS 57 HG3 LYS 57 -3.158 12.772 -4.007 461 HD2 LYS 57 HD2 LYS 57 -2.218 10.994 -6.304 462 HD3 LYS 57 HD3 LYS 57 -3.804 10.956 -5.532 463 HE2 LYS 57 HE2 LYS 57 -4.220 13.279 -6.329 464 HE3 LYS 57 HE3 LYS 57 -2.659 13.253 -7.155 465 HZ1 LYS 57 HZ1 LYS 57 -4.424 12.735 -8.691 466 HZ2 LYS 57 HZ2 LYS 57 -4.969 11.465 -7.721 467 HZ3 LYS 57 HZ3 LYS 57 -3.457 11.365 -8.472 468 H GLU 58 H GLU 58 -1.617 12.864 -1.370 469 HA GLU 58 HA GLU 58 -2.860 15.428 -0.736 470 HB2 GLU 58 HB2 GLU 58 -2.728 12.949 1.042 471 HB3 GLU 58 HB3 GLU 58 -3.816 14.319 1.223 472 HG2 GLU 58 HG2 GLU 58 -3.893 12.128 -0.860 473 HG3 GLU 58 HG3 GLU 58 -5.082 12.482 0.383 474 H HIS 59 H HIS 59 0.119 13.929 -0.285 475 HA HIS 59 HA HIS 59 2.005 14.295 0.809 476 HB2 HIS 59 HB2 HIS 59 0.780 17.053 1.114 477 HB3 HIS 59 HB3 HIS 59 2.369 16.689 1.776 478 HD1 HIS 59 HD1 HIS 59 4.334 16.462 0.146 479 HD2 HIS 59 HD2 HIS 59 0.698 17.041 -1.783 480 HE1 HIS 59 HE1 HIS 59 4.916 16.967 -2.237 481 HE2 HIS 59 HE2 HIS 59 2.701 17.261 -3.389 482 H ASP 60 H ASP 60 -0.254 13.118 2.207 483 HA ASP 60 HA ASP 60 0.252 13.556 5.025 484 HB2 ASP 60 HB2 ASP 60 -1.958 12.719 4.220 485 HB3 ASP 60 HB3 ASP 60 -1.182 11.270 3.582 486 H THR 61 H THR 61 2.467 13.347 5.183 487 HA THR 61 HA THR 61 4.117 11.429 3.986 488 HB THR 61 HB THR 61 4.631 13.055 6.516 489 HG1 THR 61 HG1 THR 61 4.661 13.702 3.779 490 HG21 THR 61 HG21 THR 61 6.356 11.323 6.237 491 HG22 THR 61 HG22 THR 61 7.029 12.910 5.870 492 HG23 THR 61 HG23 THR 61 6.602 11.817 4.554 493 H ASP 62 H ASP 62 2.340 11.337 7.001 494 HA ASP 62 HA ASP 62 3.620 9.194 8.332 495 HB2 ASP 62 HB2 ASP 62 2.189 10.695 9.577 496 HB3 ASP 62 HB3 ASP 62 0.818 10.366 8.524 497 H GLY 63 H GLY 63 0.623 9.301 6.369 498 HA2 GLY 63 HA2 GLY 63 0.184 6.487 6.339 499 HA3 GLY 63 HA3 GLY 63 -0.582 7.673 5.294 500 H LEU 64 H LEU 64 1.958 8.673 4.242 501 HA LEU 64 HA LEU 64 2.354 6.916 2.057 502 HB2 LEU 64 HB2 LEU 64 2.700 9.325 1.856 503 HB3 LEU 64 HB3 LEU 64 3.974 9.281 3.064 504 HG LEU 64 HG LEU 64 5.419 7.971 1.500 505 HD11 LEU 64 HD11 LEU 64 4.831 7.706 -0.848 506 HD12 LEU 64 HD12 LEU 64 3.216 8.350 -0.544 507 HD13 LEU 64 HD13 LEU 64 3.712 6.817 0.186 508 HD21 LEU 64 HD21 LEU 64 5.603 10.403 1.551 509 HD22 LEU 64 HD22 LEU 64 4.374 10.538 0.289 510 HD23 LEU 64 HD23 LEU 64 5.921 9.765 -0.059 511 H ARG 65 H ARG 65 4.213 7.566 5.034 512 HA ARG 65 HA ARG 65 6.406 5.848 4.601 513 HB2 ARG 65 HB2 ARG 65 6.402 7.495 6.438 514 HB3 ARG 65 HB3 ARG 65 5.056 6.667 7.215 515 HG2 ARG 65 HG2 ARG 65 6.556 4.644 7.510 516 HG3 ARG 65 HG3 ARG 65 7.893 5.606 6.875 517 HD2 ARG 65 HD2 ARG 65 6.290 6.192 9.384 518 HD3 ARG 65 HD3 ARG 65 7.930 5.541 9.333 519 HE ARG 65 HE ARG 65 8.543 7.700 8.205 520 HH11 ARG 65 HH11 ARG 65 5.812 7.586 10.423 521 HH12 ARG 65 HH12 ARG 65 5.942 9.266 10.853 522 HH21 ARG 65 HH21 ARG 65 8.717 9.871 8.776 523 HH22 ARG 65 HH22 ARG 65 7.600 10.567 9.912 524 H ARG 66 H ARG 66 3.242 5.366 6.079 525 HA ARG 66 HA ARG 66 3.659 2.743 7.069 526 HB2 ARG 66 HB2 ARG 66 1.990 4.401 7.944 527 HB3 ARG 66 HB3 ARG 66 1.034 4.177 6.482 528 HG2 ARG 66 HG2 ARG 66 0.649 1.820 7.064 529 HG3 ARG 66 HG3 ARG 66 1.675 1.987 8.492 530 HD2 ARG 66 HD2 ARG 66 -0.958 3.409 7.989 531 HD3 ARG 66 HD3 ARG 66 -0.680 2.082 9.118 532 HE ARG 66 HE ARG 66 -0.064 4.876 9.497 533 HH11 ARG 66 HH11 ARG 66 0.699 1.634 10.624 534 HH12 ARG 66 HH12 ARG 66 1.291 2.178 12.162 535 HH21 ARG 66 HH21 ARG 66 0.698 5.575 11.503 536 HH22 ARG 66 HH22 ARG 66 1.289 4.414 12.656 537 H ALA 67 H ALA 67 2.177 3.980 4.097 538 HA ALA 67 HA ALA 67 1.309 1.422 3.105 539 HB1 ALA 67 HB1 ALA 67 0.141 3.495 2.504 540 HB2 ALA 67 HB2 ALA 67 0.730 2.663 1.061 541 HB3 ALA 67 HB3 ALA 67 1.579 4.090 1.674 542 H ALA 68 H ALA 68 4.146 3.514 2.633 543 HA ALA 68 HA ALA 68 5.424 2.032 0.580 544 HB1 ALA 68 HB1 ALA 68 7.467 3.224 1.261 545 HB2 ALA 68 HB2 ALA 68 6.671 3.762 2.748 546 HB3 ALA 68 HB3 ALA 68 6.092 4.326 1.177 547 H LYS 69 H LYS 69 5.504 1.858 4.092 548 HA LYS 69 HA LYS 69 7.560 -0.076 4.361 549 HB2 LYS 69 HB2 LYS 69 6.809 1.496 6.196 550 HB3 LYS 69 HB3 LYS 69 5.325 0.558 6.341 551 HG2 LYS 69 HG2 LYS 69 6.850 -0.147 8.080 552 HG3 LYS 69 HG3 LYS 69 6.700 -1.462 6.904 553 HD2 LYS 69 HD2 LYS 69 8.856 -0.694 5.846 554 HD3 LYS 69 HD3 LYS 69 9.007 0.527 7.117 555 HE2 LYS 69 HE2 LYS 69 9.031 -2.489 7.468 556 HE3 LYS 69 HE3 LYS 69 10.390 -1.387 7.675 557 HZ1 LYS 69 HZ1 LYS 69 9.210 -0.383 9.550 558 HZ2 LYS 69 HZ2 LYS 69 9.489 -2.031 9.795 559 HZ3 LYS 69 HZ3 LYS 69 7.949 -1.489 9.362 560 H SER 70 H SER 70 3.979 -0.300 4.473 561 HA SER 70 HA SER 70 3.864 -3.107 4.881 562 HB2 SER 70 HB2 SER 70 1.761 -1.236 3.714 563 HB3 SER 70 HB3 SER 70 1.470 -2.879 4.293 564 HG SER 70 HG SER 70 2.714 -1.057 6.016 565 H LEU 71 H LEU 71 4.126 -1.105 2.006 566 HA LEU 71 HA LEU 71 3.486 -2.980 0.012 567 HB2 LEU 71 HB2 LEU 71 4.261 -0.317 0.030 568 HB3 LEU 71 HB3 LEU 71 5.662 -1.073 -0.690 569 HG LEU 71 HG LEU 71 2.819 -1.309 -1.754 570 HD11 LEU 71 HD11 LEU 71 3.592 0.174 -3.563 571 HD12 LEU 71 HD12 LEU 71 5.121 0.396 -2.711 572 HD13 LEU 71 HD13 LEU 71 3.615 0.952 -1.981 573 HD21 LEU 71 HD21 LEU 71 5.423 -2.236 -3.005 574 HD22 LEU 71 HD22 LEU 71 3.834 -2.278 -3.772 575 HD23 LEU 71 HD23 LEU 71 4.152 -3.274 -2.354 576 H LYS 72 H LYS 72 6.671 -2.099 1.422 577 HA LYS 72 HA LYS 72 8.099 -4.112 -0.020 578 HB2 LYS 72 HB2 LYS 72 10.055 -3.494 1.359 579 HB3 LYS 72 HB3 LYS 72 9.271 -2.091 0.655 580 HG2 LYS 72 HG2 LYS 72 8.324 -1.442 2.758 581 HG3 LYS 72 HG3 LYS 72 8.763 -2.971 3.508 582 HD2 LYS 72 HD2 LYS 72 10.184 -1.076 4.243 583 HD3 LYS 72 HD3 LYS 72 11.112 -2.377 3.505 584 HE2 LYS 72 HE2 LYS 72 10.281 0.033 1.872 585 HE3 LYS 72 HE3 LYS 72 11.691 0.102 2.925 586 HZ1 LYS 72 HZ1 LYS 72 11.277 -1.731 0.633 587 HZ2 LYS 72 HZ2 LYS 72 12.567 -1.851 1.712 588 HZ3 LYS 72 HZ3 LYS 72 12.399 -0.477 0.750 589 H GLU 73 H GLU 73 6.553 -4.076 3.189 590 HA GLU 73 HA GLU 73 7.607 -6.553 4.114 591 HB2 GLU 73 HB2 GLU 73 4.852 -5.427 4.785 592 HB3 GLU 73 HB3 GLU 73 5.722 -6.661 5.685 593 HG2 GLU 73 HG2 GLU 73 6.320 -3.709 5.504 594 HG3 GLU 73 HG3 GLU 73 5.863 -4.631 6.923 595 H ALA 74 H ALA 74 4.912 -5.687 2.013 596 HA ALA 74 HA ALA 74 3.835 -8.304 1.705 597 HB1 ALA 74 HB1 ALA 74 2.531 -7.355 -0.148 598 HB2 ALA 74 HB2 ALA 74 3.516 -5.888 -0.116 599 HB3 ALA 74 HB3 ALA 74 2.488 -6.293 1.262 600 H ILE 75 H ILE 75 6.380 -6.481 -0.016 601 HA ILE 75 HA ILE 75 6.599 -8.132 -2.316 602 HB ILE 75 HB ILE 75 8.779 -6.435 -1.023 603 HG12 ILE 75 HG12 ILE 75 6.911 -4.991 -1.571 604 HG13 ILE 75 HG13 ILE 75 8.176 -4.705 -2.750 605 HG21 ILE 75 HG21 ILE 75 8.635 -7.538 -3.854 606 HG22 ILE 75 HG22 ILE 75 9.753 -8.049 -2.586 607 HG23 ILE 75 HG23 ILE 75 9.859 -6.420 -3.249 608 HD11 ILE 75 HD11 ILE 75 5.639 -6.274 -3.171 609 HD12 ILE 75 HD12 ILE 75 6.933 -6.098 -4.363 610 HD13 ILE 75 HD13 ILE 75 6.041 -4.682 -3.809 611 H THR 76 H THR 76 8.360 -8.149 0.782 612 HA THR 76 HA THR 76 10.026 -10.392 0.220 613 HB THR 76 HB THR 76 10.334 -10.428 2.762 614 HG1 THR 76 HG1 THR 76 9.231 -7.970 3.150 615 HG21 THR 76 HG21 THR 76 10.757 -7.749 1.382 616 HG22 THR 76 HG22 THR 76 11.862 -9.126 1.322 617 HG23 THR 76 HG23 THR 76 11.573 -8.296 2.851 618 H ALA 77 H ALA 77 6.708 -10.139 0.968 619 HA ALA 77 HA ALA 77 6.411 -12.944 1.778 620 HB1 ALA 77 HB1 ALA 77 4.053 -12.352 2.165 621 HB2 ALA 77 HB2 ALA 77 4.341 -10.726 1.535 622 HB3 ALA 77 HB3 ALA 77 5.133 -11.251 3.022 623 H ILE 78 H ILE 78 6.203 -10.957 -1.096 624 HA ILE 78 HA ILE 78 4.577 -12.800 -2.636 625 HB ILE 78 HB ILE 78 6.493 -10.700 -3.801 626 HG12 ILE 78 HG12 ILE 78 3.526 -10.324 -3.200 627 HG13 ILE 78 HG13 ILE 78 4.834 -9.602 -2.285 628 HG21 ILE 78 HG21 ILE 78 5.020 -10.835 -5.794 629 HG22 ILE 78 HG22 ILE 78 4.046 -12.067 -4.996 630 HG23 ILE 78 HG23 ILE 78 5.729 -12.404 -5.414 631 HD11 ILE 78 HD11 ILE 78 5.521 -8.312 -4.259 632 HD12 ILE 78 HD12 ILE 78 3.850 -7.993 -3.792 633 HD13 ILE 78 HD13 ILE 78 4.188 -9.028 -5.177 634 HA PRO 79 HA PRO 79 8.040 -15.710 -3.626 635 HB2 PRO 79 HB2 PRO 79 6.221 -16.357 -5.944 636 HB3 PRO 79 HB3 PRO 79 6.974 -17.454 -4.765 637 HG2 PRO 79 HG2 PRO 79 4.368 -16.910 -4.621 638 HG3 PRO 79 HG3 PRO 79 5.345 -17.065 -3.143 639 HD2 PRO 79 HD2 PRO 79 4.365 -14.560 -4.499 640 HD3 PRO 79 HD3 PRO 79 4.446 -14.948 -2.764 641 H GLU 80 H GLU 80 9.569 -15.897 -5.364 642 HA GLU 80 HA GLU 80 9.930 -13.495 -6.937 643 HB2 GLU 80 HB2 GLU 80 11.659 -15.992 -6.766 644 HB3 GLU 80 HB3 GLU 80 12.094 -14.494 -7.598 645 HG2 GLU 80 HG2 GLU 80 11.880 -13.285 -5.395 646 HG3 GLU 80 HG3 GLU 80 11.645 -14.854 -4.617 647 H GLU 81 H GLU 81 10.941 -13.968 -9.256 648 HA GLU 81 HA GLU 81 10.521 -14.294 -11.430 649 HB2 GLU 81 HB2 GLU 81 8.878 -16.713 -10.572 650 HB3 GLU 81 HB3 GLU 81 9.332 -16.343 -12.235 651 HG2 GLU 81 HG2 GLU 81 11.711 -16.646 -11.686 652 HG3 GLU 81 HG3 GLU 81 11.309 -16.951 -9.994 653 H GLU 82 H GLU 82 8.173 -13.385 -9.289 654 HA GLU 82 HA GLU 82 6.756 -11.830 -11.152 655 HB2 GLU 82 HB2 GLU 82 5.662 -14.447 -10.898 656 HB3 GLU 82 HB3 GLU 82 4.602 -13.459 -9.904 657 HG2 GLU 82 HG2 GLU 82 5.212 -13.168 -12.860 658 HG3 GLU 82 HG3 GLU 82 3.663 -13.559 -12.115 659 H GLY 83 H GLY 83 5.619 -10.172 -10.069 660 HA2 GLY 83 HA2 GLY 83 5.085 -8.754 -8.376 661 HA3 GLY 83 HA3 GLY 83 5.010 -10.135 -7.309 662 H ARG 84 H ARG 84 7.392 -10.985 -6.791 663 HA ARG 84 HA ARG 84 8.812 -9.060 -5.333 664 HB2 ARG 84 HB2 ARG 84 8.770 -11.787 -5.382 665 HB3 ARG 84 HB3 ARG 84 10.271 -11.545 -6.260 666 HG2 ARG 84 HG2 ARG 84 9.683 -10.497 -3.462 667 HG3 ARG 84 HG3 ARG 84 10.564 -11.980 -3.829 668 HD2 ARG 84 HD2 ARG 84 11.433 -9.156 -4.532 669 HD3 ARG 84 HD3 ARG 84 12.111 -10.187 -3.266 670 HE ARG 84 HE ARG 84 12.415 -11.680 -5.522 671 HH11 ARG 84 HH11 ARG 84 13.452 -8.418 -4.673 672 HH12 ARG 84 HH12 ARG 84 14.851 -8.471 -5.701 673 HH21 ARG 84 HH21 ARG 84 14.255 -11.745 -6.831 674 HH22 ARG 84 HH22 ARG 84 15.306 -10.364 -6.929 675 H LYS 85 H LYS 85 9.105 -10.105 -8.683 676 HA LYS 85 HA LYS 85 11.485 -8.498 -9.226 677 HB2 LYS 85 HB2 LYS 85 11.319 -9.291 -11.515 678 HB3 LYS 85 HB3 LYS 85 11.105 -10.666 -10.433 679 HG2 LYS 85 HG2 LYS 85 8.738 -10.744 -10.860 680 HG3 LYS 85 HG3 LYS 85 8.770 -9.192 -11.698 681 HD2 LYS 85 HD2 LYS 85 10.235 -10.277 -13.469 682 HD3 LYS 85 HD3 LYS 85 9.950 -11.826 -12.661 683 HE2 LYS 85 HE2 LYS 85 8.388 -11.606 -14.514 684 HE3 LYS 85 HE3 LYS 85 7.482 -11.488 -13.004 685 HZ1 LYS 85 HZ1 LYS 85 8.279 -9.251 -14.795 686 HZ2 LYS 85 HZ2 LYS 85 7.580 -9.025 -13.274 687 HZ3 LYS 85 HZ3 LYS 85 6.716 -9.810 -14.490 688 H GLU 86 H GLU 86 7.994 -8.143 -9.424 689 HA GLU 86 HA GLU 86 8.137 -6.022 -11.477 690 HB2 GLU 86 HB2 GLU 86 6.812 -8.119 -11.952 691 HB3 GLU 86 HB3 GLU 86 5.760 -7.734 -10.601 692 HG2 GLU 86 HG2 GLU 86 4.680 -7.121 -12.678 693 HG3 GLU 86 HG3 GLU 86 5.047 -5.657 -11.761 694 H ALA 87 H ALA 87 5.943 -6.842 -8.789 695 HA ALA 87 HA ALA 87 4.922 -4.287 -8.311 696 HB1 ALA 87 HB1 ALA 87 3.800 -6.366 -7.619 697 HB2 ALA 87 HB2 ALA 87 3.986 -5.255 -6.257 698 HB3 ALA 87 HB3 ALA 87 5.061 -6.649 -6.415 699 H LYS 88 H LYS 88 7.874 -5.773 -7.195 700 HA LYS 88 HA LYS 88 8.489 -4.275 -4.941 701 HB2 LYS 88 HB2 LYS 88 9.736 -6.262 -5.624 702 HB3 LYS 88 HB3 LYS 88 10.384 -5.407 -7.021 703 HG2 LYS 88 HG2 LYS 88 11.716 -3.958 -5.641 704 HG3 LYS 88 HG3 LYS 88 10.873 -4.473 -4.174 705 HD2 LYS 88 HD2 LYS 88 11.862 -6.684 -4.314 706 HD3 LYS 88 HD3 LYS 88 12.607 -6.303 -5.870 707 HE2 LYS 88 HE2 LYS 88 13.243 -4.909 -3.246 708 HE3 LYS 88 HE3 LYS 88 14.226 -6.173 -3.991 709 HZ1 LYS 88 HZ1 LYS 88 14.530 -4.714 -5.924 710 HZ2 LYS 88 HZ2 LYS 88 15.112 -4.009 -4.506 711 HZ3 LYS 88 HZ3 LYS 88 13.642 -3.501 -5.153 712 H GLU 89 H GLU 89 8.805 -3.410 -8.356 713 HA GLU 89 HA GLU 89 10.440 -1.119 -8.170 714 HB2 GLU 89 HB2 GLU 89 9.843 -2.289 -10.304 715 HB3 GLU 89 HB3 GLU 89 8.194 -1.685 -10.164 716 HG2 GLU 89 HG2 GLU 89 9.069 0.650 -10.330 717 HG3 GLU 89 HG3 GLU 89 10.696 -0.001 -10.520 718 H MET 90 H MET 90 7.043 -1.636 -7.603 719 HA MET 90 HA MET 90 6.209 1.102 -7.416 720 HB2 MET 90 HB2 MET 90 4.892 -1.394 -6.302 721 HB3 MET 90 HB3 MET 90 4.128 0.170 -6.522 722 HG2 MET 90 HG2 MET 90 4.517 -0.071 -8.987 723 HG3 MET 90 HG3 MET 90 5.057 -1.726 -8.672 724 HE1 MET 90 HE1 MET 90 2.843 -2.033 -6.024 725 HE2 MET 90 HE2 MET 90 3.386 -3.362 -7.047 726 HE3 MET 90 HE3 MET 90 1.662 -3.033 -6.868 727 H ALA 91 H ALA 91 7.182 -1.421 -5.095 728 HA ALA 91 HA ALA 91 6.783 -0.046 -2.690 729 HB1 ALA 91 HB1 ALA 91 8.461 -1.570 -1.718 730 HB2 ALA 91 HB2 ALA 91 8.958 -2.061 -3.342 731 HB3 ALA 91 HB3 ALA 91 7.334 -2.439 -2.764 732 H LYS 92 H LYS 92 9.502 -0.087 -4.947 733 HA LYS 92 HA LYS 92 11.287 1.579 -3.561 734 HB2 LYS 92 HB2 LYS 92 10.983 1.121 -6.552 735 HB3 LYS 92 HB3 LYS 92 12.344 1.956 -5.802 736 HG2 LYS 92 HG2 LYS 92 12.911 -0.132 -4.562 737 HG3 LYS 92 HG3 LYS 92 11.580 -0.953 -5.388 738 HD2 LYS 92 HD2 LYS 92 13.721 -1.440 -6.509 739 HD3 LYS 92 HD3 LYS 92 12.650 -0.530 -7.574 740 HE2 LYS 92 HE2 LYS 92 13.914 1.559 -6.957 741 HE3 LYS 92 HE3 LYS 92 15.028 0.558 -6.022 742 HZ1 LYS 92 HZ1 LYS 92 15.587 -0.636 -8.068 743 HZ2 LYS 92 HZ2 LYS 92 15.926 1.013 -8.196 744 HZ3 LYS 92 HZ3 LYS 92 14.561 0.372 -8.958 745 H LYS 93 H LYS 93 8.746 2.330 -5.958 746 HA LYS 93 HA LYS 93 9.155 5.081 -6.293 747 HB2 LYS 93 HB2 LYS 93 6.702 3.311 -6.480 748 HB3 LYS 93 HB3 LYS 93 6.523 5.049 -6.665 749 HG2 LYS 93 HG2 LYS 93 8.421 3.409 -8.362 750 HG3 LYS 93 HG3 LYS 93 6.734 3.706 -8.800 751 HD2 LYS 93 HD2 LYS 93 7.142 6.142 -8.786 752 HD3 LYS 93 HD3 LYS 93 8.817 5.869 -8.314 753 HE2 LYS 93 HE2 LYS 93 8.599 6.350 -10.730 754 HE3 LYS 93 HE3 LYS 93 9.261 4.740 -10.450 755 HZ1 LYS 93 HZ1 LYS 93 7.589 4.733 -12.194 756 HZ2 LYS 93 HZ2 LYS 93 6.433 5.352 -11.128 757 HZ3 LYS 93 HZ3 LYS 93 7.072 3.811 -10.874 758 H ALA 94 H ALA 94 7.068 3.378 -3.992 759 HA ALA 94 HA ALA 94 6.029 5.576 -2.601 760 HB1 ALA 94 HB1 ALA 94 5.371 3.929 -0.908 761 HB2 ALA 94 HB2 ALA 94 6.461 2.741 -1.628 762 HB3 ALA 94 HB3 ALA 94 5.059 3.315 -2.535 763 H GLU 95 H GLU 95 9.023 3.743 -2.150 764 HA GLU 95 HA GLU 95 9.930 4.917 0.284 765 HB2 GLU 95 HB2 GLU 95 11.457 3.583 -1.995 766 HB3 GLU 95 HB3 GLU 95 12.202 4.056 -0.469 767 HG2 GLU 95 HG2 GLU 95 10.819 2.485 0.756 768 HG3 GLU 95 HG3 GLU 95 9.907 2.098 -0.707 769 H GLU 96 H GLU 96 10.514 5.692 -3.155 770 HA GLU 96 HA GLU 96 12.425 7.739 -2.818 771 HB2 GLU 96 HB2 GLU 96 10.419 7.304 -5.080 772 HB3 GLU 96 HB3 GLU 96 11.754 8.454 -5.148 773 HG2 GLU 96 HG2 GLU 96 12.012 5.448 -4.883 774 HG3 GLU 96 HG3 GLU 96 12.258 6.375 -6.358 775 H TRP 97 H TRP 97 8.915 7.777 -2.958 776 HA TRP 97 HA TRP 97 8.483 10.571 -2.888 777 HB2 TRP 97 HB2 TRP 97 6.708 8.272 -1.959 778 HB3 TRP 97 HB3 TRP 97 6.165 9.929 -2.197 779 HD1 TRP 97 HD1 TRP 97 8.052 10.019 -5.062 780 HE1 TRP 97 HE1 TRP 97 6.931 9.009 -7.134 781 HE3 TRP 97 HE3 TRP 97 4.431 7.247 -2.770 782 HZ2 TRP 97 HZ2 TRP 97 4.791 7.274 -7.736 783 HZ3 TRP 97 HZ3 TRP 97 2.878 5.946 -4.163 784 HH2 TRP 97 HH2 TRP 97 3.067 5.969 -6.598 785 H LEU 98 H LEU 98 8.751 8.076 -0.372 786 HA LEU 98 HA LEU 98 8.179 9.710 1.865 787 HB2 LEU 98 HB2 LEU 98 8.080 7.249 1.919 788 HB3 LEU 98 HB3 LEU 98 9.813 7.155 1.654 789 HG LEU 98 HG LEU 98 10.227 8.172 3.890 790 HD11 LEU 98 HD11 LEU 98 8.243 9.574 4.099 791 HD12 LEU 98 HD12 LEU 98 8.392 8.498 5.487 792 HD13 LEU 98 HD13 LEU 98 7.212 8.142 4.220 793 HD21 LEU 98 HD21 LEU 98 8.374 5.770 3.989 794 HD22 LEU 98 HD22 LEU 98 9.490 6.272 5.262 795 HD23 LEU 98 HD23 LEU 98 10.117 5.733 3.706 796 H GLN 99 H GLN 99 11.197 8.974 0.133 797 HA GLN 99 HA GLN 99 12.964 10.300 1.959 798 HB2 GLN 99 HB2 GLN 99 13.422 9.602 -0.973 799 HB3 GLN 99 HB3 GLN 99 14.672 10.073 0.177 800 HG2 GLN 99 HG2 GLN 99 13.016 7.541 0.219 801 HG3 GLN 99 HG3 GLN 99 14.727 7.681 -0.148 802 HE21 GLN 99 HE21 GLN 99 13.196 6.164 1.931 803 HE22 GLN 99 HE22 GLN 99 13.932 6.593 3.433 804 H ALA 100 H ALA 100 10.990 11.333 -0.709 805 HA ALA 100 HA ALA 100 12.200 13.914 -1.099 806 HB1 ALA 100 HB1 ALA 100 9.494 12.850 -1.969 807 HB2 ALA 100 HB2 ALA 100 10.993 12.743 -2.893 808 HB3 ALA 100 HB3 ALA 100 10.273 14.320 -2.568 809 H GLU 101 H GLU 101 9.376 12.659 0.653 810 HA GLU 101 HA GLU 101 8.366 15.166 1.567 811 HB2 GLU 101 HB2 GLU 101 7.921 12.326 2.597 812 HB3 GLU 101 HB3 GLU 101 7.028 13.736 3.165 813 HG2 GLU 101 HG2 GLU 101 7.029 12.709 0.314 814 HG3 GLU 101 HG3 GLU 101 5.781 12.387 1.510 815 H GLN 102 H GLN 102 10.345 12.635 3.098 816 HA GLN 102 HA GLN 102 10.997 14.161 5.431 817 HB2 GLN 102 HB2 GLN 102 12.459 11.784 4.190 818 HB3 GLN 102 HB3 GLN 102 12.785 12.453 5.785 819 HG2 GLN 102 HG2 GLN 102 10.227 11.081 4.904 820 HG3 GLN 102 HG3 GLN 102 11.481 10.392 5.935 821 HE21 GLN 102 HE21 GLN 102 8.664 10.720 6.489 822 HE22 GLN 102 HE22 GLN 102 8.532 11.735 7.883 823 H ASN 103 H ASN 103 11.948 16.087 5.088 824 HA ASN 103 HA ASN 103 13.656 16.838 3.003 825 HB2 ASN 103 HB2 ASN 103 12.439 18.414 4.560 826 HB3 ASN 103 HB3 ASN 103 13.598 18.019 5.823 827 HD21 ASN 103 HD21 ASN 103 13.115 19.665 2.793 828 HD22 ASN 103 HD22 ASN 103 14.558 20.613 2.848 829 H ASN 104 H ASN 104 15.845 16.546 2.670 830 HA ASN 104 HA ASN 104 17.426 14.766 4.179 831 HB2 ASN 104 HB2 ASN 104 17.947 15.213 1.837 832 HB3 ASN 104 HB3 ASN 104 18.240 16.916 2.170 833 HD21 ASN 104 HD21 ASN 104 20.176 17.520 3.212 834 HD22 ASN 104 HD22 ASN 104 21.535 16.455 3.319 Start of MODEL 8 1 H1 ALA 1 H1 ALA 1 -13.246 -14.598 2.384 2 H2 ALA 1 H2 ALA 1 -12.944 -15.948 1.409 3 H3 ALA 1 H3 ALA 1 -13.795 -14.626 0.788 4 HA ALA 1 HA ALA 1 -10.971 -14.594 1.656 5 HB1 ALA 1 HB1 ALA 1 -12.153 -14.560 -1.139 6 HB2 ALA 1 HB2 ALA 1 -11.340 -15.934 -0.388 7 HB3 ALA 1 HB3 ALA 1 -10.433 -14.461 -0.746 8 H ASP 2 H ASP 2 -13.576 -12.809 -0.105 9 HA ASP 2 HA ASP 2 -12.049 -10.298 0.293 10 HB2 ASP 2 HB2 ASP 2 -13.432 -11.256 -2.237 11 HB3 ASP 2 HB3 ASP 2 -12.717 -9.657 -2.040 12 H GLU 3 H GLU 3 -14.267 -11.256 1.858 13 HA GLU 3 HA GLU 3 -16.683 -9.869 1.166 14 HB2 GLU 3 HB2 GLU 3 -15.778 -10.948 3.886 15 HB3 GLU 3 HB3 GLU 3 -17.404 -10.398 3.503 16 HG2 GLU 3 HG2 GLU 3 -17.387 -12.806 3.519 17 HG3 GLU 3 HG3 GLU 3 -17.625 -12.262 1.862 18 H ASN 4 H ASN 4 -14.119 -9.351 3.581 19 HA ASN 4 HA ASN 4 -14.939 -6.808 4.502 20 HB2 ASN 4 HB2 ASN 4 -13.454 -8.299 5.816 21 HB3 ASN 4 HB3 ASN 4 -12.183 -8.124 4.608 22 HD21 ASN 4 HD21 ASN 4 -13.927 -6.517 7.188 23 HD22 ASN 4 HD22 ASN 4 -12.833 -5.198 7.367 24 H ILE 5 H ILE 5 -12.975 -7.831 1.790 25 HA ILE 5 HA ILE 5 -11.723 -5.391 1.103 26 HB ILE 5 HB ILE 5 -12.481 -7.843 -0.535 27 HG12 ILE 5 HG12 ILE 5 -9.955 -8.083 -0.710 28 HG13 ILE 5 HG13 ILE 5 -9.796 -6.726 0.391 29 HG21 ILE 5 HG21 ILE 5 -11.145 -6.935 -2.440 30 HG22 ILE 5 HG22 ILE 5 -11.074 -5.378 -1.603 31 HG23 ILE 5 HG23 ILE 5 -12.627 -6.028 -2.132 32 HD11 ILE 5 HD11 ILE 5 -11.109 -9.351 1.047 33 HD12 ILE 5 HD12 ILE 5 -10.811 -8.019 2.161 34 HD13 ILE 5 HD13 ILE 5 -9.455 -8.901 1.450 35 H ALA 6 H ALA 6 -14.847 -6.839 0.165 36 HA ALA 6 HA ALA 6 -15.752 -4.931 -1.670 37 HB1 ALA 6 HB1 ALA 6 -17.412 -6.669 0.179 38 HB2 ALA 6 HB2 ALA 6 -16.780 -7.145 -1.401 39 HB3 ALA 6 HB3 ALA 6 -17.989 -5.864 -1.282 40 H LYS 7 H LYS 7 -15.829 -4.915 1.842 41 HA LYS 7 HA LYS 7 -17.633 -2.839 2.388 42 HB2 LYS 7 HB2 LYS 7 -16.825 -4.197 4.206 43 HB3 LYS 7 HB3 LYS 7 -15.151 -3.841 3.822 44 HG2 LYS 7 HG2 LYS 7 -15.545 -1.469 4.532 45 HG3 LYS 7 HG3 LYS 7 -17.170 -1.938 5.048 46 HD2 LYS 7 HD2 LYS 7 -16.251 -3.475 6.706 47 HD3 LYS 7 HD3 LYS 7 -14.610 -3.207 6.106 48 HE2 LYS 7 HE2 LYS 7 -14.992 -1.956 8.181 49 HE3 LYS 7 HE3 LYS 7 -14.732 -0.850 6.832 50 HZ1 LYS 7 HZ1 LYS 7 -17.103 -0.498 6.692 51 HZ2 LYS 7 HZ2 LYS 7 -16.572 -0.166 8.262 52 HZ3 LYS 7 HZ3 LYS 7 -17.383 -1.612 7.934 53 H PHE 8 H PHE 8 -14.106 -2.746 1.848 54 HA PHE 8 HA PHE 8 -13.967 0.129 2.096 55 HB2 PHE 8 HB2 PHE 8 -11.847 -1.932 1.405 56 HB3 PHE 8 HB3 PHE 8 -11.518 -0.208 1.582 57 HD1 PHE 8 HD1 PHE 8 -12.009 0.912 3.809 58 HD2 PHE 8 HD2 PHE 8 -11.946 -3.346 3.332 59 HE1 PHE 8 HE1 PHE 8 -11.798 0.641 6.240 60 HE2 PHE 8 HE2 PHE 8 -11.735 -3.600 5.775 61 HZ PHE 8 HZ PHE 8 -11.669 -1.613 7.225 62 H GLU 9 H GLU 9 -14.241 -2.127 -0.560 63 HA GLU 9 HA GLU 9 -13.579 -0.282 -2.647 64 HB2 GLU 9 HB2 GLU 9 -15.368 -2.751 -2.719 65 HB3 GLU 9 HB3 GLU 9 -14.834 -1.851 -4.138 66 HG2 GLU 9 HG2 GLU 9 -12.475 -2.393 -3.562 67 HG3 GLU 9 HG3 GLU 9 -13.050 -3.367 -2.209 68 H LYS 10 H LYS 10 -16.527 -1.120 -0.901 69 HA LYS 10 HA LYS 10 -18.354 0.553 -2.308 70 HB2 LYS 10 HB2 LYS 10 -18.781 -1.456 -0.648 71 HB3 LYS 10 HB3 LYS 10 -18.643 -0.255 0.623 72 HG2 LYS 10 HG2 LYS 10 -20.661 -0.106 -1.639 73 HG3 LYS 10 HG3 LYS 10 -21.001 -0.856 -0.081 74 HD2 LYS 10 HD2 LYS 10 -20.632 1.333 1.038 75 HD3 LYS 10 HD3 LYS 10 -20.277 2.072 -0.525 76 HE2 LYS 10 HE2 LYS 10 -22.579 1.515 -1.281 77 HE3 LYS 10 HE3 LYS 10 -22.927 0.849 0.318 78 HZ1 LYS 10 HZ1 LYS 10 -22.508 3.036 1.274 79 HZ2 LYS 10 HZ2 LYS 10 -23.727 3.118 0.104 80 HZ3 LYS 10 HZ3 LYS 10 -22.173 3.669 -0.258 81 H ALA 11 H ALA 11 -16.307 0.924 0.570 82 HA ALA 11 HA ALA 11 -17.113 3.525 1.360 83 HB1 ALA 11 HB1 ALA 11 -15.975 1.946 2.880 84 HB2 ALA 11 HB2 ALA 11 -15.122 3.488 2.802 85 HB3 ALA 11 HB3 ALA 11 -14.498 2.087 1.925 86 H TYR 12 H TYR 12 -14.801 2.355 -1.002 87 HA TYR 12 HA TYR 12 -13.413 4.867 -1.325 88 HB2 TYR 12 HB2 TYR 12 -12.527 2.381 -1.770 89 HB3 TYR 12 HB3 TYR 12 -13.228 2.623 -3.362 90 HD1 TYR 12 HD2 TYR 12 -12.505 4.984 -4.502 91 HD2 TYR 12 HD1 TYR 12 -10.238 2.928 -1.513 92 HE1 TYR 12 HE2 TYR 12 -10.488 6.209 -5.181 93 HE2 TYR 12 HE1 TYR 12 -8.243 4.151 -2.197 94 HH TYR 12 HH TYR 12 -8.303 6.870 -4.187 95 H LYS 13 H LYS 13 -14.766 6.453 -2.028 96 HA LYS 13 HA LYS 13 -16.789 6.068 -4.090 97 HB2 LYS 13 HB2 LYS 13 -15.932 8.556 -2.556 98 HB3 LYS 13 HB3 LYS 13 -17.331 8.457 -3.618 99 HG2 LYS 13 HG2 LYS 13 -18.407 6.866 -2.104 100 HG3 LYS 13 HG3 LYS 13 -16.982 6.865 -1.056 101 HD2 LYS 13 HD2 LYS 13 -17.322 9.272 -0.575 102 HD3 LYS 13 HD3 LYS 13 -18.716 9.306 -1.658 103 HE2 LYS 13 HE2 LYS 13 -19.910 7.749 -0.191 104 HE3 LYS 13 HE3 LYS 13 -18.505 7.642 0.869 105 HZ1 LYS 13 HZ1 LYS 13 -20.041 10.130 0.338 106 HZ2 LYS 13 HZ2 LYS 13 -18.752 9.957 1.417 107 HZ3 LYS 13 HZ3 LYS 13 -20.209 9.154 1.708 108 H LYS 14 H LYS 14 -13.846 5.920 -4.742 109 HA LYS 14 HA LYS 14 -12.340 6.443 -6.274 110 HB2 LYS 14 HB2 LYS 14 -14.358 5.998 -7.784 111 HB3 LYS 14 HB3 LYS 14 -14.531 7.741 -7.934 112 HG2 LYS 14 HG2 LYS 14 -13.322 6.768 -9.859 113 HG3 LYS 14 HG3 LYS 14 -12.300 7.899 -8.961 114 HD2 LYS 14 HD2 LYS 14 -11.137 6.034 -7.861 115 HD3 LYS 14 HD3 LYS 14 -12.228 4.871 -8.617 116 HE2 LYS 14 HE2 LYS 14 -10.332 6.676 -10.156 117 HE3 LYS 14 HE3 LYS 14 -9.974 5.011 -9.694 118 HZ1 LYS 14 HZ1 LYS 14 -12.238 5.841 -11.433 119 HZ2 LYS 14 HZ2 LYS 14 -11.815 4.249 -11.029 120 HZ3 LYS 14 HZ3 LYS 14 -10.776 5.188 -11.974 121 H ALA 15 H ALA 15 -11.042 7.786 -5.214 122 HA ALA 15 HA ALA 15 -11.532 10.415 -4.389 123 HB1 ALA 15 HB1 ALA 15 -9.130 10.469 -3.830 124 HB2 ALA 15 HB2 ALA 15 -8.873 8.999 -4.777 125 HB3 ALA 15 HB3 ALA 15 -9.883 8.951 -3.326 126 H GLU 16 H GLU 16 -10.499 9.208 -7.449 127 HA GLU 16 HA GLU 16 -9.076 11.570 -8.327 128 HB2 GLU 16 HB2 GLU 16 -9.921 9.101 -9.902 129 HB3 GLU 16 HB3 GLU 16 -8.751 10.321 -10.420 130 HG2 GLU 16 HG2 GLU 16 -7.297 9.699 -8.486 131 HG3 GLU 16 HG3 GLU 16 -8.450 8.432 -8.060 132 H GLU 17 H GLU 17 -12.331 10.367 -8.424 133 HA GLU 17 HA GLU 17 -13.101 12.225 -10.585 134 HB2 GLU 17 HB2 GLU 17 -13.663 9.768 -10.836 135 HB3 GLU 17 HB3 GLU 17 -14.736 9.924 -9.451 136 HG2 GLU 17 HG2 GLU 17 -15.987 10.032 -11.562 137 HG3 GLU 17 HG3 GLU 17 -16.119 11.550 -10.672 138 H LEU 18 H LEU 18 -14.461 10.970 -7.501 139 HA LEU 18 HA LEU 18 -16.033 13.380 -7.083 140 HB2 LEU 18 HB2 LEU 18 -16.462 10.826 -6.287 141 HB3 LEU 18 HB3 LEU 18 -15.590 11.371 -4.865 142 HG LEU 18 HG LEU 18 -18.178 12.599 -5.920 143 HD11 LEU 18 HD11 LEU 18 -19.263 11.595 -3.973 144 HD12 LEU 18 HD12 LEU 18 -17.749 10.803 -3.521 145 HD13 LEU 18 HD13 LEU 18 -18.560 10.375 -5.031 146 HD21 LEU 18 HD21 LEU 18 -16.836 14.286 -4.756 147 HD22 LEU 18 HD22 LEU 18 -16.687 13.232 -3.350 148 HD23 LEU 18 HD23 LEU 18 -18.267 13.870 -3.818 149 H ASN 19 H ASN 19 -15.194 15.195 -6.215 150 HA ASN 19 HA ASN 19 -12.477 15.504 -5.520 151 HB2 ASN 19 HB2 ASN 19 -14.839 17.381 -5.050 152 HB3 ASN 19 HB3 ASN 19 -13.151 17.851 -4.903 153 HD21 ASN 19 HD21 ASN 19 -11.992 18.298 -6.740 154 HD22 ASN 19 HD22 ASN 19 -12.681 18.358 -8.325 155 H GLN 20 H GLN 20 -11.976 14.099 -3.823 156 HA GLN 20 HA GLN 20 -12.650 15.032 -1.110 157 HB2 GLN 20 HB2 GLN 20 -12.799 12.126 -2.006 158 HB3 GLN 20 HB3 GLN 20 -12.842 12.647 -0.325 159 HG2 GLN 20 HG2 GLN 20 -14.975 13.694 -0.624 160 HG3 GLN 20 HG3 GLN 20 -14.901 13.496 -2.370 161 HE21 GLN 20 HE21 GLN 20 -15.279 11.453 -3.256 162 HE22 GLN 20 HE22 GLN 20 -16.041 10.199 -2.357 163 H GLY 21 H GLY 21 -10.868 12.300 -2.627 164 HA2 GLY 21 HA2 GLY 21 -8.661 11.729 -2.680 165 HA3 GLY 21 HA3 GLY 21 -8.252 13.333 -2.093 166 H GLU 22 H GLU 22 -8.659 13.716 0.213 167 HA GLU 22 HA GLU 22 -7.093 12.229 1.900 168 HB2 GLU 22 HB2 GLU 22 -7.746 14.609 2.192 169 HB3 GLU 22 HB3 GLU 22 -9.381 14.113 2.617 170 HG2 GLU 22 HG2 GLU 22 -8.381 12.876 4.593 171 HG3 GLU 22 HG3 GLU 22 -6.840 13.646 4.205 172 H LEU 23 H LEU 23 -10.531 11.886 1.320 173 HA LEU 23 HA LEU 23 -11.099 10.315 3.682 174 HB2 LEU 23 HB2 LEU 23 -12.881 10.848 1.276 175 HB3 LEU 23 HB3 LEU 23 -13.397 10.259 2.851 176 HG LEU 23 HG LEU 23 -12.383 13.045 2.168 177 HD11 LEU 23 HD11 LEU 23 -15.092 12.124 3.179 178 HD12 LEU 23 HD12 LEU 23 -14.706 12.679 1.548 179 HD13 LEU 23 HD13 LEU 23 -14.601 13.801 2.902 180 HD21 LEU 23 HD21 LEU 23 -12.733 13.636 4.543 181 HD22 LEU 23 HD22 LEU 23 -11.448 12.455 4.326 182 HD23 LEU 23 HD23 LEU 23 -13.028 11.933 4.917 183 H MET 24 H MET 24 -9.515 9.530 0.954 184 HA MET 24 HA MET 24 -10.200 6.680 1.107 185 HB2 MET 24 HB2 MET 24 -10.280 8.397 -1.397 186 HB3 MET 24 HB3 MET 24 -9.944 6.678 -1.501 187 HG2 MET 24 HG2 MET 24 -12.084 6.067 -0.846 188 HG3 MET 24 HG3 MET 24 -12.398 7.596 -0.028 189 HE1 MET 24 HE1 MET 24 -11.621 9.796 -2.019 190 HE2 MET 24 HE2 MET 24 -13.126 9.735 -1.097 191 HE3 MET 24 HE3 MET 24 -13.165 10.036 -2.835 192 H GLY 25 H GLY 25 -8.506 5.745 -0.847 193 HA2 GLY 25 HA2 GLY 25 -6.257 5.268 -1.252 194 HA3 GLY 25 HA3 GLY 25 -5.788 6.566 -0.154 195 H ARG 26 H ARG 26 -6.855 6.116 2.138 196 HA ARG 26 HA ARG 26 -5.584 3.994 3.406 197 HB2 ARG 26 HB2 ARG 26 -6.394 6.117 4.469 198 HB3 ARG 26 HB3 ARG 26 -8.043 5.510 4.364 199 HG2 ARG 26 HG2 ARG 26 -7.545 3.721 5.936 200 HG3 ARG 26 HG3 ARG 26 -5.826 4.141 5.927 201 HD2 ARG 26 HD2 ARG 26 -8.093 5.876 6.961 202 HD3 ARG 26 HD3 ARG 26 -6.913 4.999 7.942 203 HE ARG 26 HE ARG 26 -6.089 7.128 6.055 204 HH11 ARG 26 HH11 ARG 26 -6.133 5.860 9.341 205 HH12 ARG 26 HH12 ARG 26 -5.012 7.041 9.932 206 HH21 ARG 26 HH21 ARG 26 -4.600 8.626 6.827 207 HH22 ARG 26 HH22 ARG 26 -4.142 8.613 8.500 208 H ALA 27 H ALA 27 -8.880 4.238 2.109 209 HA ALA 27 HA ALA 27 -9.983 1.837 2.988 210 HB1 ALA 27 HB1 ALA 27 -11.276 3.571 1.812 211 HB2 ALA 27 HB2 ALA 27 -11.489 1.994 1.045 212 HB3 ALA 27 HB3 ALA 27 -10.425 3.198 0.312 213 H LEU 28 H LEU 28 -7.975 2.440 0.043 214 HA LEU 28 HA LEU 28 -7.935 -0.245 -0.849 215 HB2 LEU 28 HB2 LEU 28 -6.152 2.110 -1.462 216 HB3 LEU 28 HB3 LEU 28 -5.755 0.519 -2.088 217 HG LEU 28 HG LEU 28 -8.246 2.129 -2.696 218 HD11 LEU 28 HD11 LEU 28 -6.255 2.939 -3.861 219 HD12 LEU 28 HD12 LEU 28 -7.403 2.218 -4.985 220 HD13 LEU 28 HD13 LEU 28 -5.958 1.322 -4.505 221 HD21 LEU 28 HD21 LEU 28 -8.892 0.329 -4.235 222 HD22 LEU 28 HD22 LEU 28 -8.849 -0.224 -2.564 223 HD23 LEU 28 HD23 LEU 28 -7.536 -0.649 -3.662 224 H TYR 29 H TYR 29 -5.902 1.571 1.387 225 HA TYR 29 HA TYR 29 -3.722 -0.166 1.650 226 HB2 TYR 29 HB2 TYR 29 -3.636 2.095 2.592 227 HB3 TYR 29 HB3 TYR 29 -4.954 1.734 3.698 228 HD1 TYR 29 HD2 TYR 29 -1.503 0.483 2.855 229 HD2 TYR 29 HD1 TYR 29 -4.372 1.195 5.945 230 HE1 TYR 29 HE2 TYR 29 0.138 -0.202 4.539 231 HE2 TYR 29 HE1 TYR 29 -2.716 0.508 7.631 232 HH TYR 29 HH TYR 29 -0.670 -0.850 7.767 233 H ASN 30 H ASN 30 -6.838 -0.101 3.421 234 HA ASN 30 HA ASN 30 -6.238 -2.257 5.184 235 HB2 ASN 30 HB2 ASN 30 -8.950 -1.152 4.355 236 HB3 ASN 30 HB3 ASN 30 -8.695 -2.316 5.654 237 HD21 ASN 30 HD21 ASN 30 -8.718 0.987 4.821 238 HD22 ASN 30 HD22 ASN 30 -8.187 1.598 6.346 239 H ILE 31 H ILE 31 -7.756 -2.113 1.973 240 HA ILE 31 HA ILE 31 -8.554 -4.815 1.742 241 HB ILE 31 HB ILE 31 -7.645 -2.856 -0.422 242 HG12 ILE 31 HG12 ILE 31 -10.463 -3.661 0.442 243 HG13 ILE 31 HG13 ILE 31 -9.664 -2.149 0.854 244 HG21 ILE 31 HG21 ILE 31 -8.759 -4.330 -2.066 245 HG22 ILE 31 HG22 ILE 31 -9.068 -5.511 -0.795 246 HG23 ILE 31 HG23 ILE 31 -7.412 -5.143 -1.270 247 HD11 ILE 31 HD11 ILE 31 -10.443 -3.039 -1.922 248 HD12 ILE 31 HD12 ILE 31 -9.609 -1.536 -1.518 249 HD13 ILE 31 HD13 ILE 31 -11.248 -1.820 -0.934 250 H GLY 32 H GLY 32 -5.509 -3.137 1.087 251 HA2 GLY 32 HA2 GLY 32 -3.991 -5.266 0.051 252 HA3 GLY 32 HA3 GLY 32 -3.359 -3.820 0.824 253 H LEU 33 H LEU 33 -4.588 -4.160 3.379 254 HA LEU 33 HA LEU 33 -2.720 -5.809 4.719 255 HB2 LEU 33 HB2 LEU 33 -5.348 -4.624 5.718 256 HB3 LEU 33 HB3 LEU 33 -4.177 -5.419 6.763 257 HG LEU 33 HG LEU 33 -3.702 -2.858 5.191 258 HD11 LEU 33 HD11 LEU 33 -3.644 -1.743 7.371 259 HD12 LEU 33 HD12 LEU 33 -4.087 -3.256 8.168 260 HD13 LEU 33 HD13 LEU 33 -5.212 -2.479 7.049 261 HD21 LEU 33 HD21 LEU 33 -1.644 -4.148 5.382 262 HD22 LEU 33 HD22 LEU 33 -1.859 -4.278 7.131 263 HD23 LEU 33 HD23 LEU 33 -1.574 -2.703 6.385 264 H GLU 34 H GLU 34 -6.096 -6.279 3.787 265 HA GLU 34 HA GLU 34 -6.525 -8.786 5.048 266 HB2 GLU 34 HB2 GLU 34 -7.929 -7.464 2.695 267 HB3 GLU 34 HB3 GLU 34 -8.506 -8.927 3.488 268 HG2 GLU 34 HG2 GLU 34 -8.224 -6.192 4.751 269 HG3 GLU 34 HG3 GLU 34 -9.728 -6.969 4.261 270 H LYS 35 H LYS 35 -5.626 -7.883 1.729 271 HA LYS 35 HA LYS 35 -5.433 -10.439 0.591 272 HB2 LYS 35 HB2 LYS 35 -4.449 -7.695 -0.085 273 HB3 LYS 35 HB3 LYS 35 -3.512 -8.997 -0.794 274 HG2 LYS 35 HG2 LYS 35 -5.186 -8.225 -2.354 275 HG3 LYS 35 HG3 LYS 35 -5.528 -9.889 -1.874 276 HD2 LYS 35 HD2 LYS 35 -7.328 -9.156 -0.431 277 HD3 LYS 35 HD3 LYS 35 -6.923 -7.458 -0.714 278 HE2 LYS 35 HE2 LYS 35 -8.870 -8.163 -2.059 279 HE3 LYS 35 HE3 LYS 35 -7.521 -7.694 -3.092 280 HZ1 LYS 35 HZ1 LYS 35 -8.583 -9.710 -3.885 281 HZ2 LYS 35 HZ2 LYS 35 -8.306 -10.480 -2.405 282 HZ3 LYS 35 HZ3 LYS 35 -7.001 -10.054 -3.395 283 H ASN 36 H ASN 36 -3.012 -8.418 2.199 284 HA ASN 36 HA ASN 36 -0.768 -10.082 1.953 285 HB2 ASN 36 HB2 ASN 36 -0.787 -7.614 2.626 286 HB3 ASN 36 HB3 ASN 36 -1.285 -8.118 4.237 287 HD21 ASN 36 HD21 ASN 36 0.566 -7.362 5.250 288 HD22 ASN 36 HD22 ASN 36 2.131 -8.058 5.017 289 H LYS 37 H LYS 37 -3.339 -9.933 4.350 290 HA LYS 37 HA LYS 37 -2.258 -11.701 6.284 291 HB2 LYS 37 HB2 LYS 37 -4.083 -10.076 6.756 292 HB3 LYS 37 HB3 LYS 37 -5.161 -10.975 5.697 293 HG2 LYS 37 HG2 LYS 37 -5.619 -11.448 8.066 294 HG3 LYS 37 HG3 LYS 37 -5.093 -12.902 7.208 295 HD2 LYS 37 HD2 LYS 37 -2.805 -12.608 8.134 296 HD3 LYS 37 HD3 LYS 37 -3.341 -11.170 9.011 297 HE2 LYS 37 HE2 LYS 37 -4.842 -12.511 10.370 298 HE3 LYS 37 HE3 LYS 37 -4.502 -13.946 9.394 299 HZ1 LYS 37 HZ1 LYS 37 -2.519 -12.494 11.062 300 HZ2 LYS 37 HZ2 LYS 37 -2.209 -13.865 10.124 301 HZ3 LYS 37 HZ3 LYS 37 -3.247 -13.970 11.452 302 H MET 38 H MET 38 -4.347 -12.180 3.435 303 HA MET 38 HA MET 38 -4.764 -15.008 3.883 304 HB2 MET 38 HB2 MET 38 -5.290 -13.306 1.409 305 HB3 MET 38 HB3 MET 38 -5.820 -14.969 1.615 306 HG2 MET 38 HG2 MET 38 -7.216 -14.230 3.550 307 HG3 MET 38 HG3 MET 38 -6.750 -12.565 3.199 308 HE1 MET 38 HE1 MET 38 -7.176 -11.462 0.730 309 HE2 MET 38 HE2 MET 38 -8.296 -12.144 -0.448 310 HE3 MET 38 HE3 MET 38 -6.721 -12.900 -0.196 311 H GLY 39 H GLY 39 -2.113 -13.254 2.796 312 HA2 GLY 39 HA2 GLY 39 -0.036 -14.151 2.180 313 HA3 GLY 39 HA3 GLY 39 -0.821 -15.634 1.650 314 H LYS 40 H LYS 40 -2.642 -13.184 0.435 315 HA LYS 40 HA LYS 40 -1.532 -13.269 -2.236 316 HB2 LYS 40 HB2 LYS 40 -3.811 -11.554 -1.135 317 HB3 LYS 40 HB3 LYS 40 -3.431 -11.796 -2.835 318 HG2 LYS 40 HG2 LYS 40 -4.447 -13.902 -0.908 319 HG3 LYS 40 HG3 LYS 40 -5.383 -13.082 -2.165 320 HD2 LYS 40 HD2 LYS 40 -3.655 -14.052 -3.838 321 HD3 LYS 40 HD3 LYS 40 -3.134 -15.098 -2.510 322 HE2 LYS 40 HE2 LYS 40 -4.740 -16.275 -3.912 323 HE3 LYS 40 HE3 LYS 40 -5.469 -15.969 -2.340 324 HZ1 LYS 40 HZ1 LYS 40 -5.899 -14.257 -4.730 325 HZ2 LYS 40 HZ2 LYS 40 -6.708 -14.165 -3.246 326 HZ3 LYS 40 HZ3 LYS 40 -6.945 -15.500 -4.253 327 H ALA 41 H ALA 41 0.563 -12.428 -1.371 328 HA ALA 41 HA ALA 41 0.773 -9.733 -0.356 329 HB1 ALA 41 HB1 ALA 41 2.236 -11.558 0.414 330 HB2 ALA 41 HB2 ALA 41 3.162 -10.219 -0.259 331 HB3 ALA 41 HB3 ALA 41 2.929 -11.692 -1.205 332 H ARG 42 H ARG 42 1.097 -11.305 -3.454 333 HA ARG 42 HA ARG 42 2.307 -9.251 -4.978 334 HB2 ARG 42 HB2 ARG 42 2.159 -11.562 -5.808 335 HB3 ARG 42 HB3 ARG 42 0.409 -11.510 -5.755 336 HG2 ARG 42 HG2 ARG 42 1.195 -11.393 -8.046 337 HG3 ARG 42 HG3 ARG 42 0.385 -9.890 -7.609 338 HD2 ARG 42 HD2 ARG 42 3.403 -10.111 -7.440 339 HD3 ARG 42 HD3 ARG 42 2.612 -9.793 -8.982 340 HE ARG 42 HE ARG 42 2.699 -8.014 -6.650 341 HH11 ARG 42 HH11 ARG 42 1.662 -8.519 -10.002 342 HH12 ARG 42 HH12 ARG 42 1.305 -6.839 -10.263 343 HH21 ARG 42 HH21 ARG 42 2.192 -5.832 -7.031 344 HH22 ARG 42 HH22 ARG 42 1.608 -5.333 -8.585 345 H GLU 43 H GLU 43 -1.125 -10.161 -4.442 346 HA GLU 43 HA GLU 43 -2.319 -7.941 -5.736 347 HB2 GLU 43 HB2 GLU 43 -3.374 -9.726 -3.514 348 HB3 GLU 43 HB3 GLU 43 -4.350 -8.498 -4.315 349 HG2 GLU 43 HG2 GLU 43 -3.944 -9.706 -6.488 350 HG3 GLU 43 HG3 GLU 43 -3.152 -10.985 -5.558 351 H ALA 44 H ALA 44 -1.284 -8.486 -2.402 352 HA ALA 44 HA ALA 44 -2.399 -6.260 -1.115 353 HB1 ALA 44 HB1 ALA 44 -0.714 -6.660 0.637 354 HB2 ALA 44 HB2 ALA 44 0.186 -7.719 -0.453 355 HB3 ALA 44 HB3 ALA 44 -1.429 -8.177 0.090 356 H ALA 45 H ALA 45 0.751 -6.734 -2.653 357 HA ALA 45 HA ALA 45 1.994 -4.309 -2.112 358 HB1 ALA 45 HB1 ALA 45 2.303 -6.082 -4.559 359 HB2 ALA 45 HB2 ALA 45 3.147 -6.282 -3.021 360 HB3 ALA 45 HB3 ALA 45 3.455 -4.859 -4.018 361 H GLU 46 H GLU 46 -0.349 -5.157 -4.612 362 HA GLU 46 HA GLU 46 -0.168 -2.840 -6.243 363 HB2 GLU 46 HB2 GLU 46 -2.580 -4.644 -5.791 364 HB3 GLU 46 HB3 GLU 46 -2.374 -3.508 -7.118 365 HG2 GLU 46 HG2 GLU 46 -0.419 -4.853 -7.901 366 HG3 GLU 46 HG3 GLU 46 -0.770 -6.026 -6.626 367 H TYR 47 H TYR 47 -2.368 -3.743 -3.589 368 HA TYR 47 HA TYR 47 -3.929 -1.361 -3.708 369 HB2 TYR 47 HB2 TYR 47 -3.691 -3.500 -1.556 370 HB3 TYR 47 HB3 TYR 47 -4.851 -2.176 -1.497 371 HD1 TYR 47 HD1 TYR 47 -6.455 -1.917 -3.498 372 HD2 TYR 47 HD2 TYR 47 -4.308 -5.516 -2.685 373 HE1 TYR 47 HE1 TYR 47 -8.073 -3.187 -4.834 374 HE2 TYR 47 HE2 TYR 47 -5.908 -6.783 -4.032 375 HH TYR 47 HH TYR 47 -8.258 -6.574 -4.775 376 H PHE 48 H PHE 48 -1.112 -2.329 -1.816 377 HA PHE 48 HA PHE 48 -1.083 -0.139 -0.000 378 HB2 PHE 48 HB2 PHE 48 1.173 -1.954 -0.958 379 HB3 PHE 48 HB3 PHE 48 1.375 -0.741 0.301 380 HD1 PHE 48 HD1 PHE 48 -1.203 -1.111 1.795 381 HD2 PHE 48 HD2 PHE 48 1.570 -3.976 0.245 382 HE1 PHE 48 HE1 PHE 48 -1.868 -2.703 3.530 383 HE2 PHE 48 HE2 PHE 48 0.888 -5.572 1.988 384 HZ PHE 48 HZ PHE 48 -0.828 -4.938 3.631 385 H PHE 49 H PHE 49 0.188 -0.664 -3.241 386 HA PHE 49 HA PHE 49 1.807 1.678 -3.387 387 HB2 PHE 49 HB2 PHE 49 2.179 -0.264 -4.876 388 HB3 PHE 49 HB3 PHE 49 0.608 -0.004 -5.634 389 HD1 PHE 49 HD2 PHE 49 3.485 2.232 -4.731 390 HD2 PHE 49 HD1 PHE 49 0.887 0.848 -7.842 391 HE1 PHE 49 HE2 PHE 49 4.566 3.739 -6.318 392 HE2 PHE 49 HE1 PHE 49 2.001 2.373 -9.428 393 HZ PHE 49 HZ PHE 49 3.855 3.820 -8.665 394 H ARG 50 H ARG 50 -1.421 0.876 -4.616 395 HA ARG 50 HA ARG 50 -1.906 3.393 -5.858 396 HB2 ARG 50 HB2 ARG 50 -3.832 1.160 -5.089 397 HB3 ARG 50 HB3 ARG 50 -4.227 2.515 -6.151 398 HG2 ARG 50 HG2 ARG 50 -2.569 1.785 -7.780 399 HG3 ARG 50 HG3 ARG 50 -2.020 0.505 -6.699 400 HD2 ARG 50 HD2 ARG 50 -4.306 -0.522 -6.863 401 HD3 ARG 50 HD3 ARG 50 -4.711 0.687 -8.089 402 HE ARG 50 HE ARG 50 -2.672 -0.259 -9.311 403 HH11 ARG 50 HH11 ARG 50 -4.805 -2.236 -7.310 404 HH12 ARG 50 HH12 ARG 50 -4.453 -3.698 -8.179 405 HH21 ARG 50 HH21 ARG 50 -2.204 -2.187 -10.420 406 HH22 ARG 50 HH22 ARG 50 -2.978 -3.668 -9.940 407 H ALA 51 H ALA 51 -2.578 2.044 -2.680 408 HA ALA 51 HA ALA 51 -4.038 4.181 -1.548 409 HB1 ALA 51 HB1 ALA 51 -3.763 2.018 -0.401 410 HB2 ALA 51 HB2 ALA 51 -3.200 3.342 0.622 411 HB3 ALA 51 HB3 ALA 51 -2.032 2.317 -0.219 412 H ALA 52 H ALA 52 -0.529 3.478 -1.708 413 HA ALA 52 HA ALA 52 0.443 5.696 -0.302 414 HB1 ALA 52 HB1 ALA 52 1.866 4.108 -2.467 415 HB2 ALA 52 HB2 ALA 52 1.803 3.693 -0.751 416 HB3 ALA 52 HB3 ALA 52 2.633 5.160 -1.275 417 H ILE 53 H ILE 53 -0.416 5.331 -3.701 418 HA ILE 53 HA ILE 53 0.633 7.709 -4.767 419 HB ILE 53 HB ILE 53 -1.841 6.100 -5.567 420 HG12 ILE 53 HG12 ILE 53 0.900 6.261 -6.901 421 HG13 ILE 53 HG13 ILE 53 0.402 4.970 -5.827 422 HG21 ILE 53 HG21 ILE 53 -1.847 7.322 -7.722 423 HG22 ILE 53 HG22 ILE 53 -0.569 8.380 -7.120 424 HG23 ILE 53 HG23 ILE 53 -2.161 8.401 -6.362 425 HD11 ILE 53 HD11 ILE 53 -0.789 5.610 -8.528 426 HD12 ILE 53 HD12 ILE 53 -1.366 4.348 -7.434 427 HD13 ILE 53 HD13 ILE 53 0.256 4.251 -8.114 428 H VAL 54 H VAL 54 -2.618 7.024 -3.393 429 HA VAL 54 HA VAL 54 -3.665 9.638 -3.715 430 HB VAL 54 HB VAL 54 -4.570 7.508 -1.723 431 HG11 VAL 54 HG11 VAL 54 -5.530 9.725 -1.215 432 HG12 VAL 54 HG12 VAL 54 -6.779 8.632 -1.811 433 HG13 VAL 54 HG13 VAL 54 -6.110 9.872 -2.876 434 HG21 VAL 54 HG21 VAL 54 -6.156 6.781 -3.472 435 HG22 VAL 54 HG22 VAL 54 -4.489 6.632 -4.030 436 HG23 VAL 54 HG23 VAL 54 -5.487 7.975 -4.589 437 H PHE 55 H PHE 55 -2.031 8.026 -0.992 438 HA PHE 55 HA PHE 55 -2.269 10.047 0.960 439 HB2 PHE 55 HB2 PHE 55 -0.075 7.962 0.589 440 HB3 PHE 55 HB3 PHE 55 -0.214 8.992 2.010 441 HD1 PHE 55 HD1 PHE 55 -3.027 8.946 2.714 442 HD2 PHE 55 HD2 PHE 55 -0.578 5.774 1.215 443 HE1 PHE 55 HE1 PHE 55 -4.461 7.283 3.825 444 HE2 PHE 55 HE2 PHE 55 -2.025 4.133 2.319 445 HZ PHE 55 HZ PHE 55 -3.958 4.885 3.625 446 H TYR 56 H TYR 56 0.188 9.461 -1.528 447 HA TYR 56 HA TYR 56 2.039 11.465 -0.800 448 HB2 TYR 56 HB2 TYR 56 2.670 9.600 -2.240 449 HB3 TYR 56 HB3 TYR 56 1.499 10.083 -3.461 450 HD1 TYR 56 HD2 TYR 56 4.483 11.453 -1.642 451 HD2 TYR 56 HD1 TYR 56 2.298 11.316 -5.306 452 HE1 TYR 56 HE2 TYR 56 6.225 12.787 -2.719 453 HE2 TYR 56 HE1 TYR 56 4.034 12.655 -6.389 454 HH TYR 56 HH TYR 56 5.829 14.352 -5.621 455 H LYS 57 H LYS 57 -0.546 11.451 -3.249 456 HA LYS 57 HA LYS 57 -0.453 14.066 -4.164 457 HB2 LYS 57 HB2 LYS 57 -2.636 12.001 -3.946 458 HB3 LYS 57 HB3 LYS 57 -3.126 13.641 -4.332 459 HG2 LYS 57 HG2 LYS 57 -2.882 12.277 -6.345 460 HG3 LYS 57 HG3 LYS 57 -1.753 13.633 -6.335 461 HD2 LYS 57 HD2 LYS 57 0.088 12.166 -5.745 462 HD3 LYS 57 HD3 LYS 57 -1.005 10.798 -5.552 463 HE2 LYS 57 HE2 LYS 57 0.239 10.683 -7.669 464 HE3 LYS 57 HE3 LYS 57 -1.494 10.821 -7.954 465 HZ1 LYS 57 HZ1 LYS 57 0.454 13.068 -8.096 466 HZ2 LYS 57 HZ2 LYS 57 -1.197 13.172 -8.431 467 HZ3 LYS 57 HZ3 LYS 57 -0.186 12.251 -9.433 468 H GLU 58 H GLU 58 -2.118 12.793 -1.285 469 HA GLU 58 HA GLU 58 -3.174 15.368 -0.507 470 HB2 GLU 58 HB2 GLU 58 -3.126 12.699 0.972 471 HB3 GLU 58 HB3 GLU 58 -3.977 14.136 1.540 472 HG2 GLU 58 HG2 GLU 58 -4.565 12.548 -0.974 473 HG3 GLU 58 HG3 GLU 58 -5.547 12.619 0.488 474 H HIS 59 H HIS 59 -0.207 13.869 -0.229 475 HA HIS 59 HA HIS 59 1.719 14.189 0.825 476 HB2 HIS 59 HB2 HIS 59 0.490 16.858 1.607 477 HB3 HIS 59 HB3 HIS 59 2.173 16.432 1.919 478 HD1 HIS 59 HD1 HIS 59 3.756 16.239 -0.144 479 HD2 HIS 59 HD2 HIS 59 -0.092 17.478 -1.066 480 HE1 HIS 59 HE1 HIS 59 3.873 17.109 -2.492 481 HE2 HIS 59 HE2 HIS 59 1.496 17.684 -3.075 482 H ASP 60 H ASP 60 -0.490 12.851 2.123 483 HA ASP 60 HA ASP 60 -0.073 13.093 4.967 484 HB2 ASP 60 HB2 ASP 60 -2.278 12.377 4.093 485 HB3 ASP 60 HB3 ASP 60 -1.535 11.002 3.290 486 H THR 61 H THR 61 2.240 12.915 4.894 487 HA THR 61 HA THR 61 3.788 10.786 4.077 488 HB THR 61 HB THR 61 5.279 11.445 6.118 489 HG1 THR 61 HG1 THR 61 4.322 13.827 6.560 490 HG21 THR 61 HG21 THR 61 5.721 12.263 3.873 491 HG22 THR 61 HG22 THR 61 6.004 13.535 5.062 492 HG23 THR 61 HG23 THR 61 4.534 13.556 4.080 493 H ASP 62 H ASP 62 1.717 10.987 6.919 494 HA ASP 62 HA ASP 62 2.871 8.855 8.409 495 HB2 ASP 62 HB2 ASP 62 1.512 10.554 9.521 496 HB3 ASP 62 HB3 ASP 62 0.113 10.143 8.532 497 H GLY 63 H GLY 63 -0.066 9.027 6.353 498 HA2 GLY 63 HA2 GLY 63 -0.695 6.252 6.381 499 HA3 GLY 63 HA3 GLY 63 -1.274 7.438 5.222 500 H LEU 64 H LEU 64 1.124 8.298 4.134 501 HA LEU 64 HA LEU 64 1.756 6.488 2.096 502 HB2 LEU 64 HB2 LEU 64 2.148 8.900 1.899 503 HB3 LEU 64 HB3 LEU 64 3.307 8.854 3.212 504 HG LEU 64 HG LEU 64 4.796 7.404 1.713 505 HD11 LEU 64 HD11 LEU 64 4.447 7.483 -0.696 506 HD12 LEU 64 HD12 LEU 64 2.891 8.284 -0.465 507 HD13 LEU 64 HD13 LEU 64 3.132 6.633 0.115 508 HD21 LEU 64 HD21 LEU 64 5.269 9.761 2.107 509 HD22 LEU 64 HD22 LEU 64 4.213 10.219 0.766 510 HD23 LEU 64 HD23 LEU 64 5.687 9.295 0.462 511 H ARG 65 H ARG 65 3.256 7.103 5.216 512 HA ARG 65 HA ARG 65 5.639 5.603 4.933 513 HB2 ARG 65 HB2 ARG 65 5.282 7.361 6.655 514 HB3 ARG 65 HB3 ARG 65 4.070 6.353 7.440 515 HG2 ARG 65 HG2 ARG 65 5.783 4.704 8.026 516 HG3 ARG 65 HG3 ARG 65 7.009 5.647 7.173 517 HD2 ARG 65 HD2 ARG 65 6.747 7.496 8.757 518 HD3 ARG 65 HD3 ARG 65 5.416 6.652 9.561 519 HE ARG 65 HE ARG 65 7.781 5.063 9.545 520 HH11 ARG 65 HH11 ARG 65 6.310 7.791 11.238 521 HH12 ARG 65 HH12 ARG 65 7.197 7.506 12.701 522 HH21 ARG 65 HH21 ARG 65 8.923 4.708 11.480 523 HH22 ARG 65 HH22 ARG 65 8.678 5.757 12.836 524 H ARG 66 H ARG 66 2.509 4.873 6.458 525 HA ARG 66 HA ARG 66 2.945 2.224 7.249 526 HB2 ARG 66 HB2 ARG 66 0.323 3.473 6.305 527 HB3 ARG 66 HB3 ARG 66 0.478 2.028 7.306 528 HG2 ARG 66 HG2 ARG 66 1.352 3.313 9.151 529 HG3 ARG 66 HG3 ARG 66 1.455 4.768 8.157 530 HD2 ARG 66 HD2 ARG 66 -1.073 4.652 7.908 531 HD3 ARG 66 HD3 ARG 66 -1.060 3.356 9.109 532 HE ARG 66 HE ARG 66 -0.423 6.179 9.539 533 HH11 ARG 66 HH11 ARG 66 -0.824 2.969 10.956 534 HH12 ARG 66 HH12 ARG 66 -0.885 3.570 12.582 535 HH21 ARG 66 HH21 ARG 66 -0.481 6.943 11.642 536 HH22 ARG 66 HH22 ARG 66 -0.689 5.840 12.965 537 H ALA 67 H ALA 67 1.684 3.551 4.215 538 HA ALA 67 HA ALA 67 1.018 1.099 2.946 539 HB1 ALA 67 HB1 ALA 67 -0.028 3.235 2.334 540 HB2 ALA 67 HB2 ALA 67 0.722 2.478 0.926 541 HB3 ALA 67 HB3 ALA 67 1.519 3.836 1.729 542 H ALA 68 H ALA 68 3.913 3.149 2.914 543 HA ALA 68 HA ALA 68 5.270 1.841 0.765 544 HB1 ALA 68 HB1 ALA 68 6.402 3.603 2.972 545 HB2 ALA 68 HB2 ALA 68 5.784 4.168 1.418 546 HB3 ALA 68 HB3 ALA 68 7.229 3.157 1.477 547 H LYS 69 H LYS 69 5.430 1.599 4.305 548 HA LYS 69 HA LYS 69 7.594 -0.220 4.472 549 HB2 LYS 69 HB2 LYS 69 5.327 0.313 6.441 550 HB3 LYS 69 HB3 LYS 69 6.769 -0.612 6.823 551 HG2 LYS 69 HG2 LYS 69 6.878 2.296 5.973 552 HG3 LYS 69 HG3 LYS 69 6.653 1.805 7.645 553 HD2 LYS 69 HD2 LYS 69 8.952 2.241 7.474 554 HD3 LYS 69 HD3 LYS 69 8.848 0.485 7.396 555 HE2 LYS 69 HE2 LYS 69 9.112 0.602 4.938 556 HE3 LYS 69 HE3 LYS 69 9.204 2.362 5.042 557 HZ1 LYS 69 HZ1 LYS 69 11.095 0.504 6.384 558 HZ2 LYS 69 HZ2 LYS 69 11.211 2.187 6.325 559 HZ3 LYS 69 HZ3 LYS 69 11.398 1.276 4.913 560 H SER 70 H SER 70 4.064 -0.682 4.663 561 HA SER 70 HA SER 70 4.045 -3.481 4.955 562 HB2 SER 70 HB2 SER 70 1.860 -1.655 3.870 563 HB3 SER 70 HB3 SER 70 1.627 -3.294 4.488 564 HG SER 70 HG SER 70 1.631 -1.024 5.847 565 H LEU 71 H LEU 71 4.168 -1.409 2.119 566 HA LEU 71 HA LEU 71 3.486 -3.226 0.086 567 HB2 LEU 71 HB2 LEU 71 4.176 -0.583 0.143 568 HB3 LEU 71 HB3 LEU 71 5.658 -1.247 -0.497 569 HG LEU 71 HG LEU 71 2.904 -1.606 -1.747 570 HD11 LEU 71 HD11 LEU 71 3.651 -0.033 -3.466 571 HD12 LEU 71 HD12 LEU 71 5.142 0.250 -2.564 572 HD13 LEU 71 HD13 LEU 71 3.586 0.703 -1.866 573 HD21 LEU 71 HD21 LEU 71 5.619 -2.371 -2.863 574 HD22 LEU 71 HD22 LEU 71 4.087 -2.453 -3.733 575 HD23 LEU 71 HD23 LEU 71 4.355 -3.478 -2.328 576 H LYS 72 H LYS 72 6.622 -2.397 1.557 577 HA LYS 72 HA LYS 72 8.195 -4.243 0.053 578 HB2 LYS 72 HB2 LYS 72 8.791 -2.842 2.682 579 HB3 LYS 72 HB3 LYS 72 9.977 -3.702 1.697 580 HG2 LYS 72 HG2 LYS 72 9.603 -2.093 -0.148 581 HG3 LYS 72 HG3 LYS 72 8.426 -1.232 0.854 582 HD2 LYS 72 HD2 LYS 72 10.611 -0.101 0.898 583 HD3 LYS 72 HD3 LYS 72 10.177 -0.704 2.497 584 HE2 LYS 72 HE2 LYS 72 11.698 -2.611 2.211 585 HE3 LYS 72 HE3 LYS 72 12.087 -2.079 0.574 586 HZ1 LYS 72 HZ1 LYS 72 13.115 -0.123 1.438 587 HZ2 LYS 72 HZ2 LYS 72 13.761 -1.448 2.261 588 HZ3 LYS 72 HZ3 LYS 72 12.606 -0.468 3.011 589 H GLU 73 H GLU 73 6.559 -4.384 3.168 590 HA GLU 73 HA GLU 73 7.602 -6.900 4.038 591 HB2 GLU 73 HB2 GLU 73 5.102 -5.367 4.864 592 HB3 GLU 73 HB3 GLU 73 5.685 -6.812 5.690 593 HG2 GLU 73 HG2 GLU 73 7.764 -5.662 6.305 594 HG3 GLU 73 HG3 GLU 73 7.262 -4.228 5.406 595 H ALA 74 H ALA 74 5.098 -5.955 1.836 596 HA ALA 74 HA ALA 74 3.916 -8.578 1.575 597 HB1 ALA 74 HB1 ALA 74 2.689 -7.609 -0.321 598 HB2 ALA 74 HB2 ALA 74 3.666 -6.140 -0.227 599 HB3 ALA 74 HB3 ALA 74 2.582 -6.567 1.098 600 H ILE 75 H ILE 75 6.502 -6.706 -0.040 601 HA ILE 75 HA ILE 75 6.813 -8.288 -2.354 602 HB ILE 75 HB ILE 75 9.056 -6.775 -0.940 603 HG12 ILE 75 HG12 ILE 75 7.248 -5.213 -1.408 604 HG13 ILE 75 HG13 ILE 75 8.541 -4.914 -2.555 605 HG21 ILE 75 HG21 ILE 75 8.823 -7.712 -3.829 606 HG22 ILE 75 HG22 ILE 75 9.896 -8.383 -2.599 607 HG23 ILE 75 HG23 ILE 75 10.137 -6.734 -3.170 608 HD11 ILE 75 HD11 ILE 75 5.957 -6.366 -3.096 609 HD12 ILE 75 HD12 ILE 75 7.259 -6.136 -4.268 610 HD13 ILE 75 HD13 ILE 75 6.397 -4.742 -3.618 611 H THR 76 H THR 76 8.383 -8.518 0.821 612 HA THR 76 HA THR 76 10.121 -10.677 0.211 613 HB THR 76 HB THR 76 10.520 -9.127 2.108 614 HG1 THR 76 HG1 THR 76 10.356 -11.905 2.688 615 HG21 THR 76 HG21 THR 76 9.317 -9.391 4.240 616 HG22 THR 76 HG22 THR 76 8.221 -10.551 3.489 617 HG23 THR 76 HG23 THR 76 8.224 -8.867 2.955 618 H ALA 77 H ALA 77 6.755 -10.600 0.729 619 HA ALA 77 HA ALA 77 6.560 -13.442 1.509 620 HB1 ALA 77 HB1 ALA 77 4.480 -11.233 1.651 621 HB2 ALA 77 HB2 ALA 77 5.458 -11.822 3.000 622 HB3 ALA 77 HB3 ALA 77 4.284 -12.891 2.229 623 H ILE 78 H ILE 78 6.444 -11.560 -1.297 624 HA ILE 78 HA ILE 78 4.248 -12.696 -2.722 625 HB ILE 78 HB ILE 78 6.862 -11.540 -3.823 626 HG12 ILE 78 HG12 ILE 78 4.091 -10.269 -3.672 627 HG13 ILE 78 HG13 ILE 78 5.438 -9.895 -2.603 628 HG21 ILE 78 HG21 ILE 78 4.337 -12.209 -5.393 629 HG22 ILE 78 HG22 ILE 78 5.881 -13.057 -5.508 630 HG23 ILE 78 HG23 ILE 78 5.759 -11.379 -6.036 631 HD11 ILE 78 HD11 ILE 78 5.358 -9.380 -5.582 632 HD12 ILE 78 HD12 ILE 78 6.710 -9.009 -4.504 633 HD13 ILE 78 HD13 ILE 78 5.168 -8.185 -4.298 634 HA PRO 79 HA PRO 79 5.957 -16.923 -3.558 635 HB2 PRO 79 HB2 PRO 79 3.748 -16.639 -5.619 636 HB3 PRO 79 HB3 PRO 79 4.141 -18.028 -4.576 637 HG2 PRO 79 HG2 PRO 79 2.086 -16.501 -3.953 638 HG3 PRO 79 HG3 PRO 79 3.200 -17.036 -2.668 639 HD2 PRO 79 HD2 PRO 79 3.029 -14.340 -4.014 640 HD3 PRO 79 HD3 PRO 79 3.302 -14.729 -2.300 641 H GLU 80 H GLU 80 7.675 -17.238 -4.777 642 HA GLU 80 HA GLU 80 8.657 -15.439 -6.727 643 HB2 GLU 80 HB2 GLU 80 10.081 -16.773 -5.191 644 HB3 GLU 80 HB3 GLU 80 9.562 -18.250 -5.997 645 HG2 GLU 80 HG2 GLU 80 10.624 -17.397 -8.113 646 HG3 GLU 80 HG3 GLU 80 11.253 -16.027 -7.190 647 H GLU 81 H GLU 81 7.031 -15.371 -8.330 648 HA GLU 81 HA GLU 81 7.432 -16.799 -10.677 649 HB2 GLU 81 HB2 GLU 81 6.314 -18.718 -9.609 650 HB3 GLU 81 HB3 GLU 81 4.946 -17.711 -9.155 651 HG2 GLU 81 HG2 GLU 81 4.348 -17.419 -11.522 652 HG3 GLU 81 HG3 GLU 81 5.754 -18.369 -12.009 653 H GLU 82 H GLU 82 4.896 -15.263 -8.706 654 HA GLU 82 HA GLU 82 3.281 -14.279 -10.781 655 HB2 GLU 82 HB2 GLU 82 3.581 -13.255 -7.934 656 HB3 GLU 82 HB3 GLU 82 2.275 -12.809 -9.032 657 HG2 GLU 82 HG2 GLU 82 1.577 -15.197 -9.137 658 HG3 GLU 82 HG3 GLU 82 2.849 -15.596 -7.975 659 H GLY 83 H GLY 83 5.488 -12.348 -8.717 660 HA2 GLY 83 HA2 GLY 83 6.687 -10.882 -10.750 661 HA3 GLY 83 HA3 GLY 83 5.242 -9.997 -10.284 662 H ARG 84 H ARG 84 8.316 -11.274 -9.143 663 HA ARG 84 HA ARG 84 8.358 -9.959 -6.630 664 HB2 ARG 84 HB2 ARG 84 10.554 -11.094 -8.411 665 HB3 ARG 84 HB3 ARG 84 10.927 -10.302 -6.884 666 HG2 ARG 84 HG2 ARG 84 9.122 -12.727 -7.173 667 HG3 ARG 84 HG3 ARG 84 10.825 -12.788 -6.711 668 HD2 ARG 84 HD2 ARG 84 10.347 -11.485 -4.675 669 HD3 ARG 84 HD3 ARG 84 8.655 -11.318 -5.152 670 HE ARG 84 HE ARG 84 8.245 -13.452 -4.447 671 HH11 ARG 84 HH11 ARG 84 11.744 -13.017 -4.444 672 HH12 ARG 84 HH12 ARG 84 12.034 -14.492 -3.582 673 HH21 ARG 84 HH21 ARG 84 8.642 -15.315 -3.264 674 HH22 ARG 84 HH22 ARG 84 10.266 -15.793 -2.914 675 H LYS 85 H LYS 85 10.317 -9.183 -9.548 676 HA LYS 85 HA LYS 85 10.985 -6.569 -8.744 677 HB2 LYS 85 HB2 LYS 85 10.984 -7.700 -11.568 678 HB3 LYS 85 HB3 LYS 85 11.775 -6.211 -11.061 679 HG2 LYS 85 HG2 LYS 85 13.241 -7.537 -9.545 680 HG3 LYS 85 HG3 LYS 85 12.496 -9.021 -10.149 681 HD2 LYS 85 HD2 LYS 85 14.086 -6.997 -11.792 682 HD3 LYS 85 HD3 LYS 85 14.630 -8.604 -11.307 683 HE2 LYS 85 HE2 LYS 85 12.850 -9.625 -12.692 684 HE3 LYS 85 HE3 LYS 85 12.293 -8.020 -13.167 685 HZ1 LYS 85 HZ1 LYS 85 13.720 -9.037 -14.850 686 HZ2 LYS 85 HZ2 LYS 85 14.993 -9.119 -13.742 687 HZ3 LYS 85 HZ3 LYS 85 14.403 -7.619 -14.235 688 H GLU 86 H GLU 86 8.361 -7.780 -10.762 689 HA GLU 86 HA GLU 86 7.139 -5.594 -11.829 690 HB2 GLU 86 HB2 GLU 86 6.243 -7.767 -12.250 691 HB3 GLU 86 HB3 GLU 86 6.041 -8.112 -10.544 692 HG2 GLU 86 HG2 GLU 86 3.872 -7.844 -11.558 693 HG3 GLU 86 HG3 GLU 86 4.158 -6.508 -10.446 694 H ALA 87 H ALA 87 6.359 -6.864 -8.569 695 HA ALA 87 HA ALA 87 4.898 -4.512 -7.783 696 HB1 ALA 87 HB1 ALA 87 4.241 -6.747 -7.021 697 HB2 ALA 87 HB2 ALA 87 4.609 -5.697 -5.650 698 HB3 ALA 87 HB3 ALA 87 5.774 -6.918 -6.164 699 H LYS 88 H LYS 88 8.180 -5.607 -7.538 700 HA LYS 88 HA LYS 88 9.036 -4.275 -5.196 701 HB2 LYS 88 HB2 LYS 88 10.224 -6.195 -6.285 702 HB3 LYS 88 HB3 LYS 88 10.674 -5.150 -7.618 703 HG2 LYS 88 HG2 LYS 88 12.576 -5.457 -6.186 704 HG3 LYS 88 HG3 LYS 88 12.035 -3.782 -6.052 705 HD2 LYS 88 HD2 LYS 88 11.056 -4.178 -3.897 706 HD3 LYS 88 HD3 LYS 88 11.245 -5.926 -4.053 707 HE2 LYS 88 HE2 LYS 88 12.923 -4.942 -2.530 708 HE3 LYS 88 HE3 LYS 88 13.683 -5.700 -3.930 709 HZ1 LYS 88 HZ1 LYS 88 13.221 -2.795 -3.517 710 HZ2 LYS 88 HZ2 LYS 88 13.838 -3.466 -4.938 711 HZ3 LYS 88 HZ3 LYS 88 14.712 -3.595 -3.498 712 H GLU 89 H GLU 89 8.940 -3.308 -8.632 713 HA GLU 89 HA GLU 89 10.376 -0.881 -8.432 714 HB2 GLU 89 HB2 GLU 89 8.120 -1.542 -10.371 715 HB3 GLU 89 HB3 GLU 89 9.282 -0.236 -10.556 716 HG2 GLU 89 HG2 GLU 89 9.776 -3.208 -10.764 717 HG3 GLU 89 HG3 GLU 89 9.928 -1.999 -12.028 718 H MET 90 H MET 90 6.983 -1.697 -7.948 719 HA MET 90 HA MET 90 5.960 0.921 -7.532 720 HB2 MET 90 HB2 MET 90 4.906 -1.740 -6.509 721 HB3 MET 90 HB3 MET 90 3.994 -0.241 -6.573 722 HG2 MET 90 HG2 MET 90 4.361 -0.298 -9.101 723 HG3 MET 90 HG3 MET 90 4.918 -1.957 -8.876 724 HE1 MET 90 HE1 MET 90 2.829 -2.573 -6.279 725 HE2 MET 90 HE2 MET 90 3.309 -3.768 -7.483 726 HE3 MET 90 HE3 MET 90 1.601 -3.468 -7.173 727 H ALA 91 H ALA 91 7.279 -1.579 -5.390 728 HA ALA 91 HA ALA 91 6.810 -0.366 -2.894 729 HB1 ALA 91 HB1 ALA 91 9.056 -2.258 -3.675 730 HB2 ALA 91 HB2 ALA 91 7.455 -2.730 -3.101 731 HB3 ALA 91 HB3 ALA 91 8.561 -1.874 -2.025 732 H LYS 92 H LYS 92 9.439 -0.071 -5.239 733 HA LYS 92 HA LYS 92 11.122 1.539 -3.594 734 HB2 LYS 92 HB2 LYS 92 11.896 0.083 -5.551 735 HB3 LYS 92 HB3 LYS 92 11.273 1.335 -6.626 736 HG2 LYS 92 HG2 LYS 92 12.803 2.985 -5.566 737 HG3 LYS 92 HG3 LYS 92 13.436 1.707 -4.522 738 HD2 LYS 92 HD2 LYS 92 14.185 0.481 -6.591 739 HD3 LYS 92 HD3 LYS 92 13.653 1.868 -7.548 740 HE2 LYS 92 HE2 LYS 92 15.826 1.887 -5.422 741 HE3 LYS 92 HE3 LYS 92 16.067 1.973 -7.168 742 HZ1 LYS 92 HZ1 LYS 92 14.935 4.096 -7.202 743 HZ2 LYS 92 HZ2 LYS 92 16.221 4.151 -6.107 744 HZ3 LYS 92 HZ3 LYS 92 14.635 4.009 -5.538 745 H LYS 93 H LYS 93 8.629 2.182 -6.022 746 HA LYS 93 HA LYS 93 8.950 4.964 -6.321 747 HB2 LYS 93 HB2 LYS 93 6.586 3.090 -6.564 748 HB3 LYS 93 HB3 LYS 93 6.304 4.821 -6.655 749 HG2 LYS 93 HG2 LYS 93 8.212 3.321 -8.471 750 HG3 LYS 93 HG3 LYS 93 6.521 3.673 -8.867 751 HD2 LYS 93 HD2 LYS 93 6.975 6.098 -8.684 752 HD3 LYS 93 HD3 LYS 93 8.647 5.758 -8.256 753 HE2 LYS 93 HE2 LYS 93 8.976 4.704 -10.477 754 HE3 LYS 93 HE3 LYS 93 7.308 5.116 -10.891 755 HZ1 LYS 93 HZ1 LYS 93 7.852 7.446 -10.625 756 HZ2 LYS 93 HZ2 LYS 93 8.883 6.731 -11.761 757 HZ3 LYS 93 HZ3 LYS 93 9.442 7.059 -10.200 758 H ALA 94 H ALA 94 7.007 3.084 -4.012 759 HA ALA 94 HA ALA 94 5.950 5.209 -2.505 760 HB1 ALA 94 HB1 ALA 94 5.421 3.504 -0.823 761 HB2 ALA 94 HB2 ALA 94 6.499 2.359 -1.623 762 HB3 ALA 94 HB3 ALA 94 5.045 2.923 -2.450 763 H GLU 95 H GLU 95 9.033 3.475 -2.277 764 HA GLU 95 HA GLU 95 9.968 4.596 0.165 765 HB2 GLU 95 HB2 GLU 95 11.480 3.445 -2.217 766 HB3 GLU 95 HB3 GLU 95 12.261 3.932 -0.712 767 HG2 GLU 95 HG2 GLU 95 10.883 2.260 0.509 768 HG3 GLU 95 HG3 GLU 95 10.191 1.743 -1.030 769 H GLU 96 H GLU 96 10.288 5.577 -3.239 770 HA GLU 96 HA GLU 96 12.139 7.674 -2.907 771 HB2 GLU 96 HB2 GLU 96 9.959 7.426 -5.032 772 HB3 GLU 96 HB3 GLU 96 11.318 8.543 -5.104 773 HG2 GLU 96 HG2 GLU 96 11.375 5.532 -5.313 774 HG3 GLU 96 HG3 GLU 96 11.804 6.705 -6.547 775 H TRP 97 H TRP 97 8.603 7.632 -2.978 776 HA TRP 97 HA TRP 97 8.111 10.378 -2.647 777 HB2 TRP 97 HB2 TRP 97 6.393 7.987 -1.852 778 HB3 TRP 97 HB3 TRP 97 5.816 9.645 -1.979 779 HD1 TRP 97 HD1 TRP 97 7.575 10.009 -4.867 780 HE1 TRP 97 HE1 TRP 97 6.439 9.083 -6.973 781 HE3 TRP 97 HE3 TRP 97 4.201 6.882 -2.661 782 HZ2 TRP 97 HZ2 TRP 97 4.386 7.274 -7.629 783 HZ3 TRP 97 HZ3 TRP 97 2.677 5.595 -4.099 784 HH2 TRP 97 HH2 TRP 97 2.775 5.794 -6.533 785 H LEU 98 H LEU 98 8.460 7.723 -0.315 786 HA LEU 98 HA LEU 98 7.636 9.085 2.002 787 HB2 LEU 98 HB2 LEU 98 7.838 6.584 1.737 788 HB3 LEU 98 HB3 LEU 98 9.584 6.752 1.830 789 HG LEU 98 HG LEU 98 9.404 7.602 4.151 790 HD11 LEU 98 HD11 LEU 98 7.245 7.580 5.331 791 HD12 LEU 98 HD12 LEU 98 6.420 7.215 3.812 792 HD13 LEU 98 HD13 LEU 98 7.278 8.749 4.012 793 HD21 LEU 98 HD21 LEU 98 7.907 4.985 3.758 794 HD22 LEU 98 HD22 LEU 98 8.681 5.524 5.252 795 HD23 LEU 98 HD23 LEU 98 9.661 5.184 3.826 796 H GLN 99 H GLN 99 10.908 8.479 0.710 797 HA GLN 99 HA GLN 99 12.307 9.851 2.786 798 HB2 GLN 99 HB2 GLN 99 13.241 9.061 -0.007 799 HB3 GLN 99 HB3 GLN 99 14.294 9.589 1.302 800 HG2 GLN 99 HG2 GLN 99 12.584 7.079 1.328 801 HG3 GLN 99 HG3 GLN 99 14.316 7.135 1.004 802 HE21 GLN 99 HE21 GLN 99 12.769 5.767 3.167 803 HE22 GLN 99 HE22 GLN 99 13.479 6.315 4.644 804 H ALA 100 H ALA 100 10.955 10.814 -0.321 805 HA ALA 100 HA ALA 100 12.336 13.279 -0.648 806 HB1 ALA 100 HB1 ALA 100 10.655 13.785 -2.376 807 HB2 ALA 100 HB2 ALA 100 9.666 12.427 -1.826 808 HB3 ALA 100 HB3 ALA 100 11.253 12.132 -2.539 809 H GLU 101 H GLU 101 9.115 12.477 0.710 810 HA GLU 101 HA GLU 101 8.449 15.223 1.247 811 HB2 GLU 101 HB2 GLU 101 7.137 12.643 2.186 812 HB3 GLU 101 HB3 GLU 101 6.497 14.254 2.503 813 HG2 GLU 101 HG2 GLU 101 6.551 14.466 -0.135 814 HG3 GLU 101 HG3 GLU 101 6.571 12.700 -0.070 815 H GLN 102 H GLN 102 9.094 12.416 3.428 816 HA GLN 102 HA GLN 102 9.796 14.343 5.559 817 HB2 GLN 102 HB2 GLN 102 9.377 12.552 7.183 818 HB3 GLN 102 HB3 GLN 102 7.959 12.852 6.189 819 HG2 GLN 102 HG2 GLN 102 8.432 10.814 4.890 820 HG3 GLN 102 HG3 GLN 102 9.876 10.526 5.865 821 HE21 GLN 102 HE21 GLN 102 9.128 8.538 6.635 822 HE22 GLN 102 HE22 GLN 102 7.829 8.406 7.763 823 H ASN 103 H ASN 103 11.805 14.491 6.213 824 HA ASN 103 HA ASN 103 13.824 12.436 5.852 825 HB2 ASN 103 HB2 ASN 103 15.312 13.898 4.470 826 HB3 ASN 103 HB3 ASN 103 13.842 13.463 3.606 827 HD21 ASN 103 HD21 ASN 103 12.275 15.083 3.196 828 HD22 ASN 103 HD22 ASN 103 12.658 16.764 3.312 829 H ASN 104 H ASN 104 16.042 13.527 6.520 830 HA ASN 104 HA ASN 104 15.768 14.545 9.155 831 HB2 ASN 104 HB2 ASN 104 18.278 14.736 9.109 832 HB3 ASN 104 HB3 ASN 104 17.679 13.148 8.673 833 HD21 ASN 104 HD21 ASN 104 20.164 14.915 8.025 834 HD22 ASN 104 HD22 ASN 104 20.376 14.653 6.327 Start of MODEL 9 1 H1 ALA 1 H1 ALA 1 -17.207 -16.138 2.456 2 H2 ALA 1 H2 ALA 1 -15.572 -15.999 2.057 3 H3 ALA 1 H3 ALA 1 -16.714 -15.039 1.272 4 HA ALA 1 HA ALA 1 -17.206 -13.853 3.251 5 HB1 ALA 1 HB1 ALA 1 -16.921 -15.716 4.840 6 HB2 ALA 1 HB2 ALA 1 -16.004 -14.302 5.362 7 HB3 ALA 1 HB3 ALA 1 -15.174 -15.663 4.606 8 H ASP 2 H ASP 2 -16.389 -12.266 1.877 9 HA ASP 2 HA ASP 2 -13.851 -11.165 2.728 10 HB2 ASP 2 HB2 ASP 2 -12.803 -10.943 0.556 11 HB3 ASP 2 HB3 ASP 2 -13.194 -12.637 0.778 12 H GLU 3 H GLU 3 -16.805 -10.583 2.765 13 HA GLU 3 HA GLU 3 -17.361 -8.301 1.162 14 HB2 GLU 3 HB2 GLU 3 -19.101 -9.709 2.326 15 HB3 GLU 3 HB3 GLU 3 -18.613 -8.998 3.861 16 HG2 GLU 3 HG2 GLU 3 -19.267 -6.751 2.989 17 HG3 GLU 3 HG3 GLU 3 -19.813 -7.505 1.491 18 H ASN 4 H ASN 4 -15.474 -8.716 4.040 19 HA ASN 4 HA ASN 4 -15.349 -6.113 5.093 20 HB2 ASN 4 HB2 ASN 4 -13.094 -8.174 4.918 21 HB3 ASN 4 HB3 ASN 4 -13.106 -6.765 5.976 22 HD21 ASN 4 HD21 ASN 4 -12.795 -8.162 7.727 23 HD22 ASN 4 HD22 ASN 4 -14.084 -9.102 8.392 24 H ILE 5 H ILE 5 -13.357 -7.717 2.653 25 HA ILE 5 HA ILE 5 -11.721 -5.628 1.749 26 HB ILE 5 HB ILE 5 -12.861 -8.050 0.268 27 HG12 ILE 5 HG12 ILE 5 -10.144 -7.709 1.609 28 HG13 ILE 5 HG13 ILE 5 -11.503 -8.586 2.299 29 HG21 ILE 5 HG21 ILE 5 -12.107 -6.399 -1.381 30 HG22 ILE 5 HG22 ILE 5 -11.050 -7.812 -1.377 31 HG23 ILE 5 HG23 ILE 5 -10.528 -6.321 -0.596 32 HD11 ILE 5 HD11 ILE 5 -9.933 -10.126 1.381 33 HD12 ILE 5 HD12 ILE 5 -9.962 -9.319 -0.184 34 HD13 ILE 5 HD13 ILE 5 -11.395 -10.165 0.402 35 H ALA 6 H ALA 6 -14.818 -6.866 0.530 36 HA ALA 6 HA ALA 6 -15.248 -5.162 -1.616 37 HB1 ALA 6 HB1 ALA 6 -17.583 -5.881 -1.507 38 HB2 ALA 6 HB2 ALA 6 -17.336 -6.489 0.133 39 HB3 ALA 6 HB3 ALA 6 -16.500 -7.243 -1.227 40 H LYS 7 H LYS 7 -15.949 -4.701 1.801 41 HA LYS 7 HA LYS 7 -17.869 -2.655 1.679 42 HB2 LYS 7 HB2 LYS 7 -17.097 -4.140 3.687 43 HB3 LYS 7 HB3 LYS 7 -15.822 -2.953 3.919 44 HG2 LYS 7 HG2 LYS 7 -17.622 -2.455 5.442 45 HG3 LYS 7 HG3 LYS 7 -17.583 -1.191 4.211 46 HD2 LYS 7 HD2 LYS 7 -19.899 -1.886 4.715 47 HD3 LYS 7 HD3 LYS 7 -19.479 -2.254 3.043 48 HE2 LYS 7 HE2 LYS 7 -19.071 -4.623 3.690 49 HE3 LYS 7 HE3 LYS 7 -19.539 -4.237 5.349 50 HZ1 LYS 7 HZ1 LYS 7 -21.734 -3.639 4.553 51 HZ2 LYS 7 HZ2 LYS 7 -21.358 -5.226 4.112 52 HZ3 LYS 7 HZ3 LYS 7 -21.288 -3.988 2.960 53 H PHE 8 H PHE 8 -14.342 -2.564 1.780 54 HA PHE 8 HA PHE 8 -14.052 0.281 1.992 55 HB2 PHE 8 HB2 PHE 8 -12.027 -1.773 1.033 56 HB3 PHE 8 HB3 PHE 8 -11.666 -0.139 1.561 57 HD1 PHE 8 HD1 PHE 8 -12.784 0.316 4.087 58 HD2 PHE 8 HD2 PHE 8 -11.368 -3.423 2.552 59 HE1 PHE 8 HE1 PHE 8 -12.407 -0.497 6.380 60 HE2 PHE 8 HE2 PHE 8 -11.005 -4.227 4.853 61 HZ PHE 8 HZ PHE 8 -11.525 -2.764 6.766 62 H GLU 9 H GLU 9 -14.318 -2.004 -0.681 63 HA GLU 9 HA GLU 9 -13.373 -0.388 -2.820 64 HB2 GLU 9 HB2 GLU 9 -15.421 -2.641 -2.972 65 HB3 GLU 9 HB3 GLU 9 -14.488 -1.994 -4.315 66 HG2 GLU 9 HG2 GLU 9 -12.417 -2.844 -3.311 67 HG3 GLU 9 HG3 GLU 9 -13.326 -3.456 -1.929 68 H LYS 10 H LYS 10 -16.670 -1.000 -1.568 69 HA LYS 10 HA LYS 10 -18.026 0.710 -3.427 70 HB2 LYS 10 HB2 LYS 10 -18.908 -0.433 -0.745 71 HB3 LYS 10 HB3 LYS 10 -19.941 0.632 -1.689 72 HG2 LYS 10 HG2 LYS 10 -20.677 -1.597 -2.105 73 HG3 LYS 10 HG3 LYS 10 -19.837 -1.075 -3.567 74 HD2 LYS 10 HD2 LYS 10 -17.856 -2.350 -2.913 75 HD3 LYS 10 HD3 LYS 10 -18.613 -2.788 -1.380 76 HE2 LYS 10 HE2 LYS 10 -18.709 -4.657 -2.913 77 HE3 LYS 10 HE3 LYS 10 -20.342 -4.059 -2.624 78 HZ1 LYS 10 HZ1 LYS 10 -19.896 -4.586 -4.962 79 HZ2 LYS 10 HZ2 LYS 10 -18.691 -3.401 -4.999 80 HZ3 LYS 10 HZ3 LYS 10 -20.296 -2.959 -4.743 81 H ALA 11 H ALA 11 -16.617 1.166 -0.218 82 HA ALA 11 HA ALA 11 -17.504 3.854 0.226 83 HB1 ALA 11 HB1 ALA 11 -15.135 2.372 1.439 84 HB2 ALA 11 HB2 ALA 11 -16.783 2.387 2.069 85 HB3 ALA 11 HB3 ALA 11 -15.841 3.876 2.047 86 H TYR 12 H TYR 12 -15.017 2.481 -1.719 87 HA TYR 12 HA TYR 12 -13.363 4.855 -1.853 88 HB2 TYR 12 HB2 TYR 12 -12.663 2.287 -2.154 89 HB3 TYR 12 HB3 TYR 12 -13.111 2.565 -3.833 90 HD1 TYR 12 HD1 TYR 12 -12.003 4.694 -4.972 91 HD2 TYR 12 HD2 TYR 12 -10.459 2.805 -1.464 92 HE1 TYR 12 HE1 TYR 12 -9.829 5.769 -5.346 93 HE2 TYR 12 HE2 TYR 12 -8.300 3.885 -1.845 94 HH TYR 12 HH TYR 12 -7.023 4.815 -3.832 95 H LYS 13 H LYS 13 -14.021 6.559 -2.966 96 HA LYS 13 HA LYS 13 -15.938 6.349 -5.199 97 HB2 LYS 13 HB2 LYS 13 -15.162 8.830 -3.599 98 HB3 LYS 13 HB3 LYS 13 -16.524 8.666 -4.699 99 HG2 LYS 13 HG2 LYS 13 -16.198 7.279 -2.025 100 HG3 LYS 13 HG3 LYS 13 -17.276 8.629 -2.381 101 HD2 LYS 13 HD2 LYS 13 -18.613 7.226 -3.878 102 HD3 LYS 13 HD3 LYS 13 -17.477 5.888 -3.687 103 HE2 LYS 13 HE2 LYS 13 -18.057 5.733 -1.292 104 HE3 LYS 13 HE3 LYS 13 -19.195 7.071 -1.479 105 HZ1 LYS 13 HZ1 LYS 13 -19.366 4.422 -2.819 106 HZ2 LYS 13 HZ2 LYS 13 -20.426 5.712 -3.083 107 HZ3 LYS 13 HZ3 LYS 13 -20.350 4.984 -1.562 108 H LYS 14 H LYS 14 -12.972 5.967 -5.377 109 HA LYS 14 HA LYS 14 -11.205 6.341 -6.692 110 HB2 LYS 14 HB2 LYS 14 -13.041 8.157 -8.297 111 HB3 LYS 14 HB3 LYS 14 -11.427 7.679 -8.805 112 HG2 LYS 14 HG2 LYS 14 -12.060 5.419 -9.122 113 HG3 LYS 14 HG3 LYS 14 -13.564 5.615 -8.222 114 HD2 LYS 14 HD2 LYS 14 -13.019 7.044 -10.853 115 HD3 LYS 14 HD3 LYS 14 -13.776 5.455 -10.764 116 HE2 LYS 14 HE2 LYS 14 -15.518 7.103 -10.985 117 HE3 LYS 14 HE3 LYS 14 -15.598 6.458 -9.349 118 HZ1 LYS 14 HZ1 LYS 14 -14.505 8.463 -8.545 119 HZ2 LYS 14 HZ2 LYS 14 -15.894 8.867 -9.416 120 HZ3 LYS 14 HZ3 LYS 14 -14.371 9.062 -10.121 121 H ALA 15 H ALA 15 -9.472 7.383 -5.889 122 HA ALA 15 HA ALA 15 -9.793 10.103 -4.768 123 HB1 ALA 15 HB1 ALA 15 -7.847 9.528 -3.352 124 HB2 ALA 15 HB2 ALA 15 -7.748 7.946 -4.135 125 HB3 ALA 15 HB3 ALA 15 -9.160 8.364 -3.164 126 H GLU 16 H GLU 16 -9.048 11.673 -6.033 127 HA GLU 16 HA GLU 16 -6.386 11.406 -7.280 128 HB2 GLU 16 HB2 GLU 16 -7.008 12.975 -9.011 129 HB3 GLU 16 HB3 GLU 16 -8.180 11.671 -9.020 130 HG2 GLU 16 HG2 GLU 16 -8.646 14.376 -7.746 131 HG3 GLU 16 HG3 GLU 16 -9.135 13.960 -9.382 132 H GLU 17 H GLU 17 -5.643 13.815 -7.707 133 HA GLU 17 HA GLU 17 -5.138 14.847 -5.065 134 HB2 GLU 17 HB2 GLU 17 -3.766 16.561 -6.781 135 HB3 GLU 17 HB3 GLU 17 -3.108 15.131 -6.020 136 HG2 GLU 17 HG2 GLU 17 -4.339 15.108 -8.791 137 HG3 GLU 17 HG3 GLU 17 -2.630 15.388 -8.487 138 H LEU 18 H LEU 18 -7.096 15.541 -4.510 139 HA LEU 18 HA LEU 18 -8.095 18.132 -5.209 140 HB2 LEU 18 HB2 LEU 18 -8.844 16.614 -7.133 141 HB3 LEU 18 HB3 LEU 18 -9.809 15.710 -5.989 142 HG LEU 18 HG LEU 18 -10.324 18.689 -6.315 143 HD11 LEU 18 HD11 LEU 18 -11.412 16.577 -8.216 144 HD12 LEU 18 HD12 LEU 18 -10.250 17.841 -8.623 145 HD13 LEU 18 HD13 LEU 18 -11.890 18.279 -8.161 146 HD21 LEU 18 HD21 LEU 18 -11.517 17.467 -4.531 147 HD22 LEU 18 HD22 LEU 18 -12.197 16.365 -5.730 148 HD23 LEU 18 HD23 LEU 18 -12.626 18.077 -5.758 149 H ASN 19 H ASN 19 -9.982 18.638 -3.750 150 HA ASN 19 HA ASN 19 -9.430 17.654 -1.120 151 HB2 ASN 19 HB2 ASN 19 -11.634 19.556 -2.045 152 HB3 ASN 19 HB3 ASN 19 -11.184 19.266 -0.370 153 HD21 ASN 19 HD21 ASN 19 -10.287 20.831 -3.330 154 HD22 ASN 19 HD22 ASN 19 -8.997 21.774 -2.675 155 H GLN 20 H GLN 20 -9.945 15.390 -1.557 156 HA GLN 20 HA GLN 20 -12.214 14.492 -0.193 157 HB2 GLN 20 HB2 GLN 20 -13.498 13.274 -1.869 158 HB3 GLN 20 HB3 GLN 20 -13.445 14.969 -2.337 159 HG2 GLN 20 HG2 GLN 20 -11.856 14.510 -4.097 160 HG3 GLN 20 HG3 GLN 20 -11.611 12.864 -3.505 161 HE21 GLN 20 HE21 GLN 20 -12.179 11.968 -5.524 162 HE22 GLN 20 HE22 GLN 20 -13.818 11.932 -6.076 163 H GLY 21 H GLY 21 -9.308 14.005 -1.954 164 HA2 GLY 21 HA2 GLY 21 -9.182 11.242 -2.347 165 HA3 GLY 21 HA3 GLY 21 -7.799 12.307 -2.158 166 H GLU 22 H GLU 22 -8.388 13.148 0.511 167 HA GLU 22 HA GLU 22 -7.049 11.326 2.125 168 HB2 GLU 22 HB2 GLU 22 -7.821 12.751 4.027 169 HB3 GLU 22 HB3 GLU 22 -7.244 13.700 2.660 170 HG2 GLU 22 HG2 GLU 22 -9.615 14.014 1.924 171 HG3 GLU 22 HG3 GLU 22 -10.143 13.187 3.384 172 H LEU 23 H LEU 23 -10.490 11.530 1.454 173 HA LEU 23 HA LEU 23 -11.485 9.984 3.633 174 HB2 LEU 23 HB2 LEU 23 -12.725 10.462 0.897 175 HB3 LEU 23 HB3 LEU 23 -13.586 9.910 2.327 176 HG LEU 23 HG LEU 23 -12.250 12.639 2.067 177 HD11 LEU 23 HD11 LEU 23 -14.499 13.599 1.885 178 HD12 LEU 23 HD12 LEU 23 -15.204 11.980 1.858 179 HD13 LEU 23 HD13 LEU 23 -14.151 12.509 0.541 180 HD21 LEU 23 HD21 LEU 23 -12.345 11.884 4.386 181 HD22 LEU 23 HD22 LEU 23 -14.076 11.577 4.241 182 HD23 LEU 23 HD23 LEU 23 -13.459 13.227 4.124 183 H MET 24 H MET 24 -9.966 9.209 0.695 184 HA MET 24 HA MET 24 -10.527 6.299 0.925 185 HB2 MET 24 HB2 MET 24 -9.963 8.051 -1.507 186 HB3 MET 24 HB3 MET 24 -10.016 6.296 -1.560 187 HG2 MET 24 HG2 MET 24 -12.319 6.217 -1.281 188 HG3 MET 24 HG3 MET 24 -12.391 7.791 -0.493 189 HE1 MET 24 HE1 MET 24 -10.820 9.767 -2.413 190 HE2 MET 24 HE2 MET 24 -12.390 10.049 -1.653 191 HE3 MET 24 HE3 MET 24 -12.186 10.304 -3.392 192 H GLY 25 H GLY 25 -8.439 5.505 -0.824 193 HA2 GLY 25 HA2 GLY 25 -6.153 5.111 -0.911 194 HA3 GLY 25 HA3 GLY 25 -5.890 6.397 0.261 195 H ARG 26 H ARG 26 -6.961 5.863 2.465 196 HA ARG 26 HA ARG 26 -5.894 3.686 3.787 197 HB2 ARG 26 HB2 ARG 26 -6.733 5.564 5.043 198 HB3 ARG 26 HB3 ARG 26 -8.347 5.388 4.370 199 HG2 ARG 26 HG2 ARG 26 -8.606 3.246 5.634 200 HG3 ARG 26 HG3 ARG 26 -7.023 3.508 6.366 201 HD2 ARG 26 HD2 ARG 26 -7.797 5.450 7.546 202 HD3 ARG 26 HD3 ARG 26 -9.298 5.505 6.615 203 HE ARG 26 HE ARG 26 -9.323 3.052 7.874 204 HH11 ARG 26 HH11 ARG 26 -9.159 6.400 8.996 205 HH12 ARG 26 HH12 ARG 26 -9.989 6.056 10.485 206 HH21 ARG 26 HH21 ARG 26 -10.491 2.652 9.784 207 HH22 ARG 26 HH22 ARG 26 -10.738 3.938 10.927 208 H ALA 27 H ALA 27 -8.982 3.970 2.086 209 HA ALA 27 HA ALA 27 -10.211 1.580 2.869 210 HB1 ALA 27 HB1 ALA 27 -11.404 3.377 1.710 211 HB2 ALA 27 HB2 ALA 27 -11.605 1.847 0.853 212 HB3 ALA 27 HB3 ALA 27 -10.483 3.066 0.240 213 H LEU 28 H LEU 28 -8.217 2.204 -0.090 214 HA LEU 28 HA LEU 28 -8.116 -0.504 -0.920 215 HB2 LEU 28 HB2 LEU 28 -6.514 1.933 -1.667 216 HB3 LEU 28 HB3 LEU 28 -5.963 0.358 -2.217 217 HG LEU 28 HG LEU 28 -8.683 1.562 -2.855 218 HD11 LEU 28 HD11 LEU 28 -6.842 2.778 -3.944 219 HD12 LEU 28 HD12 LEU 28 -7.834 1.908 -5.113 220 HD13 LEU 28 HD13 LEU 28 -6.257 1.266 -4.642 221 HD21 LEU 28 HD21 LEU 28 -8.757 -0.890 -2.801 222 HD22 LEU 28 HD22 LEU 28 -7.399 -0.967 -3.922 223 HD23 LEU 28 HD23 LEU 28 -8.937 -0.279 -4.443 224 H TYR 29 H TYR 29 -6.122 1.385 1.269 225 HA TYR 29 HA TYR 29 -3.838 -0.269 1.432 226 HB2 TYR 29 HB2 TYR 29 -3.820 2.041 2.314 227 HB3 TYR 29 HB3 TYR 29 -5.044 1.626 3.511 228 HD1 TYR 29 HD2 TYR 29 -1.645 0.437 2.416 229 HD2 TYR 29 HD1 TYR 29 -4.260 1.210 5.709 230 HE1 TYR 29 HE2 TYR 29 0.123 -0.209 3.974 231 HE2 TYR 29 HE1 TYR 29 -2.479 0.543 7.267 232 HH TYR 29 HH TYR 29 -0.443 -0.840 7.236 233 H ASN 30 H ASN 30 -6.880 -0.181 3.260 234 HA ASN 30 HA ASN 30 -6.297 -2.289 5.066 235 HB2 ASN 30 HB2 ASN 30 -8.939 -1.075 4.180 236 HB3 ASN 30 HB3 ASN 30 -8.817 -2.306 5.431 237 HD21 ASN 30 HD21 ASN 30 -6.363 -1.239 6.637 238 HD22 ASN 30 HD22 ASN 30 -6.832 0.206 7.450 239 H ILE 31 H ILE 31 -7.766 -2.209 1.819 240 HA ILE 31 HA ILE 31 -8.620 -4.907 1.651 241 HB ILE 31 HB ILE 31 -7.759 -2.925 -0.514 242 HG12 ILE 31 HG12 ILE 31 -10.559 -3.803 0.319 243 HG13 ILE 31 HG13 ILE 31 -9.790 -2.301 0.816 244 HG21 ILE 31 HG21 ILE 31 -8.881 -4.370 -2.175 245 HG22 ILE 31 HG22 ILE 31 -9.145 -5.589 -0.929 246 HG23 ILE 31 HG23 ILE 31 -7.505 -5.182 -1.426 247 HD11 ILE 31 HD11 ILE 31 -10.498 -3.063 -2.017 248 HD12 ILE 31 HD12 ILE 31 -9.727 -1.557 -1.510 249 HD13 ILE 31 HD13 ILE 31 -11.368 -1.930 -0.980 250 H GLY 32 H GLY 32 -5.580 -3.240 0.934 251 HA2 GLY 32 HA2 GLY 32 -4.072 -5.365 -0.136 252 HA3 GLY 32 HA3 GLY 32 -3.430 -3.927 0.647 253 H LEU 33 H LEU 33 -4.543 -4.237 3.203 254 HA LEU 33 HA LEU 33 -2.728 -5.971 4.507 255 HB2 LEU 33 HB2 LEU 33 -5.277 -4.630 5.505 256 HB3 LEU 33 HB3 LEU 33 -4.171 -5.491 6.562 257 HG LEU 33 HG LEU 33 -3.441 -3.004 4.956 258 HD11 LEU 33 HD11 LEU 33 -5.075 -2.455 6.688 259 HD12 LEU 33 HD12 LEU 33 -3.495 -1.793 7.093 260 HD13 LEU 33 HD13 LEU 33 -4.078 -3.242 7.918 261 HD21 LEU 33 HD21 LEU 33 -1.399 -2.948 6.321 262 HD22 LEU 33 HD22 LEU 33 -1.494 -4.433 5.377 263 HD23 LEU 33 HD23 LEU 33 -1.861 -4.462 7.105 264 H GLU 34 H GLU 34 -6.193 -6.283 3.744 265 HA GLU 34 HA GLU 34 -6.734 -8.751 4.978 266 HB2 GLU 34 HB2 GLU 34 -8.022 -7.528 2.500 267 HB3 GLU 34 HB3 GLU 34 -8.696 -8.865 3.419 268 HG2 GLU 34 HG2 GLU 34 -8.251 -6.070 4.487 269 HG3 GLU 34 HG3 GLU 34 -9.781 -6.681 3.891 270 H LYS 35 H LYS 35 -5.616 -7.985 1.699 271 HA LYS 35 HA LYS 35 -5.566 -10.621 0.641 272 HB2 LYS 35 HB2 LYS 35 -4.522 -7.926 -0.183 273 HB3 LYS 35 HB3 LYS 35 -3.723 -9.310 -0.916 274 HG2 LYS 35 HG2 LYS 35 -5.553 -8.318 -2.291 275 HG3 LYS 35 HG3 LYS 35 -5.750 -10.039 -1.963 276 HD2 LYS 35 HD2 LYS 35 -7.535 -9.661 -0.449 277 HD3 LYS 35 HD3 LYS 35 -7.148 -7.949 -0.269 278 HE2 LYS 35 HE2 LYS 35 -9.191 -8.400 -1.650 279 HE3 LYS 35 HE3 LYS 35 -7.963 -7.457 -2.485 280 HZ1 LYS 35 HZ1 LYS 35 -8.389 -10.373 -2.836 281 HZ2 LYS 35 HZ2 LYS 35 -7.314 -9.406 -3.703 282 HZ3 LYS 35 HZ3 LYS 35 -8.982 -9.178 -3.873 283 H ASN 36 H ASN 36 -3.086 -8.584 2.183 284 HA ASN 36 HA ASN 36 -0.832 -10.244 1.812 285 HB2 ASN 36 HB2 ASN 36 -0.801 -7.797 2.527 286 HB3 ASN 36 HB3 ASN 36 -1.291 -8.300 4.137 287 HD21 ASN 36 HD21 ASN 36 1.324 -8.179 1.844 288 HD22 ASN 36 HD22 ASN 36 2.572 -8.671 2.930 289 H LYS 37 H LYS 37 -3.264 -10.067 4.354 290 HA LYS 37 HA LYS 37 -2.222 -11.903 6.234 291 HB2 LYS 37 HB2 LYS 37 -4.097 -10.208 6.579 292 HB3 LYS 37 HB3 LYS 37 -5.166 -11.258 5.669 293 HG2 LYS 37 HG2 LYS 37 -3.807 -12.117 8.250 294 HG3 LYS 37 HG3 LYS 37 -5.376 -11.320 8.216 295 HD2 LYS 37 HD2 LYS 37 -6.263 -13.213 6.826 296 HD3 LYS 37 HD3 LYS 37 -4.696 -14.015 6.967 297 HE2 LYS 37 HE2 LYS 37 -6.164 -15.007 8.586 298 HE3 LYS 37 HE3 LYS 37 -5.023 -14.002 9.482 299 HZ1 LYS 37 HZ1 LYS 37 -6.717 -12.269 9.580 300 HZ2 LYS 37 HZ2 LYS 37 -7.267 -13.703 10.280 301 HZ3 LYS 37 HZ3 LYS 37 -7.800 -13.259 8.739 302 H MET 38 H MET 38 -4.330 -12.297 3.398 303 HA MET 38 HA MET 38 -4.679 -15.173 3.768 304 HB2 MET 38 HB2 MET 38 -5.633 -13.275 1.582 305 HB3 MET 38 HB3 MET 38 -6.027 -14.988 1.636 306 HG2 MET 38 HG2 MET 38 -7.193 -14.640 3.786 307 HG3 MET 38 HG3 MET 38 -6.820 -12.921 3.697 308 HE1 MET 38 HE1 MET 38 -7.189 -12.431 0.485 309 HE2 MET 38 HE2 MET 38 -7.744 -11.316 1.737 310 HE3 MET 38 HE3 MET 38 -8.856 -11.864 0.485 311 H GLY 39 H GLY 39 -2.024 -13.643 2.874 312 HA2 GLY 39 HA2 GLY 39 -0.090 -14.548 1.985 313 HA3 GLY 39 HA3 GLY 39 -1.013 -15.890 1.337 314 H LYS 40 H LYS 40 -2.717 -13.374 0.262 315 HA LYS 40 HA LYS 40 -1.652 -13.430 -2.424 316 HB2 LYS 40 HB2 LYS 40 -3.949 -11.835 -1.186 317 HB3 LYS 40 HB3 LYS 40 -3.605 -11.919 -2.909 318 HG2 LYS 40 HG2 LYS 40 -4.155 -14.275 -2.965 319 HG3 LYS 40 HG3 LYS 40 -4.337 -14.322 -1.209 320 HD2 LYS 40 HD2 LYS 40 -6.381 -13.156 -1.249 321 HD3 LYS 40 HD3 LYS 40 -6.055 -12.409 -2.814 322 HE2 LYS 40 HE2 LYS 40 -6.697 -15.352 -2.390 323 HE3 LYS 40 HE3 LYS 40 -7.832 -14.120 -2.952 324 HZ1 LYS 40 HZ1 LYS 40 -5.363 -15.006 -4.342 325 HZ2 LYS 40 HZ2 LYS 40 -6.346 -13.734 -4.862 326 HZ3 LYS 40 HZ3 LYS 40 -6.955 -15.312 -4.818 327 H ALA 41 H ALA 41 0.465 -12.523 -1.632 328 HA ALA 41 HA ALA 41 0.556 -9.801 -0.656 329 HB1 ALA 41 HB1 ALA 41 2.954 -10.182 -0.456 330 HB2 ALA 41 HB2 ALA 41 2.802 -11.710 -1.326 331 HB3 ALA 41 HB3 ALA 41 2.041 -11.511 0.252 332 H ARG 42 H ARG 42 0.799 -11.337 -3.776 333 HA ARG 42 HA ARG 42 2.043 -9.236 -5.228 334 HB2 ARG 42 HB2 ARG 42 1.708 -11.390 -6.338 335 HB3 ARG 42 HB3 ARG 42 -0.035 -11.296 -6.094 336 HG2 ARG 42 HG2 ARG 42 0.463 -10.797 -8.420 337 HG3 ARG 42 HG3 ARG 42 -0.139 -9.340 -7.633 338 HD2 ARG 42 HD2 ARG 42 2.401 -8.740 -7.320 339 HD3 ARG 42 HD3 ARG 42 2.680 -9.968 -8.556 340 HE ARG 42 HE ARG 42 1.586 -7.327 -8.901 341 HH11 ARG 42 HH11 ARG 42 1.705 -10.514 -10.416 342 HH12 ARG 42 HH12 ARG 42 1.344 -9.884 -11.994 343 HH21 ARG 42 HH21 ARG 42 1.132 -6.547 -10.949 344 HH22 ARG 42 HH22 ARG 42 1.020 -7.645 -12.289 345 H GLU 43 H GLU 43 -1.393 -10.023 -4.659 346 HA GLU 43 HA GLU 43 -2.519 -7.652 -5.697 347 HB2 GLU 43 HB2 GLU 43 -3.610 -9.616 -3.643 348 HB3 GLU 43 HB3 GLU 43 -4.552 -8.309 -4.356 349 HG2 GLU 43 HG2 GLU 43 -4.206 -9.345 -6.607 350 HG3 GLU 43 HG3 GLU 43 -3.359 -10.677 -5.825 351 H ALA 44 H ALA 44 -1.371 -8.548 -2.462 352 HA ALA 44 HA ALA 44 -2.409 -6.456 -0.927 353 HB1 ALA 44 HB1 ALA 44 0.234 -7.900 -0.545 354 HB2 ALA 44 HB2 ALA 44 -1.338 -8.449 0.037 355 HB3 ALA 44 HB3 ALA 44 -0.633 -6.968 0.686 356 H ALA 45 H ALA 45 0.826 -6.739 -2.405 357 HA ALA 45 HA ALA 45 1.786 -4.170 -1.811 358 HB1 ALA 45 HB1 ALA 45 3.231 -6.047 -2.485 359 HB2 ALA 45 HB2 ALA 45 3.510 -4.639 -3.509 360 HB3 ALA 45 HB3 ALA 45 2.558 -5.999 -4.116 361 H GLU 46 H GLU 46 -0.184 -5.369 -4.458 362 HA GLU 46 HA GLU 46 -0.021 -3.225 -6.277 363 HB2 GLU 46 HB2 GLU 46 -0.942 -5.616 -6.601 364 HB3 GLU 46 HB3 GLU 46 -2.435 -5.047 -5.885 365 HG2 GLU 46 HG2 GLU 46 -1.204 -3.920 -8.416 366 HG3 GLU 46 HG3 GLU 46 -2.423 -5.185 -8.389 367 H TYR 47 H TYR 47 -2.420 -3.915 -3.691 368 HA TYR 47 HA TYR 47 -3.905 -1.487 -4.058 369 HB2 TYR 47 HB2 TYR 47 -3.854 -3.351 -1.647 370 HB3 TYR 47 HB3 TYR 47 -5.033 -2.075 -1.929 371 HD1 TYR 47 HD1 TYR 47 -6.241 -2.266 -4.354 372 HD2 TYR 47 HD2 TYR 47 -4.541 -5.509 -2.166 373 HE1 TYR 47 HE1 TYR 47 -7.711 -3.842 -5.524 374 HE2 TYR 47 HE2 TYR 47 -5.990 -7.071 -3.345 375 HH TYR 47 HH TYR 47 -7.641 -6.343 -6.125 376 H PHE 48 H PHE 48 -1.216 -2.449 -1.974 377 HA PHE 48 HA PHE 48 -1.161 -0.209 -0.234 378 HB2 PHE 48 HB2 PHE 48 1.092 -2.055 -1.154 379 HB3 PHE 48 HB3 PHE 48 1.305 -0.818 0.077 380 HD1 PHE 48 HD1 PHE 48 -1.432 -1.271 1.454 381 HD2 PHE 48 HD2 PHE 48 1.670 -3.941 0.230 382 HE1 PHE 48 HE1 PHE 48 -2.072 -2.827 3.226 383 HE2 PHE 48 HE2 PHE 48 1.012 -5.519 2.008 384 HZ PHE 48 HZ PHE 48 -0.857 -4.961 3.510 385 H PHE 49 H PHE 49 0.035 -0.784 -3.469 386 HA PHE 49 HA PHE 49 1.691 1.511 -3.727 387 HB2 PHE 49 HB2 PHE 49 1.896 -0.501 -5.192 388 HB3 PHE 49 HB3 PHE 49 0.327 -0.136 -5.911 389 HD1 PHE 49 HD2 PHE 49 3.362 1.903 -5.086 390 HD2 PHE 49 HD1 PHE 49 0.619 0.675 -8.132 391 HE1 PHE 49 HE2 PHE 49 4.496 3.329 -6.698 392 HE2 PHE 49 HE1 PHE 49 1.789 2.127 -9.744 393 HZ PHE 49 HZ PHE 49 3.745 3.454 -9.017 394 H ARG 50 H ARG 50 -1.611 0.778 -4.819 395 HA ARG 50 HA ARG 50 -2.280 3.247 -5.993 396 HB2 ARG 50 HB2 ARG 50 -4.151 1.315 -4.568 397 HB3 ARG 50 HB3 ARG 50 -4.610 2.492 -5.794 398 HG2 ARG 50 HG2 ARG 50 -3.426 1.247 -7.509 399 HG3 ARG 50 HG3 ARG 50 -2.763 0.145 -6.301 400 HD2 ARG 50 HD2 ARG 50 -4.602 -0.946 -7.441 401 HD3 ARG 50 HD3 ARG 50 -5.075 -0.624 -5.772 402 HE ARG 50 HE ARG 50 -5.934 1.483 -7.477 403 HH11 ARG 50 HH11 ARG 50 -6.727 -1.872 -6.703 404 HH12 ARG 50 HH12 ARG 50 -8.400 -1.700 -7.133 405 HH21 ARG 50 HH21 ARG 50 -8.132 1.703 -7.977 406 HH22 ARG 50 HH22 ARG 50 -9.202 0.339 -7.863 407 H ALA 51 H ALA 51 -2.620 2.020 -2.708 408 HA ALA 51 HA ALA 51 -3.942 4.195 -1.485 409 HB1 ALA 51 HB1 ALA 51 -2.091 2.107 -0.278 410 HB2 ALA 51 HB2 ALA 51 -3.836 1.953 -0.495 411 HB3 ALA 51 HB3 ALA 51 -3.197 3.156 0.624 412 H ALA 52 H ALA 52 -0.512 3.368 -1.926 413 HA ALA 52 HA ALA 52 0.625 5.366 -0.266 414 HB1 ALA 52 HB1 ALA 52 2.752 4.877 -1.410 415 HB2 ALA 52 HB2 ALA 52 1.886 3.970 -2.656 416 HB3 ALA 52 HB3 ALA 52 1.896 3.393 -0.989 417 H ILE 53 H ILE 53 -0.179 5.317 -3.718 418 HA ILE 53 HA ILE 53 0.755 7.817 -4.548 419 HB ILE 53 HB ILE 53 -1.744 6.306 -5.468 420 HG12 ILE 53 HG12 ILE 53 1.035 6.375 -6.725 421 HG13 ILE 53 HG13 ILE 53 0.429 5.060 -5.738 422 HG21 ILE 53 HG21 ILE 53 -0.306 8.580 -6.885 423 HG22 ILE 53 HG22 ILE 53 -1.906 8.662 -6.150 424 HG23 ILE 53 HG23 ILE 53 -1.638 7.632 -7.554 425 HD11 ILE 53 HD11 ILE 53 -0.621 5.923 -8.426 426 HD12 ILE 53 HD12 ILE 53 -1.333 4.658 -7.420 427 HD13 ILE 53 HD13 ILE 53 0.302 4.466 -8.051 428 H VAL 54 H VAL 54 -2.270 6.919 -2.914 429 HA VAL 54 HA VAL 54 -3.500 9.497 -3.083 430 HB VAL 54 HB VAL 54 -4.202 7.157 -1.263 431 HG11 VAL 54 HG11 VAL 54 -5.175 9.246 -0.409 432 HG12 VAL 54 HG12 VAL 54 -6.442 8.221 -1.084 433 HG13 VAL 54 HG13 VAL 54 -5.851 9.609 -2.000 434 HG21 VAL 54 HG21 VAL 54 -5.911 6.609 -2.961 435 HG22 VAL 54 HG22 VAL 54 -4.289 6.558 -3.650 436 HG23 VAL 54 HG23 VAL 54 -5.338 7.937 -3.975 437 H PHE 55 H PHE 55 -1.743 7.771 -0.495 438 HA PHE 55 HA PHE 55 -1.989 9.802 1.483 439 HB2 PHE 55 HB2 PHE 55 0.127 7.636 1.176 440 HB3 PHE 55 HB3 PHE 55 -0.112 8.608 2.623 441 HD1 PHE 55 HD1 PHE 55 -2.994 8.623 3.066 442 HD2 PHE 55 HD2 PHE 55 -0.524 5.423 1.668 443 HE1 PHE 55 HE1 PHE 55 -4.594 6.975 3.962 444 HE2 PHE 55 HE2 PHE 55 -2.132 3.792 2.567 445 HZ PHE 55 HZ PHE 55 -4.161 4.568 3.711 446 H TYR 56 H TYR 56 0.165 9.353 -1.195 447 HA TYR 56 HA TYR 56 2.161 11.297 -0.520 448 HB2 TYR 56 HB2 TYR 56 2.718 9.479 -2.010 449 HB3 TYR 56 HB3 TYR 56 1.389 9.869 -3.095 450 HD1 TYR 56 HD2 TYR 56 4.408 11.631 -1.653 451 HD2 TYR 56 HD1 TYR 56 2.029 10.835 -5.112 452 HE1 TYR 56 HE2 TYR 56 5.941 12.961 -3.014 453 HE2 TYR 56 HE1 TYR 56 3.553 12.175 -6.467 454 HH TYR 56 HH TYR 56 5.200 13.927 -6.224 455 H LYS 57 H LYS 57 -0.640 11.348 -2.790 456 HA LYS 57 HA LYS 57 -0.344 14.068 -3.565 457 HB2 LYS 57 HB2 LYS 57 -2.490 13.875 -4.659 458 HB3 LYS 57 HB3 LYS 57 -1.616 12.368 -4.896 459 HG2 LYS 57 HG2 LYS 57 -2.962 11.381 -3.003 460 HG3 LYS 57 HG3 LYS 57 -3.904 12.868 -2.975 461 HD2 LYS 57 HD2 LYS 57 -5.109 11.174 -4.234 462 HD3 LYS 57 HD3 LYS 57 -4.587 12.455 -5.328 463 HE2 LYS 57 HE2 LYS 57 -2.644 10.999 -5.983 464 HE3 LYS 57 HE3 LYS 57 -3.343 9.711 -5.002 465 HZ1 LYS 57 HZ1 LYS 57 -3.982 9.399 -7.261 466 HZ2 LYS 57 HZ2 LYS 57 -4.548 10.983 -7.403 467 HZ3 LYS 57 HZ3 LYS 57 -5.363 9.877 -6.410 468 H GLU 58 H GLU 58 -1.971 12.555 -0.861 469 HA GLU 58 HA GLU 58 -3.219 15.011 0.090 470 HB2 GLU 58 HB2 GLU 58 -2.890 12.264 1.387 471 HB3 GLU 58 HB3 GLU 58 -3.795 13.599 2.094 472 HG2 GLU 58 HG2 GLU 58 -4.444 12.094 -0.445 473 HG3 GLU 58 HG3 GLU 58 -5.348 12.087 1.067 474 H HIS 59 H HIS 59 -0.157 13.615 0.177 475 HA HIS 59 HA HIS 59 1.812 14.112 1.088 476 HB2 HIS 59 HB2 HIS 59 0.462 16.707 1.953 477 HB3 HIS 59 HB3 HIS 59 2.201 16.420 1.974 478 HD1 HIS 59 HD1 HIS 59 3.398 16.233 -0.346 479 HD2 HIS 59 HD2 HIS 59 -0.606 17.258 -0.568 480 HE1 HIS 59 HE1 HIS 59 3.034 16.998 -2.701 481 HE2 HIS 59 HE2 HIS 59 0.567 17.413 -2.850 482 H ASP 60 H ASP 60 -0.312 12.740 2.650 483 HA ASP 60 HA ASP 60 0.262 13.285 5.443 484 HB2 ASP 60 HB2 ASP 60 -2.008 12.510 4.578 485 HB3 ASP 60 HB3 ASP 60 -1.284 10.947 4.205 486 H THR 61 H THR 61 2.425 12.923 5.716 487 HA THR 61 HA THR 61 4.005 10.935 4.543 488 HB THR 61 HB THR 61 5.607 11.447 6.545 489 HG1 THR 61 HG1 THR 61 4.724 12.517 8.102 490 HG21 THR 61 HG21 THR 61 4.686 13.730 4.775 491 HG22 THR 61 HG22 THR 61 5.894 12.508 4.359 492 HG23 THR 61 HG23 THR 61 6.210 13.654 5.663 493 H ASP 62 H ASP 62 2.184 10.876 7.582 494 HA ASP 62 HA ASP 62 3.363 8.603 8.754 495 HB2 ASP 62 HB2 ASP 62 1.908 10.071 10.064 496 HB3 ASP 62 HB3 ASP 62 0.527 9.698 9.035 497 H GLY 63 H GLY 63 0.483 8.919 6.703 498 HA2 GLY 63 HA2 GLY 63 -0.129 6.130 6.557 499 HA3 GLY 63 HA3 GLY 63 -0.805 7.411 5.558 500 H LEU 64 H LEU 64 1.773 8.338 4.572 501 HA LEU 64 HA LEU 64 2.079 6.627 2.299 502 HB2 LEU 64 HB2 LEU 64 2.334 9.057 2.126 503 HB3 LEU 64 HB3 LEU 64 3.662 9.037 3.273 504 HG LEU 64 HG LEU 64 5.074 7.813 1.609 505 HD11 LEU 64 HD11 LEU 64 4.388 7.634 -0.737 506 HD12 LEU 64 HD12 LEU 64 2.763 8.183 -0.317 507 HD13 LEU 64 HD13 LEU 64 3.370 6.647 0.315 508 HD21 LEU 64 HD21 LEU 64 5.453 9.699 0.094 509 HD22 LEU 64 HD22 LEU 64 5.213 10.244 1.750 510 HD23 LEU 64 HD23 LEU 64 3.909 10.412 0.569 511 H ARG 65 H ARG 65 3.916 7.224 5.234 512 HA ARG 65 HA ARG 65 6.206 5.580 4.658 513 HB2 ARG 65 HB2 ARG 65 6.373 7.398 6.273 514 HB3 ARG 65 HB3 ARG 65 5.060 6.749 7.241 515 HG2 ARG 65 HG2 ARG 65 6.424 4.970 8.075 516 HG3 ARG 65 HG3 ARG 65 7.691 5.273 6.884 517 HD2 ARG 65 HD2 ARG 65 6.926 7.407 8.893 518 HD3 ARG 65 HD3 ARG 65 8.047 6.115 9.331 519 HE ARG 65 HE ARG 65 8.484 8.215 7.308 520 HH11 ARG 65 HH11 ARG 65 9.818 5.571 9.212 521 HH12 ARG 65 HH12 ARG 65 11.464 5.968 8.827 522 HH21 ARG 65 HH21 ARG 65 10.664 8.709 6.818 523 HH22 ARG 65 HH22 ARG 65 11.933 7.733 7.484 524 H ARG 66 H ARG 66 3.102 5.169 6.186 525 HA ARG 66 HA ARG 66 3.433 2.569 7.319 526 HB2 ARG 66 HB2 ARG 66 1.805 4.333 8.040 527 HB3 ARG 66 HB3 ARG 66 0.931 4.125 6.529 528 HG2 ARG 66 HG2 ARG 66 0.338 1.829 7.195 529 HG3 ARG 66 HG3 ARG 66 1.227 2.036 8.708 530 HD2 ARG 66 HD2 ARG 66 -1.209 3.630 7.826 531 HD3 ARG 66 HD3 ARG 66 -1.181 2.379 9.066 532 HE ARG 66 HE ARG 66 0.131 5.031 9.273 533 HH11 ARG 66 HH11 ARG 66 -1.258 2.212 10.852 534 HH12 ARG 66 HH12 ARG 66 -1.118 2.892 12.446 535 HH21 ARG 66 HH21 ARG 66 0.311 5.906 11.356 536 HH22 ARG 66 HH22 ARG 66 -0.229 4.986 12.728 537 H ALA 67 H ALA 67 2.138 3.835 4.278 538 HA ALA 67 HA ALA 67 1.257 1.309 3.202 539 HB1 ALA 67 HB1 ALA 67 0.822 2.576 1.140 540 HB2 ALA 67 HB2 ALA 67 1.647 3.986 1.816 541 HB3 ALA 67 HB3 ALA 67 0.154 3.396 2.549 542 H ALA 68 H ALA 68 4.121 3.383 2.880 543 HA ALA 68 HA ALA 68 5.467 1.979 0.821 544 HB1 ALA 68 HB1 ALA 68 6.136 4.253 1.521 545 HB2 ALA 68 HB2 ALA 68 7.499 3.139 1.604 546 HB3 ALA 68 HB3 ALA 68 6.669 3.631 3.084 547 H LYS 69 H LYS 69 5.572 1.799 4.338 548 HA LYS 69 HA LYS 69 7.512 -0.142 4.808 549 HB2 LYS 69 HB2 LYS 69 6.500 1.218 6.590 550 HB3 LYS 69 HB3 LYS 69 4.925 0.488 6.305 551 HG2 LYS 69 HG2 LYS 69 5.918 -1.722 7.041 552 HG3 LYS 69 HG3 LYS 69 7.376 -0.846 7.504 553 HD2 LYS 69 HD2 LYS 69 4.588 -0.435 8.639 554 HD3 LYS 69 HD3 LYS 69 5.929 -1.235 9.450 555 HE2 LYS 69 HE2 LYS 69 7.175 0.895 9.485 556 HE3 LYS 69 HE3 LYS 69 5.832 1.697 8.661 557 HZ1 LYS 69 HZ1 LYS 69 5.686 0.389 11.327 558 HZ2 LYS 69 HZ2 LYS 69 4.413 1.182 10.546 559 HZ3 LYS 69 HZ3 LYS 69 5.768 2.056 11.057 560 H SER 70 H SER 70 3.996 -0.533 4.407 561 HA SER 70 HA SER 70 4.031 -3.376 4.672 562 HB2 SER 70 HB2 SER 70 1.833 -1.523 3.671 563 HB3 SER 70 HB3 SER 70 1.619 -3.206 4.172 564 HG SER 70 HG SER 70 1.739 -0.975 5.691 565 H LEU 71 H LEU 71 4.152 -1.154 1.932 566 HA LEU 71 HA LEU 71 3.451 -2.932 -0.167 567 HB2 LEU 71 HB2 LEU 71 3.815 -0.280 -0.117 568 HB3 LEU 71 HB3 LEU 71 5.428 -0.694 -0.651 569 HG LEU 71 HG LEU 71 2.818 -1.292 -2.120 570 HD11 LEU 71 HD11 LEU 71 3.632 0.303 -3.783 571 HD12 LEU 71 HD12 LEU 71 5.041 0.644 -2.776 572 HD13 LEU 71 HD13 LEU 71 3.421 1.037 -2.195 573 HD21 LEU 71 HD21 LEU 71 4.370 -3.110 -2.603 574 HD22 LEU 71 HD22 LEU 71 5.630 -1.961 -3.041 575 HD23 LEU 71 HD23 LEU 71 4.170 -2.082 -4.022 576 H LYS 72 H LYS 72 6.609 -1.842 1.089 577 HA LYS 72 HA LYS 72 8.155 -3.417 -0.714 578 HB2 LYS 72 HB2 LYS 72 10.100 -2.592 0.519 579 HB3 LYS 72 HB3 LYS 72 8.973 -1.289 0.177 580 HG2 LYS 72 HG2 LYS 72 8.135 -1.474 2.540 581 HG3 LYS 72 HG3 LYS 72 9.413 -2.653 2.849 582 HD2 LYS 72 HD2 LYS 72 11.121 -0.941 2.251 583 HD3 LYS 72 HD3 LYS 72 9.831 0.231 1.960 584 HE2 LYS 72 HE2 LYS 72 10.888 0.556 4.166 585 HE3 LYS 72 HE3 LYS 72 9.184 0.127 4.327 586 HZ1 LYS 72 HZ1 LYS 72 11.404 -1.833 4.545 587 HZ2 LYS 72 HZ2 LYS 72 9.773 -2.083 4.923 588 HZ3 LYS 72 HZ3 LYS 72 10.712 -1.047 5.870 589 H GLU 73 H GLU 73 7.037 -3.902 2.582 590 HA GLU 73 HA GLU 73 8.525 -6.403 2.897 591 HB2 GLU 73 HB2 GLU 73 6.656 -4.895 4.772 592 HB3 GLU 73 HB3 GLU 73 7.515 -6.375 5.203 593 HG2 GLU 73 HG2 GLU 73 9.672 -5.264 4.952 594 HG3 GLU 73 HG3 GLU 73 8.894 -3.815 4.325 595 H ALA 74 H ALA 74 5.691 -5.575 1.347 596 HA ALA 74 HA ALA 74 4.278 -8.068 1.772 597 HB1 ALA 74 HB1 ALA 74 3.065 -6.080 0.960 598 HB2 ALA 74 HB2 ALA 74 2.929 -7.413 -0.187 599 HB3 ALA 74 HB3 ALA 74 4.030 -6.071 -0.517 600 H ILE 75 H ILE 75 6.913 -6.912 -0.258 601 HA ILE 75 HA ILE 75 6.950 -8.947 -2.220 602 HB ILE 75 HB ILE 75 9.116 -7.063 -1.234 603 HG12 ILE 75 HG12 ILE 75 8.986 -6.249 -3.649 604 HG13 ILE 75 HG13 ILE 75 7.633 -7.341 -3.893 605 HG21 ILE 75 HG21 ILE 75 9.539 -9.186 -3.372 606 HG22 ILE 75 HG22 ILE 75 10.345 -9.114 -1.805 607 HG23 ILE 75 HG23 ILE 75 10.655 -7.867 -3.012 608 HD11 ILE 75 HD11 ILE 75 6.906 -5.059 -3.569 609 HD12 ILE 75 HD12 ILE 75 7.713 -5.000 -2.002 610 HD13 ILE 75 HD13 ILE 75 6.337 -6.079 -2.244 611 H THR 76 H THR 76 8.438 -8.769 0.993 612 HA THR 76 HA THR 76 9.872 -11.229 0.864 613 HB THR 76 HB THR 76 9.896 -11.015 3.412 614 HG1 THR 76 HG1 THR 76 8.068 -9.926 3.918 615 HG21 THR 76 HG21 THR 76 11.678 -9.960 2.045 616 HG22 THR 76 HG22 THR 76 11.284 -8.965 3.449 617 HG23 THR 76 HG23 THR 76 10.679 -8.517 1.854 618 H ALA 77 H ALA 77 6.528 -10.567 1.149 619 HA ALA 77 HA ALA 77 5.830 -13.217 2.238 620 HB1 ALA 77 HB1 ALA 77 3.545 -12.285 2.414 621 HB2 ALA 77 HB2 ALA 77 4.088 -10.785 1.652 622 HB3 ALA 77 HB3 ALA 77 4.721 -11.253 3.230 623 H ILE 78 H ILE 78 6.218 -11.659 -0.807 624 HA ILE 78 HA ILE 78 4.141 -12.919 -2.330 625 HB ILE 78 HB ILE 78 6.736 -11.594 -3.261 626 HG12 ILE 78 HG12 ILE 78 3.856 -10.593 -3.319 627 HG13 ILE 78 HG13 ILE 78 5.116 -10.034 -2.232 628 HG21 ILE 78 HG21 ILE 78 6.027 -13.220 -4.970 629 HG22 ILE 78 HG22 ILE 78 5.796 -11.575 -5.553 630 HG23 ILE 78 HG23 ILE 78 4.411 -12.516 -4.993 631 HD11 ILE 78 HD11 ILE 78 4.743 -8.439 -3.994 632 HD12 ILE 78 HD12 ILE 78 5.065 -9.658 -5.225 633 HD13 ILE 78 HD13 ILE 78 6.360 -9.122 -4.146 634 HA PRO 79 HA PRO 79 5.904 -17.117 -3.089 635 HB2 PRO 79 HB2 PRO 79 4.469 -16.601 -5.724 636 HB3 PRO 79 HB3 PRO 79 4.449 -18.056 -4.699 637 HG2 PRO 79 HG2 PRO 79 2.376 -16.425 -4.646 638 HG3 PRO 79 HG3 PRO 79 3.002 -17.103 -3.124 639 HD2 PRO 79 HD2 PRO 79 3.355 -14.326 -4.235 640 HD3 PRO 79 HD3 PRO 79 3.103 -14.854 -2.554 641 H GLU 80 H GLU 80 7.495 -18.088 -4.505 642 HA GLU 80 HA GLU 80 9.280 -16.110 -5.740 643 HB2 GLU 80 HB2 GLU 80 10.983 -17.900 -5.832 644 HB3 GLU 80 HB3 GLU 80 10.388 -17.602 -4.214 645 HG2 GLU 80 HG2 GLU 80 9.287 -19.880 -5.850 646 HG3 GLU 80 HG3 GLU 80 10.812 -20.053 -4.993 647 H GLU 81 H GLU 81 6.724 -17.623 -6.987 648 HA GLU 81 HA GLU 81 7.908 -18.074 -9.660 649 HB2 GLU 81 HB2 GLU 81 6.429 -19.866 -8.860 650 HB3 GLU 81 HB3 GLU 81 5.133 -18.718 -8.553 651 HG2 GLU 81 HG2 GLU 81 5.001 -18.246 -10.995 652 HG3 GLU 81 HG3 GLU 81 6.267 -19.436 -11.280 653 H GLU 82 H GLU 82 4.886 -16.577 -8.395 654 HA GLU 82 HA GLU 82 4.787 -14.824 -10.754 655 HB2 GLU 82 HB2 GLU 82 2.837 -16.299 -9.639 656 HB3 GLU 82 HB3 GLU 82 2.624 -14.887 -8.625 657 HG2 GLU 82 HG2 GLU 82 2.410 -14.962 -11.648 658 HG3 GLU 82 HG3 GLU 82 1.056 -14.925 -10.528 659 H GLY 83 H GLY 83 4.767 -12.573 -10.653 660 HA2 GLY 83 HA2 GLY 83 4.780 -10.435 -9.828 661 HA3 GLY 83 HA3 GLY 83 4.559 -11.069 -8.204 662 H ARG 84 H ARG 84 6.245 -11.083 -6.888 663 HA ARG 84 HA ARG 84 8.217 -10.680 -5.920 664 HB2 ARG 84 HB2 ARG 84 8.834 -12.805 -7.025 665 HB3 ARG 84 HB3 ARG 84 9.342 -11.927 -8.461 666 HG2 ARG 84 HG2 ARG 84 11.302 -12.576 -7.206 667 HG3 ARG 84 HG3 ARG 84 11.133 -10.821 -7.114 668 HD2 ARG 84 HD2 ARG 84 11.760 -11.712 -4.941 669 HD3 ARG 84 HD3 ARG 84 10.117 -11.067 -4.856 670 HE ARG 84 HE ARG 84 10.139 -13.862 -5.458 671 HH11 ARG 84 HH11 ARG 84 10.450 -11.620 -2.759 672 HH12 ARG 84 HH12 ARG 84 9.919 -12.784 -1.588 673 HH21 ARG 84 HH21 ARG 84 9.481 -15.365 -3.910 674 HH22 ARG 84 HH22 ARG 84 9.375 -14.906 -2.243 675 H LYS 85 H LYS 85 9.478 -10.106 -9.189 676 HA LYS 85 HA LYS 85 10.828 -7.695 -8.484 677 HB2 LYS 85 HB2 LYS 85 11.727 -9.199 -10.183 678 HB3 LYS 85 HB3 LYS 85 10.275 -9.043 -11.163 679 HG2 LYS 85 HG2 LYS 85 10.839 -6.624 -11.529 680 HG3 LYS 85 HG3 LYS 85 12.343 -6.879 -10.635 681 HD2 LYS 85 HD2 LYS 85 12.990 -8.631 -12.324 682 HD3 LYS 85 HD3 LYS 85 11.528 -8.240 -13.234 683 HE2 LYS 85 HE2 LYS 85 12.356 -5.927 -13.548 684 HE3 LYS 85 HE3 LYS 85 13.821 -6.340 -12.654 685 HZ1 LYS 85 HZ1 LYS 85 14.368 -7.969 -14.338 686 HZ2 LYS 85 HZ2 LYS 85 14.154 -6.448 -15.044 687 HZ3 LYS 85 HZ3 LYS 85 12.946 -7.620 -15.188 688 H GLU 86 H GLU 86 7.888 -8.454 -10.287 689 HA GLU 86 HA GLU 86 7.243 -6.050 -11.470 690 HB2 GLU 86 HB2 GLU 86 6.082 -8.258 -11.821 691 HB3 GLU 86 HB3 GLU 86 5.305 -8.070 -10.253 692 HG2 GLU 86 HG2 GLU 86 3.725 -7.482 -11.970 693 HG3 GLU 86 HG3 GLU 86 4.174 -6.014 -11.106 694 H ALA 87 H ALA 87 6.209 -7.232 -8.271 695 HA ALA 87 HA ALA 87 4.945 -4.765 -7.492 696 HB1 ALA 87 HB1 ALA 87 4.534 -5.904 -5.363 697 HB2 ALA 87 HB2 ALA 87 5.601 -7.225 -5.852 698 HB3 ALA 87 HB3 ALA 87 4.100 -6.926 -6.730 699 H LYS 88 H LYS 88 8.135 -6.113 -7.190 700 HA LYS 88 HA LYS 88 9.080 -4.761 -4.905 701 HB2 LYS 88 HB2 LYS 88 10.135 -6.684 -6.604 702 HB3 LYS 88 HB3 LYS 88 11.123 -5.304 -7.039 703 HG2 LYS 88 HG2 LYS 88 10.809 -6.499 -4.272 704 HG3 LYS 88 HG3 LYS 88 12.201 -6.691 -5.334 705 HD2 LYS 88 HD2 LYS 88 12.770 -4.339 -5.115 706 HD3 LYS 88 HD3 LYS 88 11.267 -4.006 -4.250 707 HE2 LYS 88 HE2 LYS 88 12.027 -5.339 -2.350 708 HE3 LYS 88 HE3 LYS 88 13.493 -5.797 -3.221 709 HZ1 LYS 88 HZ1 LYS 88 13.925 -4.013 -1.680 710 HZ2 LYS 88 HZ2 LYS 88 12.747 -3.045 -2.400 711 HZ3 LYS 88 HZ3 LYS 88 14.138 -3.463 -3.264 712 H GLU 89 H GLU 89 8.960 -3.911 -8.308 713 HA GLU 89 HA GLU 89 10.499 -1.514 -8.245 714 HB2 GLU 89 HB2 GLU 89 8.370 -2.466 -10.206 715 HB3 GLU 89 HB3 GLU 89 9.469 -1.117 -10.491 716 HG2 GLU 89 HG2 GLU 89 11.395 -2.563 -10.517 717 HG3 GLU 89 HG3 GLU 89 10.450 -3.927 -9.924 718 H MET 90 H MET 90 7.085 -2.202 -7.673 719 HA MET 90 HA MET 90 6.142 0.502 -7.602 720 HB2 MET 90 HB2 MET 90 4.988 -1.927 -6.192 721 HB3 MET 90 HB3 MET 90 4.149 -0.416 -6.484 722 HG2 MET 90 HG2 MET 90 4.403 -0.871 -8.959 723 HG3 MET 90 HG3 MET 90 4.971 -2.480 -8.523 724 HE1 MET 90 HE1 MET 90 3.039 -2.858 -5.821 725 HE2 MET 90 HE2 MET 90 3.437 -4.151 -6.953 726 HE3 MET 90 HE3 MET 90 1.758 -3.811 -6.563 727 H ALA 91 H ALA 91 7.493 -1.723 -5.230 728 HA ALA 91 HA ALA 91 7.077 -0.312 -2.846 729 HB1 ALA 91 HB1 ALA 91 7.838 -2.647 -2.926 730 HB2 ALA 91 HB2 ALA 91 8.931 -1.661 -1.950 731 HB3 ALA 91 HB3 ALA 91 9.388 -2.132 -3.589 732 H LYS 92 H LYS 92 9.642 -0.082 -5.291 733 HA LYS 92 HA LYS 92 11.416 1.678 -4.058 734 HB2 LYS 92 HB2 LYS 92 10.710 1.581 -7.024 735 HB3 LYS 92 HB3 LYS 92 12.145 2.338 -6.340 736 HG2 LYS 92 HG2 LYS 92 12.889 0.104 -5.516 737 HG3 LYS 92 HG3 LYS 92 11.493 -0.626 -6.322 738 HD2 LYS 92 HD2 LYS 92 12.316 0.220 -8.501 739 HD3 LYS 92 HD3 LYS 92 13.705 0.955 -7.696 740 HE2 LYS 92 HE2 LYS 92 14.347 -1.382 -6.925 741 HE3 LYS 92 HE3 LYS 92 13.086 -1.997 -7.998 742 HZ1 LYS 92 HZ1 LYS 92 15.305 -0.255 -8.921 743 HZ2 LYS 92 HZ2 LYS 92 14.212 -1.112 -9.880 744 HZ3 LYS 92 HZ3 LYS 92 15.366 -1.939 -8.962 745 H LYS 93 H LYS 93 8.519 2.344 -6.021 746 HA LYS 93 HA LYS 93 8.708 5.134 -6.255 747 HB2 LYS 93 HB2 LYS 93 6.371 3.207 -6.277 748 HB3 LYS 93 HB3 LYS 93 6.073 4.932 -6.382 749 HG2 LYS 93 HG2 LYS 93 7.821 3.420 -8.339 750 HG3 LYS 93 HG3 LYS 93 6.095 3.712 -8.576 751 HD2 LYS 93 HD2 LYS 93 6.518 6.171 -8.456 752 HD3 LYS 93 HD3 LYS 93 8.239 5.845 -8.288 753 HE2 LYS 93 HE2 LYS 93 8.269 4.804 -10.525 754 HE3 LYS 93 HE3 LYS 93 6.535 5.106 -10.686 755 HZ1 LYS 93 HZ1 LYS 93 6.983 7.485 -10.503 756 HZ2 LYS 93 HZ2 LYS 93 7.809 6.806 -11.810 757 HZ3 LYS 93 HZ3 LYS 93 8.641 7.182 -10.391 758 H ALA 94 H ALA 94 6.975 3.194 -3.813 759 HA ALA 94 HA ALA 94 5.817 5.314 -2.376 760 HB1 ALA 94 HB1 ALA 94 6.493 2.527 -1.402 761 HB2 ALA 94 HB2 ALA 94 5.030 2.991 -2.268 762 HB3 ALA 94 HB3 ALA 94 5.335 3.641 -0.660 763 H GLU 95 H GLU 95 8.931 3.698 -1.991 764 HA GLU 95 HA GLU 95 9.723 4.994 0.449 765 HB2 GLU 95 HB2 GLU 95 11.391 3.596 -1.678 766 HB3 GLU 95 HB3 GLU 95 11.971 4.056 -0.078 767 HG2 GLU 95 HG2 GLU 95 10.416 2.494 0.985 768 HG3 GLU 95 HG3 GLU 95 9.696 2.108 -0.580 769 H GLU 96 H GLU 96 10.179 5.655 -3.003 770 HA GLU 96 HA GLU 96 12.018 7.821 -2.728 771 HB2 GLU 96 HB2 GLU 96 10.175 7.025 -5.027 772 HB3 GLU 96 HB3 GLU 96 11.318 8.359 -5.127 773 HG2 GLU 96 HG2 GLU 96 11.955 5.426 -4.793 774 HG3 GLU 96 HG3 GLU 96 12.287 6.439 -6.193 775 H TRP 97 H TRP 97 8.507 7.580 -2.802 776 HA TRP 97 HA TRP 97 7.950 10.378 -2.918 777 HB2 TRP 97 HB2 TRP 97 6.251 8.019 -1.999 778 HB3 TRP 97 HB3 TRP 97 5.643 9.664 -2.145 779 HD1 TRP 97 HD1 TRP 97 7.265 10.163 -5.035 780 HE1 TRP 97 HE1 TRP 97 6.204 9.145 -7.143 781 HE3 TRP 97 HE3 TRP 97 4.239 6.663 -2.828 782 HZ2 TRP 97 HZ2 TRP 97 4.335 7.148 -7.791 783 HZ3 TRP 97 HZ3 TRP 97 2.848 5.236 -4.280 784 HH2 TRP 97 HH2 TRP 97 2.904 5.482 -6.707 785 H LEU 98 H LEU 98 8.363 8.023 -0.309 786 HA LEU 98 HA LEU 98 7.678 9.675 1.875 787 HB2 LEU 98 HB2 LEU 98 7.815 7.212 2.015 788 HB3 LEU 98 HB3 LEU 98 9.551 7.286 1.762 789 HG LEU 98 HG LEU 98 9.847 8.422 3.944 790 HD11 LEU 98 HD11 LEU 98 7.752 9.661 4.074 791 HD12 LEU 98 HD12 LEU 98 7.979 8.680 5.520 792 HD13 LEU 98 HD13 LEU 98 6.843 8.157 4.272 793 HD21 LEU 98 HD21 LEU 98 9.291 6.531 5.414 794 HD22 LEU 98 HD22 LEU 98 9.956 5.969 3.882 795 HD23 LEU 98 HD23 LEU 98 8.217 5.868 4.178 796 H GLN 99 H GLN 99 10.784 9.057 0.256 797 HA GLN 99 HA GLN 99 12.422 10.763 1.830 798 HB2 GLN 99 HB2 GLN 99 12.667 9.794 -1.049 799 HB3 GLN 99 HB3 GLN 99 13.896 10.796 -0.285 800 HG2 GLN 99 HG2 GLN 99 13.044 8.058 0.707 801 HG3 GLN 99 HG3 GLN 99 14.461 8.376 -0.287 802 HE21 GLN 99 HE21 GLN 99 13.082 8.686 2.896 803 HE22 GLN 99 HE22 GLN 99 14.537 9.145 3.704 804 H ALA 100 H ALA 100 10.519 11.296 -1.121 805 HA ALA 100 HA ALA 100 11.363 13.926 -1.721 806 HB1 ALA 100 HB1 ALA 100 10.263 12.457 -3.359 807 HB2 ALA 100 HB2 ALA 100 9.396 13.987 -3.223 808 HB3 ALA 100 HB3 ALA 100 8.753 12.531 -2.452 809 H GLU 101 H GLU 101 8.831 12.697 0.401 810 HA GLU 101 HA GLU 101 7.496 15.227 0.766 811 HB2 GLU 101 HB2 GLU 101 7.224 12.496 2.082 812 HB3 GLU 101 HB3 GLU 101 6.310 13.887 2.647 813 HG2 GLU 101 HG2 GLU 101 6.175 12.705 -0.136 814 HG3 GLU 101 HG3 GLU 101 4.978 12.496 1.140 815 H GLN 102 H GLN 102 9.666 13.217 2.782 816 HA GLN 102 HA GLN 102 9.516 15.073 5.024 817 HB2 GLN 102 HB2 GLN 102 11.005 12.445 4.660 818 HB3 GLN 102 HB3 GLN 102 10.995 13.377 6.156 819 HG2 GLN 102 HG2 GLN 102 8.536 13.120 6.290 820 HG3 GLN 102 HG3 GLN 102 8.566 12.149 4.817 821 HE21 GLN 102 HE21 GLN 102 7.678 11.445 7.525 822 HE22 GLN 102 HE22 GLN 102 8.609 10.062 7.980 823 H ASN 103 H ASN 103 11.665 15.453 6.238 824 HA ASN 103 HA ASN 103 13.291 17.191 4.612 825 HB2 ASN 103 HB2 ASN 103 13.602 16.439 7.560 826 HB3 ASN 103 HB3 ASN 103 14.462 17.738 6.741 827 HD21 ASN 103 HD21 ASN 103 11.397 16.723 8.051 828 HD22 ASN 103 HD22 ASN 103 10.649 18.279 8.000 829 H ASN 104 H ASN 104 15.292 16.812 3.814 830 HA ASN 104 HA ASN 104 16.669 14.242 4.416 831 HB2 ASN 104 HB2 ASN 104 16.729 15.760 1.762 832 HB3 ASN 104 HB3 ASN 104 17.447 14.185 2.088 833 HD21 ASN 104 HD21 ASN 104 14.498 15.916 1.538 834 HD22 ASN 104 HD22 ASN 104 13.483 14.544 1.280 Start of MODEL 10 1 H1 ALA 1 H1 ALA 1 -16.232 -15.280 0.824 2 H2 ALA 1 H2 ALA 1 -16.078 -16.788 0.081 3 H3 ALA 1 H3 ALA 1 -16.582 -15.448 -0.822 4 HA ALA 1 HA ALA 1 -13.937 -15.739 0.469 5 HB1 ALA 1 HB1 ALA 1 -14.685 -16.005 -2.467 6 HB2 ALA 1 HB2 ALA 1 -14.213 -17.329 -1.400 7 HB3 ALA 1 HB3 ALA 1 -13.049 -16.068 -1.806 8 H ASP 2 H ASP 2 -12.781 -13.870 0.559 9 HA ASP 2 HA ASP 2 -12.110 -11.713 0.379 10 HB2 ASP 2 HB2 ASP 2 -12.211 -12.411 -2.141 11 HB3 ASP 2 HB3 ASP 2 -13.707 -11.498 -2.222 12 H GLU 3 H GLU 3 -14.382 -12.302 1.937 13 HA GLU 3 HA GLU 3 -16.743 -10.879 1.249 14 HB2 GLU 3 HB2 GLU 3 -16.757 -12.901 2.650 15 HB3 GLU 3 HB3 GLU 3 -15.853 -12.069 3.907 16 HG2 GLU 3 HG2 GLU 3 -18.192 -12.237 4.541 17 HG3 GLU 3 HG3 GLU 3 -17.769 -10.551 4.277 18 H ASN 4 H ASN 4 -14.506 -10.253 4.013 19 HA ASN 4 HA ASN 4 -15.586 -7.750 4.753 20 HB2 ASN 4 HB2 ASN 4 -12.714 -8.693 5.223 21 HB3 ASN 4 HB3 ASN 4 -13.547 -7.419 6.110 22 HD21 ASN 4 HD21 ASN 4 -12.293 -9.801 7.144 23 HD22 ASN 4 HD22 ASN 4 -13.517 -10.691 7.975 24 H ILE 5 H ILE 5 -13.126 -8.665 2.472 25 HA ILE 5 HA ILE 5 -11.873 -6.154 2.052 26 HB ILE 5 HB ILE 5 -11.998 -8.634 0.285 27 HG12 ILE 5 HG12 ILE 5 -9.974 -7.735 2.377 28 HG13 ILE 5 HG13 ILE 5 -11.022 -9.143 2.467 29 HG21 ILE 5 HG21 ILE 5 -10.102 -6.269 0.115 30 HG22 ILE 5 HG22 ILE 5 -11.366 -6.677 -1.047 31 HG23 ILE 5 HG23 ILE 5 -9.985 -7.750 -0.837 32 HD11 ILE 5 HD11 ILE 5 -9.812 -10.123 0.563 33 HD12 ILE 5 HD12 ILE 5 -8.782 -9.811 1.959 34 HD13 ILE 5 HD13 ILE 5 -8.726 -8.731 0.569 35 H ALA 6 H ALA 6 -14.344 -7.965 0.233 36 HA ALA 6 HA ALA 6 -14.761 -6.147 -1.864 37 HB1 ALA 6 HB1 ALA 6 -16.734 -8.129 -0.675 38 HB2 ALA 6 HB2 ALA 6 -15.541 -8.486 -1.924 39 HB3 ALA 6 HB3 ALA 6 -16.859 -7.364 -2.265 40 H LYS 7 H LYS 7 -15.972 -6.222 1.439 41 HA LYS 7 HA LYS 7 -17.963 -4.206 1.204 42 HB2 LYS 7 HB2 LYS 7 -17.924 -5.635 3.173 43 HB3 LYS 7 HB3 LYS 7 -16.299 -5.105 3.596 44 HG2 LYS 7 HG2 LYS 7 -17.135 -2.841 4.071 45 HG3 LYS 7 HG3 LYS 7 -18.764 -3.320 3.602 46 HD2 LYS 7 HD2 LYS 7 -17.207 -4.525 5.922 47 HD3 LYS 7 HD3 LYS 7 -18.409 -3.242 6.083 48 HE2 LYS 7 HE2 LYS 7 -20.138 -4.751 5.178 49 HE3 LYS 7 HE3 LYS 7 -18.937 -6.029 5.009 50 HZ1 LYS 7 HZ1 LYS 7 -19.769 -4.776 7.564 51 HZ2 LYS 7 HZ2 LYS 7 -18.640 -6.024 7.404 52 HZ3 LYS 7 HZ3 LYS 7 -20.264 -6.291 7.003 53 H PHE 8 H PHE 8 -14.500 -4.013 2.249 54 HA PHE 8 HA PHE 8 -14.396 -1.192 2.575 55 HB2 PHE 8 HB2 PHE 8 -12.085 -3.060 1.873 56 HB3 PHE 8 HB3 PHE 8 -11.925 -1.431 2.518 57 HD1 PHE 8 HD1 PHE 8 -13.635 -1.237 4.795 58 HD2 PHE 8 HD2 PHE 8 -11.420 -4.649 3.458 59 HE1 PHE 8 HE1 PHE 8 -13.579 -2.113 7.094 60 HE2 PHE 8 HE2 PHE 8 -11.378 -5.516 5.763 61 HZ PHE 8 HZ PHE 8 -12.458 -4.249 7.580 62 H GLU 9 H GLU 9 -13.940 -3.257 -0.201 63 HA GLU 9 HA GLU 9 -12.707 -1.412 -1.989 64 HB2 GLU 9 HB2 GLU 9 -12.602 -3.948 -2.084 65 HB3 GLU 9 HB3 GLU 9 -14.271 -3.973 -2.611 66 HG2 GLU 9 HG2 GLU 9 -12.054 -2.612 -4.177 67 HG3 GLU 9 HG3 GLU 9 -12.497 -4.298 -4.408 68 H LYS 10 H LYS 10 -16.010 -2.690 -1.670 69 HA LYS 10 HA LYS 10 -17.228 -1.015 -3.625 70 HB2 LYS 10 HB2 LYS 10 -18.086 -3.236 -2.983 71 HB3 LYS 10 HB3 LYS 10 -18.426 -2.680 -1.359 72 HG2 LYS 10 HG2 LYS 10 -19.806 -1.354 -3.695 73 HG3 LYS 10 HG3 LYS 10 -20.363 -2.934 -3.144 74 HD2 LYS 10 HD2 LYS 10 -20.694 -1.991 -0.859 75 HD3 LYS 10 HD3 LYS 10 -20.192 -0.409 -1.460 76 HE2 LYS 10 HE2 LYS 10 -22.110 -0.450 -3.053 77 HE3 LYS 10 HE3 LYS 10 -22.632 -1.981 -2.341 78 HZ1 LYS 10 HZ1 LYS 10 -23.825 -0.138 -1.380 79 HZ2 LYS 10 HZ2 LYS 10 -22.384 0.610 -0.914 80 HZ3 LYS 10 HZ3 LYS 10 -22.845 -0.855 -0.207 81 H ALA 11 H ALA 11 -16.499 -0.619 -0.226 82 HA ALA 11 HA ALA 11 -18.296 1.568 0.316 83 HB1 ALA 11 HB1 ALA 11 -15.827 0.687 1.857 84 HB2 ALA 11 HB2 ALA 11 -17.473 0.105 2.115 85 HB3 ALA 11 HB3 ALA 11 -17.081 1.795 2.432 86 H TYR 12 H TYR 12 -15.013 1.255 -0.930 87 HA TYR 12 HA TYR 12 -14.073 3.882 -0.636 88 HB2 TYR 12 HB2 TYR 12 -12.732 1.896 -1.524 89 HB3 TYR 12 HB3 TYR 12 -13.568 2.076 -3.059 90 HD1 TYR 12 HD1 TYR 12 -13.413 4.685 -4.023 91 HD2 TYR 12 HD2 TYR 12 -10.545 2.817 -1.440 92 HE1 TYR 12 HE1 TYR 12 -11.695 6.282 -4.765 93 HE2 TYR 12 HE2 TYR 12 -8.856 4.399 -2.198 94 HH TYR 12 HH TYR 12 -8.428 5.848 -4.246 95 H LYS 13 H LYS 13 -14.865 5.760 -1.429 96 HA LYS 13 HA LYS 13 -17.217 5.685 -3.146 97 HB2 LYS 13 HB2 LYS 13 -17.187 7.071 -1.063 98 HB3 LYS 13 HB3 LYS 13 -15.877 8.039 -1.733 99 HG2 LYS 13 HG2 LYS 13 -17.374 8.760 -3.575 100 HG3 LYS 13 HG3 LYS 13 -18.689 7.829 -2.851 101 HD2 LYS 13 HD2 LYS 13 -18.509 9.248 -0.789 102 HD3 LYS 13 HD3 LYS 13 -17.259 10.207 -1.595 103 HE2 LYS 13 HE2 LYS 13 -19.448 11.308 -1.723 104 HE3 LYS 13 HE3 LYS 13 -18.879 10.867 -3.333 105 HZ1 LYS 13 HZ1 LYS 13 -20.306 8.876 -3.192 106 HZ2 LYS 13 HZ2 LYS 13 -21.188 10.315 -3.117 107 HZ3 LYS 13 HZ3 LYS 13 -20.905 9.422 -1.708 108 H LYS 14 H LYS 14 -14.747 8.232 -3.201 109 HA LYS 14 HA LYS 14 -13.441 7.662 -5.592 110 HB2 LYS 14 HB2 LYS 14 -14.519 9.252 -7.165 111 HB3 LYS 14 HB3 LYS 14 -15.609 7.960 -6.704 112 HG2 LYS 14 HG2 LYS 14 -16.645 9.597 -5.035 113 HG3 LYS 14 HG3 LYS 14 -15.708 10.861 -5.832 114 HD2 LYS 14 HD2 LYS 14 -17.869 9.110 -7.071 115 HD3 LYS 14 HD3 LYS 14 -17.947 10.846 -6.783 116 HE2 LYS 14 HE2 LYS 14 -16.167 11.206 -8.456 117 HE3 LYS 14 HE3 LYS 14 -16.069 9.467 -8.732 118 HZ1 LYS 14 HZ1 LYS 14 -18.351 9.505 -9.540 119 HZ2 LYS 14 HZ2 LYS 14 -17.383 10.573 -10.431 120 HZ3 LYS 14 HZ3 LYS 14 -18.445 11.174 -9.261 121 H ALA 15 H ALA 15 -11.696 9.062 -5.756 122 HA ALA 15 HA ALA 15 -11.542 11.155 -3.641 123 HB1 ALA 15 HB1 ALA 15 -9.336 9.293 -4.600 124 HB2 ALA 15 HB2 ALA 15 -10.275 9.102 -3.115 125 HB3 ALA 15 HB3 ALA 15 -9.212 10.497 -3.312 126 H GLU 16 H GLU 16 -10.689 10.297 -6.964 127 HA GLU 16 HA GLU 16 -8.820 12.444 -7.385 128 HB2 GLU 16 HB2 GLU 16 -10.163 10.559 -9.370 129 HB3 GLU 16 HB3 GLU 16 -8.845 11.661 -9.761 130 HG2 GLU 16 HG2 GLU 16 -7.348 10.445 -8.247 131 HG3 GLU 16 HG3 GLU 16 -8.669 9.367 -7.789 132 H GLU 17 H GLU 17 -12.259 12.060 -7.750 133 HA GLU 17 HA GLU 17 -12.530 14.401 -9.482 134 HB2 GLU 17 HB2 GLU 17 -13.933 12.281 -9.750 135 HB3 GLU 17 HB3 GLU 17 -14.770 12.725 -8.263 136 HG2 GLU 17 HG2 GLU 17 -15.525 14.832 -9.311 137 HG3 GLU 17 HG3 GLU 17 -14.666 14.413 -10.791 138 H LEU 18 H LEU 18 -12.445 13.679 -6.141 139 HA LEU 18 HA LEU 18 -13.952 16.088 -5.335 140 HB2 LEU 18 HB2 LEU 18 -12.871 13.791 -3.641 141 HB3 LEU 18 HB3 LEU 18 -13.793 15.153 -3.022 142 HG LEU 18 HG LEU 18 -14.797 12.929 -4.842 143 HD11 LEU 18 HD11 LEU 18 -16.342 12.420 -2.997 144 HD12 LEU 18 HD12 LEU 18 -15.639 13.717 -2.029 145 HD13 LEU 18 HD13 LEU 18 -14.663 12.313 -2.470 146 HD21 LEU 18 HD21 LEU 18 -16.296 15.426 -3.989 147 HD22 LEU 18 HD22 LEU 18 -17.007 14.038 -4.815 148 HD23 LEU 18 HD23 LEU 18 -15.788 15.014 -5.628 149 H ASN 19 H ASN 19 -13.044 17.542 -3.824 150 HA ASN 19 HA ASN 19 -10.280 18.213 -4.029 151 HB2 ASN 19 HB2 ASN 19 -12.130 19.851 -3.563 152 HB3 ASN 19 HB3 ASN 19 -12.371 19.115 -1.984 153 HD21 ASN 19 HD21 ASN 19 -11.924 21.031 -0.876 154 HD22 ASN 19 HD22 ASN 19 -10.345 21.726 -0.799 155 H GLN 20 H GLN 20 -12.089 16.048 -2.048 156 HA GLN 20 HA GLN 20 -10.033 15.753 0.040 157 HB2 GLN 20 HB2 GLN 20 -12.778 14.428 -0.137 158 HB3 GLN 20 HB3 GLN 20 -11.725 14.516 1.275 159 HG2 GLN 20 HG2 GLN 20 -12.082 16.920 1.439 160 HG3 GLN 20 HG3 GLN 20 -13.002 16.911 -0.057 161 HE21 GLN 20 HE21 GLN 20 -15.113 16.019 -0.058 162 HE22 GLN 20 HE22 GLN 20 -16.007 15.812 1.408 163 H GLY 21 H GLY 21 -8.415 14.488 -0.896 164 HA2 GLY 21 HA2 GLY 21 -9.114 11.772 -1.849 165 HA3 GLY 21 HA3 GLY 21 -7.519 12.518 -1.887 166 H GLU 22 H GLU 22 -7.907 13.534 0.859 167 HA GLU 22 HA GLU 22 -6.392 11.823 2.354 168 HB2 GLU 22 HB2 GLU 22 -7.157 13.211 4.324 169 HB3 GLU 22 HB3 GLU 22 -6.648 14.154 2.927 170 HG2 GLU 22 HG2 GLU 22 -9.066 14.408 2.274 171 HG3 GLU 22 HG3 GLU 22 -9.511 13.595 3.769 172 H LEU 23 H LEU 23 -9.891 11.789 2.074 173 HA LEU 23 HA LEU 23 -10.465 10.127 4.340 174 HB2 LEU 23 HB2 LEU 23 -12.160 10.698 1.872 175 HB3 LEU 23 HB3 LEU 23 -12.746 10.012 3.379 176 HG LEU 23 HG LEU 23 -11.668 12.838 3.027 177 HD11 LEU 23 HD11 LEU 23 -13.980 13.579 3.399 178 HD12 LEU 23 HD12 LEU 23 -14.525 11.901 3.459 179 HD13 LEU 23 HD13 LEU 23 -13.856 12.560 1.965 180 HD21 LEU 23 HD21 LEU 23 -12.425 13.221 5.352 181 HD22 LEU 23 HD22 LEU 23 -11.141 12.021 5.261 182 HD23 LEU 23 HD23 LEU 23 -12.813 11.507 5.506 183 H MET 24 H MET 24 -10.346 9.590 0.841 184 HA MET 24 HA MET 24 -10.548 6.679 1.098 185 HB2 MET 24 HB2 MET 24 -10.484 8.577 -1.273 186 HB3 MET 24 HB3 MET 24 -10.375 6.836 -1.473 187 HG2 MET 24 HG2 MET 24 -12.655 7.507 -1.834 188 HG3 MET 24 HG3 MET 24 -12.571 6.591 -0.332 189 HE1 MET 24 HE1 MET 24 -12.801 10.147 -1.937 190 HE2 MET 24 HE2 MET 24 -11.461 10.373 -0.806 191 HE3 MET 24 HE3 MET 24 -13.005 11.186 -0.524 192 H GLY 25 H GLY 25 -8.917 5.552 -0.646 193 HA2 GLY 25 HA2 GLY 25 -6.725 4.909 -1.089 194 HA3 GLY 25 HA3 GLY 25 -6.145 6.413 -0.369 195 H ARG 26 H ARG 26 -7.210 6.336 2.121 196 HA ARG 26 HA ARG 26 -5.796 4.624 3.763 197 HB2 ARG 26 HB2 ARG 26 -7.195 6.826 4.217 198 HB3 ARG 26 HB3 ARG 26 -8.529 5.723 4.525 199 HG2 ARG 26 HG2 ARG 26 -7.140 4.627 6.296 200 HG3 ARG 26 HG3 ARG 26 -5.896 5.852 6.029 201 HD2 ARG 26 HD2 ARG 26 -8.721 6.281 7.039 202 HD3 ARG 26 HD3 ARG 26 -7.221 6.534 7.926 203 HE ARG 26 HE ARG 26 -8.203 8.208 5.691 204 HH11 ARG 26 HH11 ARG 26 -6.217 7.909 8.588 205 HH12 ARG 26 HH12 ARG 26 -5.807 9.600 8.603 206 HH21 ARG 26 HH21 ARG 26 -7.659 10.394 5.741 207 HH22 ARG 26 HH22 ARG 26 -6.622 10.999 6.996 208 H ALA 27 H ALA 27 -9.050 4.334 2.393 209 HA ALA 27 HA ALA 27 -9.827 1.865 3.528 210 HB1 ALA 27 HB1 ALA 27 -11.528 1.793 1.746 211 HB2 ALA 27 HB2 ALA 27 -10.706 3.102 0.888 212 HB3 ALA 27 HB3 ALA 27 -11.433 3.397 2.469 213 H LEU 28 H LEU 28 -8.178 2.655 0.446 214 HA LEU 28 HA LEU 28 -7.925 0.097 -0.654 215 HB2 LEU 28 HB2 LEU 28 -6.216 2.572 -0.914 216 HB3 LEU 28 HB3 LEU 28 -5.751 1.090 -1.735 217 HG LEU 28 HG LEU 28 -8.288 2.681 -2.193 218 HD11 LEU 28 HD11 LEU 28 -7.334 3.168 -4.416 219 HD12 LEU 28 HD12 LEU 28 -5.848 2.327 -3.967 220 HD13 LEU 28 HD13 LEU 28 -6.325 3.798 -3.116 221 HD21 LEU 28 HD21 LEU 28 -8.742 0.295 -2.468 222 HD22 LEU 28 HD22 LEU 28 -7.378 0.142 -3.576 223 HD23 LEU 28 HD23 LEU 28 -8.777 1.120 -4.025 224 H TYR 29 H TYR 29 -5.891 1.803 1.681 225 HA TYR 29 HA TYR 29 -3.716 0.022 1.778 226 HB2 TYR 29 HB2 TYR 29 -3.536 2.299 2.668 227 HB3 TYR 29 HB3 TYR 29 -4.779 1.972 3.873 228 HD1 TYR 29 HD2 TYR 29 -1.561 0.398 2.746 229 HD2 TYR 29 HD1 TYR 29 -3.934 1.666 6.068 230 HE1 TYR 29 HE2 TYR 29 0.161 -0.404 4.278 231 HE2 TYR 29 HE1 TYR 29 -2.194 0.840 7.600 232 HH TYR 29 HH TYR 29 0.896 -0.236 6.487 233 H ASN 30 H ASN 30 -6.731 0.184 3.684 234 HA ASN 30 HA ASN 30 -6.215 -1.966 5.455 235 HB2 ASN 30 HB2 ASN 30 -8.910 -0.932 4.472 236 HB3 ASN 30 HB3 ASN 30 -8.681 -2.006 5.848 237 HD21 ASN 30 HD21 ASN 30 -6.316 -0.650 6.902 238 HD22 ASN 30 HD22 ASN 30 -6.867 0.853 7.541 239 H ILE 31 H ILE 31 -7.734 -1.837 2.252 240 HA ILE 31 HA ILE 31 -8.594 -4.500 1.974 241 HB ILE 31 HB ILE 31 -7.559 -2.559 -0.158 242 HG12 ILE 31 HG12 ILE 31 -10.453 -3.171 0.603 243 HG13 ILE 31 HG13 ILE 31 -9.561 -1.768 1.170 244 HG21 ILE 31 HG21 ILE 31 -9.190 -5.081 -0.569 245 HG22 ILE 31 HG22 ILE 31 -7.509 -4.844 -1.040 246 HG23 ILE 31 HG23 ILE 31 -8.784 -3.911 -1.822 247 HD11 ILE 31 HD11 ILE 31 -11.014 -1.168 -0.646 248 HD12 ILE 31 HD12 ILE 31 -10.277 -2.381 -1.691 249 HD13 ILE 31 HD13 ILE 31 -9.334 -0.991 -1.148 250 H GLY 32 H GLY 32 -5.499 -2.912 1.273 251 HA2 GLY 32 HA2 GLY 32 -4.106 -5.039 0.094 252 HA3 GLY 32 HA3 GLY 32 -3.380 -3.656 0.905 253 H LEU 33 H LEU 33 -4.217 -3.972 3.501 254 HA LEU 33 HA LEU 33 -2.422 -5.837 4.600 255 HB2 LEU 33 HB2 LEU 33 -4.835 -4.460 5.837 256 HB3 LEU 33 HB3 LEU 33 -3.658 -5.364 6.774 257 HG LEU 33 HG LEU 33 -3.005 -2.867 5.143 258 HD11 LEU 33 HD11 LEU 33 -2.828 -1.685 7.293 259 HD12 LEU 33 HD12 LEU 33 -3.396 -3.123 8.144 260 HD13 LEU 33 HD13 LEU 33 -4.461 -2.284 7.013 261 HD21 LEU 33 HD21 LEU 33 -0.849 -2.884 6.315 262 HD22 LEU 33 HD22 LEU 33 -1.072 -4.366 5.390 263 HD23 LEU 33 HD23 LEU 33 -1.288 -4.382 7.143 264 H GLU 34 H GLU 34 -5.863 -6.037 3.906 265 HA GLU 34 HA GLU 34 -6.374 -8.582 5.120 266 HB2 GLU 34 HB2 GLU 34 -7.918 -6.903 3.114 267 HB3 GLU 34 HB3 GLU 34 -8.537 -8.394 3.807 268 HG2 GLU 34 HG2 GLU 34 -7.737 -6.003 5.478 269 HG3 GLU 34 HG3 GLU 34 -9.368 -6.245 4.859 270 H LYS 35 H LYS 35 -5.443 -7.561 1.845 271 HA LYS 35 HA LYS 35 -5.851 -10.070 0.528 272 HB2 LYS 35 HB2 LYS 35 -4.072 -7.696 -0.167 273 HB3 LYS 35 HB3 LYS 35 -4.261 -9.089 -1.219 274 HG2 LYS 35 HG2 LYS 35 -6.575 -7.338 -0.362 275 HG3 LYS 35 HG3 LYS 35 -5.627 -7.057 -1.822 276 HD2 LYS 35 HD2 LYS 35 -6.259 -9.376 -2.598 277 HD3 LYS 35 HD3 LYS 35 -7.331 -9.499 -1.199 278 HE2 LYS 35 HE2 LYS 35 -8.673 -7.636 -2.003 279 HE3 LYS 35 HE3 LYS 35 -7.539 -7.338 -3.320 280 HZ1 LYS 35 HZ1 LYS 35 -9.492 -8.515 -4.081 281 HZ2 LYS 35 HZ2 LYS 35 -9.205 -9.771 -2.989 282 HZ3 LYS 35 HZ3 LYS 35 -8.117 -9.490 -4.259 283 H ASN 36 H ASN 36 -3.034 -8.469 1.956 284 HA ASN 36 HA ASN 36 -1.048 -10.426 1.535 285 HB2 ASN 36 HB2 ASN 36 -0.779 -7.961 2.301 286 HB3 ASN 36 HB3 ASN 36 -1.164 -8.511 3.926 287 HD21 ASN 36 HD21 ASN 36 1.210 -7.219 3.251 288 HD22 ASN 36 HD22 ASN 36 2.529 -8.314 3.466 289 H LYS 37 H LYS 37 -3.463 -9.955 4.022 290 HA LYS 37 HA LYS 37 -2.664 -11.819 5.960 291 HB2 LYS 37 HB2 LYS 37 -4.252 -9.994 6.364 292 HB3 LYS 37 HB3 LYS 37 -5.423 -10.713 5.280 293 HG2 LYS 37 HG2 LYS 37 -4.554 -12.322 7.680 294 HG3 LYS 37 HG3 LYS 37 -5.605 -10.937 7.953 295 HD2 LYS 37 HD2 LYS 37 -6.231 -13.298 6.136 296 HD3 LYS 37 HD3 LYS 37 -6.895 -13.035 7.747 297 HE2 LYS 37 HE2 LYS 37 -7.329 -11.204 5.361 298 HE3 LYS 37 HE3 LYS 37 -8.490 -12.381 5.965 299 HZ1 LYS 37 HZ1 LYS 37 -7.498 -9.982 7.402 300 HZ2 LYS 37 HZ2 LYS 37 -8.503 -11.158 8.082 301 HZ3 LYS 37 HZ3 LYS 37 -9.052 -10.231 6.780 302 H MET 38 H MET 38 -4.656 -12.205 3.038 303 HA MET 38 HA MET 38 -5.344 -14.984 3.582 304 HB2 MET 38 HB2 MET 38 -5.680 -13.333 1.044 305 HB3 MET 38 HB3 MET 38 -6.358 -14.935 1.306 306 HG2 MET 38 HG2 MET 38 -7.721 -14.027 3.164 307 HG3 MET 38 HG3 MET 38 -7.075 -12.422 2.823 308 HE1 MET 38 HE1 MET 38 -8.445 -11.832 -0.835 309 HE2 MET 38 HE2 MET 38 -6.942 -12.681 -0.476 310 HE3 MET 38 HE3 MET 38 -7.375 -11.229 0.429 311 H GLY 39 H GLY 39 -2.708 -13.323 2.131 312 HA2 GLY 39 HA2 GLY 39 -0.674 -14.640 1.781 313 HA3 GLY 39 HA3 GLY 39 -1.654 -15.848 0.958 314 H LYS 40 H LYS 40 -3.240 -13.599 -0.358 315 HA LYS 40 HA LYS 40 -1.582 -13.352 -2.705 316 HB2 LYS 40 HB2 LYS 40 -4.362 -12.276 -2.102 317 HB3 LYS 40 HB3 LYS 40 -3.556 -12.087 -3.655 318 HG2 LYS 40 HG2 LYS 40 -3.440 -14.568 -3.878 319 HG3 LYS 40 HG3 LYS 40 -4.329 -14.727 -2.364 320 HD2 LYS 40 HD2 LYS 40 -5.377 -13.327 -4.850 321 HD3 LYS 40 HD3 LYS 40 -5.774 -14.982 -4.388 322 HE2 LYS 40 HE2 LYS 40 -6.929 -14.238 -2.411 323 HE3 LYS 40 HE3 LYS 40 -6.334 -12.585 -2.616 324 HZ1 LYS 40 HZ1 LYS 40 -7.635 -12.379 -4.618 325 HZ2 LYS 40 HZ2 LYS 40 -8.639 -12.843 -3.335 326 HZ3 LYS 40 HZ3 LYS 40 -8.162 -13.979 -4.489 327 H ALA 41 H ALA 41 0.134 -12.233 -1.667 328 HA ALA 41 HA ALA 41 -0.234 -9.559 -0.627 329 HB1 ALA 41 HB1 ALA 41 2.157 -9.691 -0.107 330 HB2 ALA 41 HB2 ALA 41 2.280 -11.205 -1.009 331 HB3 ALA 41 HB3 ALA 41 1.301 -11.128 0.457 332 H ARG 42 H ARG 42 0.187 -10.847 -3.735 333 HA ARG 42 HA ARG 42 1.678 -8.713 -4.947 334 HB2 ARG 42 HB2 ARG 42 1.577 -10.855 -6.047 335 HB3 ARG 42 HB3 ARG 42 -0.183 -10.780 -6.156 336 HG2 ARG 42 HG2 ARG 42 -0.143 -9.149 -7.843 337 HG3 ARG 42 HG3 ARG 42 1.496 -8.624 -7.440 338 HD2 ARG 42 HD2 ARG 42 1.423 -9.833 -9.528 339 HD3 ARG 42 HD3 ARG 42 2.407 -10.676 -8.349 340 HE ARG 42 HE ARG 42 0.008 -11.907 -8.088 341 HH11 ARG 42 HH11 ARG 42 1.962 -11.245 -10.955 342 HH12 ARG 42 HH12 ARG 42 1.406 -12.666 -11.791 343 HH21 ARG 42 HH21 ARG 42 -0.644 -13.798 -9.185 344 HH22 ARG 42 HH22 ARG 42 -0.059 -14.102 -10.799 345 H GLU 43 H GLU 43 -1.825 -9.491 -4.774 346 HA GLU 43 HA GLU 43 -2.816 -7.073 -5.845 347 HB2 GLU 43 HB2 GLU 43 -4.081 -8.837 -3.697 348 HB3 GLU 43 HB3 GLU 43 -4.906 -7.539 -4.551 349 HG2 GLU 43 HG2 GLU 43 -4.434 -8.829 -6.704 350 HG3 GLU 43 HG3 GLU 43 -3.938 -10.173 -5.676 351 H ALA 44 H ALA 44 -2.002 -8.037 -2.534 352 HA ALA 44 HA ALA 44 -2.697 -5.791 -1.072 353 HB1 ALA 44 HB1 ALA 44 -1.912 -7.908 -0.087 354 HB2 ALA 44 HB2 ALA 44 -1.045 -6.521 0.576 355 HB3 ALA 44 HB3 ALA 44 -0.271 -7.555 -0.630 356 H ALA 45 H ALA 45 0.357 -6.478 -2.737 357 HA ALA 45 HA ALA 45 1.838 -4.235 -1.973 358 HB1 ALA 45 HB1 ALA 45 2.042 -5.878 -4.526 359 HB2 ALA 45 HB2 ALA 45 2.843 -6.226 -2.991 360 HB3 ALA 45 HB3 ALA 45 3.287 -4.783 -3.901 361 H GLU 46 H GLU 46 -0.390 -4.734 -4.710 362 HA GLU 46 HA GLU 46 -0.038 -2.233 -6.009 363 HB2 GLU 46 HB2 GLU 46 -2.497 -4.036 -5.944 364 HB3 GLU 46 HB3 GLU 46 -2.295 -2.658 -7.022 365 HG2 GLU 46 HG2 GLU 46 -0.347 -3.767 -8.070 366 HG3 GLU 46 HG3 GLU 46 -0.578 -5.155 -7.004 367 H TYR 47 H TYR 47 -2.436 -3.316 -3.581 368 HA TYR 47 HA TYR 47 -3.884 -0.883 -3.455 369 HB2 TYR 47 HB2 TYR 47 -3.667 -3.186 -1.476 370 HB3 TYR 47 HB3 TYR 47 -4.749 -1.819 -1.240 371 HD1 TYR 47 HD1 TYR 47 -6.335 -1.281 -3.338 372 HD2 TYR 47 HD2 TYR 47 -4.584 -5.089 -2.525 373 HE1 TYR 47 HE1 TYR 47 -8.085 -2.377 -4.660 374 HE2 TYR 47 HE2 TYR 47 -6.330 -6.174 -3.859 375 HH TYR 47 HH TYR 47 -8.311 -4.579 -5.964 376 H PHE 48 H PHE 48 -1.030 -1.992 -1.717 377 HA PHE 48 HA PHE 48 -0.899 0.128 0.198 378 HB2 PHE 48 HB2 PHE 48 1.298 -1.673 -0.927 379 HB3 PHE 48 HB3 PHE 48 1.526 -0.563 0.422 380 HD1 PHE 48 HD1 PHE 48 -1.201 -1.107 1.759 381 HD2 PHE 48 HD2 PHE 48 1.841 -3.704 0.258 382 HE1 PHE 48 HE1 PHE 48 -1.872 -2.826 3.361 383 HE2 PHE 48 HE2 PHE 48 1.151 -5.433 1.871 384 HZ PHE 48 HZ PHE 48 -0.702 -4.996 3.423 385 H PHE 49 H PHE 49 0.438 -0.401 -3.031 386 HA PHE 49 HA PHE 49 2.077 1.905 -3.154 387 HB2 PHE 49 HB2 PHE 49 2.393 -0.083 -4.609 388 HB3 PHE 49 HB3 PHE 49 0.873 0.268 -5.429 389 HD1 PHE 49 HD2 PHE 49 3.884 2.277 -4.427 390 HD2 PHE 49 HD1 PHE 49 1.268 1.118 -7.607 391 HE1 PHE 49 HE2 PHE 49 5.129 3.680 -5.979 392 HE2 PHE 49 HE1 PHE 49 2.545 2.541 -9.165 393 HZ PHE 49 HZ PHE 49 4.496 3.825 -8.348 394 H ARG 50 H ARG 50 -1.197 1.247 -4.315 395 HA ARG 50 HA ARG 50 -1.565 3.767 -5.635 396 HB2 ARG 50 HB2 ARG 50 -3.597 1.617 -4.865 397 HB3 ARG 50 HB3 ARG 50 -3.906 2.971 -5.955 398 HG2 ARG 50 HG2 ARG 50 -2.250 2.110 -7.556 399 HG3 ARG 50 HG3 ARG 50 -1.839 0.796 -6.449 400 HD2 ARG 50 HD2 ARG 50 -3.303 -0.058 -8.183 401 HD3 ARG 50 HD3 ARG 50 -4.176 -0.058 -6.652 402 HE ARG 50 HE ARG 50 -5.431 1.818 -7.385 403 HH11 ARG 50 HH11 ARG 50 -3.459 0.440 -9.958 404 HH12 ARG 50 HH12 ARG 50 -4.394 1.176 -11.225 405 HH21 ARG 50 HH21 ARG 50 -6.627 2.758 -9.021 406 HH22 ARG 50 HH22 ARG 50 -6.202 2.499 -10.682 407 H ALA 51 H ALA 51 -2.386 2.414 -2.455 408 HA ALA 51 HA ALA 51 -3.837 4.605 -1.402 409 HB1 ALA 51 HB1 ALA 51 -3.698 2.455 -0.227 410 HB2 ALA 51 HB2 ALA 51 -3.134 3.759 0.816 411 HB3 ALA 51 HB3 ALA 51 -1.969 2.681 0.040 412 H ALA 52 H ALA 52 -0.360 3.831 -1.478 413 HA ALA 52 HA ALA 52 0.650 6.049 -0.084 414 HB1 ALA 52 HB1 ALA 52 2.831 5.474 -1.061 415 HB2 ALA 52 HB2 ALA 52 2.043 4.430 -2.250 416 HB3 ALA 52 HB3 ALA 52 1.978 4.021 -0.537 417 H ILE 53 H ILE 53 -0.194 5.638 -3.500 418 HA ILE 53 HA ILE 53 0.845 8.090 -4.503 419 HB ILE 53 HB ILE 53 -1.431 6.326 -5.545 420 HG12 ILE 53 HG12 ILE 53 1.417 6.630 -6.605 421 HG13 ILE 53 HG13 ILE 53 0.915 5.335 -5.538 422 HG21 ILE 53 HG21 ILE 53 -1.766 8.604 -6.411 423 HG22 ILE 53 HG22 ILE 53 -1.239 7.531 -7.705 424 HG23 ILE 53 HG23 ILE 53 -0.094 8.659 -6.977 425 HD11 ILE 53 HD11 ILE 53 1.018 4.569 -7.814 426 HD12 ILE 53 HD12 ILE 53 -0.096 5.833 -8.334 427 HD13 ILE 53 HD13 ILE 53 -0.656 4.545 -7.261 428 H VAL 54 H VAL 54 -2.449 7.177 -3.339 429 HA VAL 54 HA VAL 54 -3.696 9.684 -3.727 430 HB VAL 54 HB VAL 54 -4.405 7.544 -1.654 431 HG11 VAL 54 HG11 VAL 54 -6.685 8.525 -1.647 432 HG12 VAL 54 HG12 VAL 54 -6.140 9.814 -2.720 433 HG13 VAL 54 HG13 VAL 54 -5.480 9.687 -1.090 434 HG21 VAL 54 HG21 VAL 54 -4.416 6.654 -3.955 435 HG22 VAL 54 HG22 VAL 54 -5.507 7.940 -4.465 436 HG23 VAL 54 HG23 VAL 54 -6.052 6.728 -3.303 437 H PHE 55 H PHE 55 -1.976 8.324 -0.924 438 HA PHE 55 HA PHE 55 -2.361 10.511 0.857 439 HB2 PHE 55 HB2 PHE 55 -0.293 8.277 0.831 440 HB3 PHE 55 HB3 PHE 55 -0.376 9.481 2.113 441 HD1 PHE 55 HD1 PHE 55 -3.089 9.800 2.865 442 HD2 PHE 55 HD2 PHE 55 -1.153 6.217 1.551 443 HE1 PHE 55 HE1 PHE 55 -4.723 8.445 4.112 444 HE2 PHE 55 HE2 PHE 55 -2.793 4.875 2.797 445 HZ PHE 55 HZ PHE 55 -4.568 5.993 4.078 446 H TYR 56 H TYR 56 0.133 9.753 -1.537 447 HA TYR 56 HA TYR 56 1.992 11.773 -0.770 448 HB2 TYR 56 HB2 TYR 56 2.724 9.873 -2.123 449 HB3 TYR 56 HB3 TYR 56 1.621 10.312 -3.430 450 HD1 TYR 56 HD2 TYR 56 4.639 11.528 -1.544 451 HD2 TYR 56 HD1 TYR 56 2.349 11.798 -5.145 452 HE1 TYR 56 HE2 TYR 56 6.369 12.950 -2.550 453 HE2 TYR 56 HE1 TYR 56 4.067 13.214 -6.131 454 HH TYR 56 HH TYR 56 7.151 13.643 -4.766 455 H LYS 57 H LYS 57 -0.586 11.711 -3.230 456 HA LYS 57 HA LYS 57 -0.527 14.300 -4.213 457 HB2 LYS 57 HB2 LYS 57 -2.968 12.608 -3.523 458 HB3 LYS 57 HB3 LYS 57 -3.025 14.067 -4.516 459 HG2 LYS 57 HG2 LYS 57 -1.602 13.024 -6.183 460 HG3 LYS 57 HG3 LYS 57 -1.441 11.581 -5.182 461 HD2 LYS 57 HD2 LYS 57 -3.860 11.137 -5.408 462 HD3 LYS 57 HD3 LYS 57 -4.054 12.599 -6.382 463 HE2 LYS 57 HE2 LYS 57 -2.417 10.152 -7.128 464 HE3 LYS 57 HE3 LYS 57 -3.974 10.606 -7.810 465 HZ1 LYS 57 HZ1 LYS 57 -1.487 12.205 -8.038 466 HZ2 LYS 57 HZ2 LYS 57 -2.977 12.569 -8.748 467 HZ3 LYS 57 HZ3 LYS 57 -2.116 11.202 -9.242 468 H GLU 58 H GLU 58 -2.034 13.121 -1.216 469 HA GLU 58 HA GLU 58 -2.927 15.747 -0.408 470 HB2 GLU 58 HB2 GLU 58 -2.892 13.126 1.165 471 HB3 GLU 58 HB3 GLU 58 -3.779 14.578 1.611 472 HG2 GLU 58 HG2 GLU 58 -4.282 12.888 -0.852 473 HG3 GLU 58 HG3 GLU 58 -5.249 12.873 0.617 474 H HIS 59 H HIS 59 -0.027 14.140 -0.351 475 HA HIS 59 HA HIS 59 1.989 14.340 0.566 476 HB2 HIS 59 HB2 HIS 59 0.985 17.125 1.297 477 HB3 HIS 59 HB3 HIS 59 2.671 16.612 1.435 478 HD1 HIS 59 HD1 HIS 59 3.941 16.087 -0.826 479 HD2 HIS 59 HD2 HIS 59 0.151 17.729 -1.291 480 HE1 HIS 59 HE1 HIS 59 3.795 16.787 -3.234 481 HE2 HIS 59 HE2 HIS 59 1.592 17.977 -3.415 482 H ASP 60 H ASP 60 -0.216 13.253 2.093 483 HA ASP 60 HA ASP 60 0.293 13.703 4.893 484 HB2 ASP 60 HB2 ASP 60 -1.966 13.048 3.898 485 HB3 ASP 60 HB3 ASP 60 -1.299 11.457 3.543 486 H THR 61 H THR 61 2.402 13.221 5.258 487 HA THR 61 HA THR 61 3.896 11.160 4.069 488 HB THR 61 HB THR 61 5.554 11.662 6.004 489 HG1 THR 61 HG1 THR 61 3.775 12.542 7.359 490 HG21 THR 61 HG21 THR 61 6.159 13.864 5.076 491 HG22 THR 61 HG22 THR 61 4.613 13.936 4.227 492 HG23 THR 61 HG23 THR 61 5.801 12.695 3.806 493 H ASP 62 H ASP 62 1.854 11.115 6.895 494 HA ASP 62 HA ASP 62 3.046 8.890 8.227 495 HB2 ASP 62 HB2 ASP 62 1.611 10.494 9.430 496 HB3 ASP 62 HB3 ASP 62 0.220 10.035 8.451 497 H GLY 63 H GLY 63 0.262 9.232 6.029 498 HA2 GLY 63 HA2 GLY 63 -0.459 6.466 5.972 499 HA3 GLY 63 HA3 GLY 63 -0.979 7.711 4.840 500 H LEU 64 H LEU 64 1.481 8.552 3.872 501 HA LEU 64 HA LEU 64 2.171 6.751 1.829 502 HB2 LEU 64 HB2 LEU 64 2.551 9.163 1.681 503 HB3 LEU 64 HB3 LEU 64 3.653 9.114 3.046 504 HG LEU 64 HG LEU 64 5.273 7.797 1.652 505 HD11 LEU 64 HD11 LEU 64 3.376 8.332 -0.650 506 HD12 LEU 64 HD12 LEU 64 3.733 6.760 0.070 507 HD13 LEU 64 HD13 LEU 64 5.000 7.647 -0.770 508 HD21 LEU 64 HD21 LEU 64 5.505 10.230 1.888 509 HD22 LEU 64 HD22 LEU 64 4.487 10.481 0.468 510 HD23 LEU 64 HD23 LEU 64 6.054 9.687 0.304 511 H ARG 65 H ARG 65 3.679 7.440 4.929 512 HA ARG 65 HA ARG 65 5.963 5.749 4.815 513 HB2 ARG 65 HB2 ARG 65 5.810 7.650 6.321 514 HB3 ARG 65 HB3 ARG 65 4.372 6.998 7.090 515 HG2 ARG 65 HG2 ARG 65 5.780 5.168 8.047 516 HG3 ARG 65 HG3 ARG 65 7.207 5.952 7.355 517 HD2 ARG 65 HD2 ARG 65 6.769 7.979 8.671 518 HD3 ARG 65 HD3 ARG 65 5.283 7.265 9.315 519 HE ARG 65 HE ARG 65 7.526 5.617 9.881 520 HH11 ARG 65 HH11 ARG 65 5.992 8.599 10.955 521 HH12 ARG 65 HH12 ARG 65 6.641 8.492 12.559 522 HH21 ARG 65 HH21 ARG 65 8.376 5.501 11.973 523 HH22 ARG 65 HH22 ARG 65 7.997 6.732 13.134 524 H ARG 66 H ARG 66 2.696 5.353 6.107 525 HA ARG 66 HA ARG 66 3.029 2.839 7.374 526 HB2 ARG 66 HB2 ARG 66 0.894 4.774 7.003 527 HB3 ARG 66 HB3 ARG 66 0.255 3.214 6.523 528 HG2 ARG 66 HG2 ARG 66 1.477 3.882 9.224 529 HG3 ARG 66 HG3 ARG 66 -0.240 3.704 8.869 530 HD2 ARG 66 HD2 ARG 66 0.183 1.342 8.208 531 HD3 ARG 66 HD3 ARG 66 1.863 1.531 8.699 532 HE ARG 66 HE ARG 66 0.678 2.153 10.966 533 HH11 ARG 66 HH11 ARG 66 -0.126 -0.477 8.747 534 HH12 ARG 66 HH12 ARG 66 -0.724 -1.504 10.012 535 HH21 ARG 66 HH21 ARG 66 -0.067 0.786 12.596 536 HH22 ARG 66 HH22 ARG 66 -0.690 -0.784 12.191 537 H ALA 67 H ALA 67 1.941 3.817 4.162 538 HA ALA 67 HA ALA 67 1.138 1.247 3.221 539 HB1 ALA 67 HB1 ALA 67 0.917 2.381 1.052 540 HB2 ALA 67 HB2 ALA 67 1.762 3.794 1.690 541 HB3 ALA 67 HB3 ALA 67 0.191 3.332 2.346 542 H ALA 68 H ALA 68 4.077 3.219 2.869 543 HA ALA 68 HA ALA 68 5.494 1.553 1.053 544 HB1 ALA 68 HB1 ALA 68 7.478 2.877 1.688 545 HB2 ALA 68 HB2 ALA 68 6.597 3.555 3.060 546 HB3 ALA 68 HB3 ALA 68 6.082 3.923 1.415 547 H LYS 69 H LYS 69 5.384 1.739 4.576 548 HA LYS 69 HA LYS 69 7.456 -0.043 5.280 549 HB2 LYS 69 HB2 LYS 69 6.168 1.654 6.738 550 HB3 LYS 69 HB3 LYS 69 4.897 0.457 6.879 551 HG2 LYS 69 HG2 LYS 69 7.743 -0.122 7.739 552 HG3 LYS 69 HG3 LYS 69 6.600 0.682 8.808 553 HD2 LYS 69 HD2 LYS 69 5.104 -1.280 8.692 554 HD3 LYS 69 HD3 LYS 69 6.234 -2.084 7.600 555 HE2 LYS 69 HE2 LYS 69 7.952 -2.075 9.359 556 HE3 LYS 69 HE3 LYS 69 6.832 -1.257 10.459 557 HZ1 LYS 69 HZ1 LYS 69 6.914 -3.650 10.846 558 HZ2 LYS 69 HZ2 LYS 69 6.414 -3.944 9.258 559 HZ3 LYS 69 HZ3 LYS 69 5.373 -3.174 10.342 560 H SER 70 H SER 70 3.967 -0.588 4.801 561 HA SER 70 HA SER 70 4.075 -3.423 5.240 562 HB2 SER 70 HB2 SER 70 1.883 -1.689 4.033 563 HB3 SER 70 HB3 SER 70 1.691 -3.357 4.572 564 HG SER 70 HG SER 70 2.571 -2.430 6.669 565 H LEU 71 H LEU 71 4.404 -1.353 2.418 566 HA LEU 71 HA LEU 71 3.631 -3.093 0.347 567 HB2 LEU 71 HB2 LEU 71 4.375 -0.486 0.403 568 HB3 LEU 71 HB3 LEU 71 5.874 -1.156 -0.208 569 HG LEU 71 HG LEU 71 3.135 -1.461 -1.526 570 HD11 LEU 71 HD11 LEU 71 5.454 0.327 -2.277 571 HD12 LEU 71 HD12 LEU 71 3.896 0.825 -1.613 572 HD13 LEU 71 HD13 LEU 71 3.974 0.102 -3.214 573 HD21 LEU 71 HD21 LEU 71 4.327 -2.335 -3.495 574 HD22 LEU 71 HD22 LEU 71 4.543 -3.378 -2.091 575 HD23 LEU 71 HD23 LEU 71 5.850 -2.306 -2.598 576 H LYS 72 H LYS 72 6.845 -2.403 1.679 577 HA LYS 72 HA LYS 72 8.329 -4.162 0.061 578 HB2 LYS 72 HB2 LYS 72 10.157 -3.813 1.669 579 HB3 LYS 72 HB3 LYS 72 9.345 -2.296 1.303 580 HG2 LYS 72 HG2 LYS 72 8.124 -2.413 3.440 581 HG3 LYS 72 HG3 LYS 72 8.904 -3.948 3.814 582 HD2 LYS 72 HD2 LYS 72 10.260 -1.238 3.548 583 HD3 LYS 72 HD3 LYS 72 9.991 -2.139 5.040 584 HE2 LYS 72 HE2 LYS 72 11.832 -2.906 2.754 585 HE3 LYS 72 HE3 LYS 72 12.308 -2.395 4.371 586 HZ1 LYS 72 HZ1 LYS 72 10.894 -4.904 3.660 587 HZ2 LYS 72 HZ2 LYS 72 11.220 -4.402 5.237 588 HZ3 LYS 72 HZ3 LYS 72 12.491 -4.754 4.187 589 H GLU 73 H GLU 73 6.682 -4.686 3.145 590 HA GLU 73 HA GLU 73 7.803 -7.297 3.674 591 HB2 GLU 73 HB2 GLU 73 5.419 -5.878 4.938 592 HB3 GLU 73 HB3 GLU 73 6.214 -7.315 5.579 593 HG2 GLU 73 HG2 GLU 73 8.298 -6.034 5.908 594 HG3 GLU 73 HG3 GLU 73 7.527 -4.594 5.242 595 H ALA 74 H ALA 74 5.023 -6.045 1.975 596 HA ALA 74 HA ALA 74 3.551 -8.470 1.707 597 HB1 ALA 74 HB1 ALA 74 3.604 -6.043 -0.121 598 HB2 ALA 74 HB2 ALA 74 2.530 -6.284 1.256 599 HB3 ALA 74 HB3 ALA 74 2.401 -7.336 -0.152 600 H ILE 75 H ILE 75 6.204 -6.983 -0.103 601 HA ILE 75 HA ILE 75 6.103 -8.602 -2.423 602 HB ILE 75 HB ILE 75 8.475 -7.071 -1.288 603 HG12 ILE 75 HG12 ILE 75 6.499 -6.151 -3.436 604 HG13 ILE 75 HG13 ILE 75 6.315 -5.751 -1.731 605 HG21 ILE 75 HG21 ILE 75 7.983 -8.083 -4.121 606 HG22 ILE 75 HG22 ILE 75 9.185 -8.709 -2.992 607 HG23 ILE 75 HG23 ILE 75 9.338 -7.068 -3.617 608 HD11 ILE 75 HD11 ILE 75 8.674 -5.011 -3.435 609 HD12 ILE 75 HD12 ILE 75 8.414 -4.571 -1.746 610 HD13 ILE 75 HD13 ILE 75 7.333 -3.957 -2.995 611 H THR 76 H THR 76 8.009 -8.857 0.558 612 HA THR 76 HA THR 76 9.397 -11.257 -0.150 613 HB THR 76 HB THR 76 9.744 -11.335 2.455 614 HG1 THR 76 HG1 THR 76 7.998 -9.937 2.992 615 HG21 THR 76 HG21 THR 76 11.474 -10.519 0.882 616 HG22 THR 76 HG22 THR 76 11.446 -9.559 2.360 617 HG23 THR 76 HG23 THR 76 10.723 -8.921 0.883 618 H ALA 77 H ALA 77 6.181 -10.650 0.830 619 HA ALA 77 HA ALA 77 5.672 -13.411 1.703 620 HB1 ALA 77 HB1 ALA 77 4.768 -11.582 3.082 621 HB2 ALA 77 HB2 ALA 77 3.470 -12.560 2.396 622 HB3 ALA 77 HB3 ALA 77 3.848 -10.979 1.702 623 H ILE 78 H ILE 78 5.572 -11.586 -1.202 624 HA ILE 78 HA ILE 78 3.202 -12.486 -2.434 625 HB ILE 78 HB ILE 78 5.816 -11.574 -3.718 626 HG12 ILE 78 HG12 ILE 78 3.129 -10.171 -3.379 627 HG13 ILE 78 HG13 ILE 78 4.591 -9.833 -2.467 628 HG21 ILE 78 HG21 ILE 78 3.173 -12.109 -5.141 629 HG22 ILE 78 HG22 ILE 78 4.662 -13.031 -5.344 630 HG23 ILE 78 HG23 ILE 78 4.593 -11.353 -5.873 631 HD11 ILE 78 HD11 ILE 78 5.680 -9.058 -4.524 632 HD12 ILE 78 HD12 ILE 78 4.223 -8.151 -4.132 633 HD13 ILE 78 HD13 ILE 78 4.182 -9.360 -5.413 634 HA PRO 79 HA PRO 79 4.612 -16.716 -3.509 635 HB2 PRO 79 HB2 PRO 79 2.177 -17.776 -4.028 636 HB3 PRO 79 HB3 PRO 79 2.682 -17.460 -2.353 637 HG2 PRO 79 HG2 PRO 79 0.871 -15.842 -4.106 638 HG3 PRO 79 HG3 PRO 79 0.701 -16.243 -2.383 639 HD2 PRO 79 HD2 PRO 79 1.697 -13.830 -3.325 640 HD3 PRO 79 HD3 PRO 79 2.047 -14.500 -1.717 641 H GLU 80 H GLU 80 4.435 -17.922 -5.566 642 HA GLU 80 HA GLU 80 4.536 -18.179 -7.801 643 HB2 GLU 80 HB2 GLU 80 2.389 -16.021 -7.991 644 HB3 GLU 80 HB3 GLU 80 2.805 -17.196 -9.235 645 HG2 GLU 80 HG2 GLU 80 2.015 -19.026 -7.780 646 HG3 GLU 80 HG3 GLU 80 1.622 -17.859 -6.522 647 H GLU 81 H GLU 81 6.527 -17.535 -8.374 648 HA GLU 81 HA GLU 81 7.498 -14.854 -8.411 649 HB2 GLU 81 HB2 GLU 81 8.607 -17.385 -9.673 650 HB3 GLU 81 HB3 GLU 81 9.495 -15.869 -9.530 651 HG2 GLU 81 HG2 GLU 81 9.474 -16.016 -7.096 652 HG3 GLU 81 HG3 GLU 81 8.427 -17.433 -7.156 653 H GLU 82 H GLU 82 5.534 -16.539 -10.606 654 HA GLU 82 HA GLU 82 5.839 -15.324 -13.060 655 HB2 GLU 82 HB2 GLU 82 4.124 -17.002 -12.508 656 HB3 GLU 82 HB3 GLU 82 3.288 -15.878 -11.461 657 HG2 GLU 82 HG2 GLU 82 3.588 -15.220 -14.382 658 HG3 GLU 82 HG3 GLU 82 2.403 -16.428 -13.910 659 H GLY 83 H GLY 83 4.366 -13.996 -10.103 660 HA2 GLY 83 HA2 GLY 83 4.314 -11.266 -11.158 661 HA3 GLY 83 HA3 GLY 83 3.763 -11.802 -9.579 662 H ARG 84 H ARG 84 5.090 -11.563 -7.874 663 HA ARG 84 HA ARG 84 6.725 -10.853 -6.514 664 HB2 ARG 84 HB2 ARG 84 7.822 -12.948 -7.257 665 HB3 ARG 84 HB3 ARG 84 8.559 -12.093 -8.609 666 HG2 ARG 84 HG2 ARG 84 10.294 -12.263 -7.028 667 HG3 ARG 84 HG3 ARG 84 9.718 -10.612 -6.840 668 HD2 ARG 84 HD2 ARG 84 10.052 -11.448 -4.641 669 HD3 ARG 84 HD3 ARG 84 8.303 -11.486 -4.885 670 HE ARG 84 HE ARG 84 9.531 -13.965 -5.610 671 HH11 ARG 84 HH11 ARG 84 8.459 -12.169 -2.772 672 HH12 ARG 84 HH12 ARG 84 8.247 -13.597 -1.814 673 HH21 ARG 84 HH21 ARG 84 9.271 -15.817 -4.315 674 HH22 ARG 84 HH22 ARG 84 8.705 -15.658 -2.683 675 H LYS 85 H LYS 85 8.543 -10.276 -9.568 676 HA LYS 85 HA LYS 85 9.821 -8.002 -8.480 677 HB2 LYS 85 HB2 LYS 85 10.915 -9.471 -10.140 678 HB3 LYS 85 HB3 LYS 85 9.772 -8.954 -11.376 679 HG2 LYS 85 HG2 LYS 85 10.633 -6.669 -11.279 680 HG3 LYS 85 HG3 LYS 85 11.696 -7.095 -9.938 681 HD2 LYS 85 HD2 LYS 85 12.959 -8.624 -11.435 682 HD3 LYS 85 HD3 LYS 85 11.888 -8.186 -12.771 683 HE2 LYS 85 HE2 LYS 85 14.039 -6.950 -12.835 684 HE3 LYS 85 HE3 LYS 85 12.654 -5.867 -12.684 685 HZ1 LYS 85 HZ1 LYS 85 14.533 -5.287 -11.209 686 HZ2 LYS 85 HZ2 LYS 85 14.339 -6.758 -10.398 687 HZ3 LYS 85 HZ3 LYS 85 13.106 -5.603 -10.358 688 H GLU 86 H GLU 86 7.087 -8.298 -10.721 689 HA GLU 86 HA GLU 86 6.836 -5.716 -11.694 690 HB2 GLU 86 HB2 GLU 86 4.374 -6.173 -11.879 691 HB3 GLU 86 HB3 GLU 86 5.375 -7.479 -12.500 692 HG2 GLU 86 HG2 GLU 86 4.936 -8.868 -10.600 693 HG3 GLU 86 HG3 GLU 86 4.216 -7.537 -9.699 694 H ALA 87 H ALA 87 5.645 -7.010 -8.633 695 HA ALA 87 HA ALA 87 4.496 -4.549 -7.682 696 HB1 ALA 87 HB1 ALA 87 4.003 -5.873 -5.671 697 HB2 ALA 87 HB2 ALA 87 4.984 -7.196 -6.302 698 HB3 ALA 87 HB3 ALA 87 3.510 -6.712 -7.140 699 H LYS 88 H LYS 88 7.556 -6.192 -7.429 700 HA LYS 88 HA LYS 88 8.582 -5.050 -5.070 701 HB2 LYS 88 HB2 LYS 88 9.475 -7.081 -6.314 702 HB3 LYS 88 HB3 LYS 88 10.203 -5.990 -7.475 703 HG2 LYS 88 HG2 LYS 88 10.887 -5.882 -4.521 704 HG3 LYS 88 HG3 LYS 88 11.713 -6.976 -5.628 705 HD2 LYS 88 HD2 LYS 88 12.482 -5.051 -6.966 706 HD3 LYS 88 HD3 LYS 88 11.628 -3.949 -5.883 707 HE2 LYS 88 HE2 LYS 88 13.091 -4.708 -4.016 708 HE3 LYS 88 HE3 LYS 88 13.969 -5.736 -5.153 709 HZ1 LYS 88 HZ1 LYS 88 15.122 -3.667 -4.848 710 HZ2 LYS 88 HZ2 LYS 88 13.749 -2.780 -5.278 711 HZ3 LYS 88 HZ3 LYS 88 14.525 -3.743 -6.427 712 H GLU 89 H GLU 89 8.842 -4.070 -8.473 713 HA GLU 89 HA GLU 89 10.602 -1.915 -8.233 714 HB2 GLU 89 HB2 GLU 89 8.353 -2.131 -10.272 715 HB3 GLU 89 HB3 GLU 89 9.844 -1.217 -10.448 716 HG2 GLU 89 HG2 GLU 89 9.508 -4.222 -10.451 717 HG3 GLU 89 HG3 GLU 89 10.028 -3.201 -11.782 718 H MET 90 H MET 90 7.208 -2.085 -7.539 719 HA MET 90 HA MET 90 6.576 0.704 -7.615 720 HB2 MET 90 HB2 MET 90 5.141 -1.513 -6.127 721 HB3 MET 90 HB3 MET 90 4.471 0.050 -6.565 722 HG2 MET 90 HG2 MET 90 4.823 -0.607 -8.992 723 HG3 MET 90 HG3 MET 90 5.179 -2.232 -8.409 724 HE1 MET 90 HE1 MET 90 3.009 -2.170 -5.839 725 HE2 MET 90 HE2 MET 90 3.351 -3.592 -6.823 726 HE3 MET 90 HE3 MET 90 1.693 -3.047 -6.615 727 H ALA 91 H ALA 91 7.683 -1.501 -5.043 728 HA ALA 91 HA ALA 91 7.249 0.212 -2.826 729 HB1 ALA 91 HB1 ALA 91 8.847 -1.205 -1.609 730 HB2 ALA 91 HB2 ALA 91 9.329 -1.964 -3.131 731 HB3 ALA 91 HB3 ALA 91 7.685 -2.161 -2.528 732 H LYS 92 H LYS 92 9.841 0.038 -5.200 733 HA LYS 92 HA LYS 92 11.762 1.683 -4.001 734 HB2 LYS 92 HB2 LYS 92 12.198 0.512 -6.145 735 HB3 LYS 92 HB3 LYS 92 11.024 1.537 -6.967 736 HG2 LYS 92 HG2 LYS 92 12.450 3.531 -6.398 737 HG3 LYS 92 HG3 LYS 92 13.649 2.434 -5.715 738 HD2 LYS 92 HD2 LYS 92 13.961 1.395 -7.950 739 HD3 LYS 92 HD3 LYS 92 12.744 2.487 -8.619 740 HE2 LYS 92 HE2 LYS 92 14.163 4.428 -8.022 741 HE3 LYS 92 HE3 LYS 92 15.381 3.331 -7.370 742 HZ1 LYS 92 HZ1 LYS 92 15.951 4.036 -9.589 743 HZ2 LYS 92 HZ2 LYS 92 14.489 3.453 -10.201 744 HZ3 LYS 92 HZ3 LYS 92 15.634 2.377 -9.581 745 H LYS 93 H LYS 93 8.913 2.484 -5.989 746 HA LYS 93 HA LYS 93 9.301 5.291 -6.119 747 HB2 LYS 93 HB2 LYS 93 6.863 3.511 -6.448 748 HB3 LYS 93 HB3 LYS 93 6.742 5.256 -6.602 749 HG2 LYS 93 HG2 LYS 93 8.595 3.560 -8.297 750 HG3 LYS 93 HG3 LYS 93 6.948 4.001 -8.764 751 HD2 LYS 93 HD2 LYS 93 7.537 6.397 -8.612 752 HD3 LYS 93 HD3 LYS 93 9.181 5.962 -8.148 753 HE2 LYS 93 HE2 LYS 93 8.979 6.596 -10.528 754 HE3 LYS 93 HE3 LYS 93 9.562 4.940 -10.337 755 HZ1 LYS 93 HZ1 LYS 93 7.370 4.129 -10.827 756 HZ2 LYS 93 HZ2 LYS 93 7.851 5.177 -12.062 757 HZ3 LYS 93 HZ3 LYS 93 6.746 5.699 -10.896 758 H ALA 94 H ALA 94 7.221 3.326 -3.957 759 HA ALA 94 HA ALA 94 6.158 5.414 -2.399 760 HB1 ALA 94 HB1 ALA 94 5.234 3.134 -2.416 761 HB2 ALA 94 HB2 ALA 94 5.573 3.663 -0.767 762 HB3 ALA 94 HB3 ALA 94 6.666 2.538 -1.578 763 H GLU 95 H GLU 95 9.212 3.696 -2.186 764 HA GLU 95 HA GLU 95 10.023 4.749 0.362 765 HB2 GLU 95 HB2 GLU 95 10.846 2.604 -1.141 766 HB3 GLU 95 HB3 GLU 95 12.118 3.739 -1.547 767 HG2 GLU 95 HG2 GLU 95 11.377 2.776 1.236 768 HG3 GLU 95 HG3 GLU 95 12.778 2.279 0.299 769 H GLU 96 H GLU 96 10.585 5.622 -3.048 770 HA GLU 96 HA GLU 96 12.556 7.639 -2.628 771 HB2 GLU 96 HB2 GLU 96 10.646 7.211 -4.975 772 HB3 GLU 96 HB3 GLU 96 11.959 8.379 -4.978 773 HG2 GLU 96 HG2 GLU 96 12.283 5.382 -4.748 774 HG3 GLU 96 HG3 GLU 96 12.514 6.323 -6.210 775 H TRP 97 H TRP 97 9.033 7.625 -2.777 776 HA TRP 97 HA TRP 97 8.632 10.444 -2.734 777 HB2 TRP 97 HB2 TRP 97 6.774 8.186 -1.843 778 HB3 TRP 97 HB3 TRP 97 6.292 9.877 -2.004 779 HD1 TRP 97 HD1 TRP 97 7.987 10.199 -4.864 780 HE1 TRP 97 HE1 TRP 97 6.881 9.265 -6.971 781 HE3 TRP 97 HE3 TRP 97 4.639 7.025 -2.682 782 HZ2 TRP 97 HZ2 TRP 97 4.884 7.413 -7.648 783 HZ3 TRP 97 HZ3 TRP 97 3.154 5.707 -4.136 784 HH2 TRP 97 HH2 TRP 97 3.281 5.908 -6.567 785 H LEU 98 H LEU 98 8.923 7.944 -0.232 786 HA LEU 98 HA LEU 98 8.404 9.584 2.004 787 HB2 LEU 98 HB2 LEU 98 8.446 7.068 2.007 788 HB3 LEU 98 HB3 LEU 98 10.198 7.127 1.892 789 HG LEU 98 HG LEU 98 10.315 8.238 4.116 790 HD11 LEU 98 HD11 LEU 98 8.334 8.453 5.551 791 HD12 LEU 98 HD12 LEU 98 7.294 7.923 4.230 792 HD13 LEU 98 HD13 LEU 98 8.178 9.447 4.102 793 HD21 LEU 98 HD21 LEU 98 8.708 5.654 4.166 794 HD22 LEU 98 HD22 LEU 98 9.677 6.301 5.493 795 HD23 LEU 98 HD23 LEU 98 10.462 5.788 4.004 796 H GLN 99 H GLN 99 11.439 8.801 0.293 797 HA GLN 99 HA GLN 99 13.238 10.268 1.927 798 HB2 GLN 99 HB2 GLN 99 13.437 9.544 -1.029 799 HB3 GLN 99 HB3 GLN 99 14.769 10.173 -0.067 800 HG2 GLN 99 HG2 GLN 99 13.354 7.535 0.411 801 HG3 GLN 99 HG3 GLN 99 14.909 7.733 -0.391 802 HE21 GLN 99 HE21 GLN 99 14.267 6.206 1.998 803 HE22 GLN 99 HE22 GLN 99 15.263 6.835 3.262 804 H ALA 100 H ALA 100 11.243 11.189 -0.839 805 HA ALA 100 HA ALA 100 12.449 13.740 -1.345 806 HB1 ALA 100 HB1 ALA 100 11.241 12.522 -3.107 807 HB2 ALA 100 HB2 ALA 100 10.525 14.113 -2.855 808 HB3 ALA 100 HB3 ALA 100 9.731 12.673 -2.209 809 H GLU 101 H GLU 101 9.519 12.674 0.336 810 HA GLU 101 HA GLU 101 8.577 15.250 1.092 811 HB2 GLU 101 HB2 GLU 101 7.917 12.479 2.166 812 HB3 GLU 101 HB3 GLU 101 7.067 13.942 2.637 813 HG2 GLU 101 HG2 GLU 101 7.192 12.878 -0.197 814 HG3 GLU 101 HG3 GLU 101 5.873 12.581 0.925 815 H GLN 102 H GLN 102 10.705 12.867 2.632 816 HA GLN 102 HA GLN 102 11.066 14.493 5.037 817 HB2 GLN 102 HB2 GLN 102 12.523 11.956 4.142 818 HB3 GLN 102 HB3 GLN 102 12.743 12.752 5.693 819 HG2 GLN 102 HG2 GLN 102 10.187 11.438 4.724 820 HG3 GLN 102 HG3 GLN 102 11.318 10.760 5.890 821 HE21 GLN 102 HE21 GLN 102 8.461 11.382 6.169 822 HE22 GLN 102 HE22 GLN 102 8.342 12.443 7.526 823 H ASN 103 H ASN 103 11.591 16.295 3.442 824 HA ASN 103 HA ASN 103 14.407 16.378 2.575 825 HB2 ASN 103 HB2 ASN 103 12.743 17.111 0.919 826 HB3 ASN 103 HB3 ASN 103 12.084 18.292 2.040 827 HD21 ASN 103 HD21 ASN 103 14.840 17.516 0.004 828 HD22 ASN 103 HD22 ASN 103 15.511 19.105 -0.027 829 H ASN 104 H ASN 104 15.803 17.064 4.067 830 HA ASN 104 HA ASN 104 15.001 18.781 6.281 831 HB2 ASN 104 HB2 ASN 104 17.333 18.420 7.132 832 HB3 ASN 104 HB3 ASN 104 16.457 16.921 6.846 833 HD21 ASN 104 HD21 ASN 104 17.087 15.608 5.064 834 HD22 ASN 104 HD22 ASN 104 18.649 15.757 4.341 Start of MODEL 11 1 H1 ALA 1 H1 ALA 1 -12.406 -18.557 1.354 2 H2 ALA 1 H2 ALA 1 -12.846 -17.242 0.393 3 H3 ALA 1 H3 ALA 1 -13.404 -17.345 1.981 4 HA ALA 1 HA ALA 1 -11.168 -17.158 2.820 5 HB1 ALA 1 HB1 ALA 1 -9.311 -16.612 1.308 6 HB2 ALA 1 HB2 ALA 1 -10.390 -16.723 -0.083 7 HB3 ALA 1 HB3 ALA 1 -10.033 -18.164 0.869 8 H ASP 2 H ASP 2 -12.167 -15.235 -0.043 9 HA ASP 2 HA ASP 2 -11.872 -12.708 1.360 10 HB2 ASP 2 HB2 ASP 2 -12.532 -11.696 -0.792 11 HB3 ASP 2 HB3 ASP 2 -11.273 -12.893 -1.032 12 H GLU 3 H GLU 3 -13.527 -11.361 2.044 13 HA GLU 3 HA GLU 3 -16.334 -11.988 1.638 14 HB2 GLU 3 HB2 GLU 3 -15.687 -13.476 3.570 15 HB3 GLU 3 HB3 GLU 3 -15.182 -12.053 4.471 16 HG2 GLU 3 HG2 GLU 3 -17.334 -12.633 5.294 17 HG3 GLU 3 HG3 GLU 3 -17.569 -11.208 4.286 18 H ASN 4 H ASN 4 -14.345 -10.223 4.043 19 HA ASN 4 HA ASN 4 -15.958 -7.893 4.153 20 HB2 ASN 4 HB2 ASN 4 -13.001 -8.080 4.896 21 HB3 ASN 4 HB3 ASN 4 -14.161 -6.895 5.488 22 HD21 ASN 4 HD21 ASN 4 -12.456 -8.663 6.990 23 HD22 ASN 4 HD22 ASN 4 -13.484 -9.650 7.970 24 H ILE 5 H ILE 5 -13.451 -8.885 2.019 25 HA ILE 5 HA ILE 5 -12.390 -6.489 1.058 26 HB ILE 5 HB ILE 5 -12.799 -9.074 -0.530 27 HG12 ILE 5 HG12 ILE 5 -10.543 -8.276 1.362 28 HG13 ILE 5 HG13 ILE 5 -11.677 -9.600 1.586 29 HG21 ILE 5 HG21 ILE 5 -10.741 -6.866 -0.870 30 HG22 ILE 5 HG22 ILE 5 -12.132 -7.147 -1.914 31 HG23 ILE 5 HG23 ILE 5 -10.842 -8.343 -1.829 32 HD11 ILE 5 HD11 ILE 5 -9.520 -10.429 0.922 33 HD12 ILE 5 HD12 ILE 5 -9.535 -9.422 -0.523 34 HD13 ILE 5 HD13 ILE 5 -10.695 -10.738 -0.354 35 H ALA 6 H ALA 6 -15.208 -8.380 -0.029 36 HA ALA 6 HA ALA 6 -15.959 -6.886 -2.284 37 HB1 ALA 6 HB1 ALA 6 -16.880 -9.111 -1.765 38 HB2 ALA 6 HB2 ALA 6 -18.172 -7.940 -2.034 39 HB3 ALA 6 HB3 ALA 6 -17.758 -8.442 -0.391 40 H LYS 7 H LYS 7 -16.723 -6.469 1.149 41 HA LYS 7 HA LYS 7 -18.611 -4.377 0.952 42 HB2 LYS 7 HB2 LYS 7 -18.306 -5.639 3.029 43 HB3 LYS 7 HB3 LYS 7 -16.643 -5.084 3.180 44 HG2 LYS 7 HG2 LYS 7 -17.448 -2.765 3.525 45 HG3 LYS 7 HG3 LYS 7 -19.118 -3.319 3.379 46 HD2 LYS 7 HD2 LYS 7 -17.140 -4.176 5.532 47 HD3 LYS 7 HD3 LYS 7 -18.440 -3.005 5.746 48 HE2 LYS 7 HE2 LYS 7 -18.783 -5.958 5.116 49 HE3 LYS 7 HE3 LYS 7 -19.074 -5.186 6.672 50 HZ1 LYS 7 HZ1 LYS 7 -20.823 -3.851 5.582 51 HZ2 LYS 7 HZ2 LYS 7 -21.148 -5.506 5.560 52 HZ3 LYS 7 HZ3 LYS 7 -20.598 -4.739 4.159 53 H PHE 8 H PHE 8 -15.068 -4.303 1.462 54 HA PHE 8 HA PHE 8 -14.863 -1.488 1.734 55 HB2 PHE 8 HB2 PHE 8 -12.728 -3.551 1.086 56 HB3 PHE 8 HB3 PHE 8 -12.391 -1.876 1.497 57 HD1 PHE 8 HD1 PHE 8 -14.125 -1.321 3.796 58 HD2 PHE 8 HD2 PHE 8 -11.923 -4.873 2.859 59 HE1 PHE 8 HE1 PHE 8 -14.002 -1.893 6.189 60 HE2 PHE 8 HE2 PHE 8 -11.818 -5.435 5.254 61 HZ PHE 8 HZ PHE 8 -12.857 -3.949 6.919 62 H GLU 9 H GLU 9 -14.442 -3.609 -1.088 63 HA GLU 9 HA GLU 9 -13.403 -1.586 -2.846 64 HB2 GLU 9 HB2 GLU 9 -14.635 -4.303 -3.475 65 HB3 GLU 9 HB3 GLU 9 -13.847 -3.265 -4.661 66 HG2 GLU 9 HG2 GLU 9 -11.730 -3.421 -3.299 67 HG3 GLU 9 HG3 GLU 9 -12.544 -4.597 -2.267 68 H LYS 10 H LYS 10 -16.592 -2.380 -1.801 69 HA LYS 10 HA LYS 10 -17.830 -0.741 -3.938 70 HB2 LYS 10 HB2 LYS 10 -19.130 -2.561 -1.867 71 HB3 LYS 10 HB3 LYS 10 -19.988 -1.668 -3.116 72 HG2 LYS 10 HG2 LYS 10 -17.941 -3.854 -3.637 73 HG3 LYS 10 HG3 LYS 10 -19.686 -4.068 -3.687 74 HD2 LYS 10 HD2 LYS 10 -18.124 -2.205 -5.519 75 HD3 LYS 10 HD3 LYS 10 -18.640 -3.834 -5.954 76 HE2 LYS 10 HE2 LYS 10 -20.465 -1.505 -5.264 77 HE3 LYS 10 HE3 LYS 10 -20.194 -2.169 -6.873 78 HZ1 LYS 10 HZ1 LYS 10 -22.240 -3.006 -5.981 79 HZ2 LYS 10 HZ2 LYS 10 -21.473 -3.569 -4.587 80 HZ3 LYS 10 HZ3 LYS 10 -21.135 -4.276 -6.079 81 H ALA 11 H ALA 11 -16.854 -0.642 -0.658 82 HA ALA 11 HA ALA 11 -18.573 1.576 0.159 83 HB1 ALA 11 HB1 ALA 11 -17.307 1.505 2.267 84 HB2 ALA 11 HB2 ALA 11 -16.180 0.333 1.583 85 HB3 ALA 11 HB3 ALA 11 -17.870 -0.109 1.832 86 H TYR 12 H TYR 12 -15.491 1.055 -1.309 87 HA TYR 12 HA TYR 12 -14.890 3.947 -1.237 88 HB2 TYR 12 HB2 TYR 12 -13.387 2.670 0.322 89 HB3 TYR 12 HB3 TYR 12 -12.840 1.688 -1.035 90 HD1 TYR 12 HD2 TYR 12 -13.410 5.398 -0.825 91 HD2 TYR 12 HD1 TYR 12 -10.508 2.289 -1.311 92 HE1 TYR 12 HE2 TYR 12 -11.690 7.066 -1.306 93 HE2 TYR 12 HE1 TYR 12 -8.816 3.986 -1.788 94 HH TYR 12 HH TYR 12 -8.735 6.302 -2.644 95 H LYS 13 H LYS 13 -13.815 4.766 -3.065 96 HA LYS 13 HA LYS 13 -13.896 3.145 -5.547 97 HB2 LYS 13 HB2 LYS 13 -14.741 6.062 -5.123 98 HB3 LYS 13 HB3 LYS 13 -14.646 5.269 -6.694 99 HG2 LYS 13 HG2 LYS 13 -16.442 3.760 -6.121 100 HG3 LYS 13 HG3 LYS 13 -16.461 4.327 -4.454 101 HD2 LYS 13 HD2 LYS 13 -17.073 6.166 -6.795 102 HD3 LYS 13 HD3 LYS 13 -18.319 5.192 -6.022 103 HE2 LYS 13 HE2 LYS 13 -18.428 7.399 -5.091 104 HE3 LYS 13 HE3 LYS 13 -17.759 6.354 -3.840 105 HZ1 LYS 13 HZ1 LYS 13 -16.632 8.530 -4.086 106 HZ2 LYS 13 HZ2 LYS 13 -16.124 8.081 -5.627 107 HZ3 LYS 13 HZ3 LYS 13 -15.585 7.221 -4.273 108 H LYS 14 H LYS 14 -12.731 5.251 -7.137 109 HA LYS 14 HA LYS 14 -9.982 5.164 -6.155 110 HB2 LYS 14 HB2 LYS 14 -10.631 4.666 -8.575 111 HB3 LYS 14 HB3 LYS 14 -10.976 6.383 -8.763 112 HG2 LYS 14 HG2 LYS 14 -8.764 5.970 -9.622 113 HG3 LYS 14 HG3 LYS 14 -8.597 6.880 -8.121 114 HD2 LYS 14 HD2 LYS 14 -6.902 5.131 -8.193 115 HD3 LYS 14 HD3 LYS 14 -8.070 4.745 -6.925 116 HE2 LYS 14 HE2 LYS 14 -7.442 2.756 -8.262 117 HE3 LYS 14 HE3 LYS 14 -9.165 3.116 -8.398 118 HZ1 LYS 14 HZ1 LYS 14 -8.158 2.569 -10.537 119 HZ2 LYS 14 HZ2 LYS 14 -7.093 3.872 -10.395 120 HZ3 LYS 14 HZ3 LYS 14 -8.753 4.148 -10.535 121 H ALA 15 H ALA 15 -8.784 6.947 -5.600 122 HA ALA 15 HA ALA 15 -10.278 9.197 -4.542 123 HB1 ALA 15 HB1 ALA 15 -7.326 8.554 -4.295 124 HB2 ALA 15 HB2 ALA 15 -8.598 7.992 -3.208 125 HB3 ALA 15 HB3 ALA 15 -8.241 9.715 -3.321 126 H GLU 16 H GLU 16 -8.991 8.712 -7.531 127 HA GLU 16 HA GLU 16 -7.713 11.243 -8.041 128 HB2 GLU 16 HB2 GLU 16 -7.671 10.564 -10.376 129 HB3 GLU 16 HB3 GLU 16 -7.240 9.177 -9.384 130 HG2 GLU 16 HG2 GLU 16 -9.487 8.235 -9.666 131 HG3 GLU 16 HG3 GLU 16 -9.992 9.656 -10.570 132 H GLU 17 H GLU 17 -10.985 10.187 -7.853 133 HA GLU 17 HA GLU 17 -12.288 11.702 -9.822 134 HB2 GLU 17 HB2 GLU 17 -13.389 10.838 -7.109 135 HB3 GLU 17 HB3 GLU 17 -14.349 11.300 -8.514 136 HG2 GLU 17 HG2 GLU 17 -13.488 9.337 -9.748 137 HG3 GLU 17 HG3 GLU 17 -12.521 8.883 -8.345 138 H LEU 18 H LEU 18 -11.829 12.370 -6.383 139 HA LEU 18 HA LEU 18 -12.271 15.266 -6.822 140 HB2 LEU 18 HB2 LEU 18 -13.002 13.570 -4.394 141 HB3 LEU 18 HB3 LEU 18 -13.108 15.320 -4.444 142 HG LEU 18 HG LEU 18 -14.763 13.416 -6.158 143 HD11 LEU 18 HD11 LEU 18 -15.430 13.309 -3.805 144 HD12 LEU 18 HD12 LEU 18 -16.671 14.104 -4.768 145 HD13 LEU 18 HD13 LEU 18 -15.597 15.066 -3.747 146 HD21 LEU 18 HD21 LEU 18 -14.361 15.518 -7.330 147 HD22 LEU 18 HD22 LEU 18 -14.899 16.440 -5.925 148 HD23 LEU 18 HD23 LEU 18 -16.043 15.426 -6.809 149 H ASN 19 H ASN 19 -10.608 16.531 -6.235 150 HA ASN 19 HA ASN 19 -8.127 15.414 -5.284 151 HB2 ASN 19 HB2 ASN 19 -8.196 17.208 -6.997 152 HB3 ASN 19 HB3 ASN 19 -8.955 18.303 -5.846 153 HD21 ASN 19 HD21 ASN 19 -7.692 19.262 -4.261 154 HD22 ASN 19 HD22 ASN 19 -5.966 19.218 -4.276 155 H GLN 20 H GLN 20 -8.608 14.621 -3.230 156 HA GLN 20 HA GLN 20 -8.515 16.319 -0.928 157 HB2 GLN 20 HB2 GLN 20 -10.790 15.661 -0.003 158 HB3 GLN 20 HB3 GLN 20 -10.868 16.765 -1.373 159 HG2 GLN 20 HG2 GLN 20 -11.585 15.060 -2.858 160 HG3 GLN 20 HG3 GLN 20 -11.145 13.777 -1.737 161 HE21 GLN 20 HE21 GLN 20 -13.557 16.162 -2.548 162 HE22 GLN 20 HE22 GLN 20 -14.777 15.570 -1.479 163 H GLY 21 H GLY 21 -6.868 14.355 -1.651 164 HA2 GLY 21 HA2 GLY 21 -7.482 11.682 -1.047 165 HA3 GLY 21 HA3 GLY 21 -5.870 12.369 -1.112 166 H GLU 22 H GLU 22 -6.744 14.283 1.090 167 HA GLU 22 HA GLU 22 -5.803 13.060 3.390 168 HB2 GLU 22 HB2 GLU 22 -6.954 14.986 4.605 169 HB3 GLU 22 HB3 GLU 22 -5.890 15.441 3.278 170 HG2 GLU 22 HG2 GLU 22 -7.827 15.765 1.795 171 HG3 GLU 22 HG3 GLU 22 -8.909 15.276 3.097 172 H LEU 23 H LEU 23 -9.073 13.129 2.139 173 HA LEU 23 HA LEU 23 -10.303 12.193 4.597 174 HB2 LEU 23 HB2 LEU 23 -11.512 12.731 1.851 175 HB3 LEU 23 HB3 LEU 23 -12.417 12.450 3.332 176 HG LEU 23 HG LEU 23 -10.620 14.858 2.791 177 HD11 LEU 23 HD11 LEU 23 -13.649 14.704 2.910 178 HD12 LEU 23 HD12 LEU 23 -12.660 15.004 1.481 179 HD13 LEU 23 HD13 LEU 23 -12.700 16.188 2.781 180 HD21 LEU 23 HD21 LEU 23 -11.485 15.781 4.898 181 HD22 LEU 23 HD22 LEU 23 -10.584 14.290 5.158 182 HD23 LEU 23 HD23 LEU 23 -12.350 14.273 5.210 183 H MET 24 H MET 24 -8.681 10.626 2.088 184 HA MET 24 HA MET 24 -10.135 8.099 2.483 185 HB2 MET 24 HB2 MET 24 -10.482 7.811 0.096 186 HB3 MET 24 HB3 MET 24 -11.242 9.300 0.628 187 HG2 MET 24 HG2 MET 24 -9.102 10.478 -0.206 188 HG3 MET 24 HG3 MET 24 -8.749 8.957 -1.029 189 HE1 MET 24 HE1 MET 24 -12.192 10.759 -0.366 190 HE2 MET 24 HE2 MET 24 -12.366 11.651 -1.879 191 HE3 MET 24 HE3 MET 24 -11.043 12.039 -0.776 192 H GLY 25 H GLY 25 -8.896 6.650 0.379 193 HA2 GLY 25 HA2 GLY 25 -6.841 5.865 -0.449 194 HA3 GLY 25 HA3 GLY 25 -5.987 6.918 0.665 195 H ARG 26 H ARG 26 -7.149 6.239 3.031 196 HA ARG 26 HA ARG 26 -5.603 4.087 3.914 197 HB2 ARG 26 HB2 ARG 26 -8.026 5.333 5.291 198 HB3 ARG 26 HB3 ARG 26 -6.727 4.438 6.079 199 HG2 ARG 26 HG2 ARG 26 -5.125 6.184 5.577 200 HG3 ARG 26 HG3 ARG 26 -6.293 7.042 4.577 201 HD2 ARG 26 HD2 ARG 26 -7.689 7.424 6.631 202 HD3 ARG 26 HD3 ARG 26 -6.408 6.674 7.594 203 HE ARG 26 HE ARG 26 -4.957 8.532 6.474 204 HH11 ARG 26 HH11 ARG 26 -8.269 8.945 7.612 205 HH12 ARG 26 HH12 ARG 26 -8.067 10.636 7.938 206 HH21 ARG 26 HH21 ARG 26 -4.706 10.744 6.900 207 HH22 ARG 26 HH22 ARG 26 -6.038 11.662 7.538 208 H ALA 27 H ALA 27 -8.876 4.170 2.682 209 HA ALA 27 HA ALA 27 -9.829 1.725 3.758 210 HB1 ALA 27 HB1 ALA 27 -11.633 1.908 2.103 211 HB2 ALA 27 HB2 ALA 27 -10.748 3.190 1.273 212 HB3 ALA 27 HB3 ALA 27 -11.343 3.448 2.911 213 H LEU 28 H LEU 28 -8.103 2.493 0.713 214 HA LEU 28 HA LEU 28 -8.149 -0.082 -0.453 215 HB2 LEU 28 HB2 LEU 28 -6.107 2.155 -0.658 216 HB3 LEU 28 HB3 LEU 28 -5.908 0.643 -1.529 217 HG LEU 28 HG LEU 28 -8.112 2.682 -1.917 218 HD11 LEU 28 HD11 LEU 28 -7.160 3.000 -4.150 219 HD12 LEU 28 HD12 LEU 28 -5.885 1.838 -3.780 220 HD13 LEU 28 HD13 LEU 28 -5.974 3.359 -2.892 221 HD21 LEU 28 HD21 LEU 28 -8.949 1.274 -3.743 222 HD22 LEU 28 HD22 LEU 28 -9.058 0.450 -2.190 223 HD23 LEU 28 HD23 LEU 28 -7.774 0.026 -3.326 224 H TYR 29 H TYR 29 -5.890 1.434 1.812 225 HA TYR 29 HA TYR 29 -3.953 -0.532 2.124 226 HB2 TYR 29 HB2 TYR 29 -3.847 1.792 3.039 227 HB3 TYR 29 HB3 TYR 29 -5.070 1.384 4.226 228 HD1 TYR 29 HD1 TYR 29 -4.494 -0.270 6.071 229 HD2 TYR 29 HD2 TYR 29 -1.520 1.305 3.447 230 HE1 TYR 29 HE1 TYR 29 -2.750 -0.889 7.679 231 HE2 TYR 29 HE2 TYR 29 0.226 0.678 5.051 232 HH TYR 29 HH TYR 29 -0.359 -1.398 7.663 233 H ASN 30 H ASN 30 -7.147 -0.241 3.671 234 HA ASN 30 HA ASN 30 -6.978 -2.435 5.470 235 HB2 ASN 30 HB2 ASN 30 -9.363 -1.022 4.213 236 HB3 ASN 30 HB3 ASN 30 -9.559 -2.347 5.354 237 HD21 ASN 30 HD21 ASN 30 -7.030 0.172 5.649 238 HD22 ASN 30 HD22 ASN 30 -7.706 0.892 7.060 239 H ILE 31 H ILE 31 -8.134 -2.187 2.116 240 HA ILE 31 HA ILE 31 -9.069 -4.853 1.799 241 HB ILE 31 HB ILE 31 -7.925 -3.128 -0.467 242 HG12 ILE 31 HG12 ILE 31 -10.775 -3.056 0.610 243 HG13 ILE 31 HG13 ILE 31 -9.577 -1.806 0.874 244 HG21 ILE 31 HG21 ILE 31 -8.440 -5.462 -1.081 245 HG22 ILE 31 HG22 ILE 31 -9.540 -4.347 -1.887 246 HG23 ILE 31 HG23 ILE 31 -10.092 -5.268 -0.486 247 HD11 ILE 31 HD11 ILE 31 -11.128 -1.150 -0.844 248 HD12 ILE 31 HD12 ILE 31 -10.759 -2.596 -1.781 249 HD13 ILE 31 HD13 ILE 31 -9.522 -1.361 -1.538 250 H GLY 32 H GLY 32 -5.924 -3.313 1.426 251 HA2 GLY 32 HA2 GLY 32 -4.407 -5.369 0.267 252 HA3 GLY 32 HA3 GLY 32 -3.781 -4.095 1.309 253 H LEU 33 H LEU 33 -4.981 -4.553 3.684 254 HA LEU 33 HA LEU 33 -3.515 -6.602 4.918 255 HB2 LEU 33 HB2 LEU 33 -6.044 -5.197 5.863 256 HB3 LEU 33 HB3 LEU 33 -4.999 -6.157 6.898 257 HG LEU 33 HG LEU 33 -4.183 -3.574 5.499 258 HD11 LEU 33 HD11 LEU 33 -5.808 -3.154 7.279 259 HD12 LEU 33 HD12 LEU 33 -4.215 -2.553 7.730 260 HD13 LEU 33 HD13 LEU 33 -4.817 -4.059 8.427 261 HD21 LEU 33 HD21 LEU 33 -2.140 -3.690 6.874 262 HD22 LEU 33 HD22 LEU 33 -2.263 -5.057 5.768 263 HD23 LEU 33 HD23 LEU 33 -2.632 -5.271 7.483 264 H GLU 34 H GLU 34 -6.799 -6.559 3.635 265 HA GLU 34 HA GLU 34 -7.695 -9.036 4.728 266 HB2 GLU 34 HB2 GLU 34 -8.713 -7.356 2.407 267 HB3 GLU 34 HB3 GLU 34 -9.537 -8.798 2.988 268 HG2 GLU 34 HG2 GLU 34 -9.038 -6.267 4.566 269 HG3 GLU 34 HG3 GLU 34 -10.576 -6.781 3.876 270 H LYS 35 H LYS 35 -6.381 -8.154 1.517 271 HA LYS 35 HA LYS 35 -6.590 -10.805 0.446 272 HB2 LYS 35 HB2 LYS 35 -5.134 -8.331 -0.531 273 HB3 LYS 35 HB3 LYS 35 -5.063 -9.867 -1.394 274 HG2 LYS 35 HG2 LYS 35 -7.673 -9.758 -1.346 275 HG3 LYS 35 HG3 LYS 35 -7.442 -8.045 -0.980 276 HD2 LYS 35 HD2 LYS 35 -6.261 -7.693 -3.062 277 HD3 LYS 35 HD3 LYS 35 -6.192 -9.431 -3.374 278 HE2 LYS 35 HE2 LYS 35 -7.894 -8.499 -4.784 279 HE3 LYS 35 HE3 LYS 35 -8.700 -9.436 -3.530 280 HZ1 LYS 35 HZ1 LYS 35 -9.829 -7.371 -3.891 281 HZ2 LYS 35 HZ2 LYS 35 -8.419 -6.484 -3.624 282 HZ3 LYS 35 HZ3 LYS 35 -9.125 -7.344 -2.355 283 H ASN 36 H ASN 36 -4.163 -9.109 2.263 284 HA ASN 36 HA ASN 36 -1.917 -10.750 1.708 285 HB2 ASN 36 HB2 ASN 36 -1.882 -8.437 2.784 286 HB3 ASN 36 HB3 ASN 36 -2.438 -9.187 4.277 287 HD21 ASN 36 HD21 ASN 36 -0.591 -8.584 5.385 288 HD22 ASN 36 HD22 ASN 36 0.956 -9.307 5.117 289 H LYS 37 H LYS 37 -4.643 -11.097 3.889 290 HA LYS 37 HA LYS 37 -3.703 -13.178 5.579 291 HB2 LYS 37 HB2 LYS 37 -6.550 -12.556 4.682 292 HB3 LYS 37 HB3 LYS 37 -6.127 -13.646 6.002 293 HG2 LYS 37 HG2 LYS 37 -5.138 -11.767 7.257 294 HG3 LYS 37 HG3 LYS 37 -5.535 -10.668 5.931 295 HD2 LYS 37 HD2 LYS 37 -7.961 -11.181 6.260 296 HD3 LYS 37 HD3 LYS 37 -7.537 -12.221 7.627 297 HE2 LYS 37 HE2 LYS 37 -8.277 -10.032 8.419 298 HE3 LYS 37 HE3 LYS 37 -6.569 -10.256 8.792 299 HZ1 LYS 37 HZ1 LYS 37 -7.692 -8.660 6.558 300 HZ2 LYS 37 HZ2 LYS 37 -6.042 -8.947 6.800 301 HZ3 LYS 37 HZ3 LYS 37 -6.922 -8.075 7.940 302 H MET 38 H MET 38 -5.129 -13.188 2.355 303 HA MET 38 HA MET 38 -5.362 -16.080 2.144 304 HB2 MET 38 HB2 MET 38 -5.638 -13.894 0.028 305 HB3 MET 38 HB3 MET 38 -6.034 -15.591 -0.213 306 HG2 MET 38 HG2 MET 38 -7.786 -15.402 1.543 307 HG3 MET 38 HG3 MET 38 -7.415 -13.683 1.685 308 HE1 MET 38 HE1 MET 38 -6.897 -12.877 -1.411 309 HE2 MET 38 HE2 MET 38 -7.842 -11.918 -0.270 310 HE3 MET 38 HE3 MET 38 -8.521 -12.337 -1.840 311 H GLY 39 H GLY 39 -2.722 -14.172 2.245 312 HA2 GLY 39 HA2 GLY 39 -0.504 -14.612 1.764 313 HA3 GLY 39 HA3 GLY 39 -1.000 -15.996 0.801 314 H LYS 40 H LYS 40 -2.803 -13.337 -0.145 315 HA LYS 40 HA LYS 40 -1.267 -13.003 -2.596 316 HB2 LYS 40 HB2 LYS 40 -3.974 -11.886 -1.737 317 HB3 LYS 40 HB3 LYS 40 -3.235 -11.597 -3.311 318 HG2 LYS 40 HG2 LYS 40 -3.228 -14.075 -3.697 319 HG3 LYS 40 HG3 LYS 40 -4.130 -14.270 -2.191 320 HD2 LYS 40 HD2 LYS 40 -5.991 -12.955 -3.119 321 HD3 LYS 40 HD3 LYS 40 -5.076 -12.673 -4.605 322 HE2 LYS 40 HE2 LYS 40 -5.089 -15.099 -5.071 323 HE3 LYS 40 HE3 LYS 40 -5.991 -15.382 -3.579 324 HZ1 LYS 40 HZ1 LYS 40 -6.924 -13.862 -5.943 325 HZ2 LYS 40 HZ2 LYS 40 -7.767 -13.977 -4.487 326 HZ3 LYS 40 HZ3 LYS 40 -7.491 -15.359 -5.410 327 H ALA 41 H ALA 41 0.515 -12.110 -1.403 328 HA ALA 41 HA ALA 41 0.378 -9.579 -0.075 329 HB1 ALA 41 HB1 ALA 41 2.786 -11.160 -1.038 330 HB2 ALA 41 HB2 ALA 41 2.028 -11.284 0.548 331 HB3 ALA 41 HB3 ALA 41 2.819 -9.782 0.074 332 H ARG 42 H ARG 42 0.867 -10.599 -3.379 333 HA ARG 42 HA ARG 42 2.067 -8.193 -4.379 334 HB2 ARG 42 HB2 ARG 42 2.046 -10.546 -5.459 335 HB3 ARG 42 HB3 ARG 42 0.410 -10.195 -5.998 336 HG2 ARG 42 HG2 ARG 42 2.852 -8.542 -6.700 337 HG3 ARG 42 HG3 ARG 42 2.218 -9.836 -7.699 338 HD2 ARG 42 HD2 ARG 42 0.792 -7.237 -7.035 339 HD3 ARG 42 HD3 ARG 42 1.560 -7.647 -8.573 340 HE ARG 42 HE ARG 42 -0.448 -9.552 -7.782 341 HH11 ARG 42 HH11 ARG 42 -0.031 -6.439 -9.400 342 HH12 ARG 42 HH12 ARG 42 -1.499 -6.601 -10.310 343 HH21 ARG 42 HH21 ARG 42 -2.360 -9.715 -8.961 344 HH22 ARG 42 HH22 ARG 42 -2.820 -8.451 -10.061 345 H GLU 43 H GLU 43 -1.177 -9.552 -4.379 346 HA GLU 43 HA GLU 43 -2.553 -7.382 -5.544 347 HB2 GLU 43 HB2 GLU 43 -3.472 -9.694 -3.784 348 HB3 GLU 43 HB3 GLU 43 -4.588 -8.518 -4.467 349 HG2 GLU 43 HG2 GLU 43 -4.608 -10.535 -5.792 350 HG3 GLU 43 HG3 GLU 43 -3.936 -9.219 -6.748 351 H ALA 44 H ALA 44 -1.706 -8.229 -2.208 352 HA ALA 44 HA ALA 44 -3.019 -6.135 -0.815 353 HB1 ALA 44 HB1 ALA 44 -2.082 -8.126 0.302 354 HB2 ALA 44 HB2 ALA 44 -1.433 -6.648 1.010 355 HB3 ALA 44 HB3 ALA 44 -0.447 -7.606 -0.103 356 H ALA 45 H ALA 45 0.187 -6.405 -2.290 357 HA ALA 45 HA ALA 45 1.302 -3.949 -1.436 358 HB1 ALA 45 HB1 ALA 45 2.675 -5.816 -2.251 359 HB2 ALA 45 HB2 ALA 45 3.007 -4.347 -3.167 360 HB3 ALA 45 HB3 ALA 45 2.010 -5.625 -3.871 361 H GLU 46 H GLU 46 -0.698 -4.845 -4.207 362 HA GLU 46 HA GLU 46 -0.563 -2.533 -5.758 363 HB2 GLU 46 HB2 GLU 46 -2.928 -4.373 -5.200 364 HB3 GLU 46 HB3 GLU 46 -2.954 -3.115 -6.430 365 HG2 GLU 46 HG2 GLU 46 -1.081 -5.492 -6.379 366 HG3 GLU 46 HG3 GLU 46 -2.518 -5.333 -7.386 367 H TYR 47 H TYR 47 -2.626 -3.290 -2.977 368 HA TYR 47 HA TYR 47 -4.057 -0.803 -3.017 369 HB2 TYR 47 HB2 TYR 47 -3.876 -3.029 -0.946 370 HB3 TYR 47 HB3 TYR 47 -4.944 -1.635 -0.802 371 HD1 TYR 47 HD1 TYR 47 -6.461 -1.167 -2.934 372 HD2 TYR 47 HD2 TYR 47 -4.796 -4.967 -1.943 373 HE1 TYR 47 HE1 TYR 47 -8.179 -2.267 -4.289 374 HE2 TYR 47 HE2 TYR 47 -6.516 -6.067 -3.301 375 HH TYR 47 HH TYR 47 -8.514 -4.382 -5.458 376 H PHE 48 H PHE 48 -1.252 -2.013 -1.248 377 HA PHE 48 HA PHE 48 -1.025 0.183 0.564 378 HB2 PHE 48 HB2 PHE 48 1.088 -1.793 -0.408 379 HB3 PHE 48 HB3 PHE 48 1.339 -0.635 0.896 380 HD1 PHE 48 HD1 PHE 48 -1.381 -0.867 2.249 381 HD2 PHE 48 HD2 PHE 48 1.326 -3.853 0.810 382 HE1 PHE 48 HE1 PHE 48 -2.275 -2.453 3.895 383 HE2 PHE 48 HE2 PHE 48 0.421 -5.453 2.458 384 HZ PHE 48 HZ PHE 48 -1.377 -4.759 3.997 385 H PHE 49 H PHE 49 0.077 -0.415 -2.701 386 HA PHE 49 HA PHE 49 1.821 1.854 -2.939 387 HB2 PHE 49 HB2 PHE 49 2.153 -0.090 -4.386 388 HB3 PHE 49 HB3 PHE 49 0.522 0.066 -5.039 389 HD1 PHE 49 HD2 PHE 49 3.516 2.292 -4.553 390 HD2 PHE 49 HD1 PHE 49 0.455 0.952 -7.229 391 HE1 PHE 49 HE2 PHE 49 4.398 3.741 -6.307 392 HE2 PHE 49 HE1 PHE 49 1.361 2.421 -8.987 393 HZ PHE 49 HZ PHE 49 3.351 3.815 -8.527 394 H ARG 50 H ARG 50 -1.470 1.128 -4.049 395 HA ARG 50 HA ARG 50 -1.824 3.621 -5.405 396 HB2 ARG 50 HB2 ARG 50 -3.819 1.437 -4.654 397 HB3 ARG 50 HB3 ARG 50 -4.191 2.810 -5.696 398 HG2 ARG 50 HG2 ARG 50 -2.578 2.060 -7.367 399 HG3 ARG 50 HG3 ARG 50 -2.000 0.791 -6.290 400 HD2 ARG 50 HD2 ARG 50 -4.294 -0.258 -6.420 401 HD3 ARG 50 HD3 ARG 50 -4.707 0.928 -7.664 402 HE ARG 50 HE ARG 50 -2.704 -1.238 -7.887 403 HH11 ARG 50 HH11 ARG 50 -4.557 1.287 -9.497 404 HH12 ARG 50 HH12 ARG 50 -4.128 0.737 -11.089 405 HH21 ARG 50 HH21 ARG 50 -2.097 -1.888 -9.958 406 HH22 ARG 50 HH22 ARG 50 -2.733 -1.060 -11.351 407 H ALA 51 H ALA 51 -2.594 2.398 -2.173 408 HA ALA 51 HA ALA 51 -3.961 4.727 -1.227 409 HB1 ALA 51 HB1 ALA 51 -3.412 3.892 1.031 410 HB2 ALA 51 HB2 ALA 51 -2.319 2.691 0.332 411 HB3 ALA 51 HB3 ALA 51 -4.053 2.606 0.009 412 H ALA 52 H ALA 52 -0.521 3.703 -1.319 413 HA ALA 52 HA ALA 52 0.638 5.887 0.035 414 HB1 ALA 52 HB1 ALA 52 2.768 5.239 -1.009 415 HB2 ALA 52 HB2 ALA 52 1.911 4.201 -2.155 416 HB3 ALA 52 HB3 ALA 52 1.888 3.824 -0.432 417 H ILE 53 H ILE 53 -0.322 5.516 -3.343 418 HA ILE 53 HA ILE 53 0.722 7.909 -4.425 419 HB ILE 53 HB ILE 53 -1.747 6.261 -5.181 420 HG12 ILE 53 HG12 ILE 53 0.928 6.528 -6.632 421 HG13 ILE 53 HG13 ILE 53 0.544 5.213 -5.537 422 HG21 ILE 53 HG21 ILE 53 -1.858 7.505 -7.320 423 HG22 ILE 53 HG22 ILE 53 -0.591 8.595 -6.758 424 HG23 ILE 53 HG23 ILE 53 -2.153 8.569 -5.942 425 HD11 ILE 53 HD11 ILE 53 -0.832 5.830 -8.151 426 HD12 ILE 53 HD12 ILE 53 -1.304 4.545 -7.037 427 HD13 ILE 53 HD13 ILE 53 0.277 4.500 -7.813 428 H VAL 54 H VAL 54 -2.439 7.179 -2.897 429 HA VAL 54 HA VAL 54 -3.628 9.727 -3.151 430 HB VAL 54 HB VAL 54 -4.149 7.646 -0.968 431 HG11 VAL 54 HG11 VAL 54 -5.148 9.819 -0.403 432 HG12 VAL 54 HG12 VAL 54 -6.411 8.660 -0.815 433 HG13 VAL 54 HG13 VAL 54 -5.936 9.895 -1.981 434 HG21 VAL 54 HG21 VAL 54 -4.367 6.665 -3.216 435 HG22 VAL 54 HG22 VAL 54 -5.492 7.938 -3.679 436 HG23 VAL 54 HG23 VAL 54 -5.937 6.780 -2.423 437 H PHE 55 H PHE 55 -1.664 8.296 -0.562 438 HA PHE 55 HA PHE 55 -1.796 10.454 1.288 439 HB2 PHE 55 HB2 PHE 55 0.333 8.281 1.039 440 HB3 PHE 55 HB3 PHE 55 0.081 9.312 2.445 441 HD1 PHE 55 HD1 PHE 55 -3.004 9.177 2.491 442 HD2 PHE 55 HD2 PHE 55 -0.020 6.141 2.068 443 HE1 PHE 55 HE1 PHE 55 -4.547 7.515 3.442 444 HE2 PHE 55 HE2 PHE 55 -1.577 4.488 3.019 445 HZ PHE 55 HZ PHE 55 -3.836 5.173 3.706 446 H TYR 56 H TYR 56 0.493 9.570 -1.263 447 HA TYR 56 HA TYR 56 2.507 11.489 -0.704 448 HB2 TYR 56 HB2 TYR 56 3.058 9.544 -2.027 449 HB3 TYR 56 HB3 TYR 56 1.807 9.906 -3.216 450 HD1 TYR 56 HD2 TYR 56 4.715 11.760 -1.680 451 HD2 TYR 56 HD1 TYR 56 2.698 10.605 -5.267 452 HE1 TYR 56 HE2 TYR 56 6.357 12.989 -3.004 453 HE2 TYR 56 HE1 TYR 56 4.340 11.844 -6.588 454 HH TYR 56 HH TYR 56 7.242 13.047 -5.263 455 H LYS 57 H LYS 57 -0.119 11.490 -3.115 456 HA LYS 57 HA LYS 57 0.181 14.018 -4.215 457 HB2 LYS 57 HB2 LYS 57 -2.136 12.127 -3.893 458 HB3 LYS 57 HB3 LYS 57 -2.554 13.794 -4.269 459 HG2 LYS 57 HG2 LYS 57 -2.451 12.445 -6.285 460 HG3 LYS 57 HG3 LYS 57 -1.208 13.696 -6.308 461 HD2 LYS 57 HD2 LYS 57 0.473 11.978 -5.594 462 HD3 LYS 57 HD3 LYS 57 -0.790 10.744 -5.692 463 HE2 LYS 57 HE2 LYS 57 0.588 10.721 -7.705 464 HE3 LYS 57 HE3 LYS 57 -1.052 11.227 -8.111 465 HZ1 LYS 57 HZ1 LYS 57 1.302 13.003 -7.756 466 HZ2 LYS 57 HZ2 LYS 57 -0.265 13.537 -8.085 467 HZ3 LYS 57 HZ3 LYS 57 0.564 12.606 -9.224 468 H GLU 58 H GLU 58 -1.322 13.049 -1.184 469 HA GLU 58 HA GLU 58 -2.278 15.735 -0.610 470 HB2 GLU 58 HB2 GLU 58 -3.566 13.598 -0.116 471 HB3 GLU 58 HB3 GLU 58 -2.409 13.263 1.171 472 HG2 GLU 58 HG2 GLU 58 -4.424 14.253 2.073 473 HG3 GLU 58 HG3 GLU 58 -3.067 15.353 2.292 474 H HIS 59 H HIS 59 0.557 13.997 -0.185 475 HA HIS 59 HA HIS 59 2.562 14.418 0.671 476 HB2 HIS 59 HB2 HIS 59 1.370 17.135 1.324 477 HB3 HIS 59 HB3 HIS 59 3.063 16.737 1.619 478 HD1 HIS 59 HD1 HIS 59 4.512 16.149 -0.526 479 HD2 HIS 59 HD2 HIS 59 0.776 17.777 -1.301 480 HE1 HIS 59 HE1 HIS 59 4.590 16.892 -2.919 481 HE2 HIS 59 HE2 HIS 59 2.249 17.661 -3.415 482 H ASP 60 H ASP 60 0.664 13.028 2.222 483 HA ASP 60 HA ASP 60 1.310 13.455 5.008 484 HB2 ASP 60 HB2 ASP 60 0.092 11.074 3.507 485 HB3 ASP 60 HB3 ASP 60 0.346 11.094 5.250 486 H THR 61 H THR 61 3.531 13.336 5.372 487 HA THR 61 HA THR 61 5.325 11.486 4.220 488 HB THR 61 HB THR 61 6.666 11.955 6.467 489 HG1 THR 61 HG1 THR 61 5.264 14.311 6.693 490 HG21 THR 61 HG21 THR 61 7.306 12.912 4.314 491 HG22 THR 61 HG22 THR 61 7.467 14.107 5.604 492 HG23 THR 61 HG23 THR 61 6.094 14.188 4.499 493 H ASP 62 H ASP 62 3.531 11.375 7.295 494 HA ASP 62 HA ASP 62 4.561 8.862 8.160 495 HB2 ASP 62 HB2 ASP 62 3.634 10.533 9.742 496 HB3 ASP 62 HB3 ASP 62 2.028 10.316 9.053 497 H GLY 63 H GLY 63 1.612 9.818 6.402 498 HA2 GLY 63 HA2 GLY 63 0.327 7.293 6.300 499 HA3 GLY 63 HA3 GLY 63 0.093 8.615 5.162 500 H LEU 64 H LEU 64 2.399 8.924 3.936 501 HA LEU 64 HA LEU 64 2.611 6.901 2.003 502 HB2 LEU 64 HB2 LEU 64 3.207 9.239 1.591 503 HB3 LEU 64 HB3 LEU 64 4.497 9.154 2.778 504 HG LEU 64 HG LEU 64 5.751 7.596 1.288 505 HD11 LEU 64 HD11 LEU 64 3.903 6.561 0.064 506 HD12 LEU 64 HD12 LEU 64 5.074 7.271 -1.044 507 HD13 LEU 64 HD13 LEU 64 3.545 8.097 -0.735 508 HD21 LEU 64 HD21 LEU 64 4.962 10.207 -0.039 509 HD22 LEU 64 HD22 LEU 64 6.420 9.262 -0.364 510 HD23 LEU 64 HD23 LEU 64 6.191 10.002 1.214 511 H ARG 65 H ARG 65 4.541 7.617 4.863 512 HA ARG 65 HA ARG 65 6.620 5.731 4.606 513 HB2 ARG 65 HB2 ARG 65 6.860 7.513 6.192 514 HB3 ARG 65 HB3 ARG 65 5.332 7.139 6.974 515 HG2 ARG 65 HG2 ARG 65 6.406 4.980 7.789 516 HG3 ARG 65 HG3 ARG 65 7.944 5.609 7.199 517 HD2 ARG 65 HD2 ARG 65 7.900 7.431 8.756 518 HD3 ARG 65 HD3 ARG 65 6.204 7.140 9.162 519 HE ARG 65 HE ARG 65 8.402 5.274 9.867 520 HH11 ARG 65 HH11 ARG 65 5.422 6.919 10.757 521 HH12 ARG 65 HH12 ARG 65 5.342 6.155 12.314 522 HH21 ARG 65 HH21 ARG 65 8.242 4.255 11.892 523 HH22 ARG 65 HH22 ARG 65 6.930 4.649 12.956 524 H ARG 66 H ARG 66 3.445 5.548 6.200 525 HA ARG 66 HA ARG 66 3.824 2.982 7.359 526 HB2 ARG 66 HB2 ARG 66 1.835 5.041 7.494 527 HB3 ARG 66 HB3 ARG 66 0.971 3.621 6.933 528 HG2 ARG 66 HG2 ARG 66 2.643 3.793 9.466 529 HG3 ARG 66 HG3 ARG 66 0.884 3.846 9.382 530 HD2 ARG 66 HD2 ARG 66 0.798 1.560 8.552 531 HD3 ARG 66 HD3 ARG 66 2.561 1.487 8.464 532 HE ARG 66 HE ARG 66 2.143 2.042 11.066 533 HH11 ARG 66 HH11 ARG 66 0.845 -0.459 8.956 534 HH12 ARG 66 HH12 ARG 66 0.652 -1.603 10.241 535 HH21 ARG 66 HH21 ARG 66 1.870 0.532 12.738 536 HH22 ARG 66 HH22 ARG 66 1.231 -1.041 12.381 537 H ALA 67 H ALA 67 2.269 4.119 4.394 538 HA ALA 67 HA ALA 67 1.264 1.603 3.510 539 HB1 ALA 67 HB1 ALA 67 1.782 4.152 1.941 540 HB2 ALA 67 HB2 ALA 67 0.296 3.744 2.798 541 HB3 ALA 67 HB3 ALA 67 0.798 2.781 1.410 542 H ALA 68 H ALA 68 4.276 3.388 2.953 543 HA ALA 68 HA ALA 68 5.307 1.728 0.849 544 HB1 ALA 68 HB1 ALA 68 6.054 4.070 1.148 545 HB2 ALA 68 HB2 ALA 68 7.416 2.951 1.176 546 HB3 ALA 68 HB3 ALA 68 6.808 3.641 2.686 547 H LYS 69 H LYS 69 5.681 1.842 4.358 548 HA LYS 69 HA LYS 69 7.785 -0.094 4.556 549 HB2 LYS 69 HB2 LYS 69 7.200 1.718 6.253 550 HB3 LYS 69 HB3 LYS 69 5.840 0.718 6.758 551 HG2 LYS 69 HG2 LYS 69 7.238 -0.951 7.660 552 HG3 LYS 69 HG3 LYS 69 8.638 -0.425 6.720 553 HD2 LYS 69 HD2 LYS 69 8.671 1.698 8.101 554 HD3 LYS 69 HD3 LYS 69 7.411 0.990 9.117 555 HE2 LYS 69 HE2 LYS 69 8.877 -0.784 9.826 556 HE3 LYS 69 HE3 LYS 69 10.087 -0.334 8.616 557 HZ1 LYS 69 HZ1 LYS 69 9.263 1.378 10.906 558 HZ2 LYS 69 HZ2 LYS 69 10.474 1.727 9.783 559 HZ3 LYS 69 HZ3 LYS 69 10.661 0.435 10.848 560 H SER 70 H SER 70 4.252 -0.212 4.910 561 HA SER 70 HA SER 70 4.004 -3.006 5.411 562 HB2 SER 70 HB2 SER 70 1.989 -1.062 4.196 563 HB3 SER 70 HB3 SER 70 1.613 -2.650 4.873 564 HG SER 70 HG SER 70 1.797 -0.342 6.150 565 H LEU 71 H LEU 71 4.255 -1.067 2.502 566 HA LEU 71 HA LEU 71 3.573 -2.964 0.536 567 HB2 LEU 71 HB2 LEU 71 4.320 -0.303 0.527 568 HB3 LEU 71 HB3 LEU 71 5.752 -1.033 -0.164 569 HG LEU 71 HG LEU 71 2.924 -1.331 -1.277 570 HD11 LEU 71 HD11 LEU 71 3.678 0.955 -1.472 571 HD12 LEU 71 HD12 LEU 71 3.677 0.191 -3.057 572 HD13 LEU 71 HD13 LEU 71 5.201 0.440 -2.200 573 HD21 LEU 71 HD21 LEU 71 5.577 -2.189 -2.478 574 HD22 LEU 71 HD22 LEU 71 4.010 -2.253 -3.288 575 HD23 LEU 71 HD23 LEU 71 4.309 -3.255 -1.869 576 H LYS 72 H LYS 72 6.664 -2.163 2.138 577 HA LYS 72 HA LYS 72 8.322 -4.030 0.788 578 HB2 LYS 72 HB2 LYS 72 8.633 -2.740 3.533 579 HB3 LYS 72 HB3 LYS 72 9.899 -3.655 2.725 580 HG2 LYS 72 HG2 LYS 72 8.656 -1.110 1.644 581 HG3 LYS 72 HG3 LYS 72 10.168 -1.183 2.549 582 HD2 LYS 72 HD2 LYS 72 11.139 -2.630 0.767 583 HD3 LYS 72 HD3 LYS 72 9.628 -2.500 -0.141 584 HE2 LYS 72 HE2 LYS 72 9.956 -0.064 -0.352 585 HE3 LYS 72 HE3 LYS 72 11.452 -0.178 0.581 586 HZ1 LYS 72 HZ1 LYS 72 11.827 -0.107 -1.836 587 HZ2 LYS 72 HZ2 LYS 72 10.982 -1.559 -2.013 588 HZ3 LYS 72 HZ3 LYS 72 12.429 -1.528 -1.142 589 H GLU 73 H GLU 73 6.442 -4.247 3.810 590 HA GLU 73 HA GLU 73 7.194 -6.845 4.634 591 HB2 GLU 73 HB2 GLU 73 4.523 -5.437 5.045 592 HB3 GLU 73 HB3 GLU 73 5.063 -6.855 5.933 593 HG2 GLU 73 HG2 GLU 73 6.328 -4.107 6.016 594 HG3 GLU 73 HG3 GLU 73 5.309 -4.813 7.261 595 H ALA 74 H ALA 74 4.852 -5.708 2.272 596 HA ALA 74 HA ALA 74 3.695 -8.251 1.675 597 HB1 ALA 74 HB1 ALA 74 2.534 -6.147 1.177 598 HB2 ALA 74 HB2 ALA 74 2.739 -7.119 -0.280 599 HB3 ALA 74 HB3 ALA 74 3.772 -5.715 -0.001 600 H ILE 75 H ILE 75 6.447 -6.371 0.291 601 HA ILE 75 HA ILE 75 6.860 -7.891 -2.048 602 HB ILE 75 HB ILE 75 9.072 -6.427 -0.524 603 HG12 ILE 75 HG12 ILE 75 7.287 -4.840 -0.889 604 HG13 ILE 75 HG13 ILE 75 8.568 -4.479 -2.028 605 HG21 ILE 75 HG21 ILE 75 8.864 -7.138 -3.485 606 HG22 ILE 75 HG22 ILE 75 9.944 -7.887 -2.308 607 HG23 ILE 75 HG23 ILE 75 10.158 -6.192 -2.745 608 HD11 ILE 75 HD11 ILE 75 6.445 -4.232 -3.084 609 HD12 ILE 75 HD12 ILE 75 5.956 -5.860 -2.626 610 HD13 ILE 75 HD13 ILE 75 7.265 -5.623 -3.790 611 H THR 76 H THR 76 8.278 -8.211 1.177 612 HA THR 76 HA THR 76 10.075 -10.339 0.572 613 HB THR 76 HB THR 76 10.114 -10.596 3.139 614 HG1 THR 76 HG1 THR 76 8.619 -8.174 3.120 615 HG21 THR 76 HG21 THR 76 11.289 -8.457 3.499 616 HG22 THR 76 HG22 THR 76 10.611 -7.820 2.000 617 HG23 THR 76 HG23 THR 76 11.750 -9.169 1.950 618 H ALA 77 H ALA 77 6.672 -10.311 1.029 619 HA ALA 77 HA ALA 77 6.533 -13.240 1.432 620 HB1 ALA 77 HB1 ALA 77 4.161 -12.873 1.976 621 HB2 ALA 77 HB2 ALA 77 4.338 -11.148 1.635 622 HB3 ALA 77 HB3 ALA 77 5.206 -11.875 2.987 623 H ILE 78 H ILE 78 6.290 -10.864 -1.039 624 HA ILE 78 HA ILE 78 4.583 -12.255 -2.879 625 HB ILE 78 HB ILE 78 6.669 -10.063 -3.332 626 HG12 ILE 78 HG12 ILE 78 3.626 -9.947 -3.437 627 HG13 ILE 78 HG13 ILE 78 4.598 -9.449 -2.062 628 HG21 ILE 78 HG21 ILE 78 6.497 -11.344 -5.429 629 HG22 ILE 78 HG22 ILE 78 5.746 -9.762 -5.629 630 HG23 ILE 78 HG23 ILE 78 4.742 -11.197 -5.403 631 HD11 ILE 78 HD11 ILE 78 4.609 -8.193 -4.794 632 HD12 ILE 78 HD12 ILE 78 5.628 -7.708 -3.436 633 HD13 ILE 78 HD13 ILE 78 3.877 -7.551 -3.324 634 HA PRO 79 HA PRO 79 7.617 -15.432 -4.146 635 HB2 PRO 79 HB2 PRO 79 6.388 -16.132 -6.548 636 HB3 PRO 79 HB3 PRO 79 5.873 -16.742 -4.962 637 HG2 PRO 79 HG2 PRO 79 4.739 -14.468 -6.556 638 HG3 PRO 79 HG3 PRO 79 3.886 -15.765 -5.686 639 HD2 PRO 79 HD2 PRO 79 4.112 -13.316 -4.614 640 HD3 PRO 79 HD3 PRO 79 4.235 -14.769 -3.591 641 H GLU 80 H GLU 80 9.212 -15.664 -5.824 642 HA GLU 80 HA GLU 80 10.269 -13.119 -6.556 643 HB2 GLU 80 HB2 GLU 80 11.621 -14.989 -5.654 644 HB3 GLU 80 HB3 GLU 80 11.320 -15.912 -7.121 645 HG2 GLU 80 HG2 GLU 80 13.578 -14.903 -7.071 646 HG3 GLU 80 HG3 GLU 80 12.612 -14.357 -8.434 647 H GLU 81 H GLU 81 7.987 -14.911 -8.213 648 HA GLU 81 HA GLU 81 8.746 -13.684 -10.802 649 HB2 GLU 81 HB2 GLU 81 7.105 -16.211 -10.374 650 HB3 GLU 81 HB3 GLU 81 7.466 -15.466 -11.931 651 HG2 GLU 81 HG2 GLU 81 9.917 -15.848 -11.476 652 HG3 GLU 81 HG3 GLU 81 9.449 -16.713 -10.013 653 H GLU 82 H GLU 82 5.769 -14.804 -9.069 654 HA GLU 82 HA GLU 82 4.003 -13.411 -10.764 655 HB2 GLU 82 HB2 GLU 82 3.564 -14.621 -8.027 656 HB3 GLU 82 HB3 GLU 82 2.266 -13.910 -8.975 657 HG2 GLU 82 HG2 GLU 82 3.968 -16.286 -9.773 658 HG3 GLU 82 HG3 GLU 82 2.294 -16.340 -9.223 659 H GLY 83 H GLY 83 4.261 -11.268 -10.991 660 HA2 GLY 83 HA2 GLY 83 4.023 -9.051 -10.582 661 HA3 GLY 83 HA3 GLY 83 3.164 -9.486 -9.122 662 H ARG 84 H ARG 84 6.351 -10.718 -9.371 663 HA ARG 84 HA ARG 84 7.442 -9.083 -7.290 664 HB2 ARG 84 HB2 ARG 84 8.118 -11.458 -7.763 665 HB3 ARG 84 HB3 ARG 84 8.827 -10.934 -9.282 666 HG2 ARG 84 HG2 ARG 84 10.620 -11.200 -7.757 667 HG3 ARG 84 HG3 ARG 84 10.394 -9.460 -7.935 668 HD2 ARG 84 HD2 ARG 84 9.369 -9.283 -5.776 669 HD3 ARG 84 HD3 ARG 84 9.185 -11.040 -5.636 670 HE ARG 84 HE ARG 84 11.917 -10.417 -5.954 671 HH11 ARG 84 HH11 ARG 84 9.401 -10.178 -3.493 672 HH12 ARG 84 HH12 ARG 84 10.532 -10.235 -2.184 673 HH21 ARG 84 HH21 ARG 84 13.356 -10.534 -4.226 674 HH22 ARG 84 HH22 ARG 84 12.767 -10.440 -2.594 675 H LYS 85 H LYS 85 8.209 -9.497 -10.765 676 HA LYS 85 HA LYS 85 9.452 -6.904 -11.071 677 HB2 LYS 85 HB2 LYS 85 10.042 -8.892 -12.480 678 HB3 LYS 85 HB3 LYS 85 8.430 -8.862 -13.190 679 HG2 LYS 85 HG2 LYS 85 8.918 -6.591 -14.119 680 HG3 LYS 85 HG3 LYS 85 10.553 -6.694 -13.460 681 HD2 LYS 85 HD2 LYS 85 9.362 -8.574 -15.538 682 HD3 LYS 85 HD3 LYS 85 10.493 -7.264 -15.871 683 HE2 LYS 85 HE2 LYS 85 12.212 -8.388 -14.512 684 HE3 LYS 85 HE3 LYS 85 11.078 -9.687 -14.136 685 HZ1 LYS 85 HZ1 LYS 85 11.011 -10.284 -16.456 686 HZ2 LYS 85 HZ2 LYS 85 12.617 -10.270 -15.928 687 HZ3 LYS 85 HZ3 LYS 85 12.025 -8.995 -16.863 688 H GLU 86 H GLU 86 7.666 -5.835 -10.002 689 HA GLU 86 HA GLU 86 5.881 -4.388 -11.508 690 HB2 GLU 86 HB2 GLU 86 4.648 -6.524 -11.895 691 HB3 GLU 86 HB3 GLU 86 4.521 -6.778 -10.161 692 HG2 GLU 86 HG2 GLU 86 2.409 -5.997 -11.139 693 HG3 GLU 86 HG3 GLU 86 3.035 -4.866 -9.944 694 H ALA 87 H ALA 87 5.257 -6.121 -8.444 695 HA ALA 87 HA ALA 87 4.445 -3.735 -7.110 696 HB1 ALA 87 HB1 ALA 87 3.375 -5.902 -6.693 697 HB2 ALA 87 HB2 ALA 87 4.016 -5.208 -5.202 698 HB3 ALA 87 HB3 ALA 87 4.877 -6.523 -6.006 699 H LYS 88 H LYS 88 7.418 -5.585 -7.212 700 HA LYS 88 HA LYS 88 8.708 -4.601 -4.880 701 HB2 LYS 88 HB2 LYS 88 9.303 -6.638 -6.274 702 HB3 LYS 88 HB3 LYS 88 9.978 -5.570 -7.484 703 HG2 LYS 88 HG2 LYS 88 11.021 -5.597 -4.644 704 HG3 LYS 88 HG3 LYS 88 11.567 -6.773 -5.840 705 HD2 LYS 88 HD2 LYS 88 12.266 -4.826 -7.306 706 HD3 LYS 88 HD3 LYS 88 11.894 -3.754 -5.949 707 HE2 LYS 88 HE2 LYS 88 14.255 -4.200 -5.933 708 HE3 LYS 88 HE3 LYS 88 13.547 -5.047 -4.565 709 HZ1 LYS 88 HZ1 LYS 88 15.122 -6.447 -5.688 710 HZ2 LYS 88 HZ2 LYS 88 14.335 -6.246 -7.169 711 HZ3 LYS 88 HZ3 LYS 88 13.573 -7.084 -5.916 712 H GLU 89 H GLU 89 8.554 -3.506 -8.220 713 HA GLU 89 HA GLU 89 10.260 -1.220 -7.947 714 HB2 GLU 89 HB2 GLU 89 8.270 -2.064 -10.094 715 HB3 GLU 89 HB3 GLU 89 9.189 -0.563 -10.192 716 HG2 GLU 89 HG2 GLU 89 10.240 -2.281 -11.543 717 HG3 GLU 89 HG3 GLU 89 11.295 -1.835 -10.206 718 H MET 90 H MET 90 6.790 -1.812 -7.583 719 HA MET 90 HA MET 90 5.948 0.902 -7.294 720 HB2 MET 90 HB2 MET 90 4.701 -1.628 -6.130 721 HB3 MET 90 HB3 MET 90 3.930 -0.050 -6.173 722 HG2 MET 90 HG2 MET 90 4.184 -0.189 -8.728 723 HG3 MET 90 HG3 MET 90 4.533 -1.896 -8.468 724 HE1 MET 90 HE1 MET 90 2.483 -2.024 -5.708 725 HE2 MET 90 HE2 MET 90 2.709 -3.387 -6.803 726 HE3 MET 90 HE3 MET 90 1.091 -2.788 -6.471 727 H ALA 91 H ALA 91 7.227 -1.493 -5.052 728 HA ALA 91 HA ALA 91 6.945 -0.047 -2.625 729 HB1 ALA 91 HB1 ALA 91 7.408 -2.457 -2.680 730 HB2 ALA 91 HB2 ALA 91 8.636 -1.611 -1.737 731 HB3 ALA 91 HB3 ALA 91 8.994 -2.152 -3.381 732 H LYS 92 H LYS 92 9.392 -0.155 -5.149 733 HA LYS 92 HA LYS 92 11.252 1.599 -3.897 734 HB2 LYS 92 HB2 LYS 92 11.015 0.237 -6.521 735 HB3 LYS 92 HB3 LYS 92 11.727 1.837 -6.672 736 HG2 LYS 92 HG2 LYS 92 12.741 -0.397 -4.884 737 HG3 LYS 92 HG3 LYS 92 13.454 0.124 -6.414 738 HD2 LYS 92 HD2 LYS 92 13.915 2.364 -5.433 739 HD3 LYS 92 HD3 LYS 92 13.220 1.832 -3.901 740 HE2 LYS 92 HE2 LYS 92 14.993 0.134 -3.678 741 HE3 LYS 92 HE3 LYS 92 15.683 0.645 -5.223 742 HZ1 LYS 92 HZ1 LYS 92 16.843 1.626 -3.342 743 HZ2 LYS 92 HZ2 LYS 92 15.417 2.360 -2.808 744 HZ3 LYS 92 HZ3 LYS 92 16.106 2.826 -4.280 745 H LYS 93 H LYS 93 8.479 2.120 -6.072 746 HA LYS 93 HA LYS 93 8.870 4.823 -6.696 747 HB2 LYS 93 HB2 LYS 93 6.290 3.246 -6.336 748 HB3 LYS 93 HB3 LYS 93 6.299 4.905 -6.895 749 HG2 LYS 93 HG2 LYS 93 7.763 2.720 -8.386 750 HG3 LYS 93 HG3 LYS 93 6.048 3.037 -8.635 751 HD2 LYS 93 HD2 LYS 93 7.124 4.242 -10.362 752 HD3 LYS 93 HD3 LYS 93 6.732 5.473 -9.168 753 HE2 LYS 93 HE2 LYS 93 9.040 5.376 -8.332 754 HE3 LYS 93 HE3 LYS 93 9.439 4.161 -9.543 755 HZ1 LYS 93 HZ1 LYS 93 8.628 6.971 -10.041 756 HZ2 LYS 93 HZ2 LYS 93 8.853 5.820 -11.251 757 HZ3 LYS 93 HZ3 LYS 93 10.158 6.298 -10.293 758 H ALA 94 H ALA 94 6.958 3.381 -4.060 759 HA ALA 94 HA ALA 94 6.227 5.757 -2.734 760 HB1 ALA 94 HB1 ALA 94 5.073 3.596 -2.436 761 HB2 ALA 94 HB2 ALA 94 5.569 4.277 -0.884 762 HB3 ALA 94 HB3 ALA 94 6.486 2.951 -1.603 763 H GLU 95 H GLU 95 9.105 3.785 -2.556 764 HA GLU 95 HA GLU 95 10.238 4.879 -0.172 765 HB2 GLU 95 HB2 GLU 95 10.722 2.625 -1.282 766 HB3 GLU 95 HB3 GLU 95 11.682 3.484 -2.468 767 HG2 GLU 95 HG2 GLU 95 12.301 3.695 0.484 768 HG3 GLU 95 HG3 GLU 95 12.859 2.317 -0.455 769 H GLU 96 H GLU 96 10.674 5.570 -3.670 770 HA GLU 96 HA GLU 96 12.645 7.600 -3.486 771 HB2 GLU 96 HB2 GLU 96 10.473 7.275 -5.615 772 HB3 GLU 96 HB3 GLU 96 11.911 8.269 -5.776 773 HG2 GLU 96 HG2 GLU 96 11.880 5.267 -5.513 774 HG3 GLU 96 HG3 GLU 96 12.043 6.148 -7.019 775 H TRP 97 H TRP 97 9.111 7.687 -3.498 776 HA TRP 97 HA TRP 97 8.703 10.467 -3.558 777 HB2 TRP 97 HB2 TRP 97 6.987 8.249 -2.361 778 HB3 TRP 97 HB3 TRP 97 6.439 9.910 -2.587 779 HD1 TRP 97 HD1 TRP 97 8.045 9.872 -5.629 780 HE1 TRP 97 HE1 TRP 97 6.706 8.825 -7.549 781 HE3 TRP 97 HE3 TRP 97 4.566 7.275 -2.909 782 HZ2 TRP 97 HZ2 TRP 97 4.483 7.127 -7.887 783 HZ3 TRP 97 HZ3 TRP 97 2.858 5.979 -4.112 784 HH2 TRP 97 HH2 TRP 97 2.825 5.916 -6.553 785 H LEU 98 H LEU 98 9.011 8.176 -0.877 786 HA LEU 98 HA LEU 98 8.576 9.902 1.283 787 HB2 LEU 98 HB2 LEU 98 8.581 7.388 1.357 788 HB3 LEU 98 HB3 LEU 98 10.331 7.418 1.211 789 HG LEU 98 HG LEU 98 10.451 8.646 3.412 790 HD11 LEU 98 HD11 LEU 98 8.489 8.719 4.876 791 HD12 LEU 98 HD12 LEU 98 7.472 8.074 3.586 792 HD13 LEU 98 HD13 LEU 98 8.216 9.668 3.415 793 HD21 LEU 98 HD21 LEU 98 10.779 6.215 3.312 794 HD22 LEU 98 HD22 LEU 98 9.046 5.956 3.513 795 HD23 LEU 98 HD23 LEU 98 9.986 6.685 4.816 796 H GLN 99 H GLN 99 11.500 9.230 -0.597 797 HA GLN 99 HA GLN 99 13.421 10.544 1.035 798 HB2 GLN 99 HB2 GLN 99 13.436 10.265 -2.005 799 HB3 GLN 99 HB3 GLN 99 14.830 10.677 -1.007 800 HG2 GLN 99 HG2 GLN 99 14.841 8.458 -0.017 801 HG3 GLN 99 HG3 GLN 99 13.335 8.048 -0.846 802 HE21 GLN 99 HE21 GLN 99 14.154 6.359 -2.049 803 HE22 GLN 99 HE22 GLN 99 15.304 6.570 -3.317 804 H ALA 100 H ALA 100 11.489 11.671 -1.739 805 HA ALA 100 HA ALA 100 12.504 14.332 -1.789 806 HB1 ALA 100 HB1 ALA 100 10.673 14.788 -3.364 807 HB2 ALA 100 HB2 ALA 100 9.921 13.240 -2.955 808 HB3 ALA 100 HB3 ALA 100 11.493 13.277 -3.755 809 H GLU 101 H GLU 101 9.877 12.799 -0.058 810 HA GLU 101 HA GLU 101 8.516 15.164 0.812 811 HB2 GLU 101 HB2 GLU 101 8.446 12.278 1.765 812 HB3 GLU 101 HB3 GLU 101 7.449 13.532 2.484 813 HG2 GLU 101 HG2 GLU 101 7.345 12.636 -0.407 814 HG3 GLU 101 HG3 GLU 101 6.198 12.197 0.855 815 H GLN 102 H GLN 102 11.457 13.724 1.826 816 HA GLN 102 HA GLN 102 11.855 15.791 3.791 817 HB2 GLN 102 HB2 GLN 102 12.470 14.194 5.661 818 HB3 GLN 102 HB3 GLN 102 10.753 14.249 5.279 819 HG2 GLN 102 HG2 GLN 102 11.111 12.148 3.875 820 HG3 GLN 102 HG3 GLN 102 12.715 12.044 4.596 821 HE21 GLN 102 HE21 GLN 102 9.298 11.748 5.161 822 HE22 GLN 102 HE22 GLN 102 9.410 11.002 6.713 823 H ASN 103 H ASN 103 13.324 16.270 2.053 824 HA ASN 103 HA ASN 103 15.760 14.562 1.918 825 HB2 ASN 103 HB2 ASN 103 14.435 14.828 -0.230 826 HB3 ASN 103 HB3 ASN 103 14.734 16.565 -0.164 827 HD21 ASN 103 HD21 ASN 103 15.951 16.683 -2.036 828 HD22 ASN 103 HD22 ASN 103 17.494 15.928 -2.242 829 H ASN 104 H ASN 104 17.765 15.540 2.186 830 HA ASN 104 HA ASN 104 17.877 18.215 3.352 831 HB2 ASN 104 HB2 ASN 104 20.111 16.179 2.868 832 HB3 ASN 104 HB3 ASN 104 20.317 17.719 3.691 833 HD21 ASN 104 HD21 ASN 104 19.203 14.467 3.997 834 HD22 ASN 104 HD22 ASN 104 18.810 14.541 5.677 Start of MODEL 12 1 H1 ALA 1 H1 ALA 1 -12.229 -15.200 5.829 2 H2 ALA 1 H2 ALA 1 -12.823 -13.642 6.092 3 H3 ALA 1 H3 ALA 1 -11.254 -13.858 5.512 4 HA ALA 1 HA ALA 1 -12.072 -14.792 3.477 5 HB1 ALA 1 HB1 ALA 1 -14.120 -15.809 4.373 6 HB2 ALA 1 HB2 ALA 1 -14.495 -14.783 2.986 7 HB3 ALA 1 HB3 ALA 1 -14.824 -14.211 4.625 8 H ASP 2 H ASP 2 -13.476 -13.382 1.806 9 HA ASP 2 HA ASP 2 -12.253 -10.765 1.775 10 HB2 ASP 2 HB2 ASP 2 -13.231 -10.613 -0.507 11 HB3 ASP 2 HB3 ASP 2 -12.376 -12.139 -0.276 12 H GLU 3 H GLU 3 -14.772 -11.584 3.550 13 HA GLU 3 HA GLU 3 -17.036 -10.107 3.029 14 HB2 GLU 3 HB2 GLU 3 -16.845 -11.711 4.874 15 HB3 GLU 3 HB3 GLU 3 -15.650 -10.700 5.680 16 HG2 GLU 3 HG2 GLU 3 -17.421 -8.931 5.929 17 HG3 GLU 3 HG3 GLU 3 -18.593 -10.080 5.284 18 H ASN 4 H ASN 4 -14.085 -9.058 4.712 19 HA ASN 4 HA ASN 4 -14.999 -6.433 5.348 20 HB2 ASN 4 HB2 ASN 4 -12.125 -7.433 5.207 21 HB3 ASN 4 HB3 ASN 4 -12.696 -6.004 6.071 22 HD21 ASN 4 HD21 ASN 4 -13.885 -6.298 8.028 23 HD22 ASN 4 HD22 ASN 4 -13.856 -7.803 8.877 24 H ILE 5 H ILE 5 -13.066 -7.808 2.735 25 HA ILE 5 HA ILE 5 -12.133 -5.529 1.415 26 HB ILE 5 HB ILE 5 -12.928 -8.254 0.279 27 HG12 ILE 5 HG12 ILE 5 -10.205 -7.140 1.096 28 HG13 ILE 5 HG13 ILE 5 -11.126 -8.364 1.963 29 HG21 ILE 5 HG21 ILE 5 -11.331 -6.075 -1.100 30 HG22 ILE 5 HG22 ILE 5 -12.927 -6.660 -1.566 31 HG23 ILE 5 HG23 ILE 5 -11.525 -7.722 -1.703 32 HD11 ILE 5 HD11 ILE 5 -9.819 -8.650 -0.741 33 HD12 ILE 5 HD12 ILE 5 -10.860 -9.870 -0.002 34 HD13 ILE 5 HD13 ILE 5 -9.344 -9.414 0.773 35 H ALA 6 H ALA 6 -15.179 -7.319 1.016 36 HA ALA 6 HA ALA 6 -16.318 -5.997 -1.149 37 HB1 ALA 6 HB1 ALA 6 -17.201 -8.096 -0.217 38 HB2 ALA 6 HB2 ALA 6 -18.475 -6.879 -0.331 39 HB3 ALA 6 HB3 ALA 6 -17.737 -7.242 1.232 40 H LYS 7 H LYS 7 -16.402 -5.178 2.300 41 HA LYS 7 HA LYS 7 -18.218 -3.003 2.171 42 HB2 LYS 7 HB2 LYS 7 -17.752 -4.080 4.312 43 HB3 LYS 7 HB3 LYS 7 -16.039 -3.692 4.189 44 HG2 LYS 7 HG2 LYS 7 -16.627 -1.254 4.325 45 HG3 LYS 7 HG3 LYS 7 -18.313 -1.710 4.590 46 HD2 LYS 7 HD2 LYS 7 -17.715 -2.827 6.696 47 HD3 LYS 7 HD3 LYS 7 -15.997 -2.529 6.401 48 HE2 LYS 7 HE2 LYS 7 -16.400 -0.090 6.529 49 HE3 LYS 7 HE3 LYS 7 -18.113 -0.386 6.831 50 HZ1 LYS 7 HZ1 LYS 7 -16.858 0.079 8.857 51 HZ2 LYS 7 HZ2 LYS 7 -15.894 -1.284 8.596 52 HZ3 LYS 7 HZ3 LYS 7 -17.547 -1.463 8.895 53 H PHE 8 H PHE 8 -14.642 -3.166 2.067 54 HA PHE 8 HA PHE 8 -14.203 -0.348 2.179 55 HB2 PHE 8 HB2 PHE 8 -12.310 -2.520 1.202 56 HB3 PHE 8 HB3 PHE 8 -11.843 -0.875 1.619 57 HD1 PHE 8 HD1 PHE 8 -13.152 -0.353 4.164 58 HD2 PHE 8 HD2 PHE 8 -11.336 -3.974 2.772 59 HE1 PHE 8 HE1 PHE 8 -12.734 -1.049 6.483 60 HE2 PHE 8 HE2 PHE 8 -10.936 -4.663 5.099 61 HZ PHE 8 HZ PHE 8 -11.636 -3.203 6.956 62 H GLU 9 H GLU 9 -14.726 -2.579 -0.478 63 HA GLU 9 HA GLU 9 -13.885 -0.831 -2.607 64 HB2 GLU 9 HB2 GLU 9 -15.718 -3.270 -2.656 65 HB3 GLU 9 HB3 GLU 9 -15.095 -2.450 -4.090 66 HG2 GLU 9 HG2 GLU 9 -12.806 -3.027 -3.478 67 HG3 GLU 9 HG3 GLU 9 -13.363 -3.766 -1.976 68 H LYS 10 H LYS 10 -16.985 -1.561 -1.043 69 HA LYS 10 HA LYS 10 -18.611 0.141 -2.682 70 HB2 LYS 10 HB2 LYS 10 -19.084 -0.985 0.117 71 HB3 LYS 10 HB3 LYS 10 -20.310 -0.143 -0.833 72 HG2 LYS 10 HG2 LYS 10 -20.222 -1.887 -2.553 73 HG3 LYS 10 HG3 LYS 10 -18.937 -2.721 -1.668 74 HD2 LYS 10 HD2 LYS 10 -20.506 -3.064 0.241 75 HD3 LYS 10 HD3 LYS 10 -21.788 -2.276 -0.684 76 HE2 LYS 10 HE2 LYS 10 -21.641 -4.052 -2.394 77 HE3 LYS 10 HE3 LYS 10 -20.352 -4.834 -1.474 78 HZ1 LYS 10 HZ1 LYS 10 -22.434 -5.904 -1.033 79 HZ2 LYS 10 HZ2 LYS 10 -23.160 -4.443 -0.590 80 HZ3 LYS 10 HZ3 LYS 10 -21.932 -5.099 0.370 81 H ALA 11 H ALA 11 -16.690 0.587 0.220 82 HA ALA 11 HA ALA 11 -17.551 3.250 0.858 83 HB1 ALA 11 HB1 ALA 11 -15.585 3.281 2.358 84 HB2 ALA 11 HB2 ALA 11 -14.997 1.779 1.632 85 HB3 ALA 11 HB3 ALA 11 -16.507 1.789 2.546 86 H TYR 12 H TYR 12 -15.044 1.813 -1.153 87 HA TYR 12 HA TYR 12 -13.954 4.415 -1.972 88 HB2 TYR 12 HB2 TYR 12 -12.609 2.126 -1.522 89 HB3 TYR 12 HB3 TYR 12 -13.073 1.756 -3.177 90 HD1 TYR 12 HD1 TYR 12 -12.736 4.244 -4.658 91 HD2 TYR 12 HD2 TYR 12 -10.340 2.722 -1.470 92 HE1 TYR 12 HE1 TYR 12 -10.845 5.585 -5.432 93 HE2 TYR 12 HE2 TYR 12 -8.466 4.040 -2.257 94 HH TYR 12 HH TYR 12 -8.800 6.522 -4.580 95 H LYS 13 H LYS 13 -16.400 4.621 -2.678 96 HA LYS 13 HA LYS 13 -17.006 3.358 -5.268 97 HB2 LYS 13 HB2 LYS 13 -18.758 3.350 -3.511 98 HB3 LYS 13 HB3 LYS 13 -18.712 5.109 -3.445 99 HG2 LYS 13 HG2 LYS 13 -19.369 5.052 -5.949 100 HG3 LYS 13 HG3 LYS 13 -19.720 3.346 -5.694 101 HD2 LYS 13 HD2 LYS 13 -21.803 4.429 -5.464 102 HD3 LYS 13 HD3 LYS 13 -21.304 4.112 -3.805 103 HE2 LYS 13 HE2 LYS 13 -20.971 6.772 -5.244 104 HE3 LYS 13 HE3 LYS 13 -22.294 6.385 -4.150 105 HZ1 LYS 13 HZ1 LYS 13 -20.634 7.642 -3.003 106 HZ2 LYS 13 HZ2 LYS 13 -19.419 6.558 -3.443 107 HZ3 LYS 13 HZ3 LYS 13 -20.638 6.072 -2.377 108 H LYS 14 H LYS 14 -15.801 4.458 -6.762 109 HA LYS 14 HA LYS 14 -15.458 5.976 -8.407 110 HB2 LYS 14 HB2 LYS 14 -18.022 5.990 -8.164 111 HB3 LYS 14 HB3 LYS 14 -17.843 7.485 -7.260 112 HG2 LYS 14 HG2 LYS 14 -17.050 8.663 -9.196 113 HG3 LYS 14 HG3 LYS 14 -16.858 7.158 -10.109 114 HD2 LYS 14 HD2 LYS 14 -19.336 6.806 -10.006 115 HD3 LYS 14 HD3 LYS 14 -19.501 8.344 -9.152 116 HE2 LYS 14 HE2 LYS 14 -18.346 8.046 -11.942 117 HE3 LYS 14 HE3 LYS 14 -20.016 8.492 -11.593 118 HZ1 LYS 14 HZ1 LYS 14 -17.607 10.021 -10.778 119 HZ2 LYS 14 HZ2 LYS 14 -19.203 10.447 -10.430 120 HZ3 LYS 14 HZ3 LYS 14 -18.668 10.431 -12.030 121 H ALA 15 H ALA 15 -14.358 6.279 -5.658 122 HA ALA 15 HA ALA 15 -13.987 9.128 -5.168 123 HB1 ALA 15 HB1 ALA 15 -12.709 8.346 -3.171 124 HB2 ALA 15 HB2 ALA 15 -12.918 6.678 -3.702 125 HB3 ALA 15 HB3 ALA 15 -14.325 7.635 -3.239 126 H GLU 16 H GLU 16 -13.018 9.267 -7.397 127 HA GLU 16 HA GLU 16 -10.076 8.912 -7.386 128 HB2 GLU 16 HB2 GLU 16 -11.928 8.096 -9.691 129 HB3 GLU 16 HB3 GLU 16 -10.167 8.050 -9.731 130 HG2 GLU 16 HG2 GLU 16 -10.101 6.261 -8.106 131 HG3 GLU 16 HG3 GLU 16 -11.834 6.396 -7.807 132 H GLU 17 H GLU 17 -12.254 11.136 -7.242 133 HA GLU 17 HA GLU 17 -11.367 12.841 -9.497 134 HB2 GLU 17 HB2 GLU 17 -13.729 13.537 -9.877 135 HB3 GLU 17 HB3 GLU 17 -13.472 11.827 -10.215 136 HG2 GLU 17 HG2 GLU 17 -14.499 11.203 -8.082 137 HG3 GLU 17 HG3 GLU 17 -14.668 12.900 -7.639 138 H LEU 18 H LEU 18 -12.273 15.111 -9.229 139 HA LEU 18 HA LEU 18 -12.828 17.031 -8.193 140 HB2 LEU 18 HB2 LEU 18 -14.300 15.123 -6.856 141 HB3 LEU 18 HB3 LEU 18 -13.417 15.809 -5.516 142 HG LEU 18 HG LEU 18 -15.159 17.458 -7.392 143 HD11 LEU 18 HD11 LEU 18 -16.562 15.801 -6.270 144 HD12 LEU 18 HD12 LEU 18 -16.888 17.409 -5.630 145 HD13 LEU 18 HD13 LEU 18 -15.910 16.270 -4.697 146 HD21 LEU 18 HD21 LEU 18 -14.026 18.119 -4.653 147 HD22 LEU 18 HD22 LEU 18 -15.113 19.145 -5.594 148 HD23 LEU 18 HD23 LEU 18 -13.492 18.798 -6.193 149 H ASN 19 H ASN 19 -10.133 15.612 -7.894 150 HA ASN 19 HA ASN 19 -8.141 15.675 -6.846 151 HB2 ASN 19 HB2 ASN 19 -8.127 17.955 -7.814 152 HB3 ASN 19 HB3 ASN 19 -8.905 18.591 -6.368 153 HD21 ASN 19 HD21 ASN 19 -5.934 17.126 -7.590 154 HD22 ASN 19 HD22 ASN 19 -4.904 17.718 -6.340 155 H GLN 20 H GLN 20 -9.203 14.204 -5.328 156 HA GLN 20 HA GLN 20 -9.109 15.194 -2.545 157 HB2 GLN 20 HB2 GLN 20 -11.046 13.070 -3.585 158 HB3 GLN 20 HB3 GLN 20 -10.983 13.727 -1.951 159 HG2 GLN 20 HG2 GLN 20 -11.701 15.935 -2.840 160 HG3 GLN 20 HG3 GLN 20 -11.793 15.236 -4.458 161 HE21 GLN 20 HE21 GLN 20 -13.406 13.604 -4.864 162 HE22 GLN 20 HE22 GLN 20 -14.832 13.521 -3.889 163 H GLY 21 H GLY 21 -8.507 13.540 -1.005 164 HA2 GLY 21 HA2 GLY 21 -7.375 11.040 -2.026 165 HA3 GLY 21 HA3 GLY 21 -6.239 12.215 -1.384 166 H GLU 22 H GLU 22 -7.842 13.194 0.757 167 HA GLU 22 HA GLU 22 -7.222 11.371 2.794 168 HB2 GLU 22 HB2 GLU 22 -7.342 13.780 3.155 169 HB3 GLU 22 HB3 GLU 22 -9.061 13.801 2.816 170 HG2 GLU 22 HG2 GLU 22 -8.001 12.193 5.141 171 HG3 GLU 22 HG3 GLU 22 -8.185 13.936 5.298 172 H LEU 23 H LEU 23 -10.223 11.886 1.029 173 HA LEU 23 HA LEU 23 -11.876 10.174 2.651 174 HB2 LEU 23 HB2 LEU 23 -12.292 11.258 -0.162 175 HB3 LEU 23 HB3 LEU 23 -13.522 10.430 0.780 176 HG LEU 23 HG LEU 23 -12.269 13.119 1.467 177 HD11 LEU 23 HD11 LEU 23 -13.808 13.281 -0.420 178 HD12 LEU 23 HD12 LEU 23 -14.488 14.056 1.005 179 HD13 LEU 23 HD13 LEU 23 -15.075 12.468 0.505 180 HD21 LEU 23 HD21 LEU 23 -13.932 13.231 3.291 181 HD22 LEU 23 HD22 LEU 23 -12.788 11.914 3.519 182 HD23 LEU 23 HD23 LEU 23 -14.424 11.569 2.946 183 H MET 24 H MET 24 -9.402 9.330 0.606 184 HA MET 24 HA MET 24 -10.471 6.658 0.004 185 HB2 MET 24 HB2 MET 24 -9.864 6.829 -2.356 186 HB3 MET 24 HB3 MET 24 -10.987 8.111 -1.955 187 HG2 MET 24 HG2 MET 24 -8.793 9.535 -1.625 188 HG3 MET 24 HG3 MET 24 -8.080 8.294 -2.649 189 HE1 MET 24 HE1 MET 24 -11.558 11.038 -3.901 190 HE2 MET 24 HE2 MET 24 -10.807 11.055 -2.304 191 HE3 MET 24 HE3 MET 24 -11.781 9.668 -2.814 192 H GLY 25 H GLY 25 -8.364 5.673 -1.467 193 HA2 GLY 25 HA2 GLY 25 -6.194 4.912 -1.386 194 HA3 GLY 25 HA3 GLY 25 -5.803 6.229 -0.295 195 H ARG 26 H ARG 26 -7.145 5.878 1.871 196 HA ARG 26 HA ARG 26 -5.960 3.910 3.380 197 HB2 ARG 26 HB2 ARG 26 -8.654 5.191 4.040 198 HB3 ARG 26 HB3 ARG 26 -7.462 4.554 5.173 199 HG2 ARG 26 HG2 ARG 26 -5.881 6.365 4.418 200 HG3 ARG 26 HG3 ARG 26 -7.194 7.038 3.450 201 HD2 ARG 26 HD2 ARG 26 -7.011 8.240 5.559 202 HD3 ARG 26 HD3 ARG 26 -8.531 7.335 5.522 203 HE ARG 26 HE ARG 26 -6.327 5.939 6.774 204 HH11 ARG 26 HH11 ARG 26 -9.035 8.118 7.376 205 HH12 ARG 26 HH12 ARG 26 -9.111 7.727 9.065 206 HH21 ARG 26 HH21 ARG 26 -6.429 5.460 8.956 207 HH22 ARG 26 HH22 ARG 26 -7.622 6.212 9.968 208 H ALA 27 H ALA 27 -9.170 3.918 1.847 209 HA ALA 27 HA ALA 27 -10.187 1.503 2.862 210 HB1 ALA 27 HB1 ALA 27 -11.795 1.594 0.997 211 HB2 ALA 27 HB2 ALA 27 -10.815 2.833 0.207 212 HB3 ALA 27 HB3 ALA 27 -11.600 3.181 1.747 213 H LEU 28 H LEU 28 -8.228 2.148 -0.073 214 HA LEU 28 HA LEU 28 -8.143 -0.480 -1.085 215 HB2 LEU 28 HB2 LEU 28 -6.233 1.843 -1.382 216 HB3 LEU 28 HB3 LEU 28 -5.890 0.288 -2.130 217 HG LEU 28 HG LEU 28 -8.290 2.035 -2.711 218 HD11 LEU 28 HD11 LEU 28 -5.863 1.483 -4.421 219 HD12 LEU 28 HD12 LEU 28 -6.217 2.994 -3.579 220 HD13 LEU 28 HD13 LEU 28 -7.269 2.448 -4.882 221 HD21 LEU 28 HD21 LEU 28 -8.804 0.490 -4.541 222 HD22 LEU 28 HD22 LEU 28 -8.876 -0.320 -2.977 223 HD23 LEU 28 HD23 LEU 28 -7.480 -0.563 -4.031 224 H TYR 29 H TYR 29 -5.941 1.275 1.076 225 HA TYR 29 HA TYR 29 -3.921 -0.553 1.515 226 HB2 TYR 29 HB2 TYR 29 -3.654 1.677 2.368 227 HB3 TYR 29 HB3 TYR 29 -5.138 1.589 3.307 228 HD1 TYR 29 HD2 TYR 29 -1.602 0.391 3.167 229 HD2 TYR 29 HD1 TYR 29 -5.125 0.743 5.565 230 HE1 TYR 29 HE2 TYR 29 -0.326 -0.301 5.145 231 HE2 TYR 29 HE1 TYR 29 -3.857 0.047 7.536 232 HH TYR 29 HH TYR 29 -1.829 -1.263 8.019 233 H ASN 30 H ASN 30 -7.038 -0.309 3.248 234 HA ASN 30 HA ASN 30 -6.589 -2.388 5.124 235 HB2 ASN 30 HB2 ASN 30 -9.118 -1.062 4.107 236 HB3 ASN 30 HB3 ASN 30 -9.183 -2.377 5.273 237 HD21 ASN 30 HD21 ASN 30 -8.548 0.978 4.832 238 HD22 ASN 30 HD22 ASN 30 -8.242 1.348 6.487 239 H ILE 31 H ILE 31 -8.004 -2.402 1.867 240 HA ILE 31 HA ILE 31 -8.806 -5.131 1.774 241 HB ILE 31 HB ILE 31 -7.870 -3.394 -0.562 242 HG12 ILE 31 HG12 ILE 31 -10.730 -3.836 0.408 243 HG13 ILE 31 HG13 ILE 31 -9.780 -2.389 0.724 244 HG21 ILE 31 HG21 ILE 31 -9.221 -4.928 -1.976 245 HG22 ILE 31 HG22 ILE 31 -9.550 -5.925 -0.560 246 HG23 ILE 31 HG23 ILE 31 -7.899 -5.766 -1.162 247 HD11 ILE 31 HD11 ILE 31 -11.334 -2.024 -1.085 248 HD12 ILE 31 HD12 ILE 31 -10.652 -3.375 -1.990 249 HD13 ILE 31 HD13 ILE 31 -9.676 -1.933 -1.684 250 H GLY 32 H GLY 32 -5.766 -3.454 1.148 251 HA2 GLY 32 HA2 GLY 32 -4.231 -5.504 -0.009 252 HA3 GLY 32 HA3 GLY 32 -3.610 -4.119 0.871 253 H LEU 33 H LEU 33 -4.688 -4.546 3.388 254 HA LEU 33 HA LEU 33 -2.945 -6.351 4.646 255 HB2 LEU 33 HB2 LEU 33 -5.624 -5.304 5.656 256 HB3 LEU 33 HB3 LEU 33 -4.389 -6.054 6.664 257 HG LEU 33 HG LEU 33 -4.074 -3.422 5.161 258 HD11 LEU 33 HD11 LEU 33 -5.645 -3.210 7.005 259 HD12 LEU 33 HD12 LEU 33 -4.140 -2.375 7.376 260 HD13 LEU 33 HD13 LEU 33 -4.485 -3.941 8.118 261 HD21 LEU 33 HD21 LEU 33 -1.922 -4.574 5.366 262 HD22 LEU 33 HD22 LEU 33 -2.170 -4.784 7.101 263 HD23 LEU 33 HD23 LEU 33 -1.973 -3.165 6.423 264 H GLU 34 H GLU 34 -6.379 -6.673 3.813 265 HA GLU 34 HA GLU 34 -6.926 -9.260 4.723 266 HB2 GLU 34 HB2 GLU 34 -8.074 -7.655 2.408 267 HB3 GLU 34 HB3 GLU 34 -8.751 -9.196 2.920 268 HG2 GLU 34 HG2 GLU 34 -8.508 -6.774 4.726 269 HG3 GLU 34 HG3 GLU 34 -9.948 -7.162 3.785 270 H LYS 35 H LYS 35 -5.693 -8.176 1.555 271 HA LYS 35 HA LYS 35 -5.654 -10.678 0.235 272 HB2 LYS 35 HB2 LYS 35 -4.012 -8.158 -0.232 273 HB3 LYS 35 HB3 LYS 35 -3.955 -9.551 -1.304 274 HG2 LYS 35 HG2 LYS 35 -6.417 -7.872 -0.739 275 HG3 LYS 35 HG3 LYS 35 -5.384 -7.745 -2.165 276 HD2 LYS 35 HD2 LYS 35 -5.944 -10.256 -2.555 277 HD3 LYS 35 HD3 LYS 35 -7.235 -10.016 -1.374 278 HE2 LYS 35 HE2 LYS 35 -6.915 -8.468 -3.972 279 HE3 LYS 35 HE3 LYS 35 -8.043 -9.793 -3.704 280 HZ1 LYS 35 HZ1 LYS 35 -8.081 -7.290 -2.131 281 HZ2 LYS 35 HZ2 LYS 35 -9.263 -8.501 -2.177 282 HZ3 LYS 35 HZ3 LYS 35 -8.995 -7.523 -3.533 283 H ASN 36 H ASN 36 -3.191 -8.915 2.051 284 HA ASN 36 HA ASN 36 -0.970 -10.582 1.550 285 HB2 ASN 36 HB2 ASN 36 -0.840 -8.205 2.346 286 HB3 ASN 36 HB3 ASN 36 -1.450 -8.705 3.920 287 HD21 ASN 36 HD21 ASN 36 -0.041 -9.760 5.344 288 HD22 ASN 36 HD22 ASN 36 1.660 -9.868 5.062 289 H LYS 37 H LYS 37 -3.412 -10.570 4.102 290 HA LYS 37 HA LYS 37 -2.279 -12.627 5.726 291 HB2 LYS 37 HB2 LYS 37 -5.131 -11.554 5.549 292 HB3 LYS 37 HB3 LYS 37 -4.575 -12.688 6.783 293 HG2 LYS 37 HG2 LYS 37 -2.963 -11.045 7.617 294 HG3 LYS 37 HG3 LYS 37 -3.433 -9.908 6.351 295 HD2 LYS 37 HD2 LYS 37 -5.733 -9.829 7.305 296 HD3 LYS 37 HD3 LYS 37 -5.222 -10.926 8.595 297 HE2 LYS 37 HE2 LYS 37 -3.556 -9.237 9.334 298 HE3 LYS 37 HE3 LYS 37 -4.117 -8.143 8.069 299 HZ1 LYS 37 HZ1 LYS 37 -6.294 -8.117 9.120 300 HZ2 LYS 37 HZ2 LYS 37 -5.099 -7.612 10.197 301 HZ3 LYS 37 HZ3 LYS 37 -5.754 -9.163 10.332 302 H MET 38 H MET 38 -4.430 -12.659 2.926 303 HA MET 38 HA MET 38 -5.005 -15.500 3.078 304 HB2 MET 38 HB2 MET 38 -5.440 -13.499 0.813 305 HB3 MET 38 HB3 MET 38 -5.997 -15.168 0.786 306 HG2 MET 38 HG2 MET 38 -7.360 -14.665 2.838 307 HG3 MET 38 HG3 MET 38 -6.912 -12.972 2.649 308 HE1 MET 38 HE1 MET 38 -6.992 -12.623 -0.572 309 HE2 MET 38 HE2 MET 38 -7.684 -11.466 0.571 310 HE3 MET 38 HE3 MET 38 -8.656 -12.076 -0.768 311 H GLY 39 H GLY 39 -2.206 -13.881 2.399 312 HA2 GLY 39 HA2 GLY 39 -0.171 -14.800 1.723 313 HA3 GLY 39 HA3 GLY 39 -1.013 -16.137 0.954 314 H LYS 40 H LYS 40 -2.637 -13.516 -0.026 315 HA LYS 40 HA LYS 40 -1.364 -13.481 -2.652 316 HB2 LYS 40 HB2 LYS 40 -4.020 -12.314 -1.702 317 HB3 LYS 40 HB3 LYS 40 -3.478 -12.417 -3.381 318 HG2 LYS 40 HG2 LYS 40 -3.448 -14.886 -3.221 319 HG3 LYS 40 HG3 LYS 40 -4.007 -14.784 -1.547 320 HD2 LYS 40 HD2 LYS 40 -6.129 -13.781 -2.297 321 HD3 LYS 40 HD3 LYS 40 -5.558 -13.787 -3.971 322 HE2 LYS 40 HE2 LYS 40 -5.398 -16.282 -3.858 323 HE3 LYS 40 HE3 LYS 40 -6.091 -16.222 -2.237 324 HZ1 LYS 40 HZ1 LYS 40 -8.036 -15.097 -3.257 325 HZ2 LYS 40 HZ2 LYS 40 -7.815 -16.695 -3.755 326 HZ3 LYS 40 HZ3 LYS 40 -7.381 -15.423 -4.775 327 H ALA 41 H ALA 41 0.355 -12.351 -1.148 328 HA ALA 41 HA ALA 41 0.027 -9.611 -0.476 329 HB1 ALA 41 HB1 ALA 41 2.570 -11.235 -0.766 330 HB2 ALA 41 HB2 ALA 41 1.603 -11.076 0.702 331 HB3 ALA 41 HB3 ALA 41 2.425 -9.666 0.030 332 H ARG 42 H ARG 42 0.717 -11.200 -3.448 333 HA ARG 42 HA ARG 42 2.176 -9.235 -4.856 334 HB2 ARG 42 HB2 ARG 42 1.402 -11.754 -5.448 335 HB3 ARG 42 HB3 ARG 42 0.088 -10.928 -6.267 336 HG2 ARG 42 HG2 ARG 42 3.055 -10.660 -6.837 337 HG3 ARG 42 HG3 ARG 42 1.865 -11.498 -7.828 338 HD2 ARG 42 HD2 ARG 42 2.074 -8.510 -7.350 339 HD3 ARG 42 HD3 ARG 42 2.398 -9.377 -8.854 340 HE ARG 42 HE ARG 42 -0.211 -9.979 -8.174 341 HH11 ARG 42 HH11 ARG 42 1.565 -7.067 -8.974 342 HH12 ARG 42 HH12 ARG 42 0.178 -6.254 -9.616 343 HH21 ARG 42 HH21 ARG 42 -2.049 -8.873 -8.929 344 HH22 ARG 42 HH22 ARG 42 -1.870 -7.276 -9.590 345 H GLU 43 H GLU 43 -1.318 -9.897 -4.657 346 HA GLU 43 HA GLU 43 -2.182 -7.515 -5.974 347 HB2 GLU 43 HB2 GLU 43 -3.642 -9.548 -4.243 348 HB3 GLU 43 HB3 GLU 43 -4.453 -8.129 -4.900 349 HG2 GLU 43 HG2 GLU 43 -4.890 -10.069 -6.294 350 HG3 GLU 43 HG3 GLU 43 -3.955 -8.867 -7.181 351 H ALA 44 H ALA 44 -1.605 -8.398 -2.582 352 HA ALA 44 HA ALA 44 -2.704 -6.176 -1.281 353 HB1 ALA 44 HB1 ALA 44 -0.183 -7.679 -0.508 354 HB2 ALA 44 HB2 ALA 44 -1.830 -8.165 -0.106 355 HB3 ALA 44 HB3 ALA 44 -1.171 -6.670 0.557 356 H ALA 45 H ALA 45 0.457 -6.611 -2.803 357 HA ALA 45 HA ALA 45 1.638 -4.157 -2.078 358 HB1 ALA 45 HB1 ALA 45 3.280 -4.654 -3.830 359 HB2 ALA 45 HB2 ALA 45 2.230 -5.923 -4.471 360 HB3 ALA 45 HB3 ALA 45 2.931 -6.086 -2.859 361 H GLU 46 H GLU 46 -0.503 -5.040 -4.755 362 HA GLU 46 HA GLU 46 -0.402 -2.677 -6.275 363 HB2 GLU 46 HB2 GLU 46 -2.768 -4.514 -5.714 364 HB3 GLU 46 HB3 GLU 46 -2.787 -3.244 -6.925 365 HG2 GLU 46 HG2 GLU 46 -0.883 -5.604 -6.967 366 HG3 GLU 46 HG3 GLU 46 -2.426 -5.555 -7.819 367 H TYR 47 H TYR 47 -2.514 -3.572 -3.529 368 HA TYR 47 HA TYR 47 -3.999 -1.148 -3.456 369 HB2 TYR 47 HB2 TYR 47 -3.595 -3.268 -1.304 370 HB3 TYR 47 HB3 TYR 47 -4.777 -1.967 -1.214 371 HD1 TYR 47 HD1 TYR 47 -6.602 -1.858 -3.022 372 HD2 TYR 47 HD2 TYR 47 -4.142 -5.279 -2.435 373 HE1 TYR 47 HE1 TYR 47 -8.236 -3.240 -4.231 374 HE2 TYR 47 HE2 TYR 47 -5.753 -6.658 -3.643 375 HH TYR 47 HH TYR 47 -8.331 -5.357 -5.432 376 H PHE 48 H PHE 48 -1.071 -2.209 -1.763 377 HA PHE 48 HA PHE 48 -0.924 0.019 0.043 378 HB2 PHE 48 HB2 PHE 48 1.270 -1.914 -0.833 379 HB3 PHE 48 HB3 PHE 48 1.403 -0.766 0.499 380 HD1 PHE 48 HD1 PHE 48 -1.365 -1.134 1.728 381 HD2 PHE 48 HD2 PHE 48 1.524 -3.975 0.340 382 HE1 PHE 48 HE1 PHE 48 -2.252 -2.808 3.290 383 HE2 PHE 48 HE2 PHE 48 0.622 -5.643 1.904 384 HZ PHE 48 HZ PHE 48 -1.263 -5.066 3.378 385 H PHE 49 H PHE 49 0.281 -0.652 -3.197 386 HA PHE 49 HA PHE 49 2.034 1.603 -3.395 387 HB2 PHE 49 HB2 PHE 49 2.310 -0.366 -4.871 388 HB3 PHE 49 HB3 PHE 49 0.734 -0.067 -5.604 389 HD1 PHE 49 HD2 PHE 49 3.835 1.912 -4.853 390 HD2 PHE 49 HD1 PHE 49 0.867 0.921 -7.766 391 HE1 PHE 49 HE2 PHE 49 4.915 3.363 -6.476 392 HE2 PHE 49 HE1 PHE 49 1.980 2.394 -9.392 393 HZ PHE 49 HZ PHE 49 4.026 3.624 -8.745 394 H ARG 50 H ARG 50 -1.255 0.935 -4.574 395 HA ARG 50 HA ARG 50 -1.734 3.432 -5.807 396 HB2 ARG 50 HB2 ARG 50 -3.691 1.375 -4.707 397 HB3 ARG 50 HB3 ARG 50 -4.143 2.740 -5.725 398 HG2 ARG 50 HG2 ARG 50 -2.724 1.804 -7.556 399 HG3 ARG 50 HG3 ARG 50 -2.372 0.409 -6.532 400 HD2 ARG 50 HD2 ARG 50 -4.185 -0.085 -8.137 401 HD3 ARG 50 HD3 ARG 50 -4.751 -0.177 -6.464 402 HE ARG 50 HE ARG 50 -5.144 2.387 -7.758 403 HH11 ARG 50 HH11 ARG 50 -6.647 -0.747 -7.109 404 HH12 ARG 50 HH12 ARG 50 -8.258 -0.153 -7.355 405 HH21 ARG 50 HH21 ARG 50 -7.242 3.144 -8.005 406 HH22 ARG 50 HH22 ARG 50 -8.583 2.058 -7.862 407 H ALA 51 H ALA 51 -2.355 2.189 -2.538 408 HA ALA 51 HA ALA 51 -3.681 4.439 -1.464 409 HB1 ALA 51 HB1 ALA 51 -3.010 3.548 0.740 410 HB2 ALA 51 HB2 ALA 51 -1.896 2.426 -0.049 411 HB3 ALA 51 HB3 ALA 51 -3.637 2.271 -0.307 412 H ALA 52 H ALA 52 -0.223 3.541 -1.638 413 HA ALA 52 HA ALA 52 0.832 5.721 -0.202 414 HB1 ALA 52 HB1 ALA 52 2.181 4.095 -2.392 415 HB2 ALA 52 HB2 ALA 52 2.137 3.688 -0.676 416 HB3 ALA 52 HB3 ALA 52 2.997 5.132 -1.210 417 H ILE 53 H ILE 53 0.018 5.377 -3.650 418 HA ILE 53 HA ILE 53 1.042 7.810 -4.638 419 HB ILE 53 HB ILE 53 -1.476 6.319 -5.558 420 HG12 ILE 53 HG12 ILE 53 1.370 6.203 -6.658 421 HG13 ILE 53 HG13 ILE 53 0.588 4.934 -5.729 422 HG21 ILE 53 HG21 ILE 53 -1.509 8.652 -6.344 423 HG22 ILE 53 HG22 ILE 53 -1.236 7.555 -7.696 424 HG23 ILE 53 HG23 ILE 53 0.113 8.469 -7.016 425 HD11 ILE 53 HD11 ILE 53 -1.041 4.636 -7.544 426 HD12 ILE 53 HD12 ILE 53 0.623 4.380 -8.067 427 HD13 ILE 53 HD13 ILE 53 -0.207 5.879 -8.479 428 H VAL 54 H VAL 54 -2.147 6.990 -3.295 429 HA VAL 54 HA VAL 54 -3.389 9.507 -3.558 430 HB VAL 54 HB VAL 54 -3.969 7.166 -1.683 431 HG11 VAL 54 HG11 VAL 54 -5.717 9.581 -2.265 432 HG12 VAL 54 HG12 VAL 54 -4.955 9.193 -0.720 433 HG13 VAL 54 HG13 VAL 54 -6.218 8.146 -1.367 434 HG21 VAL 54 HG21 VAL 54 -5.749 6.611 -3.303 435 HG22 VAL 54 HG22 VAL 54 -4.174 6.658 -4.102 436 HG23 VAL 54 HG23 VAL 54 -5.298 8.004 -4.294 437 H PHE 55 H PHE 55 -1.638 8.049 -0.798 438 HA PHE 55 HA PHE 55 -2.013 10.186 1.051 439 HB2 PHE 55 HB2 PHE 55 0.071 7.968 0.955 440 HB3 PHE 55 HB3 PHE 55 -0.054 9.114 2.286 441 HD1 PHE 55 HD1 PHE 55 -2.682 9.331 3.153 442 HD2 PHE 55 HD2 PHE 55 -0.848 5.866 1.430 443 HE1 PHE 55 HE1 PHE 55 -4.283 7.877 4.331 444 HE2 PHE 55 HE2 PHE 55 -2.455 4.429 2.603 445 HZ PHE 55 HZ PHE 55 -4.169 5.430 4.057 446 H TYR 56 H TYR 56 0.350 9.530 -1.440 447 HA TYR 56 HA TYR 56 2.265 11.530 -0.761 448 HB2 TYR 56 HB2 TYR 56 2.948 9.697 -2.166 449 HB3 TYR 56 HB3 TYR 56 1.652 9.999 -3.321 450 HD1 TYR 56 HD2 TYR 56 4.554 11.879 -1.801 451 HD2 TYR 56 HD1 TYR 56 2.313 10.989 -5.335 452 HE1 TYR 56 HE2 TYR 56 6.081 13.257 -3.118 453 HE2 TYR 56 HE1 TYR 56 3.827 12.382 -6.644 454 HH TYR 56 HH TYR 56 6.809 13.407 -5.571 455 H LYS 57 H LYS 57 -0.490 11.472 -3.027 456 HA LYS 57 HA LYS 57 -0.371 14.115 -3.947 457 HB2 LYS 57 HB2 LYS 57 -2.543 12.041 -3.764 458 HB3 LYS 57 HB3 LYS 57 -3.061 13.702 -4.036 459 HG2 LYS 57 HG2 LYS 57 -2.850 12.549 -6.151 460 HG3 LYS 57 HG3 LYS 57 -1.647 13.832 -6.031 461 HD2 LYS 57 HD2 LYS 57 0.091 12.152 -5.479 462 HD3 LYS 57 HD3 LYS 57 -1.117 10.870 -5.578 463 HE2 LYS 57 HE2 LYS 57 -0.252 12.653 -7.874 464 HE3 LYS 57 HE3 LYS 57 0.271 10.989 -7.610 465 HZ1 LYS 57 HZ1 LYS 57 -2.511 11.878 -8.151 466 HZ2 LYS 57 HZ2 LYS 57 -2.040 10.284 -7.863 467 HZ3 LYS 57 HZ3 LYS 57 -1.480 11.091 -9.237 468 H GLU 58 H GLU 58 -1.779 12.773 -1.006 469 HA GLU 58 HA GLU 58 -2.741 15.350 -0.079 470 HB2 GLU 58 HB2 GLU 58 -2.635 12.632 1.302 471 HB3 GLU 58 HB3 GLU 58 -3.361 14.078 2.010 472 HG2 GLU 58 HG2 GLU 58 -4.247 12.751 -0.561 473 HG3 GLU 58 HG3 GLU 58 -5.028 12.563 1.004 474 H HIS 59 H HIS 59 0.220 13.767 -0.070 475 HA HIS 59 HA HIS 59 2.236 14.115 0.820 476 HB2 HIS 59 HB2 HIS 59 1.029 16.852 1.385 477 HB3 HIS 59 HB3 HIS 59 2.724 16.485 1.699 478 HD1 HIS 59 HD1 HIS 59 4.301 16.399 -0.269 479 HD2 HIS 59 HD2 HIS 59 0.342 16.832 -1.425 480 HE1 HIS 59 HE1 HIS 59 4.373 16.858 -2.727 481 HE2 HIS 59 HE2 HIS 59 1.954 16.880 -3.429 482 H ASP 60 H ASP 60 0.117 12.950 2.449 483 HA ASP 60 HA ASP 60 0.711 13.543 5.224 484 HB2 ASP 60 HB2 ASP 60 -1.549 12.843 4.694 485 HB3 ASP 60 HB3 ASP 60 -0.975 11.432 3.816 486 H THR 61 H THR 61 2.770 13.082 5.722 487 HA THR 61 HA THR 61 4.458 11.134 4.615 488 HB THR 61 HB THR 61 5.862 11.531 6.770 489 HG1 THR 61 HG1 THR 61 4.781 12.411 8.348 490 HG21 THR 61 HG21 THR 61 6.309 12.808 4.725 491 HG22 THR 61 HG22 THR 61 6.500 13.824 6.153 492 HG23 THR 61 HG23 THR 61 5.051 13.973 5.156 493 H ASP 62 H ASP 62 2.271 10.975 7.354 494 HA ASP 62 HA ASP 62 3.353 8.647 8.592 495 HB2 ASP 62 HB2 ASP 62 0.601 9.944 8.855 496 HB3 ASP 62 HB3 ASP 62 1.202 8.658 9.903 497 H GLY 63 H GLY 63 0.458 9.182 6.542 498 HA2 GLY 63 HA2 GLY 63 -0.261 6.422 6.344 499 HA3 GLY 63 HA3 GLY 63 -0.859 7.736 5.346 500 H LEU 64 H LEU 64 1.622 8.591 4.300 501 HA LEU 64 HA LEU 64 2.002 6.954 2.047 502 HB2 LEU 64 HB2 LEU 64 2.557 9.336 2.024 503 HB3 LEU 64 HB3 LEU 64 3.768 9.107 3.272 504 HG LEU 64 HG LEU 64 5.164 7.784 1.646 505 HD11 LEU 64 HD11 LEU 64 3.093 8.613 -0.408 506 HD12 LEU 64 HD12 LEU 64 3.419 6.965 0.140 507 HD13 LEU 64 HD13 LEU 64 4.651 7.858 -0.751 508 HD21 LEU 64 HD21 LEU 64 4.428 10.573 0.713 509 HD22 LEU 64 HD22 LEU 64 5.912 9.700 0.321 510 HD23 LEU 64 HD23 LEU 64 5.587 10.172 1.987 511 H ARG 65 H ARG 65 3.923 7.352 5.007 512 HA ARG 65 HA ARG 65 5.932 5.412 4.366 513 HB2 ARG 65 HB2 ARG 65 6.327 7.313 5.922 514 HB3 ARG 65 HB3 ARG 65 5.163 6.637 7.055 515 HG2 ARG 65 HG2 ARG 65 6.625 4.672 7.396 516 HG3 ARG 65 HG3 ARG 65 7.782 5.329 6.232 517 HD2 ARG 65 HD2 ARG 65 8.508 5.772 8.531 518 HD3 ARG 65 HD3 ARG 65 8.152 7.281 7.685 519 HE ARG 65 HE ARG 65 5.848 6.491 9.067 520 HH11 ARG 65 HH11 ARG 65 9.108 7.622 9.825 521 HH12 ARG 65 HH12 ARG 65 8.630 8.339 11.331 522 HH21 ARG 65 HH21 ARG 65 5.258 7.423 11.037 523 HH22 ARG 65 HH22 ARG 65 6.442 8.223 12.013 524 H ARG 66 H ARG 66 2.815 5.311 5.976 525 HA ARG 66 HA ARG 66 3.047 2.789 7.263 526 HB2 ARG 66 HB2 ARG 66 1.285 4.500 7.781 527 HB3 ARG 66 HB3 ARG 66 0.541 4.187 6.220 528 HG2 ARG 66 HG2 ARG 66 -0.771 3.002 7.781 529 HG3 ARG 66 HG3 ARG 66 0.217 1.766 7.001 530 HD2 ARG 66 HD2 ARG 66 0.795 3.019 9.710 531 HD3 ARG 66 HD3 ARG 66 0.008 1.467 9.465 532 HE ARG 66 HE ARG 66 2.816 2.037 9.359 533 HH11 ARG 66 HH11 ARG 66 0.378 -0.222 8.181 534 HH12 ARG 66 HH12 ARG 66 1.518 -1.503 7.946 535 HH21 ARG 66 HH21 ARG 66 4.260 0.321 9.087 536 HH22 ARG 66 HH22 ARG 66 3.703 -1.199 8.464 537 H ALA 67 H ALA 67 1.673 3.776 4.147 538 HA ALA 67 HA ALA 67 1.064 1.127 3.241 539 HB1 ALA 67 HB1 ALA 67 -0.249 3.058 2.516 540 HB2 ALA 67 HB2 ALA 67 0.472 2.244 1.126 541 HB3 ALA 67 HB3 ALA 67 1.166 3.755 1.725 542 H ALA 68 H ALA 68 3.813 3.338 2.903 543 HA ALA 68 HA ALA 68 5.208 1.941 0.843 544 HB1 ALA 68 HB1 ALA 68 5.754 4.274 1.438 545 HB2 ALA 68 HB2 ALA 68 7.178 3.238 1.552 546 HB3 ALA 68 HB3 ALA 68 6.333 3.748 3.020 547 H LYS 69 H LYS 69 5.366 1.856 4.390 548 HA LYS 69 HA LYS 69 7.404 -0.049 4.747 549 HB2 LYS 69 HB2 LYS 69 6.500 1.339 6.610 550 HB3 LYS 69 HB3 LYS 69 4.956 0.510 6.485 551 HG2 LYS 69 HG2 LYS 69 6.054 -0.447 8.367 552 HG3 LYS 69 HG3 LYS 69 6.172 -1.651 7.082 553 HD2 LYS 69 HD2 LYS 69 8.287 -1.500 8.284 554 HD3 LYS 69 HD3 LYS 69 8.512 -0.912 6.633 555 HE2 LYS 69 HE2 LYS 69 8.360 1.418 7.451 556 HE3 LYS 69 HE3 LYS 69 8.112 0.832 9.097 557 HZ1 LYS 69 HZ1 LYS 69 10.311 -0.219 8.971 558 HZ2 LYS 69 HZ2 LYS 69 10.384 1.456 8.780 559 HZ3 LYS 69 HZ3 LYS 69 10.541 0.450 7.438 560 H SER 70 H SER 70 3.866 -0.383 4.675 561 HA SER 70 HA SER 70 3.758 -3.174 5.047 562 HB2 SER 70 HB2 SER 70 1.905 -1.468 5.485 563 HB3 SER 70 HB3 SER 70 1.601 -1.460 3.746 564 HG SER 70 HG SER 70 1.566 -3.926 4.203 565 H LEU 71 H LEU 71 4.009 -1.163 2.168 566 HA LEU 71 HA LEU 71 3.529 -3.061 0.146 567 HB2 LEU 71 HB2 LEU 71 4.144 -0.393 0.151 568 HB3 LEU 71 HB3 LEU 71 5.694 -1.032 -0.344 569 HG LEU 71 HG LEU 71 3.045 -1.461 -1.799 570 HD11 LEU 71 HD11 LEU 71 5.409 0.279 -2.519 571 HD12 LEU 71 HD12 LEU 71 3.822 0.824 -1.970 572 HD13 LEU 71 HD13 LEU 71 3.980 0.003 -3.519 573 HD21 LEU 71 HD21 LEU 71 5.827 -2.310 -2.672 574 HD22 LEU 71 HD22 LEU 71 4.348 -2.437 -3.631 575 HD23 LEU 71 HD23 LEU 71 4.526 -3.387 -2.159 576 H LYS 72 H LYS 72 6.553 -2.078 1.778 577 HA LYS 72 HA LYS 72 8.294 -3.864 0.408 578 HB2 LYS 72 HB2 LYS 72 8.667 -2.498 3.092 579 HB3 LYS 72 HB3 LYS 72 9.949 -3.264 2.157 580 HG2 LYS 72 HG2 LYS 72 9.638 -1.606 0.360 581 HG3 LYS 72 HG3 LYS 72 8.337 -0.850 1.277 582 HD2 LYS 72 HD2 LYS 72 11.263 -1.001 2.096 583 HD3 LYS 72 HD3 LYS 72 10.414 0.426 1.508 584 HE2 LYS 72 HE2 LYS 72 10.470 0.761 3.833 585 HE3 LYS 72 HE3 LYS 72 8.861 0.096 3.583 586 HZ1 LYS 72 HZ1 LYS 72 9.613 -2.036 4.375 587 HZ2 LYS 72 HZ2 LYS 72 10.084 -0.865 5.496 588 HZ3 LYS 72 HZ3 LYS 72 11.221 -1.507 4.431 589 H GLU 73 H GLU 73 6.499 -4.113 3.453 590 HA GLU 73 HA GLU 73 7.735 -6.577 4.280 591 HB2 GLU 73 HB2 GLU 73 5.113 -5.421 5.313 592 HB3 GLU 73 HB3 GLU 73 6.141 -6.607 6.111 593 HG2 GLU 73 HG2 GLU 73 6.517 -3.641 5.837 594 HG3 GLU 73 HG3 GLU 73 6.599 -4.631 7.280 595 H ALA 74 H ALA 74 5.011 -5.671 2.297 596 HA ALA 74 HA ALA 74 3.815 -8.250 2.065 597 HB1 ALA 74 HB1 ALA 74 3.744 -5.928 0.093 598 HB2 ALA 74 HB2 ALA 74 2.591 -6.206 1.400 599 HB3 ALA 74 HB3 ALA 74 2.694 -7.351 0.062 600 H ILE 75 H ILE 75 6.502 -6.585 0.439 601 HA ILE 75 HA ILE 75 6.741 -8.052 -1.907 602 HB ILE 75 HB ILE 75 9.029 -6.804 -0.328 603 HG12 ILE 75 HG12 ILE 75 7.431 -5.073 -0.862 604 HG13 ILE 75 HG13 ILE 75 8.773 -4.888 -1.975 605 HG21 ILE 75 HG21 ILE 75 10.262 -6.749 -2.475 606 HG22 ILE 75 HG22 ILE 75 8.948 -7.635 -3.251 607 HG23 ILE 75 HG23 ILE 75 9.895 -8.400 -1.974 608 HD11 ILE 75 HD11 ILE 75 7.393 -6.045 -3.709 609 HD12 ILE 75 HD12 ILE 75 6.745 -4.508 -3.143 610 HD13 ILE 75 HD13 ILE 75 6.042 -6.018 -2.570 611 H THR 76 H THR 76 8.212 -8.769 1.247 612 HA THR 76 HA THR 76 9.679 -11.047 0.346 613 HB THR 76 HB THR 76 10.354 -9.807 2.365 614 HG1 THR 76 HG1 THR 76 10.162 -11.963 3.769 615 HG21 THR 76 HG21 THR 76 9.147 -10.062 4.502 616 HG22 THR 76 HG22 THR 76 7.864 -10.951 3.684 617 HG23 THR 76 HG23 THR 76 8.131 -9.251 3.298 618 H ALA 77 H ALA 77 6.403 -10.546 1.512 619 HA ALA 77 HA ALA 77 5.780 -13.374 1.882 620 HB1 ALA 77 HB1 ALA 77 3.993 -10.904 2.014 621 HB2 ALA 77 HB2 ALA 77 4.817 -11.662 3.381 622 HB3 ALA 77 HB3 ALA 77 3.551 -12.538 2.523 623 H ILE 78 H ILE 78 5.955 -11.320 -0.787 624 HA ILE 78 HA ILE 78 3.695 -12.108 -2.324 625 HB ILE 78 HB ILE 78 6.331 -10.781 -3.086 626 HG12 ILE 78 HG12 ILE 78 3.466 -9.776 -2.962 627 HG13 ILE 78 HG13 ILE 78 4.755 -9.389 -1.840 628 HG21 ILE 78 HG21 ILE 78 5.441 -10.341 -5.356 629 HG22 ILE 78 HG22 ILE 78 4.057 -11.379 -5.007 630 HG23 ILE 78 HG23 ILE 78 5.679 -12.062 -5.061 631 HD11 ILE 78 HD11 ILE 78 4.340 -7.546 -3.296 632 HD12 ILE 78 HD12 ILE 78 4.574 -8.557 -4.721 633 HD13 ILE 78 HD13 ILE 78 5.932 -8.214 -3.643 634 HA PRO 79 HA PRO 79 4.809 -16.193 -4.134 635 HB2 PRO 79 HB2 PRO 79 3.535 -14.661 -6.434 636 HB3 PRO 79 HB3 PRO 79 3.354 -16.379 -5.995 637 HG2 PRO 79 HG2 PRO 79 1.471 -14.697 -5.289 638 HG3 PRO 79 HG3 PRO 79 2.047 -15.895 -4.102 639 HD2 PRO 79 HD2 PRO 79 2.623 -12.946 -4.244 640 HD3 PRO 79 HD3 PRO 79 2.425 -13.990 -2.818 641 H GLU 80 H GLU 80 6.286 -16.991 -5.625 642 HA GLU 80 HA GLU 80 8.626 -15.297 -5.819 643 HB2 GLU 80 HB2 GLU 80 8.526 -17.684 -4.886 644 HB3 GLU 80 HB3 GLU 80 8.347 -18.253 -6.538 645 HG2 GLU 80 HG2 GLU 80 10.647 -18.516 -5.894 646 HG3 GLU 80 HG3 GLU 80 10.559 -17.212 -7.078 647 H GLU 81 H GLU 81 6.159 -16.227 -7.981 648 HA GLU 81 HA GLU 81 7.682 -16.914 -10.280 649 HB2 GLU 81 HB2 GLU 81 4.778 -16.019 -10.286 650 HB3 GLU 81 HB3 GLU 81 5.601 -16.978 -11.505 651 HG2 GLU 81 HG2 GLU 81 4.351 -18.594 -10.413 652 HG3 GLU 81 HG3 GLU 81 5.896 -18.731 -9.576 653 H GLU 82 H GLU 82 5.479 -14.086 -9.940 654 HA GLU 82 HA GLU 82 7.150 -12.635 -11.933 655 HB2 GLU 82 HB2 GLU 82 4.123 -12.522 -11.529 656 HB3 GLU 82 HB3 GLU 82 5.030 -11.580 -12.705 657 HG2 GLU 82 HG2 GLU 82 4.745 -14.602 -12.692 658 HG3 GLU 82 HG3 GLU 82 3.897 -13.481 -13.759 659 H GLY 83 H GLY 83 5.437 -12.457 -8.879 660 HA2 GLY 83 HA2 GLY 83 4.971 -9.677 -8.771 661 HA3 GLY 83 HA3 GLY 83 4.918 -10.791 -7.422 662 H ARG 84 H ARG 84 7.829 -11.517 -7.945 663 HA ARG 84 HA ARG 84 9.059 -9.666 -6.176 664 HB2 ARG 84 HB2 ARG 84 10.446 -11.523 -8.146 665 HB3 ARG 84 HB3 ARG 84 11.172 -10.797 -6.721 666 HG2 ARG 84 HG2 ARG 84 8.930 -12.837 -6.682 667 HG3 ARG 84 HG3 ARG 84 10.642 -13.205 -6.475 668 HD2 ARG 84 HD2 ARG 84 10.562 -11.567 -4.463 669 HD3 ARG 84 HD3 ARG 84 8.799 -11.697 -4.603 670 HE ARG 84 HE ARG 84 10.140 -14.235 -4.552 671 HH11 ARG 84 HH11 ARG 84 8.825 -11.759 -2.418 672 HH12 ARG 84 HH12 ARG 84 8.634 -12.863 -1.097 673 HH21 ARG 84 HH21 ARG 84 9.902 -15.625 -2.832 674 HH22 ARG 84 HH22 ARG 84 9.245 -15.058 -1.329 675 H LYS 85 H LYS 85 9.281 -10.116 -9.723 676 HA LYS 85 HA LYS 85 11.148 -7.890 -10.004 677 HB2 LYS 85 HB2 LYS 85 11.333 -8.618 -12.369 678 HB3 LYS 85 HB3 LYS 85 11.637 -9.934 -11.240 679 HG2 LYS 85 HG2 LYS 85 9.377 -10.816 -11.635 680 HG3 LYS 85 HG3 LYS 85 9.041 -9.490 -12.755 681 HD2 LYS 85 HD2 LYS 85 10.839 -10.286 -14.250 682 HD3 LYS 85 HD3 LYS 85 11.220 -11.590 -13.120 683 HE2 LYS 85 HE2 LYS 85 9.860 -12.407 -15.002 684 HE3 LYS 85 HE3 LYS 85 8.985 -12.565 -13.479 685 HZ1 LYS 85 HZ1 LYS 85 7.626 -11.706 -15.320 686 HZ2 LYS 85 HZ2 LYS 85 8.606 -10.330 -15.404 687 HZ3 LYS 85 HZ3 LYS 85 7.698 -10.637 -14.013 688 H GLU 86 H GLU 86 8.025 -7.603 -9.485 689 HA GLU 86 HA GLU 86 7.782 -5.309 -11.319 690 HB2 GLU 86 HB2 GLU 86 5.430 -5.790 -11.811 691 HB3 GLU 86 HB3 GLU 86 6.482 -7.076 -12.367 692 HG2 GLU 86 HG2 GLU 86 5.049 -8.522 -11.403 693 HG3 GLU 86 HG3 GLU 86 5.688 -7.989 -9.855 694 H ALA 87 H ALA 87 6.363 -6.830 -8.374 695 HA ALA 87 HA ALA 87 5.159 -4.370 -7.508 696 HB1 ALA 87 HB1 ALA 87 4.546 -5.590 -5.482 697 HB2 ALA 87 HB2 ALA 87 5.601 -6.927 -5.951 698 HB3 ALA 87 HB3 ALA 87 4.181 -6.538 -6.925 699 H LYS 88 H LYS 88 8.151 -6.076 -6.745 700 HA LYS 88 HA LYS 88 9.033 -4.513 -4.566 701 HB2 LYS 88 HB2 LYS 88 9.952 -6.733 -5.285 702 HB3 LYS 88 HB3 LYS 88 10.751 -5.930 -6.629 703 HG2 LYS 88 HG2 LYS 88 12.277 -4.798 -5.197 704 HG3 LYS 88 HG3 LYS 88 11.295 -5.124 -3.761 705 HD2 LYS 88 HD2 LYS 88 11.760 -7.558 -4.021 706 HD3 LYS 88 HD3 LYS 88 12.804 -7.202 -5.396 707 HE2 LYS 88 HE2 LYS 88 13.295 -6.100 -2.612 708 HE3 LYS 88 HE3 LYS 88 13.984 -7.619 -3.187 709 HZ1 LYS 88 HZ1 LYS 88 14.482 -4.907 -4.270 710 HZ2 LYS 88 HZ2 LYS 88 14.993 -6.323 -5.031 711 HZ3 LYS 88 HZ3 LYS 88 15.583 -5.932 -3.500 712 H GLU 89 H GLU 89 9.048 -4.014 -8.009 713 HA GLU 89 HA GLU 89 10.898 -1.832 -8.097 714 HB2 GLU 89 HB2 GLU 89 8.764 -2.505 -10.158 715 HB3 GLU 89 HB3 GLU 89 10.258 -1.609 -10.419 716 HG2 GLU 89 HG2 GLU 89 9.968 -4.569 -9.838 717 HG3 GLU 89 HG3 GLU 89 10.492 -3.828 -11.345 718 H MET 90 H MET 90 7.359 -2.132 -7.947 719 HA MET 90 HA MET 90 6.687 0.620 -8.035 720 HB2 MET 90 HB2 MET 90 5.221 -1.607 -6.582 721 HB3 MET 90 HB3 MET 90 4.538 -0.048 -7.011 722 HG2 MET 90 HG2 MET 90 4.928 -0.671 -9.438 723 HG3 MET 90 HG3 MET 90 5.313 -2.299 -8.871 724 HE1 MET 90 HE1 MET 90 1.834 -3.225 -7.100 725 HE2 MET 90 HE2 MET 90 3.152 -2.367 -6.301 726 HE3 MET 90 HE3 MET 90 3.498 -3.748 -7.344 727 H ALA 91 H ALA 91 7.713 -1.515 -5.424 728 HA ALA 91 HA ALA 91 7.200 0.140 -3.214 729 HB1 ALA 91 HB1 ALA 91 8.772 -1.289 -1.983 730 HB2 ALA 91 HB2 ALA 91 9.364 -1.964 -3.503 731 HB3 ALA 91 HB3 ALA 91 7.699 -2.260 -2.998 732 H LYS 92 H LYS 92 9.837 0.233 -5.591 733 HA LYS 92 HA LYS 92 11.611 1.961 -4.233 734 HB2 LYS 92 HB2 LYS 92 11.110 1.532 -7.191 735 HB3 LYS 92 HB3 LYS 92 12.145 2.853 -6.674 736 HG2 LYS 92 HG2 LYS 92 13.610 1.103 -7.196 737 HG3 LYS 92 HG3 LYS 92 13.539 1.133 -5.433 738 HD2 LYS 92 HD2 LYS 92 11.989 -0.773 -5.453 739 HD3 LYS 92 HD3 LYS 92 11.992 -0.770 -7.218 740 HE2 LYS 92 HE2 LYS 92 14.420 -1.290 -7.192 741 HE3 LYS 92 HE3 LYS 92 14.368 -1.338 -5.425 742 HZ1 LYS 92 HZ1 LYS 92 12.865 -3.118 -7.267 743 HZ2 LYS 92 HZ2 LYS 92 12.750 -3.139 -5.580 744 HZ3 LYS 92 HZ3 LYS 92 14.208 -3.545 -6.332 745 H LYS 93 H LYS 93 8.733 2.623 -6.227 746 HA LYS 93 HA LYS 93 8.942 5.444 -6.376 747 HB2 LYS 93 HB2 LYS 93 6.474 3.666 -6.354 748 HB3 LYS 93 HB3 LYS 93 6.430 5.380 -6.738 749 HG2 LYS 93 HG2 LYS 93 8.063 3.380 -8.315 750 HG3 LYS 93 HG3 LYS 93 6.384 3.772 -8.699 751 HD2 LYS 93 HD2 LYS 93 7.058 6.183 -8.967 752 HD3 LYS 93 HD3 LYS 93 8.729 5.706 -8.686 753 HE2 LYS 93 HE2 LYS 93 8.629 4.241 -10.692 754 HE3 LYS 93 HE3 LYS 93 6.972 4.781 -10.977 755 HZ1 LYS 93 HZ1 LYS 93 7.774 7.022 -11.283 756 HZ2 LYS 93 HZ2 LYS 93 8.597 5.984 -12.331 757 HZ3 LYS 93 HZ3 LYS 93 9.356 6.552 -10.934 758 H ALA 94 H ALA 94 7.267 3.336 -4.065 759 HA ALA 94 HA ALA 94 6.115 5.245 -2.375 760 HB1 ALA 94 HB1 ALA 94 7.101 2.468 -1.658 761 HB2 ALA 94 HB2 ALA 94 5.525 2.851 -2.353 762 HB3 ALA 94 HB3 ALA 94 5.940 3.429 -0.739 763 H GLU 95 H GLU 95 9.387 3.921 -2.440 764 HA GLU 95 HA GLU 95 10.352 5.122 -0.023 765 HB2 GLU 95 HB2 GLU 95 11.872 4.116 -2.471 766 HB3 GLU 95 HB3 GLU 95 12.627 4.605 -0.952 767 HG2 GLU 95 HG2 GLU 95 11.384 2.796 0.218 768 HG3 GLU 95 HG3 GLU 95 10.715 2.284 -1.335 769 H GLU 96 H GLU 96 10.486 6.015 -3.480 770 HA GLU 96 HA GLU 96 12.202 8.237 -3.239 771 HB2 GLU 96 HB2 GLU 96 10.112 7.660 -5.388 772 HB3 GLU 96 HB3 GLU 96 11.350 8.908 -5.507 773 HG2 GLU 96 HG2 GLU 96 11.730 5.913 -5.477 774 HG3 GLU 96 HG3 GLU 96 12.095 7.032 -6.785 775 H TRP 97 H TRP 97 8.694 7.959 -3.085 776 HA TRP 97 HA TRP 97 8.091 10.732 -2.944 777 HB2 TRP 97 HB2 TRP 97 6.489 8.347 -1.929 778 HB3 TRP 97 HB3 TRP 97 5.863 9.977 -2.132 779 HD1 TRP 97 HD1 TRP 97 7.305 10.401 -5.088 780 HE1 TRP 97 HE1 TRP 97 6.209 9.249 -7.105 781 HE3 TRP 97 HE3 TRP 97 4.569 6.846 -2.640 782 HZ2 TRP 97 HZ2 TRP 97 4.463 7.135 -7.616 783 HZ3 TRP 97 HZ3 TRP 97 3.212 5.284 -3.979 784 HH2 TRP 97 HH2 TRP 97 3.166 5.439 -6.413 785 H LEU 98 H LEU 98 8.627 8.197 -0.484 786 HA LEU 98 HA LEU 98 8.081 9.754 1.801 787 HB2 LEU 98 HB2 LEU 98 8.241 7.274 1.834 788 HB3 LEU 98 HB3 LEU 98 9.969 7.382 1.536 789 HG LEU 98 HG LEU 98 10.261 8.537 3.751 790 HD11 LEU 98 HD11 LEU 98 8.423 8.567 5.378 791 HD12 LEU 98 HD12 LEU 98 7.306 7.973 4.145 792 HD13 LEU 98 HD13 LEU 98 8.055 9.564 3.971 793 HD21 LEU 98 HD21 LEU 98 8.868 5.848 3.952 794 HD22 LEU 98 HD22 LEU 98 9.926 6.572 5.168 795 HD23 LEU 98 HD23 LEU 98 10.580 6.106 3.598 796 H GLN 99 H GLN 99 11.112 9.188 0.027 797 HA GLN 99 HA GLN 99 12.846 10.616 1.775 798 HB2 GLN 99 HB2 GLN 99 13.226 9.931 -1.181 799 HB3 GLN 99 HB3 GLN 99 14.501 10.472 -0.088 800 HG2 GLN 99 HG2 GLN 99 14.244 8.428 1.256 801 HG3 GLN 99 HG3 GLN 99 12.924 7.895 0.218 802 HE21 GLN 99 HE21 GLN 99 13.921 6.012 -0.490 803 HE22 GLN 99 HE22 GLN 99 15.329 6.000 -1.490 804 H ALA 100 H ALA 100 10.853 11.525 -0.962 805 HA ALA 100 HA ALA 100 11.818 14.182 -1.341 806 HB1 ALA 100 HB1 ALA 100 9.746 14.514 -2.642 807 HB2 ALA 100 HB2 ALA 100 9.109 12.985 -2.027 808 HB3 ALA 100 HB3 ALA 100 10.532 12.993 -3.071 809 H GLU 101 H GLU 101 9.221 12.745 0.605 810 HA GLU 101 HA GLU 101 8.155 15.230 1.579 811 HB2 GLU 101 HB2 GLU 101 7.758 12.353 2.500 812 HB3 GLU 101 HB3 GLU 101 6.868 13.727 3.147 813 HG2 GLU 101 HG2 GLU 101 6.789 12.694 0.305 814 HG3 GLU 101 HG3 GLU 101 5.521 12.542 1.515 815 H GLN 102 H GLN 102 10.631 13.013 2.659 816 HA GLN 102 HA GLN 102 10.872 14.228 5.307 817 HB2 GLN 102 HB2 GLN 102 12.424 11.977 3.948 818 HB3 GLN 102 HB3 GLN 102 12.762 12.552 5.575 819 HG2 GLN 102 HG2 GLN 102 10.082 11.415 4.722 820 HG3 GLN 102 HG3 GLN 102 11.370 10.455 5.442 821 HE21 GLN 102 HE21 GLN 102 9.919 9.897 7.127 822 HE22 GLN 102 HE22 GLN 102 9.580 10.988 8.421 823 H ASN 103 H ASN 103 11.234 16.336 4.378 824 HA ASN 103 HA ASN 103 13.717 16.938 3.008 825 HB2 ASN 103 HB2 ASN 103 11.632 18.268 2.628 826 HB3 ASN 103 HB3 ASN 103 11.692 18.834 4.296 827 HD21 ASN 103 HD21 ASN 103 11.801 21.000 3.560 828 HD22 ASN 103 HD22 ASN 103 13.243 21.660 2.873 829 H ASN 104 H ASN 104 15.605 17.264 3.970 830 HA ASN 104 HA ASN 104 17.271 17.481 5.450 831 HB2 ASN 104 HB2 ASN 104 15.263 18.690 7.401 832 HB3 ASN 104 HB3 ASN 104 17.014 18.740 7.565 833 HD21 ASN 104 HD21 ASN 104 15.106 20.917 7.455 834 HD22 ASN 104 HD22 ASN 104 15.583 21.921 6.131 Start of MODEL 13 1 H1 ALA 1 H1 ALA 1 -13.768 -14.577 -1.415 2 H2 ALA 1 H2 ALA 1 -13.195 -16.035 -0.780 3 H3 ALA 1 H3 ALA 1 -12.112 -14.901 -1.411 4 HA ALA 1 HA ALA 1 -13.820 -14.511 0.960 5 HB1 ALA 1 HB1 ALA 1 -10.823 -15.019 0.771 6 HB2 ALA 1 HB2 ALA 1 -12.030 -16.159 1.360 7 HB3 ALA 1 HB3 ALA 1 -11.717 -14.676 2.260 8 H ASP 2 H ASP 2 -14.463 -12.447 0.793 9 HA ASP 2 HA ASP 2 -12.595 -10.247 0.571 10 HB2 ASP 2 HB2 ASP 2 -13.554 -9.283 -1.514 11 HB3 ASP 2 HB3 ASP 2 -12.846 -10.863 -1.828 12 H GLU 3 H GLU 3 -14.549 -11.198 2.492 13 HA GLU 3 HA GLU 3 -16.998 -9.771 2.411 14 HB2 GLU 3 HB2 GLU 3 -16.614 -11.777 3.830 15 HB3 GLU 3 HB3 GLU 3 -15.495 -10.859 4.834 16 HG2 GLU 3 HG2 GLU 3 -17.335 -9.376 5.538 17 HG3 GLU 3 HG3 GLU 3 -18.461 -10.269 4.518 18 H ASN 4 H ASN 4 -14.160 -9.144 4.574 19 HA ASN 4 HA ASN 4 -14.977 -6.555 5.372 20 HB2 ASN 4 HB2 ASN 4 -13.290 -8.022 6.580 21 HB3 ASN 4 HB3 ASN 4 -12.109 -7.601 5.343 22 HD21 ASN 4 HD21 ASN 4 -10.756 -6.650 6.912 23 HD22 ASN 4 HD22 ASN 4 -11.106 -5.117 7.626 24 H ILE 5 H ILE 5 -13.049 -7.680 2.658 25 HA ILE 5 HA ILE 5 -12.011 -5.280 1.631 26 HB ILE 5 HB ILE 5 -12.838 -7.834 0.186 27 HG12 ILE 5 HG12 ILE 5 -10.109 -6.851 1.133 28 HG13 ILE 5 HG13 ILE 5 -11.049 -8.153 1.849 29 HG21 ILE 5 HG21 ILE 5 -12.820 -6.021 -1.461 30 HG22 ILE 5 HG22 ILE 5 -11.453 -7.100 -1.737 31 HG23 ILE 5 HG23 ILE 5 -11.200 -5.541 -0.951 32 HD11 ILE 5 HD11 ILE 5 -9.260 -9.056 0.545 33 HD12 ILE 5 HD12 ILE 5 -9.775 -8.154 -0.881 34 HD13 ILE 5 HD13 ILE 5 -10.795 -9.444 -0.234 35 H ALA 6 H ALA 6 -15.169 -6.852 1.160 36 HA ALA 6 HA ALA 6 -16.160 -5.325 -0.967 37 HB1 ALA 6 HB1 ALA 6 -18.384 -6.141 -0.319 38 HB2 ALA 6 HB2 ALA 6 -17.751 -6.664 1.245 39 HB3 ALA 6 HB3 ALA 6 -17.190 -7.438 -0.239 40 H LYS 7 H LYS 7 -16.191 -4.720 2.515 41 HA LYS 7 HA LYS 7 -17.831 -2.447 2.663 42 HB2 LYS 7 HB2 LYS 7 -17.130 -3.566 4.695 43 HB3 LYS 7 HB3 LYS 7 -15.428 -3.333 4.316 44 HG2 LYS 7 HG2 LYS 7 -15.672 -0.899 4.666 45 HG3 LYS 7 HG3 LYS 7 -17.387 -1.121 5.028 46 HD2 LYS 7 HD2 LYS 7 -16.818 -2.455 7.020 47 HD3 LYS 7 HD3 LYS 7 -15.099 -2.339 6.629 48 HE2 LYS 7 HE2 LYS 7 -16.906 0.002 7.337 49 HE3 LYS 7 HE3 LYS 7 -15.727 -0.754 8.411 50 HZ1 LYS 7 HZ1 LYS 7 -15.114 0.668 5.873 51 HZ2 LYS 7 HZ2 LYS 7 -13.974 -0.112 6.848 52 HZ3 LYS 7 HZ3 LYS 7 -14.810 1.229 7.437 53 H PHE 8 H PHE 8 -14.322 -2.722 2.088 54 HA PHE 8 HA PHE 8 -13.799 0.085 1.941 55 HB2 PHE 8 HB2 PHE 8 -12.082 -2.142 0.775 56 HB3 PHE 8 HB3 PHE 8 -11.549 -0.533 1.256 57 HD1 PHE 8 HD1 PHE 8 -12.590 -0.151 3.940 58 HD2 PHE 8 HD2 PHE 8 -11.051 -3.725 2.154 59 HE1 PHE 8 HE1 PHE 8 -12.017 -1.034 6.160 60 HE2 PHE 8 HE2 PHE 8 -10.491 -4.598 4.382 61 HZ PHE 8 HZ PHE 8 -10.980 -3.256 6.388 62 H GLU 9 H GLU 9 -14.671 -2.377 -0.400 63 HA GLU 9 HA GLU 9 -14.159 -1.001 -2.812 64 HB2 GLU 9 HB2 GLU 9 -16.168 -3.186 -2.125 65 HB3 GLU 9 HB3 GLU 9 -15.941 -2.588 -3.763 66 HG2 GLU 9 HG2 GLU 9 -13.787 -3.898 -2.076 67 HG3 GLU 9 HG3 GLU 9 -14.741 -4.708 -3.320 68 H LYS 10 H LYS 10 -17.136 -1.288 -0.849 69 HA LYS 10 HA LYS 10 -18.811 0.287 -2.509 70 HB2 LYS 10 HB2 LYS 10 -19.091 -0.265 0.483 71 HB3 LYS 10 HB3 LYS 10 -20.369 0.345 -0.564 72 HG2 LYS 10 HG2 LYS 10 -19.081 -2.390 -0.661 73 HG3 LYS 10 HG3 LYS 10 -20.721 -2.015 -0.140 74 HD2 LYS 10 HD2 LYS 10 -21.316 -1.359 -2.441 75 HD3 LYS 10 HD3 LYS 10 -19.651 -1.636 -2.968 76 HE2 LYS 10 HE2 LYS 10 -19.895 -4.043 -2.353 77 HE3 LYS 10 HE3 LYS 10 -21.586 -3.745 -1.937 78 HZ1 LYS 10 HZ1 LYS 10 -21.464 -4.608 -4.148 79 HZ2 LYS 10 HZ2 LYS 10 -20.335 -3.438 -4.611 80 HZ3 LYS 10 HZ3 LYS 10 -21.921 -2.984 -4.249 81 H ALA 11 H ALA 11 -16.871 1.047 0.343 82 HA ALA 11 HA ALA 11 -17.752 3.704 0.772 83 HB1 ALA 11 HB1 ALA 11 -15.812 3.869 2.282 84 HB2 ALA 11 HB2 ALA 11 -15.158 2.368 1.618 85 HB3 ALA 11 HB3 ALA 11 -16.677 2.349 2.516 86 H TYR 12 H TYR 12 -14.980 2.378 -1.022 87 HA TYR 12 HA TYR 12 -13.997 5.061 -1.702 88 HB2 TYR 12 HB2 TYR 12 -12.492 3.110 -0.928 89 HB3 TYR 12 HB3 TYR 12 -12.755 2.395 -2.511 90 HD1 TYR 12 HD2 TYR 12 -12.640 5.465 -3.782 91 HD2 TYR 12 HD1 TYR 12 -10.055 3.028 -1.393 92 HE1 TYR 12 HE2 TYR 12 -10.706 6.719 -4.607 93 HE2 TYR 12 HE1 TYR 12 -8.139 4.287 -2.216 94 HH TYR 12 HH TYR 12 -7.549 5.677 -4.249 95 H LYS 13 H LYS 13 -14.883 6.011 -3.447 96 HA LYS 13 HA LYS 13 -14.691 4.751 -6.035 97 HB2 LYS 13 HB2 LYS 13 -17.034 4.139 -5.016 98 HB3 LYS 13 HB3 LYS 13 -17.441 5.822 -5.281 99 HG2 LYS 13 HG2 LYS 13 -18.306 4.931 -7.213 100 HG3 LYS 13 HG3 LYS 13 -16.675 5.259 -7.787 101 HD2 LYS 13 HD2 LYS 13 -17.708 2.568 -6.806 102 HD3 LYS 13 HD3 LYS 13 -17.505 3.033 -8.489 103 HE2 LYS 13 HE2 LYS 13 -15.075 3.191 -8.180 104 HE3 LYS 13 HE3 LYS 13 -15.254 2.797 -6.468 105 HZ1 LYS 13 HZ1 LYS 13 -14.635 0.828 -7.618 106 HZ2 LYS 13 HZ2 LYS 13 -15.842 1.032 -8.781 107 HZ3 LYS 13 HZ3 LYS 13 -16.261 0.657 -7.190 108 H LYS 14 H LYS 14 -13.960 7.299 -4.276 109 HA LYS 14 HA LYS 14 -15.084 9.418 -6.027 110 HB2 LYS 14 HB2 LYS 14 -14.521 9.527 -3.039 111 HB3 LYS 14 HB3 LYS 14 -15.106 10.877 -4.009 112 HG2 LYS 14 HG2 LYS 14 -17.162 9.634 -4.528 113 HG3 LYS 14 HG3 LYS 14 -16.591 8.264 -3.569 114 HD2 LYS 14 HD2 LYS 14 -16.669 9.597 -1.527 115 HD3 LYS 14 HD3 LYS 14 -17.071 11.055 -2.444 116 HE2 LYS 14 HE2 LYS 14 -19.206 10.018 -3.139 117 HE3 LYS 14 HE3 LYS 14 -18.812 8.572 -2.202 118 HZ1 LYS 14 HZ1 LYS 14 -19.122 11.302 -1.081 119 HZ2 LYS 14 HZ2 LYS 14 -18.822 9.890 -0.201 120 HZ3 LYS 14 HZ3 LYS 14 -20.291 10.081 -1.011 121 H ALA 15 H ALA 15 -12.207 8.534 -4.076 122 HA ALA 15 HA ALA 15 -10.767 10.945 -4.738 123 HB1 ALA 15 HB1 ALA 15 -10.386 9.794 -2.596 124 HB2 ALA 15 HB2 ALA 15 -8.883 9.965 -3.505 125 HB3 ALA 15 HB3 ALA 15 -9.709 8.404 -3.445 126 H GLU 16 H GLU 16 -10.999 10.850 -6.993 127 HA GLU 16 HA GLU 16 -8.826 10.807 -8.473 128 HB2 GLU 16 HB2 GLU 16 -8.634 8.294 -8.253 129 HB3 GLU 16 HB3 GLU 16 -10.157 8.113 -9.117 130 HG2 GLU 16 HG2 GLU 16 -9.194 9.065 -11.131 131 HG3 GLU 16 HG3 GLU 16 -7.708 9.489 -10.284 132 H GLU 17 H GLU 17 -12.203 9.877 -8.443 133 HA GLU 17 HA GLU 17 -13.020 10.943 -10.962 134 HB2 GLU 17 HB2 GLU 17 -14.347 9.268 -9.687 135 HB3 GLU 17 HB3 GLU 17 -14.599 10.438 -8.397 136 HG2 GLU 17 HG2 GLU 17 -16.605 10.243 -9.770 137 HG3 GLU 17 HG3 GLU 17 -15.914 11.856 -9.912 138 H LEU 18 H LEU 18 -13.661 12.160 -7.660 139 HA LEU 18 HA LEU 18 -13.395 14.975 -8.553 140 HB2 LEU 18 HB2 LEU 18 -15.467 14.120 -7.291 141 HB3 LEU 18 HB3 LEU 18 -14.446 13.903 -5.889 142 HG LEU 18 HG LEU 18 -14.637 16.673 -7.138 143 HD11 LEU 18 HD11 LEU 18 -16.746 15.552 -5.262 144 HD12 LEU 18 HD12 LEU 18 -16.981 15.976 -6.957 145 HD13 LEU 18 HD13 LEU 18 -16.608 17.237 -5.785 146 HD21 LEU 18 HD21 LEU 18 -13.044 16.331 -5.276 147 HD22 LEU 18 HD22 LEU 18 -14.368 15.811 -4.234 148 HD23 LEU 18 HD23 LEU 18 -14.318 17.467 -4.844 149 H ASN 19 H ASN 19 -12.099 16.370 -7.071 150 HA ASN 19 HA ASN 19 -9.477 15.725 -6.730 151 HB2 ASN 19 HB2 ASN 19 -11.079 17.713 -5.060 152 HB3 ASN 19 HB3 ASN 19 -9.320 17.658 -5.122 153 HD21 ASN 19 HD21 ASN 19 -9.267 19.795 -5.858 154 HD22 ASN 19 HD22 ASN 19 -9.685 20.221 -7.478 155 H GLN 20 H GLN 20 -11.601 16.076 -3.842 156 HA GLN 20 HA GLN 20 -11.810 14.932 -1.897 157 HB2 GLN 20 HB2 GLN 20 -11.327 12.714 -3.914 158 HB3 GLN 20 HB3 GLN 20 -11.644 12.336 -2.226 159 HG2 GLN 20 HG2 GLN 20 -13.496 13.910 -4.029 160 HG3 GLN 20 HG3 GLN 20 -13.670 12.198 -3.641 161 HE21 GLN 20 HE21 GLN 20 -15.505 14.435 -3.124 162 HE22 GLN 20 HE22 GLN 20 -15.779 14.451 -1.420 163 H GLY 21 H GLY 21 -10.525 12.598 -0.852 164 HA2 GLY 21 HA2 GLY 21 -8.262 11.595 -1.015 165 HA3 GLY 21 HA3 GLY 21 -7.618 13.226 -0.927 166 H GLU 22 H GLU 22 -6.694 11.391 0.754 167 HA GLU 22 HA GLU 22 -6.236 10.761 2.849 168 HB2 GLU 22 HB2 GLU 22 -6.233 13.157 3.443 169 HB3 GLU 22 HB3 GLU 22 -7.969 13.091 3.749 170 HG2 GLU 22 HG2 GLU 22 -7.509 11.396 5.566 171 HG3 GLU 22 HG3 GLU 22 -5.786 11.666 5.316 172 H LEU 23 H LEU 23 -9.635 11.789 2.993 173 HA LEU 23 HA LEU 23 -10.921 9.974 4.529 174 HB2 LEU 23 HB2 LEU 23 -11.899 10.923 1.807 175 HB3 LEU 23 HB3 LEU 23 -12.919 10.329 3.112 176 HG LEU 23 HG LEU 23 -11.277 12.894 3.185 177 HD11 LEU 23 HD11 LEU 23 -13.432 14.071 3.085 178 HD12 LEU 23 HD12 LEU 23 -14.274 12.532 2.888 179 HD13 LEU 23 HD13 LEU 23 -13.153 13.094 1.644 180 HD21 LEU 23 HD21 LEU 23 -11.469 11.948 5.422 181 HD22 LEU 23 HD22 LEU 23 -13.219 11.794 5.246 182 HD23 LEU 23 HD23 LEU 23 -12.470 13.391 5.285 183 H MET 24 H MET 24 -9.832 9.469 1.231 184 HA MET 24 HA MET 24 -10.266 6.544 1.450 185 HB2 MET 24 HB2 MET 24 -10.526 8.365 -0.963 186 HB3 MET 24 HB3 MET 24 -10.392 6.621 -1.106 187 HG2 MET 24 HG2 MET 24 -12.532 6.251 -0.359 188 HG3 MET 24 HG3 MET 24 -12.545 7.670 0.687 189 HE1 MET 24 HE1 MET 24 -13.213 10.578 -1.761 190 HE2 MET 24 HE2 MET 24 -11.630 10.001 -1.238 191 HE3 MET 24 HE3 MET 24 -12.964 10.091 -0.083 192 H GLY 25 H GLY 25 -8.747 5.445 -0.240 193 HA2 GLY 25 HA2 GLY 25 -6.505 5.160 -1.023 194 HA3 GLY 25 HA3 GLY 25 -5.986 6.477 0.029 195 H ARG 26 H ARG 26 -7.174 5.859 2.383 196 HA ARG 26 HA ARG 26 -5.634 3.885 3.626 197 HB2 ARG 26 HB2 ARG 26 -6.917 5.874 4.694 198 HB3 ARG 26 HB3 ARG 26 -8.344 4.851 4.639 199 HG2 ARG 26 HG2 ARG 26 -7.448 4.717 6.854 200 HG3 ARG 26 HG3 ARG 26 -7.102 3.173 6.068 201 HD2 ARG 26 HD2 ARG 26 -5.191 3.985 7.393 202 HD3 ARG 26 HD3 ARG 26 -4.775 3.880 5.679 203 HE ARG 26 HE ARG 26 -5.610 6.467 6.025 204 HH11 ARG 26 HH11 ARG 26 -3.092 4.558 7.581 205 HH12 ARG 26 HH12 ARG 26 -2.089 5.938 7.902 206 HH21 ARG 26 HH21 ARG 26 -4.260 8.247 6.409 207 HH22 ARG 26 HH22 ARG 26 -2.748 8.023 7.237 208 H ALA 27 H ALA 27 -8.933 3.823 2.332 209 HA ALA 27 HA ALA 27 -9.792 1.275 3.027 210 HB1 ALA 27 HB1 ALA 27 -11.348 1.460 1.129 211 HB2 ALA 27 HB2 ALA 27 -10.404 2.802 0.474 212 HB3 ALA 27 HB3 ALA 27 -11.247 2.985 2.011 213 H LEU 28 H LEU 28 -7.847 2.302 0.185 214 HA LEU 28 HA LEU 28 -7.713 -0.230 -1.047 215 HB2 LEU 28 HB2 LEU 28 -6.038 2.258 -1.344 216 HB3 LEU 28 HB3 LEU 28 -5.573 0.780 -2.177 217 HG LEU 28 HG LEU 28 -8.219 2.235 -2.522 218 HD11 LEU 28 HD11 LEU 28 -5.926 2.028 -4.475 219 HD12 LEU 28 HD12 LEU 28 -6.323 3.455 -3.519 220 HD13 LEU 28 HD13 LEU 28 -7.460 2.864 -4.728 221 HD21 LEU 28 HD21 LEU 28 -8.652 0.677 -4.366 222 HD22 LEU 28 HD22 LEU 28 -8.512 -0.164 -2.827 223 HD23 LEU 28 HD23 LEU 28 -7.174 -0.207 -3.977 224 H TYR 29 H TYR 29 -5.473 1.462 1.134 225 HA TYR 29 HA TYR 29 -3.422 -0.379 1.447 226 HB2 TYR 29 HB2 TYR 29 -3.313 1.863 2.428 227 HB3 TYR 29 HB3 TYR 29 -4.677 1.522 3.480 228 HD1 TYR 29 HD2 TYR 29 -1.179 0.326 2.781 229 HD2 TYR 29 HD1 TYR 29 -4.229 0.862 5.725 230 HE1 TYR 29 HE2 TYR 29 0.403 -0.323 4.531 231 HE2 TYR 29 HE1 TYR 29 -2.644 0.191 7.480 232 HH TYR 29 HH TYR 29 -0.549 -1.068 7.711 233 H ASN 30 H ASN 30 -6.591 -0.260 3.032 234 HA ASN 30 HA ASN 30 -6.123 -2.426 4.838 235 HB2 ASN 30 HB2 ASN 30 -8.591 -0.838 4.087 236 HB3 ASN 30 HB3 ASN 30 -8.698 -2.234 5.153 237 HD21 ASN 30 HD21 ASN 30 -7.443 -2.183 7.131 238 HD22 ASN 30 HD22 ASN 30 -7.112 -0.667 7.894 239 H ILE 31 H ILE 31 -7.580 -2.243 1.589 240 HA ILE 31 HA ILE 31 -8.552 -4.924 1.443 241 HB ILE 31 HB ILE 31 -7.490 -3.153 -0.819 242 HG12 ILE 31 HG12 ILE 31 -10.403 -3.620 -0.055 243 HG13 ILE 31 HG13 ILE 31 -9.465 -2.253 0.526 244 HG21 ILE 31 HG21 ILE 31 -9.200 -5.666 -1.010 245 HG22 ILE 31 HG22 ILE 31 -7.525 -5.499 -1.543 246 HG23 ILE 31 HG23 ILE 31 -8.804 -4.600 -2.361 247 HD11 ILE 31 HD11 ILE 31 -10.116 -2.845 -2.354 248 HD12 ILE 31 HD12 ILE 31 -9.160 -1.481 -1.767 249 HD13 ILE 31 HD13 ILE 31 -10.862 -1.619 -1.327 250 H GLY 32 H GLY 32 -5.459 -3.373 0.788 251 HA2 GLY 32 HA2 GLY 32 -3.948 -5.527 -0.173 252 HA3 GLY 32 HA3 GLY 32 -3.318 -4.114 0.659 253 H LEU 33 H LEU 33 -4.588 -4.403 3.141 254 HA LEU 33 HA LEU 33 -2.899 -6.150 4.546 255 HB2 LEU 33 HB2 LEU 33 -5.576 -5.007 5.459 256 HB3 LEU 33 HB3 LEU 33 -4.368 -5.725 6.517 257 HG LEU 33 HG LEU 33 -4.079 -3.127 4.957 258 HD11 LEU 33 HD11 LEU 33 -4.032 -2.044 7.142 259 HD12 LEU 33 HD12 LEU 33 -4.288 -3.600 7.939 260 HD13 LEU 33 HD13 LEU 33 -5.540 -2.923 6.895 261 HD21 LEU 33 HD21 LEU 33 -1.917 -4.253 5.025 262 HD22 LEU 33 HD22 LEU 33 -2.044 -4.449 6.775 263 HD23 LEU 33 HD23 LEU 33 -1.917 -2.835 6.071 264 H GLU 34 H GLU 34 -6.228 -6.562 3.391 265 HA GLU 34 HA GLU 34 -6.727 -9.036 4.733 266 HB2 GLU 34 HB2 GLU 34 -8.218 -7.824 2.368 267 HB3 GLU 34 HB3 GLU 34 -8.798 -9.129 3.397 268 HG2 GLU 34 HG2 GLU 34 -8.392 -6.231 4.144 269 HG3 GLU 34 HG3 GLU 34 -9.911 -7.119 4.072 270 H LYS 35 H LYS 35 -5.638 -8.234 1.423 271 HA LYS 35 HA LYS 35 -5.791 -10.977 0.524 272 HB2 LYS 35 HB2 LYS 35 -4.543 -8.547 -0.802 273 HB3 LYS 35 HB3 LYS 35 -4.657 -10.144 -1.548 274 HG2 LYS 35 HG2 LYS 35 -7.204 -9.974 -1.123 275 HG3 LYS 35 HG3 LYS 35 -6.914 -8.259 -0.809 276 HD2 LYS 35 HD2 LYS 35 -5.938 -8.037 -3.090 277 HD3 LYS 35 HD3 LYS 35 -6.278 -9.745 -3.383 278 HE2 LYS 35 HE2 LYS 35 -8.697 -9.299 -3.099 279 HE3 LYS 35 HE3 LYS 35 -8.346 -7.591 -2.833 280 HZ1 LYS 35 HZ1 LYS 35 -9.041 -8.058 -5.113 281 HZ2 LYS 35 HZ2 LYS 35 -7.729 -9.097 -5.322 282 HZ3 LYS 35 HZ3 LYS 35 -7.464 -7.444 -5.075 283 H ASN 36 H ASN 36 -3.254 -8.885 1.813 284 HA ASN 36 HA ASN 36 -1.042 -10.668 1.436 285 HB2 ASN 36 HB2 ASN 36 -0.921 -8.159 2.020 286 HB3 ASN 36 HB3 ASN 36 -1.355 -8.595 3.669 287 HD21 ASN 36 HD21 ASN 36 0.612 -7.773 4.463 288 HD22 ASN 36 HD22 ASN 36 2.125 -8.561 4.210 289 H LYS 37 H LYS 37 -3.516 -10.263 3.875 290 HA LYS 37 HA LYS 37 -2.677 -12.095 5.874 291 HB2 LYS 37 HB2 LYS 37 -4.386 -10.309 6.149 292 HB3 LYS 37 HB3 LYS 37 -5.467 -11.161 5.062 293 HG2 LYS 37 HG2 LYS 37 -5.681 -12.993 6.717 294 HG3 LYS 37 HG3 LYS 37 -4.579 -12.141 7.803 295 HD2 LYS 37 HD2 LYS 37 -7.294 -11.115 6.856 296 HD3 LYS 37 HD3 LYS 37 -6.941 -11.752 8.461 297 HE2 LYS 37 HE2 LYS 37 -5.403 -9.881 8.890 298 HE3 LYS 37 HE3 LYS 37 -5.666 -9.263 7.259 299 HZ1 LYS 37 HZ1 LYS 37 -7.932 -8.782 7.791 300 HZ2 LYS 37 HZ2 LYS 37 -6.954 -8.097 8.988 301 HZ3 LYS 37 HZ3 LYS 37 -7.805 -9.522 9.305 302 H MET 38 H MET 38 -4.565 -12.464 2.896 303 HA MET 38 HA MET 38 -5.019 -15.337 3.319 304 HB2 MET 38 HB2 MET 38 -5.920 -13.457 1.098 305 HB3 MET 38 HB3 MET 38 -6.336 -15.165 1.176 306 HG2 MET 38 HG2 MET 38 -7.545 -14.792 3.280 307 HG3 MET 38 HG3 MET 38 -7.101 -13.086 3.248 308 HE1 MET 38 HE1 MET 38 -9.150 -11.781 0.153 309 HE2 MET 38 HE2 MET 38 -7.481 -12.345 0.118 310 HE3 MET 38 HE3 MET 38 -8.045 -11.338 1.453 311 H GLY 39 H GLY 39 -2.372 -13.709 2.404 312 HA2 GLY 39 HA2 GLY 39 -0.395 -14.829 1.826 313 HA3 GLY 39 HA3 GLY 39 -1.319 -16.082 1.019 314 H LYS 40 H LYS 40 -2.768 -13.583 -0.257 315 HA LYS 40 HA LYS 40 -1.200 -13.626 -2.706 316 HB2 LYS 40 HB2 LYS 40 -3.830 -12.185 -2.159 317 HB3 LYS 40 HB3 LYS 40 -3.152 -12.593 -3.735 318 HG2 LYS 40 HG2 LYS 40 -3.467 -15.005 -3.242 319 HG3 LYS 40 HG3 LYS 40 -4.144 -14.595 -1.665 320 HD2 LYS 40 HD2 LYS 40 -5.328 -13.843 -4.363 321 HD3 LYS 40 HD3 LYS 40 -5.917 -15.122 -3.303 322 HE2 LYS 40 HE2 LYS 40 -6.561 -13.486 -1.610 323 HE3 LYS 40 HE3 LYS 40 -5.842 -12.173 -2.555 324 HZ1 LYS 40 HZ1 LYS 40 -8.209 -12.216 -2.888 325 HZ2 LYS 40 HZ2 LYS 40 -8.173 -13.838 -3.353 326 HZ3 LYS 40 HZ3 LYS 40 -7.449 -12.666 -4.330 327 H ALA 41 H ALA 41 0.587 -12.498 -1.580 328 HA ALA 41 HA ALA 41 0.336 -9.827 -0.583 329 HB1 ALA 41 HB1 ALA 41 2.823 -11.442 -1.223 330 HB2 ALA 41 HB2 ALA 41 1.968 -11.421 0.319 331 HB3 ALA 41 HB3 ALA 41 2.767 -9.960 -0.263 332 H ARG 42 H ARG 42 0.767 -11.071 -3.766 333 HA ARG 42 HA ARG 42 2.175 -8.885 -4.957 334 HB2 ARG 42 HB2 ARG 42 2.199 -10.999 -6.078 335 HB3 ARG 42 HB3 ARG 42 0.441 -11.067 -6.142 336 HG2 ARG 42 HG2 ARG 42 0.301 -9.663 -7.967 337 HG3 ARG 42 HG3 ARG 42 1.679 -8.686 -7.460 338 HD2 ARG 42 HD2 ARG 42 2.248 -9.778 -9.470 339 HD3 ARG 42 HD3 ARG 42 3.179 -10.508 -8.180 340 HE ARG 42 HE ARG 42 1.134 -12.221 -8.364 341 HH11 ARG 42 HH11 ARG 42 3.194 -10.829 -10.870 342 HH12 ARG 42 HH12 ARG 42 3.045 -12.204 -11.917 343 HH21 ARG 42 HH21 ARG 42 0.966 -14.023 -9.770 344 HH22 ARG 42 HH22 ARG 42 1.791 -14.008 -11.302 345 H GLU 43 H GLU 43 -1.292 -9.828 -5.002 346 HA GLU 43 HA GLU 43 -2.335 -7.510 -6.212 347 HB2 GLU 43 HB2 GLU 43 -3.686 -9.304 -4.145 348 HB3 GLU 43 HB3 GLU 43 -4.512 -8.135 -5.171 349 HG2 GLU 43 HG2 GLU 43 -3.803 -9.445 -7.178 350 HG3 GLU 43 HG3 GLU 43 -3.071 -10.635 -6.099 351 H ALA 44 H ALA 44 -1.773 -8.368 -2.850 352 HA ALA 44 HA ALA 44 -2.782 -6.209 -1.453 353 HB1 ALA 44 HB1 ALA 44 -0.312 -7.854 -0.828 354 HB2 ALA 44 HB2 ALA 44 -1.972 -8.286 -0.420 355 HB3 ALA 44 HB3 ALA 44 -1.224 -6.875 0.329 356 H ALA 45 H ALA 45 0.439 -6.649 -2.884 357 HA ALA 45 HA ALA 45 1.658 -4.284 -2.009 358 HB1 ALA 45 HB1 ALA 45 2.254 -5.911 -4.508 359 HB2 ALA 45 HB2 ALA 45 2.910 -6.201 -2.893 360 HB3 ALA 45 HB3 ALA 45 3.331 -4.722 -3.756 361 H GLU 46 H GLU 46 -0.301 -4.951 -4.910 362 HA GLU 46 HA GLU 46 0.096 -2.485 -6.248 363 HB2 GLU 46 HB2 GLU 46 -0.810 -4.462 -7.399 364 HB3 GLU 46 HB3 GLU 46 -2.255 -4.420 -6.390 365 HG2 GLU 46 HG2 GLU 46 -2.834 -2.196 -7.370 366 HG3 GLU 46 HG3 GLU 46 -1.416 -2.313 -8.410 367 H TYR 47 H TYR 47 -2.233 -3.536 -3.806 368 HA TYR 47 HA TYR 47 -3.863 -1.183 -3.875 369 HB2 TYR 47 HB2 TYR 47 -3.600 -3.418 -1.828 370 HB3 TYR 47 HB3 TYR 47 -4.761 -2.104 -1.677 371 HD1 TYR 47 HD1 TYR 47 -6.165 -1.683 -3.953 372 HD2 TYR 47 HD2 TYR 47 -4.464 -5.405 -2.751 373 HE1 TYR 47 HE1 TYR 47 -7.788 -2.874 -5.344 374 HE2 TYR 47 HE2 TYR 47 -6.085 -6.591 -4.151 375 HH TYR 47 HH TYR 47 -8.012 -5.059 -6.468 376 H PHE 48 H PHE 48 -1.093 -2.188 -1.897 377 HA PHE 48 HA PHE 48 -1.053 0.026 -0.119 378 HB2 PHE 48 HB2 PHE 48 1.271 -1.684 -1.113 379 HB3 PHE 48 HB3 PHE 48 1.361 -0.562 0.238 380 HD1 PHE 48 HD1 PHE 48 -1.304 -1.223 1.542 381 HD2 PHE 48 HD2 PHE 48 1.796 -3.738 0.002 382 HE1 PHE 48 HE1 PHE 48 -1.950 -2.979 3.111 383 HE2 PHE 48 HE2 PHE 48 1.127 -5.514 1.573 384 HZ PHE 48 HZ PHE 48 -0.747 -5.140 3.130 385 H PHE 49 H PHE 49 0.327 -0.541 -3.325 386 HA PHE 49 HA PHE 49 1.875 1.807 -3.566 387 HB2 PHE 49 HB2 PHE 49 2.213 -0.112 -5.066 388 HB3 PHE 49 HB3 PHE 49 0.586 0.067 -5.722 389 HD1 PHE 49 HD2 PHE 49 3.728 2.056 -5.257 390 HD2 PHE 49 HD1 PHE 49 0.364 1.254 -7.772 391 HE1 PHE 49 HE2 PHE 49 4.588 3.608 -6.934 392 HE2 PHE 49 HE1 PHE 49 1.254 2.821 -9.450 393 HZ PHE 49 HZ PHE 49 3.388 3.997 -9.025 394 H ARG 50 H ARG 50 -1.419 1.052 -4.746 395 HA ARG 50 HA ARG 50 -2.066 3.540 -5.894 396 HB2 ARG 50 HB2 ARG 50 -3.892 1.444 -4.665 397 HB3 ARG 50 HB3 ARG 50 -4.459 2.808 -5.611 398 HG2 ARG 50 HG2 ARG 50 -3.372 1.914 -7.612 399 HG3 ARG 50 HG3 ARG 50 -2.714 0.566 -6.676 400 HD2 ARG 50 HD2 ARG 50 -5.010 -0.192 -6.147 401 HD3 ARG 50 HD3 ARG 50 -5.675 1.163 -7.061 402 HE ARG 50 HE ARG 50 -4.042 -0.267 -8.800 403 HH11 ARG 50 HH11 ARG 50 -6.995 -0.872 -6.965 404 HH12 ARG 50 HH12 ARG 50 -7.608 -2.031 -8.100 405 HH21 ARG 50 HH21 ARG 50 -4.862 -1.802 -10.277 406 HH22 ARG 50 HH22 ARG 50 -6.395 -2.556 -9.981 407 H ALA 51 H ALA 51 -2.448 2.282 -2.608 408 HA ALA 51 HA ALA 51 -3.908 4.362 -1.400 409 HB1 ALA 51 HB1 ALA 51 -2.985 3.494 0.730 410 HB2 ALA 51 HB2 ALA 51 -1.811 2.527 -0.172 411 HB3 ALA 51 HB3 ALA 51 -3.537 2.184 -0.315 412 H ALA 52 H ALA 52 -0.423 3.787 -1.717 413 HA ALA 52 HA ALA 52 0.540 6.005 -0.298 414 HB1 ALA 52 HB1 ALA 52 1.888 4.442 -2.531 415 HB2 ALA 52 HB2 ALA 52 1.900 4.022 -0.820 416 HB3 ALA 52 HB3 ALA 52 2.698 5.495 -1.362 417 H ILE 53 H ILE 53 -0.417 5.642 -3.694 418 HA ILE 53 HA ILE 53 0.522 8.052 -4.786 419 HB ILE 53 HB ILE 53 -2.012 6.472 -5.476 420 HG12 ILE 53 HG12 ILE 53 0.700 6.510 -6.880 421 HG13 ILE 53 HG13 ILE 53 0.145 5.232 -5.813 422 HG21 ILE 53 HG21 ILE 53 -0.718 8.693 -7.102 423 HG22 ILE 53 HG22 ILE 53 -2.287 8.765 -6.301 424 HG23 ILE 53 HG23 ILE 53 -2.042 7.663 -7.652 425 HD11 ILE 53 HD11 ILE 53 -1.070 5.987 -8.473 426 HD12 ILE 53 HD12 ILE 53 -1.676 4.729 -7.391 427 HD13 ILE 53 HD13 ILE 53 -0.078 4.571 -8.119 428 H VAL 54 H VAL 54 -2.567 7.318 -3.140 429 HA VAL 54 HA VAL 54 -3.739 9.901 -3.389 430 HB VAL 54 HB VAL 54 -4.428 7.747 -1.333 431 HG11 VAL 54 HG11 VAL 54 -6.122 10.039 -2.407 432 HG12 VAL 54 HG12 VAL 54 -5.458 9.911 -0.778 433 HG13 VAL 54 HG13 VAL 54 -6.696 8.773 -1.317 434 HG21 VAL 54 HG21 VAL 54 -5.550 8.122 -4.135 435 HG22 VAL 54 HG22 VAL 54 -6.106 6.933 -2.954 436 HG23 VAL 54 HG23 VAL 54 -4.475 6.822 -3.617 437 H PHE 55 H PHE 55 -1.845 8.327 -0.820 438 HA PHE 55 HA PHE 55 -2.086 10.490 1.052 439 HB2 PHE 55 HB2 PHE 55 -0.180 8.121 0.985 440 HB3 PHE 55 HB3 PHE 55 -0.294 9.263 2.324 441 HD1 PHE 55 HD1 PHE 55 -2.982 9.686 2.982 442 HD2 PHE 55 HD2 PHE 55 -1.254 6.086 1.433 443 HE1 PHE 55 HE1 PHE 55 -4.786 8.360 4.006 444 HE2 PHE 55 HE2 PHE 55 -3.062 4.783 2.456 445 HZ PHE 55 HZ PHE 55 -4.819 5.924 3.740 446 H TYR 56 H TYR 56 0.119 9.796 -1.565 447 HA TYR 56 HA TYR 56 2.220 11.586 -0.803 448 HB2 TYR 56 HB2 TYR 56 2.673 9.796 -2.397 449 HB3 TYR 56 HB3 TYR 56 1.451 10.407 -3.511 450 HD1 TYR 56 HD2 TYR 56 4.602 11.603 -1.794 451 HD2 TYR 56 HD1 TYR 56 2.219 11.685 -5.344 452 HE1 TYR 56 HE2 TYR 56 6.308 12.958 -2.911 453 HE2 TYR 56 HE1 TYR 56 3.918 13.053 -6.452 454 HH TYR 56 HH TYR 56 5.765 14.632 -5.773 455 H LYS 57 H LYS 57 -0.487 11.905 -3.133 456 HA LYS 57 HA LYS 57 -0.036 14.630 -3.785 457 HB2 LYS 57 HB2 LYS 57 -2.273 14.573 -4.836 458 HB3 LYS 57 HB3 LYS 57 -1.312 13.167 -5.263 459 HG2 LYS 57 HG2 LYS 57 -2.556 11.861 -3.497 460 HG3 LYS 57 HG3 LYS 57 -3.597 13.267 -3.275 461 HD2 LYS 57 HD2 LYS 57 -4.696 11.636 -4.722 462 HD3 LYS 57 HD3 LYS 57 -4.322 13.090 -5.650 463 HE2 LYS 57 HE2 LYS 57 -2.341 11.962 -6.598 464 HE3 LYS 57 HE3 LYS 57 -2.716 10.518 -5.657 465 HZ1 LYS 57 HZ1 LYS 57 -4.421 11.695 -7.784 466 HZ2 LYS 57 HZ2 LYS 57 -4.796 10.327 -6.871 467 HZ3 LYS 57 HZ3 LYS 57 -3.479 10.299 -7.924 468 H GLU 58 H GLU 58 -1.894 13.154 -1.147 469 HA GLU 58 HA GLU 58 -2.864 15.727 -0.159 470 HB2 GLU 58 HB2 GLU 58 -3.116 12.856 0.718 471 HB3 GLU 58 HB3 GLU 58 -3.286 14.079 1.968 472 HG2 GLU 58 HG2 GLU 58 -5.454 13.375 1.068 473 HG3 GLU 58 HG3 GLU 58 -5.154 15.089 0.809 474 H HIS 59 H HIS 59 0.070 14.096 -0.077 475 HA HIS 59 HA HIS 59 2.010 14.218 1.031 476 HB2 HIS 59 HB2 HIS 59 0.980 16.992 1.776 477 HB3 HIS 59 HB3 HIS 59 2.630 16.449 2.078 478 HD1 HIS 59 HD1 HIS 59 4.193 16.150 0.032 479 HD2 HIS 59 HD2 HIS 59 0.418 17.592 -0.928 480 HE1 HIS 59 HE1 HIS 59 4.362 16.949 -2.341 481 HE2 HIS 59 HE2 HIS 59 2.065 17.831 -2.897 482 H ASP 60 H ASP 60 -0.307 13.063 2.336 483 HA ASP 60 HA ASP 60 0.053 13.328 5.188 484 HB2 ASP 60 HB2 ASP 60 -2.146 12.681 4.130 485 HB3 ASP 60 HB3 ASP 60 -1.410 11.179 3.576 486 H THR 61 H THR 61 2.199 12.941 5.512 487 HA THR 61 HA THR 61 3.798 10.959 4.369 488 HB THR 61 HB THR 61 5.413 11.441 6.256 489 HG1 THR 61 HG1 THR 61 4.511 12.141 8.034 490 HG21 THR 61 HG21 THR 61 4.204 13.904 4.949 491 HG22 THR 61 HG22 THR 61 5.444 12.861 4.248 492 HG23 THR 61 HG23 THR 61 5.801 13.812 5.691 493 H ASP 62 H ASP 62 1.622 10.804 7.105 494 HA ASP 62 HA ASP 62 2.604 8.529 8.429 495 HB2 ASP 62 HB2 ASP 62 0.942 9.795 9.597 496 HB3 ASP 62 HB3 ASP 62 -0.178 9.739 8.240 497 H GLY 63 H GLY 63 -0.105 8.751 6.076 498 HA2 GLY 63 HA2 GLY 63 -0.521 5.929 5.930 499 HA3 GLY 63 HA3 GLY 63 -1.232 7.148 4.886 500 H LEU 64 H LEU 64 1.213 8.247 3.946 501 HA LEU 64 HA LEU 64 1.900 6.638 1.745 502 HB2 LEU 64 HB2 LEU 64 2.160 9.077 1.763 503 HB3 LEU 64 HB3 LEU 64 3.338 8.970 3.059 504 HG LEU 64 HG LEU 64 4.938 7.840 1.503 505 HD11 LEU 64 HD11 LEU 64 3.356 6.806 -0.046 506 HD12 LEU 64 HD12 LEU 64 4.543 7.792 -0.895 507 HD13 LEU 64 HD13 LEU 64 2.901 8.399 -0.665 508 HD21 LEU 64 HD21 LEU 64 5.516 9.813 0.184 509 HD22 LEU 64 HD22 LEU 64 5.064 10.257 1.827 510 HD23 LEU 64 HD23 LEU 64 3.926 10.513 0.501 511 H ARG 65 H ARG 65 3.515 7.200 4.870 512 HA ARG 65 HA ARG 65 5.767 5.505 4.383 513 HB2 ARG 65 HB2 ARG 65 5.780 7.393 6.028 514 HB3 ARG 65 HB3 ARG 65 4.659 6.495 7.047 515 HG2 ARG 65 HG2 ARG 65 6.321 4.783 7.476 516 HG3 ARG 65 HG3 ARG 65 7.427 5.495 6.301 517 HD2 ARG 65 HD2 ARG 65 7.518 7.563 7.738 518 HD3 ARG 65 HD3 ARG 65 6.546 6.709 8.940 519 HE ARG 65 HE ARG 65 8.416 5.030 8.977 520 HH11 ARG 65 HH11 ARG 65 9.080 8.399 8.134 521 HH12 ARG 65 HH12 ARG 65 10.733 8.319 8.672 522 HH21 ARG 65 HH21 ARG 65 10.563 4.945 9.662 523 HH22 ARG 65 HH22 ARG 65 11.570 6.356 9.539 524 H ARG 66 H ARG 66 2.564 5.032 5.872 525 HA ARG 66 HA ARG 66 2.943 2.466 6.992 526 HB2 ARG 66 HB2 ARG 66 0.422 3.704 5.800 527 HB3 ARG 66 HB3 ARG 66 0.431 2.186 6.688 528 HG2 ARG 66 HG2 ARG 66 1.160 4.904 7.804 529 HG3 ARG 66 HG3 ARG 66 -0.357 4.050 8.067 530 HD2 ARG 66 HD2 ARG 66 0.859 2.259 9.258 531 HD3 ARG 66 HD3 ARG 66 2.383 3.114 8.988 532 HE ARG 66 HE ARG 66 0.809 4.953 10.246 533 HH11 ARG 66 HH11 ARG 66 1.787 1.664 11.083 534 HH12 ARG 66 HH12 ARG 66 1.724 1.957 12.790 535 HH21 ARG 66 HH21 ARG 66 0.770 5.314 12.472 536 HH22 ARG 66 HH22 ARG 66 1.147 4.031 13.576 537 H ALA 67 H ALA 67 1.843 3.515 3.797 538 HA ALA 67 HA ALA 67 1.364 0.960 2.675 539 HB1 ALA 67 HB1 ALA 67 1.873 3.638 1.344 540 HB2 ALA 67 HB2 ALA 67 0.307 2.997 1.848 541 HB3 ALA 67 HB3 ALA 67 1.204 2.205 0.555 542 H ALA 68 H ALA 68 4.161 3.186 2.492 543 HA ALA 68 HA ALA 68 5.743 1.702 0.661 544 HB1 ALA 68 HB1 ALA 68 6.629 3.717 2.764 545 HB2 ALA 68 HB2 ALA 68 6.102 4.100 1.124 546 HB3 ALA 68 HB3 ALA 68 7.584 3.179 1.373 547 H LYS 69 H LYS 69 5.591 1.727 4.183 548 HA LYS 69 HA LYS 69 7.850 0.038 4.701 549 HB2 LYS 69 HB2 LYS 69 6.832 1.811 6.239 550 HB3 LYS 69 HB3 LYS 69 5.516 0.700 6.562 551 HG2 LYS 69 HG2 LYS 69 8.342 -0.199 7.077 552 HG3 LYS 69 HG3 LYS 69 7.591 0.926 8.209 553 HD2 LYS 69 HD2 LYS 69 5.792 -0.678 8.660 554 HD3 LYS 69 HD3 LYS 69 6.437 -1.787 7.444 555 HE2 LYS 69 HE2 LYS 69 8.481 -2.071 8.761 556 HE3 LYS 69 HE3 LYS 69 7.888 -0.925 9.967 557 HZ1 LYS 69 HZ1 LYS 69 7.571 -3.265 10.601 558 HZ2 LYS 69 HZ2 LYS 69 6.539 -3.478 9.277 559 HZ3 LYS 69 HZ3 LYS 69 6.117 -2.411 10.514 560 H SER 70 H SER 70 4.343 -0.429 4.441 561 HA SER 70 HA SER 70 4.283 -3.199 5.141 562 HB2 SER 70 HB2 SER 70 2.302 -1.653 5.339 563 HB3 SER 70 HB3 SER 70 2.195 -1.610 3.581 564 HG SER 70 HG SER 70 2.262 -4.144 4.187 565 H LEU 71 H LEU 71 4.704 -1.383 2.178 566 HA LEU 71 HA LEU 71 4.284 -3.363 0.244 567 HB2 LEU 71 HB2 LEU 71 5.550 -0.682 0.351 568 HB3 LEU 71 HB3 LEU 71 6.234 -1.718 -0.886 569 HG LEU 71 HG LEU 71 3.248 -1.217 -0.677 570 HD11 LEU 71 HD11 LEU 71 4.391 0.932 -1.000 571 HD12 LEU 71 HD12 LEU 71 3.420 0.463 -2.392 572 HD13 LEU 71 HD13 LEU 71 5.177 0.286 -2.442 573 HD21 LEU 71 HD21 LEU 71 4.979 -2.266 -2.938 574 HD22 LEU 71 HD22 LEU 71 3.240 -1.971 -3.021 575 HD23 LEU 71 HD23 LEU 71 3.865 -3.209 -1.938 576 H LYS 72 H LYS 72 7.339 -2.303 1.784 577 HA LYS 72 HA LYS 72 9.090 -4.041 0.463 578 HB2 LYS 72 HB2 LYS 72 9.830 -2.066 1.736 579 HB3 LYS 72 HB3 LYS 72 9.298 -2.807 3.243 580 HG2 LYS 72 HG2 LYS 72 11.005 -4.611 2.911 581 HG3 LYS 72 HG3 LYS 72 11.563 -3.772 1.465 582 HD2 LYS 72 HD2 LYS 72 13.014 -3.310 3.425 583 HD3 LYS 72 HD3 LYS 72 12.256 -1.838 2.811 584 HE2 LYS 72 HE2 LYS 72 10.600 -1.915 4.628 585 HE3 LYS 72 HE3 LYS 72 11.291 -3.431 5.214 586 HZ1 LYS 72 HZ1 LYS 72 12.067 -1.516 6.483 587 HZ2 LYS 72 HZ2 LYS 72 12.722 -0.832 5.088 588 HZ3 LYS 72 HZ3 LYS 72 13.350 -2.280 5.690 589 H GLU 73 H GLU 73 7.255 -4.482 3.471 590 HA GLU 73 HA GLU 73 8.311 -7.073 4.141 591 HB2 GLU 73 HB2 GLU 73 5.730 -5.747 5.051 592 HB3 GLU 73 HB3 GLU 73 6.492 -7.143 5.808 593 HG2 GLU 73 HG2 GLU 73 8.430 -5.771 6.435 594 HG3 GLU 73 HG3 GLU 73 7.712 -4.368 5.642 595 H ALA 74 H ALA 74 5.553 -5.895 2.268 596 HA ALA 74 HA ALA 74 4.230 -8.378 1.885 597 HB1 ALA 74 HB1 ALA 74 3.111 -6.236 1.407 598 HB2 ALA 74 HB2 ALA 74 3.090 -7.285 -0.010 599 HB3 ALA 74 HB3 ALA 74 4.222 -5.930 0.068 600 H ILE 75 H ILE 75 7.046 -6.884 0.339 601 HA ILE 75 HA ILE 75 7.090 -8.427 -2.054 602 HB ILE 75 HB ILE 75 9.497 -7.144 -0.687 603 HG12 ILE 75 HG12 ILE 75 7.981 -5.344 -1.008 604 HG13 ILE 75 HG13 ILE 75 9.064 -5.248 -2.386 605 HG21 ILE 75 HG21 ILE 75 9.106 -7.960 -3.590 606 HG22 ILE 75 HG22 ILE 75 10.156 -8.756 -2.416 607 HG23 ILE 75 HG23 ILE 75 10.511 -7.112 -2.942 608 HD11 ILE 75 HD11 ILE 75 6.835 -4.808 -3.093 609 HD12 ILE 75 HD12 ILE 75 6.233 -6.290 -2.359 610 HD13 ILE 75 HD13 ILE 75 7.308 -6.370 -3.759 611 H THR 76 H THR 76 8.914 -8.771 1.006 612 HA THR 76 HA THR 76 10.144 -11.255 0.340 613 HB THR 76 HB THR 76 11.037 -9.741 2.115 614 HG1 THR 76 HG1 THR 76 10.626 -12.462 2.444 615 HG21 THR 76 HG21 THR 76 10.071 -9.768 4.384 616 HG22 THR 76 HG22 THR 76 8.704 -10.719 3.798 617 HG23 THR 76 HG23 THR 76 8.942 -9.068 3.223 618 H ALA 77 H ALA 77 6.951 -10.440 1.308 619 HA ALA 77 HA ALA 77 6.208 -13.094 2.281 620 HB1 ALA 77 HB1 ALA 77 4.004 -12.071 2.639 621 HB2 ALA 77 HB2 ALA 77 4.544 -10.589 1.839 622 HB3 ALA 77 HB3 ALA 77 5.285 -11.097 3.358 623 H ILE 78 H ILE 78 6.274 -11.409 -0.772 624 HA ILE 78 HA ILE 78 4.157 -12.774 -2.107 625 HB ILE 78 HB ILE 78 6.689 -11.651 -3.427 626 HG12 ILE 78 HG12 ILE 78 3.988 -10.259 -3.132 627 HG13 ILE 78 HG13 ILE 78 5.390 -9.917 -2.133 628 HG21 ILE 78 HG21 ILE 78 3.966 -12.284 -4.643 629 HG22 ILE 78 HG22 ILE 78 5.442 -13.223 -4.879 630 HG23 ILE 78 HG23 ILE 78 5.337 -11.577 -5.503 631 HD11 ILE 78 HD11 ILE 78 5.098 -8.252 -3.874 632 HD12 ILE 78 HD12 ILE 78 5.241 -9.495 -5.118 633 HD13 ILE 78 HD13 ILE 78 6.618 -9.117 -4.076 634 HA PRO 79 HA PRO 79 6.402 -16.799 -2.236 635 HB2 PRO 79 HB2 PRO 79 4.332 -18.289 -3.247 636 HB3 PRO 79 HB3 PRO 79 4.372 -17.770 -1.550 637 HG2 PRO 79 HG2 PRO 79 2.896 -16.523 -3.854 638 HG3 PRO 79 HG3 PRO 79 2.305 -16.900 -2.218 639 HD2 PRO 79 HD2 PRO 79 3.091 -14.398 -2.907 640 HD3 PRO 79 HD3 PRO 79 3.335 -15.039 -1.266 641 H GLU 80 H GLU 80 4.885 -14.998 -4.738 642 HA GLU 80 HA GLU 80 5.647 -16.660 -6.991 643 HB2 GLU 80 HB2 GLU 80 4.404 -13.871 -6.988 644 HB3 GLU 80 HB3 GLU 80 4.370 -15.055 -8.293 645 HG2 GLU 80 HG2 GLU 80 2.936 -16.533 -6.971 646 HG3 GLU 80 HG3 GLU 80 3.044 -15.447 -5.593 647 H GLU 81 H GLU 81 7.599 -16.500 -7.926 648 HA GLU 81 HA GLU 81 9.612 -14.703 -7.045 649 HB2 GLU 81 HB2 GLU 81 9.621 -16.532 -9.483 650 HB3 GLU 81 HB3 GLU 81 11.043 -15.782 -8.754 651 HG2 GLU 81 HG2 GLU 81 10.649 -17.059 -6.662 652 HG3 GLU 81 HG3 GLU 81 9.230 -17.806 -7.388 653 H GLU 82 H GLU 82 7.928 -14.993 -10.175 654 HA GLU 82 HA GLU 82 8.941 -12.619 -11.364 655 HB2 GLU 82 HB2 GLU 82 7.995 -14.575 -12.611 656 HB3 GLU 82 HB3 GLU 82 6.392 -14.167 -12.012 657 HG2 GLU 82 HG2 GLU 82 6.463 -12.029 -13.238 658 HG3 GLU 82 HG3 GLU 82 8.091 -12.394 -13.808 659 H GLY 83 H GLY 83 6.469 -13.178 -9.014 660 HA2 GLY 83 HA2 GLY 83 4.974 -10.753 -9.339 661 HA3 GLY 83 HA3 GLY 83 4.964 -11.816 -7.936 662 H ARG 84 H ARG 84 7.938 -11.569 -7.614 663 HA ARG 84 HA ARG 84 8.105 -8.999 -6.260 664 HB2 ARG 84 HB2 ARG 84 10.191 -11.180 -6.678 665 HB3 ARG 84 HB3 ARG 84 10.450 -9.729 -5.709 666 HG2 ARG 84 HG2 ARG 84 8.576 -10.417 -4.221 667 HG3 ARG 84 HG3 ARG 84 8.401 -11.904 -5.159 668 HD2 ARG 84 HD2 ARG 84 10.890 -11.072 -3.629 669 HD3 ARG 84 HD3 ARG 84 9.695 -12.237 -3.063 670 HE ARG 84 HE ARG 84 11.673 -12.620 -5.197 671 HH11 ARG 84 HH11 ARG 84 8.987 -14.009 -3.365 672 HH12 ARG 84 HH12 ARG 84 9.356 -15.635 -3.847 673 HH21 ARG 84 HH21 ARG 84 12.147 -14.762 -5.771 674 HH22 ARG 84 HH22 ARG 84 11.141 -16.062 -5.206 675 H LYS 85 H LYS 85 8.772 -10.209 -9.388 676 HA LYS 85 HA LYS 85 10.661 -8.133 -10.190 677 HB2 LYS 85 HB2 LYS 85 10.772 -10.530 -11.031 678 HB3 LYS 85 HB3 LYS 85 9.269 -10.251 -11.903 679 HG2 LYS 85 HG2 LYS 85 10.462 -8.389 -13.162 680 HG3 LYS 85 HG3 LYS 85 11.956 -8.919 -12.386 681 HD2 LYS 85 HD2 LYS 85 11.781 -11.116 -13.466 682 HD3 LYS 85 HD3 LYS 85 10.217 -10.678 -14.162 683 HE2 LYS 85 HE2 LYS 85 12.864 -9.318 -14.792 684 HE3 LYS 85 HE3 LYS 85 12.042 -10.493 -15.820 685 HZ1 LYS 85 HZ1 LYS 85 10.173 -8.953 -16.003 686 HZ2 LYS 85 HZ2 LYS 85 11.603 -8.251 -16.559 687 HZ3 LYS 85 HZ3 LYS 85 10.989 -7.823 -15.048 688 H GLU 86 H GLU 86 8.361 -6.992 -9.204 689 HA GLU 86 HA GLU 86 7.527 -5.217 -11.218 690 HB2 GLU 86 HB2 GLU 86 5.069 -5.784 -11.311 691 HB3 GLU 86 HB3 GLU 86 6.093 -6.991 -12.077 692 HG2 GLU 86 HG2 GLU 86 5.853 -8.489 -10.184 693 HG3 GLU 86 HG3 GLU 86 4.960 -7.266 -9.282 694 H ALA 87 H ALA 87 6.500 -6.771 -8.184 695 HA ALA 87 HA ALA 87 5.100 -4.460 -7.226 696 HB1 ALA 87 HB1 ALA 87 4.625 -5.840 -5.254 697 HB2 ALA 87 HB2 ALA 87 5.760 -7.063 -5.827 698 HB3 ALA 87 HB3 ALA 87 4.294 -6.721 -6.748 699 H LYS 88 H LYS 88 8.325 -5.806 -6.784 700 HA LYS 88 HA LYS 88 8.986 -4.346 -4.436 701 HB2 LYS 88 HB2 LYS 88 10.226 -6.382 -5.178 702 HB3 LYS 88 HB3 LYS 88 10.937 -5.443 -6.490 703 HG2 LYS 88 HG2 LYS 88 12.154 -4.047 -4.969 704 HG3 LYS 88 HG3 LYS 88 11.223 -4.616 -3.582 705 HD2 LYS 88 HD2 LYS 88 12.243 -6.865 -3.849 706 HD3 LYS 88 HD3 LYS 88 13.210 -6.255 -5.192 707 HE2 LYS 88 HE2 LYS 88 14.269 -4.616 -3.626 708 HE3 LYS 88 HE3 LYS 88 13.358 -5.340 -2.300 709 HZ1 LYS 88 HZ1 LYS 88 14.480 -7.438 -2.721 710 HZ2 LYS 88 HZ2 LYS 88 15.608 -6.217 -2.419 711 HZ3 LYS 88 HZ3 LYS 88 15.349 -6.753 -4.000 712 H GLU 89 H GLU 89 9.072 -3.647 -7.852 713 HA GLU 89 HA GLU 89 10.542 -1.216 -7.840 714 HB2 GLU 89 HB2 GLU 89 8.345 -2.087 -9.763 715 HB3 GLU 89 HB3 GLU 89 9.558 -0.845 -10.065 716 HG2 GLU 89 HG2 GLU 89 11.340 -2.555 -9.967 717 HG3 GLU 89 HG3 GLU 89 10.125 -3.798 -9.658 718 H MET 90 H MET 90 7.159 -2.025 -7.295 719 HA MET 90 HA MET 90 6.164 0.669 -7.089 720 HB2 MET 90 HB2 MET 90 4.920 -1.911 -6.046 721 HB3 MET 90 HB3 MET 90 4.091 -0.373 -6.256 722 HG2 MET 90 HG2 MET 90 4.645 -0.566 -8.734 723 HG3 MET 90 HG3 MET 90 5.126 -2.228 -8.399 724 HE1 MET 90 HE1 MET 90 2.876 -2.953 -6.083 725 HE2 MET 90 HE2 MET 90 3.388 -4.058 -7.361 726 HE3 MET 90 HE3 MET 90 1.676 -3.723 -7.119 727 H ALA 91 H ALA 91 7.392 -1.762 -4.848 728 HA ALA 91 HA ALA 91 6.877 -0.520 -2.382 729 HB1 ALA 91 HB1 ALA 91 8.676 -1.964 -1.494 730 HB2 ALA 91 HB2 ALA 91 9.185 -2.340 -3.141 731 HB3 ALA 91 HB3 ALA 91 7.602 -2.863 -2.569 732 H LYS 92 H LYS 92 9.561 -0.251 -4.661 733 HA LYS 92 HA LYS 92 11.077 1.628 -3.150 734 HB2 LYS 92 HB2 LYS 92 11.219 0.621 -6.001 735 HB3 LYS 92 HB3 LYS 92 12.201 1.996 -5.509 736 HG2 LYS 92 HG2 LYS 92 12.296 -0.776 -4.267 737 HG3 LYS 92 HG3 LYS 92 13.479 -0.095 -5.390 738 HD2 LYS 92 HD2 LYS 92 13.974 1.713 -3.726 739 HD3 LYS 92 HD3 LYS 92 12.852 0.954 -2.595 740 HE2 LYS 92 HE2 LYS 92 15.128 0.358 -2.003 741 HE3 LYS 92 HE3 LYS 92 14.303 -1.086 -2.596 742 HZ1 LYS 92 HZ1 LYS 92 15.394 -0.770 -4.733 743 HZ2 LYS 92 HZ2 LYS 92 16.534 -0.891 -3.492 744 HZ3 LYS 92 HZ3 LYS 92 16.170 0.616 -4.160 745 H LYS 93 H LYS 93 8.648 1.943 -5.755 746 HA LYS 93 HA LYS 93 8.889 4.679 -6.329 747 HB2 LYS 93 HB2 LYS 93 6.686 2.650 -6.594 748 HB3 LYS 93 HB3 LYS 93 6.193 4.330 -6.703 749 HG2 LYS 93 HG2 LYS 93 8.372 3.158 -8.455 750 HG3 LYS 93 HG3 LYS 93 6.661 3.137 -8.897 751 HD2 LYS 93 HD2 LYS 93 6.566 5.580 -8.852 752 HD3 LYS 93 HD3 LYS 93 8.221 5.665 -8.268 753 HE2 LYS 93 HE2 LYS 93 7.356 4.617 -10.985 754 HE3 LYS 93 HE3 LYS 93 8.109 6.180 -10.664 755 HZ1 LYS 93 HZ1 LYS 93 10.080 5.023 -9.865 756 HZ2 LYS 93 HZ2 LYS 93 9.726 4.587 -11.460 757 HZ3 LYS 93 HZ3 LYS 93 9.359 3.530 -10.195 758 H ALA 94 H ALA 94 6.785 3.101 -3.903 759 HA ALA 94 HA ALA 94 5.688 5.488 -2.812 760 HB1 ALA 94 HB1 ALA 94 5.867 2.737 -1.562 761 HB2 ALA 94 HB2 ALA 94 4.571 3.315 -2.609 762 HB3 ALA 94 HB3 ALA 94 4.818 4.056 -1.027 763 H GLU 95 H GLU 95 8.563 3.614 -2.081 764 HA GLU 95 HA GLU 95 9.223 4.901 0.385 765 HB2 GLU 95 HB2 GLU 95 10.056 2.592 -0.775 766 HB3 GLU 95 HB3 GLU 95 11.379 3.620 -1.296 767 HG2 GLU 95 HG2 GLU 95 10.535 3.079 1.565 768 HG3 GLU 95 HG3 GLU 95 11.928 2.389 0.750 769 H GLU 96 H GLU 96 9.960 5.491 -3.018 770 HA GLU 96 HA GLU 96 11.939 7.526 -2.651 771 HB2 GLU 96 HB2 GLU 96 10.185 6.823 -5.043 772 HB3 GLU 96 HB3 GLU 96 11.426 8.065 -5.093 773 HG2 GLU 96 HG2 GLU 96 11.931 5.132 -4.544 774 HG3 GLU 96 HG3 GLU 96 12.120 5.913 -6.108 775 H TRP 97 H TRP 97 8.421 7.476 -2.923 776 HA TRP 97 HA TRP 97 7.996 10.295 -2.993 777 HB2 TRP 97 HB2 TRP 97 6.166 8.055 -2.037 778 HB3 TRP 97 HB3 TRP 97 5.663 9.732 -2.210 779 HD1 TRP 97 HD1 TRP 97 7.295 10.058 -5.098 780 HE1 TRP 97 HE1 TRP 97 6.172 9.065 -7.181 781 HE3 TRP 97 HE3 TRP 97 4.008 6.867 -2.837 782 HZ2 TRP 97 HZ2 TRP 97 4.186 7.186 -7.800 783 HZ3 TRP 97 HZ3 TRP 97 2.518 5.517 -4.254 784 HH2 TRP 97 HH2 TRP 97 2.611 5.684 -6.685 785 H LEU 98 H LEU 98 8.307 7.911 -0.373 786 HA LEU 98 HA LEU 98 7.763 9.631 1.800 787 HB2 LEU 98 HB2 LEU 98 7.831 7.140 1.981 788 HB3 LEU 98 HB3 LEU 98 9.571 7.181 1.738 789 HG LEU 98 HG LEU 98 9.825 8.467 3.877 790 HD11 LEU 98 HD11 LEU 98 7.670 9.591 3.950 791 HD12 LEU 98 HD12 LEU 98 7.938 8.672 5.429 792 HD13 LEU 98 HD13 LEU 98 6.841 8.050 4.195 793 HD21 LEU 98 HD21 LEU 98 9.377 6.616 5.413 794 HD22 LEU 98 HD22 LEU 98 10.067 6.024 3.903 795 HD23 LEU 98 HD23 LEU 98 8.337 5.842 4.212 796 H GLN 99 H GLN 99 10.785 8.794 0.113 797 HA GLN 99 HA GLN 99 12.560 10.362 1.690 798 HB2 GLN 99 HB2 GLN 99 12.820 9.347 -1.177 799 HB3 GLN 99 HB3 GLN 99 14.132 10.091 -0.270 800 HG2 GLN 99 HG2 GLN 99 12.719 7.517 0.488 801 HG3 GLN 99 HG3 GLN 99 14.293 7.630 -0.290 802 HE21 GLN 99 HE21 GLN 99 13.472 6.463 2.309 803 HE22 GLN 99 HE22 GLN 99 14.472 7.226 3.499 804 H ALA 100 H ALA 100 10.516 11.085 -1.076 805 HA ALA 100 HA ALA 100 11.532 13.652 -1.743 806 HB1 ALA 100 HB1 ALA 100 9.398 13.967 -2.947 807 HB2 ALA 100 HB2 ALA 100 8.727 12.537 -2.154 808 HB3 ALA 100 HB3 ALA 100 10.084 12.374 -3.270 809 H GLU 101 H GLU 101 8.962 12.562 0.465 810 HA GLU 101 HA GLU 101 8.062 15.107 1.342 811 HB2 GLU 101 HB2 GLU 101 7.957 12.392 2.728 812 HB3 GLU 101 HB3 GLU 101 7.069 13.816 3.256 813 HG2 GLU 101 HG2 GLU 101 6.706 12.390 0.614 814 HG3 GLU 101 HG3 GLU 101 5.657 12.236 2.019 815 H GLN 102 H GLN 102 10.365 12.773 2.740 816 HA GLN 102 HA GLN 102 11.066 14.205 5.064 817 HB2 GLN 102 HB2 GLN 102 12.676 12.148 3.488 818 HB3 GLN 102 HB3 GLN 102 13.102 12.717 5.095 819 HG2 GLN 102 HG2 GLN 102 10.500 11.295 4.474 820 HG3 GLN 102 HG3 GLN 102 11.963 10.462 4.981 821 HE21 GLN 102 HE21 GLN 102 11.028 9.647 6.837 822 HE22 GLN 102 HE22 GLN 102 10.621 10.627 8.203 823 H ASN 103 H ASN 103 11.845 16.209 5.015 824 HA ASN 103 HA ASN 103 14.248 16.893 3.494 825 HB2 ASN 103 HB2 ASN 103 12.341 17.494 1.983 826 HB3 ASN 103 HB3 ASN 103 11.653 18.504 3.247 827 HD21 ASN 103 HD21 ASN 103 14.306 18.163 0.977 828 HD22 ASN 103 HD22 ASN 103 14.799 19.818 1.012 829 H ASN 104 H ASN 104 15.503 17.447 5.134 830 HA ASN 104 HA ASN 104 16.444 18.445 6.909 831 HB2 ASN 104 HB2 ASN 104 15.813 20.557 5.784 832 HB3 ASN 104 HB3 ASN 104 14.241 20.522 6.575 833 HD21 ASN 104 HD21 ASN 104 14.092 21.129 8.757 834 HD22 ASN 104 HD22 ASN 104 15.397 21.891 9.596 Start of MODEL 14 1 H1 ALA 1 H1 ALA 1 -10.085 -14.286 -0.747 2 H2 ALA 1 H2 ALA 1 -11.228 -14.730 -1.909 3 H3 ALA 1 H3 ALA 1 -10.761 -15.834 -0.718 4 HA ALA 1 HA ALA 1 -12.936 -14.900 -0.243 5 HB1 ALA 1 HB1 ALA 1 -12.442 -14.236 2.091 6 HB2 ALA 1 HB2 ALA 1 -10.740 -14.032 1.672 7 HB3 ALA 1 HB3 ALA 1 -11.476 -15.633 1.607 8 H ASP 2 H ASP 2 -14.015 -13.239 -1.226 9 HA ASP 2 HA ASP 2 -13.117 -10.452 -0.835 10 HB2 ASP 2 HB2 ASP 2 -13.914 -11.672 -3.522 11 HB3 ASP 2 HB3 ASP 2 -13.778 -9.943 -3.237 12 H GLU 3 H GLU 3 -14.882 -11.039 0.830 13 HA GLU 3 HA GLU 3 -17.496 -10.065 -0.208 14 HB2 GLU 3 HB2 GLU 3 -16.930 -11.533 2.421 15 HB3 GLU 3 HB3 GLU 3 -18.510 -10.975 1.873 16 HG2 GLU 3 HG2 GLU 3 -18.395 -12.545 -0.044 17 HG3 GLU 3 HG3 GLU 3 -16.823 -13.108 0.523 18 H ASN 4 H ASN 4 -15.352 -9.946 2.652 19 HA ASN 4 HA ASN 4 -16.273 -7.441 3.649 20 HB2 ASN 4 HB2 ASN 4 -13.671 -8.941 4.226 21 HB3 ASN 4 HB3 ASN 4 -14.291 -7.586 5.166 22 HD21 ASN 4 HD21 ASN 4 -14.351 -8.865 7.044 23 HD22 ASN 4 HD22 ASN 4 -15.550 -10.084 7.291 24 H ILE 5 H ILE 5 -13.501 -8.447 1.725 25 HA ILE 5 HA ILE 5 -12.180 -6.012 1.284 26 HB ILE 5 HB ILE 5 -12.362 -8.587 -0.343 27 HG12 ILE 5 HG12 ILE 5 -10.129 -7.445 1.397 28 HG13 ILE 5 HG13 ILE 5 -11.231 -8.734 1.867 29 HG21 ILE 5 HG21 ILE 5 -10.429 -7.829 -1.694 30 HG22 ILE 5 HG22 ILE 5 -10.538 -6.243 -0.934 31 HG23 ILE 5 HG23 ILE 5 -11.855 -6.818 -1.951 32 HD11 ILE 5 HD11 ILE 5 -9.179 -8.861 -0.333 33 HD12 ILE 5 HD12 ILE 5 -10.310 -10.145 0.093 34 HD13 ILE 5 HD13 ILE 5 -9.090 -9.626 1.254 35 H ALA 6 H ALA 6 -14.719 -7.661 -0.594 36 HA ALA 6 HA ALA 6 -14.986 -5.879 -2.735 37 HB1 ALA 6 HB1 ALA 6 -17.117 -7.641 -1.479 38 HB2 ALA 6 HB2 ALA 6 -15.966 -8.136 -2.721 39 HB3 ALA 6 HB3 ALA 6 -17.191 -6.923 -3.096 40 H LYS 7 H LYS 7 -16.380 -5.820 0.508 41 HA LYS 7 HA LYS 7 -18.256 -3.712 0.156 42 HB2 LYS 7 HB2 LYS 7 -18.344 -5.346 2.036 43 HB3 LYS 7 HB3 LYS 7 -16.851 -4.682 2.688 44 HG2 LYS 7 HG2 LYS 7 -18.729 -3.835 3.966 45 HG3 LYS 7 HG3 LYS 7 -18.007 -2.505 3.057 46 HD2 LYS 7 HD2 LYS 7 -19.799 -2.679 1.362 47 HD3 LYS 7 HD3 LYS 7 -20.515 -4.034 2.240 48 HE2 LYS 7 HE2 LYS 7 -20.223 -1.209 3.322 49 HE3 LYS 7 HE3 LYS 7 -21.700 -1.895 2.648 50 HZ1 LYS 7 HZ1 LYS 7 -21.706 -1.983 5.047 51 HZ2 LYS 7 HZ2 LYS 7 -20.285 -2.893 5.054 52 HZ3 LYS 7 HZ3 LYS 7 -21.698 -3.543 4.403 53 H PHE 8 H PHE 8 -14.840 -3.786 1.194 54 HA PHE 8 HA PHE 8 -14.648 -1.025 1.905 55 HB2 PHE 8 HB2 PHE 8 -12.403 -2.932 1.140 56 HB3 PHE 8 HB3 PHE 8 -12.199 -1.386 1.953 57 HD1 PHE 8 HD1 PHE 8 -14.410 -1.570 4.008 58 HD2 PHE 8 HD2 PHE 8 -11.527 -4.466 2.719 59 HE1 PHE 8 HE1 PHE 8 -14.541 -2.689 6.194 60 HE2 PHE 8 HE2 PHE 8 -11.677 -5.581 4.909 61 HZ PHE 8 HZ PHE 8 -13.184 -4.694 6.645 62 H GLU 9 H GLU 9 -13.999 -2.828 -1.079 63 HA GLU 9 HA GLU 9 -12.922 -0.640 -2.599 64 HB2 GLU 9 HB2 GLU 9 -14.167 -3.247 -3.578 65 HB3 GLU 9 HB3 GLU 9 -13.237 -2.121 -4.566 66 HG2 GLU 9 HG2 GLU 9 -11.235 -2.542 -3.202 67 HG3 GLU 9 HG3 GLU 9 -12.157 -3.640 -2.177 68 H LYS 10 H LYS 10 -16.145 -1.847 -1.965 69 HA LYS 10 HA LYS 10 -17.528 -0.235 -3.901 70 HB2 LYS 10 HB2 LYS 10 -18.541 -2.280 -2.980 71 HB3 LYS 10 HB3 LYS 10 -18.506 -1.607 -1.353 72 HG2 LYS 10 HG2 LYS 10 -20.121 0.132 -2.024 73 HG3 LYS 10 HG3 LYS 10 -20.147 -0.504 -3.667 74 HD2 LYS 10 HD2 LYS 10 -21.029 -2.044 -1.193 75 HD3 LYS 10 HD3 LYS 10 -22.120 -1.202 -2.294 76 HE2 LYS 10 HE2 LYS 10 -21.318 -2.685 -4.147 77 HE3 LYS 10 HE3 LYS 10 -20.347 -3.574 -2.968 78 HZ1 LYS 10 HZ1 LYS 10 -22.426 -4.694 -3.341 79 HZ2 LYS 10 HZ2 LYS 10 -23.303 -3.302 -2.969 80 HZ3 LYS 10 HZ3 LYS 10 -22.410 -4.084 -1.766 81 H ALA 11 H ALA 11 -16.488 0.170 -0.557 82 HA ALA 11 HA ALA 11 -17.880 2.638 -0.035 83 HB1 ALA 11 HB1 ALA 11 -17.207 1.109 1.772 84 HB2 ALA 11 HB2 ALA 11 -16.510 2.711 2.011 85 HB3 ALA 11 HB3 ALA 11 -15.505 1.392 1.400 86 H TYR 12 H TYR 12 -14.739 1.742 -1.293 87 HA TYR 12 HA TYR 12 -13.667 4.447 -1.322 88 HB2 TYR 12 HB2 TYR 12 -12.277 2.275 -1.032 89 HB3 TYR 12 HB3 TYR 12 -12.531 1.980 -2.747 90 HD1 TYR 12 HD1 TYR 12 -11.871 4.177 -4.291 91 HD2 TYR 12 HD2 TYR 12 -10.243 3.283 -0.448 92 HE1 TYR 12 HE1 TYR 12 -9.925 5.583 -4.779 93 HE2 TYR 12 HE2 TYR 12 -8.305 4.688 -0.959 94 HH TYR 12 HH TYR 12 -8.177 6.720 -3.746 95 H LYS 13 H LYS 13 -14.206 5.876 -2.932 96 HA LYS 13 HA LYS 13 -15.456 5.002 -5.397 97 HB2 LYS 13 HB2 LYS 13 -14.631 7.801 -4.509 98 HB3 LYS 13 HB3 LYS 13 -15.588 7.427 -5.941 99 HG2 LYS 13 HG2 LYS 13 -17.339 6.431 -4.455 100 HG3 LYS 13 HG3 LYS 13 -16.397 6.956 -3.055 101 HD2 LYS 13 HD2 LYS 13 -16.641 9.315 -3.779 102 HD3 LYS 13 HD3 LYS 13 -17.567 8.787 -5.188 103 HE2 LYS 13 HE2 LYS 13 -19.288 7.831 -3.652 104 HE3 LYS 13 HE3 LYS 13 -18.377 8.467 -2.277 105 HZ1 LYS 13 HZ1 LYS 13 -20.192 9.932 -2.933 106 HZ2 LYS 13 HZ2 LYS 13 -19.529 10.103 -4.472 107 HZ3 LYS 13 HZ3 LYS 13 -18.700 10.690 -3.128 108 H LYS 14 H LYS 14 -13.014 7.566 -5.617 109 HA LYS 14 HA LYS 14 -11.034 5.773 -6.873 110 HB2 LYS 14 HB2 LYS 14 -12.095 8.291 -8.257 111 HB3 LYS 14 HB3 LYS 14 -10.731 7.328 -8.812 112 HG2 LYS 14 HG2 LYS 14 -12.202 5.413 -9.221 113 HG3 LYS 14 HG3 LYS 14 -13.581 6.316 -8.586 114 HD2 LYS 14 HD2 LYS 14 -13.294 7.973 -10.459 115 HD3 LYS 14 HD3 LYS 14 -12.010 6.950 -11.118 116 HE2 LYS 14 HE2 LYS 14 -13.599 5.101 -11.408 117 HE3 LYS 14 HE3 LYS 14 -14.881 6.066 -10.672 118 HZ1 LYS 14 HZ1 LYS 14 -15.063 6.087 -13.056 119 HZ2 LYS 14 HZ2 LYS 14 -13.493 6.681 -13.218 120 HZ3 LYS 14 HZ3 LYS 14 -14.680 7.636 -12.505 121 H ALA 15 H ALA 15 -11.905 8.877 -5.502 122 HA ALA 15 HA ALA 15 -10.891 10.239 -4.021 123 HB1 ALA 15 HB1 ALA 15 -9.637 8.320 -3.082 124 HB2 ALA 15 HB2 ALA 15 -8.713 9.822 -3.018 125 HB3 ALA 15 HB3 ALA 15 -8.343 8.606 -4.245 126 H GLU 16 H GLU 16 -9.097 9.495 -6.946 127 HA GLU 16 HA GLU 16 -7.635 11.948 -7.109 128 HB2 GLU 16 HB2 GLU 16 -7.063 11.184 -9.394 129 HB3 GLU 16 HB3 GLU 16 -6.817 9.917 -8.198 130 HG2 GLU 16 HG2 GLU 16 -8.857 8.781 -8.875 131 HG3 GLU 16 HG3 GLU 16 -9.295 10.113 -9.944 132 H GLU 17 H GLU 17 -10.882 11.251 -7.647 133 HA GLU 17 HA GLU 17 -11.714 12.722 -9.870 134 HB2 GLU 17 HB2 GLU 17 -13.174 12.401 -7.212 135 HB3 GLU 17 HB3 GLU 17 -13.925 12.757 -8.764 136 HG2 GLU 17 HG2 GLU 17 -13.699 10.575 -9.550 137 HG3 GLU 17 HG3 GLU 17 -12.345 10.203 -8.477 138 H LEU 18 H LEU 18 -10.998 13.726 -6.622 139 HA LEU 18 HA LEU 18 -10.799 16.548 -7.269 140 HB2 LEU 18 HB2 LEU 18 -13.240 16.088 -6.696 141 HB3 LEU 18 HB3 LEU 18 -12.732 15.591 -5.097 142 HG LEU 18 HG LEU 18 -12.109 18.403 -6.084 143 HD11 LEU 18 HD11 LEU 18 -14.516 18.096 -6.478 144 HD12 LEU 18 HD12 LEU 18 -14.225 19.223 -5.159 145 HD13 LEU 18 HD13 LEU 18 -14.737 17.570 -4.807 146 HD21 LEU 18 HD21 LEU 18 -12.238 18.986 -3.693 147 HD22 LEU 18 HD22 LEU 18 -11.044 17.724 -3.979 148 HD23 LEU 18 HD23 LEU 18 -12.616 17.308 -3.293 149 H ASN 19 H ASN 19 -9.476 17.607 -5.663 150 HA ASN 19 HA ASN 19 -7.531 15.951 -4.400 151 HB2 ASN 19 HB2 ASN 19 -6.985 18.190 -5.323 152 HB3 ASN 19 HB3 ASN 19 -8.023 18.947 -4.125 153 HD21 ASN 19 HD21 ASN 19 -5.008 17.273 -4.647 154 HD22 ASN 19 HD22 ASN 19 -4.256 17.727 -3.168 155 H GLN 20 H GLN 20 -8.624 14.624 -2.920 156 HA GLN 20 HA GLN 20 -9.161 15.673 -0.272 157 HB2 GLN 20 HB2 GLN 20 -11.511 14.828 -0.145 158 HB3 GLN 20 HB3 GLN 20 -11.333 16.152 -1.287 159 HG2 GLN 20 HG2 GLN 20 -11.349 14.546 -3.164 160 HG3 GLN 20 HG3 GLN 20 -11.542 13.209 -2.032 161 HE21 GLN 20 HE21 GLN 20 -13.285 14.106 -4.228 162 HE22 GLN 20 HE22 GLN 20 -14.832 14.391 -3.514 163 H GLY 21 H GLY 21 -7.201 14.026 -1.071 164 HA2 GLY 21 HA2 GLY 21 -7.695 11.259 -1.213 165 HA3 GLY 21 HA3 GLY 21 -6.159 12.009 -0.817 166 H GLU 22 H GLU 22 -7.448 13.366 1.537 167 HA GLU 22 HA GLU 22 -6.558 11.662 3.579 168 HB2 GLU 22 HB2 GLU 22 -8.460 14.034 3.784 169 HB3 GLU 22 HB3 GLU 22 -7.526 13.359 5.114 170 HG2 GLU 22 HG2 GLU 22 -5.465 14.165 4.224 171 HG3 GLU 22 HG3 GLU 22 -6.176 14.494 2.645 172 H LEU 23 H LEU 23 -9.605 11.715 1.986 173 HA LEU 23 HA LEU 23 -11.157 10.638 4.203 174 HB2 LEU 23 HB2 LEU 23 -11.928 11.335 1.347 175 HB3 LEU 23 HB3 LEU 23 -13.060 10.759 2.561 176 HG LEU 23 HG LEU 23 -11.497 13.368 2.725 177 HD11 LEU 23 HD11 LEU 23 -14.442 12.933 2.139 178 HD12 LEU 23 HD12 LEU 23 -13.217 13.462 0.982 179 HD13 LEU 23 HD13 LEU 23 -13.641 14.494 2.346 180 HD21 LEU 23 HD21 LEU 23 -12.907 13.874 4.681 181 HD22 LEU 23 HD22 LEU 23 -11.915 12.445 4.951 182 HD23 LEU 23 HD23 LEU 23 -13.632 12.267 4.583 183 H MET 24 H MET 24 -9.652 9.418 1.240 184 HA MET 24 HA MET 24 -11.024 6.802 1.618 185 HB2 MET 24 HB2 MET 24 -10.223 8.226 -0.937 186 HB3 MET 24 HB3 MET 24 -10.499 6.495 -0.911 187 HG2 MET 24 HG2 MET 24 -12.506 7.483 -1.678 188 HG3 MET 24 HG3 MET 24 -12.810 6.960 -0.022 189 HE1 MET 24 HE1 MET 24 -11.982 11.354 -1.178 190 HE2 MET 24 HE2 MET 24 -12.031 10.040 -2.356 191 HE3 MET 24 HE3 MET 24 -10.738 10.097 -1.157 192 H GLY 25 H GLY 25 -7.876 8.301 1.365 193 HA2 GLY 25 HA2 GLY 25 -6.329 6.459 0.018 194 HA3 GLY 25 HA3 GLY 25 -5.733 7.495 1.296 195 H ARG 26 H ARG 26 -7.157 6.337 3.465 196 HA ARG 26 HA ARG 26 -5.395 4.169 4.104 197 HB2 ARG 26 HB2 ARG 26 -7.766 5.284 5.642 198 HB3 ARG 26 HB3 ARG 26 -6.641 4.089 6.278 199 HG2 ARG 26 HG2 ARG 26 -4.785 5.771 5.998 200 HG3 ARG 26 HG3 ARG 26 -6.004 6.963 5.528 201 HD2 ARG 26 HD2 ARG 26 -5.390 7.168 7.915 202 HD3 ARG 26 HD3 ARG 26 -7.095 6.742 7.720 203 HE ARG 26 HE ARG 26 -5.046 4.687 8.297 204 HH11 ARG 26 HH11 ARG 26 -8.080 6.240 9.198 205 HH12 ARG 26 HH12 ARG 26 -8.425 5.093 10.451 206 HH21 ARG 26 HH21 ARG 26 -5.521 3.200 9.917 207 HH22 ARG 26 HH22 ARG 26 -6.973 3.366 10.860 208 H ALA 27 H ALA 27 -8.697 4.347 2.927 209 HA ALA 27 HA ALA 27 -9.688 1.850 3.749 210 HB1 ALA 27 HB1 ALA 27 -11.343 2.063 1.937 211 HB2 ALA 27 HB2 ALA 27 -10.400 3.378 1.223 212 HB3 ALA 27 HB3 ALA 27 -11.148 3.584 2.808 213 H LEU 28 H LEU 28 -7.951 2.732 0.717 214 HA LEU 28 HA LEU 28 -7.835 0.166 -0.421 215 HB2 LEU 28 HB2 LEU 28 -6.271 2.687 -0.812 216 HB3 LEU 28 HB3 LEU 28 -5.538 1.218 -1.432 217 HG LEU 28 HG LEU 28 -8.258 2.305 -2.244 218 HD11 LEU 28 HD11 LEU 28 -7.203 2.752 -4.421 219 HD12 LEU 28 HD12 LEU 28 -5.646 2.244 -3.764 220 HD13 LEU 28 HD13 LEU 28 -6.451 3.674 -3.118 221 HD21 LEU 28 HD21 LEU 28 -8.232 -0.139 -2.312 222 HD22 LEU 28 HD22 LEU 28 -6.779 -0.109 -3.312 223 HD23 LEU 28 HD23 LEU 28 -8.296 0.548 -3.933 224 H TYR 29 H TYR 29 -5.709 1.766 1.883 225 HA TYR 29 HA TYR 29 -3.623 -0.093 2.025 226 HB2 TYR 29 HB2 TYR 29 -3.528 2.186 3.002 227 HB3 TYR 29 HB3 TYR 29 -4.715 1.729 4.217 228 HD1 TYR 29 HD2 TYR 29 -1.386 0.576 2.923 229 HD2 TYR 29 HD1 TYR 29 -3.862 1.138 6.354 230 HE1 TYR 29 HE2 TYR 29 0.458 -0.130 4.365 231 HE2 TYR 29 HE1 TYR 29 -2.005 0.422 7.806 232 HH TYR 29 HH TYR 29 1.208 0.074 6.631 233 H ASN 30 H ASN 30 -6.745 0.038 3.760 234 HA ASN 30 HA ASN 30 -6.301 -2.218 5.449 235 HB2 ASN 30 HB2 ASN 30 -8.871 -0.824 4.592 236 HB3 ASN 30 HB3 ASN 30 -8.873 -2.206 5.679 237 HD21 ASN 30 HD21 ASN 30 -8.325 1.186 5.436 238 HD22 ASN 30 HD22 ASN 30 -7.938 1.453 7.094 239 H ILE 31 H ILE 31 -7.625 -1.901 2.172 240 HA ILE 31 HA ILE 31 -8.659 -4.544 1.897 241 HB ILE 31 HB ILE 31 -7.626 -2.707 -0.324 242 HG12 ILE 31 HG12 ILE 31 -10.491 -2.896 0.704 243 HG13 ILE 31 HG13 ILE 31 -9.366 -1.646 1.202 244 HG21 ILE 31 HG21 ILE 31 -9.186 -3.937 -1.792 245 HG22 ILE 31 HG22 ILE 31 -9.632 -4.985 -0.446 246 HG23 ILE 31 HG23 ILE 31 -7.986 -5.020 -1.080 247 HD11 ILE 31 HD11 ILE 31 -10.889 -0.844 -0.494 248 HD12 ILE 31 HD12 ILE 31 -10.346 -2.099 -1.607 249 HD13 ILE 31 HD13 ILE 31 -9.231 -0.836 -1.087 250 H GLY 32 H GLY 32 -5.543 -3.018 1.220 251 HA2 GLY 32 HA2 GLY 32 -4.138 -5.179 0.098 252 HA3 GLY 32 HA3 GLY 32 -3.428 -3.817 0.956 253 H LEU 33 H LEU 33 -4.439 -4.062 3.472 254 HA LEU 33 HA LEU 33 -2.763 -5.920 4.722 255 HB2 LEU 33 HB2 LEU 33 -5.220 -4.465 5.769 256 HB3 LEU 33 HB3 LEU 33 -4.150 -5.398 6.804 257 HG LEU 33 HG LEU 33 -3.261 -2.974 5.185 258 HD11 LEU 33 HD11 LEU 33 -4.881 -2.284 6.875 259 HD12 LEU 33 HD12 LEU 33 -3.267 -1.720 7.289 260 HD13 LEU 33 HD13 LEU 33 -3.958 -3.108 8.135 261 HD21 LEU 33 HD21 LEU 33 -1.428 -4.521 5.656 262 HD22 LEU 33 HD22 LEU 33 -1.825 -4.505 7.377 263 HD23 LEU 33 HD23 LEU 33 -1.247 -3.034 6.588 264 H GLU 34 H GLU 34 -6.157 -6.181 3.790 265 HA GLU 34 HA GLU 34 -6.857 -8.556 5.141 266 HB2 GLU 34 HB2 GLU 34 -7.921 -7.251 2.611 267 HB3 GLU 34 HB3 GLU 34 -8.631 -8.716 3.273 268 HG2 GLU 34 HG2 GLU 34 -8.467 -6.034 4.658 269 HG3 GLU 34 HG3 GLU 34 -9.910 -6.759 3.946 270 H LYS 35 H LYS 35 -5.723 -8.085 1.775 271 HA LYS 35 HA LYS 35 -5.703 -10.880 1.164 272 HB2 LYS 35 HB2 LYS 35 -4.543 -8.488 -0.301 273 HB3 LYS 35 HB3 LYS 35 -4.462 -10.136 -0.924 274 HG2 LYS 35 HG2 LYS 35 -7.025 -10.192 -0.673 275 HG3 LYS 35 HG3 LYS 35 -6.930 -8.443 -0.455 276 HD2 LYS 35 HD2 LYS 35 -5.876 -8.223 -2.672 277 HD3 LYS 35 HD3 LYS 35 -5.913 -9.976 -2.869 278 HE2 LYS 35 HE2 LYS 35 -8.378 -9.925 -2.816 279 HE3 LYS 35 HE3 LYS 35 -8.339 -8.173 -2.619 280 HZ1 LYS 35 HZ1 LYS 35 -7.218 -9.632 -4.960 281 HZ2 LYS 35 HZ2 LYS 35 -7.328 -7.951 -4.777 282 HZ3 LYS 35 HZ3 LYS 35 -8.731 -8.880 -4.924 283 H ASN 36 H ASN 36 -3.242 -8.590 2.227 284 HA ASN 36 HA ASN 36 -0.905 -10.131 1.869 285 HB2 ASN 36 HB2 ASN 36 -1.010 -7.652 2.426 286 HB3 ASN 36 HB3 ASN 36 -1.438 -8.081 4.075 287 HD21 ASN 36 HD21 ASN 36 0.369 -7.130 4.972 288 HD22 ASN 36 HD22 ASN 36 1.974 -7.738 4.764 289 H LYS 37 H LYS 37 -3.181 -9.862 4.518 290 HA LYS 37 HA LYS 37 -1.952 -11.570 6.434 291 HB2 LYS 37 HB2 LYS 37 -3.521 -9.837 7.066 292 HB3 LYS 37 HB3 LYS 37 -4.780 -10.512 6.043 293 HG2 LYS 37 HG2 LYS 37 -5.008 -12.429 7.547 294 HG3 LYS 37 HG3 LYS 37 -3.688 -11.825 8.556 295 HD2 LYS 37 HD2 LYS 37 -4.971 -9.910 9.257 296 HD3 LYS 37 HD3 LYS 37 -6.203 -10.191 8.022 297 HE2 LYS 37 HE2 LYS 37 -5.663 -12.014 10.389 298 HE3 LYS 37 HE3 LYS 37 -6.972 -10.833 10.280 299 HZ1 LYS 37 HZ1 LYS 37 -7.796 -12.986 9.698 300 HZ2 LYS 37 HZ2 LYS 37 -6.586 -13.207 8.546 301 HZ3 LYS 37 HZ3 LYS 37 -7.775 -12.034 8.301 302 H MET 38 H MET 38 -4.156 -12.140 3.734 303 HA MET 38 HA MET 38 -4.550 -14.976 4.361 304 HB2 MET 38 HB2 MET 38 -5.459 -13.282 1.998 305 HB3 MET 38 HB3 MET 38 -5.827 -14.993 2.171 306 HG2 MET 38 HG2 MET 38 -7.016 -14.470 4.303 307 HG3 MET 38 HG3 MET 38 -6.746 -12.757 3.990 308 HE1 MET 38 HE1 MET 38 -7.150 -12.700 0.729 309 HE2 MET 38 HE2 MET 38 -7.809 -11.479 1.823 310 HE3 MET 38 HE3 MET 38 -8.863 -12.282 0.660 311 H GLY 39 H GLY 39 -1.988 -13.307 3.155 312 HA2 GLY 39 HA2 GLY 39 0.026 -14.272 2.448 313 HA3 GLY 39 HA3 GLY 39 -0.839 -15.689 1.878 314 H LYS 40 H LYS 40 -2.657 -13.393 0.607 315 HA LYS 40 HA LYS 40 -1.477 -13.423 -2.036 316 HB2 LYS 40 HB2 LYS 40 -3.915 -11.934 -0.964 317 HB3 LYS 40 HB3 LYS 40 -3.516 -12.150 -2.666 318 HG2 LYS 40 HG2 LYS 40 -3.915 -14.533 -2.519 319 HG3 LYS 40 HG3 LYS 40 -4.133 -14.431 -0.767 320 HD2 LYS 40 HD2 LYS 40 -6.179 -13.154 -1.024 321 HD3 LYS 40 HD3 LYS 40 -5.923 -12.987 -2.765 322 HE2 LYS 40 HE2 LYS 40 -6.452 -15.600 -1.308 323 HE3 LYS 40 HE3 LYS 40 -7.633 -14.687 -2.247 324 HZ1 LYS 40 HZ1 LYS 40 -6.756 -16.461 -3.568 325 HZ2 LYS 40 HZ2 LYS 40 -5.168 -15.971 -3.280 326 HZ3 LYS 40 HZ3 LYS 40 -6.190 -14.999 -4.198 327 H ALA 41 H ALA 41 0.511 -12.332 -1.074 328 HA ALA 41 HA ALA 41 0.318 -9.607 -0.150 329 HB1 ALA 41 HB1 ALA 41 2.717 -9.821 0.245 330 HB2 ALA 41 HB2 ALA 41 2.748 -11.356 -0.629 331 HB3 ALA 41 HB3 ALA 41 1.844 -11.215 0.881 332 H ARG 42 H ARG 42 0.974 -11.141 -3.220 333 HA ARG 42 HA ARG 42 2.196 -8.919 -4.536 334 HB2 ARG 42 HB2 ARG 42 2.180 -11.336 -5.375 335 HB3 ARG 42 HB3 ARG 42 0.511 -11.102 -5.860 336 HG2 ARG 42 HG2 ARG 42 2.728 -9.317 -6.904 337 HG3 ARG 42 HG3 ARG 42 2.373 -10.861 -7.663 338 HD2 ARG 42 HD2 ARG 42 0.174 -10.123 -8.298 339 HD3 ARG 42 HD3 ARG 42 0.295 -8.666 -7.321 340 HE ARG 42 HE ARG 42 2.350 -8.661 -9.260 341 HH11 ARG 42 HH11 ARG 42 -1.145 -8.317 -9.029 342 HH12 ARG 42 HH12 ARG 42 -1.248 -7.314 -10.440 343 HH21 ARG 42 HH21 ARG 42 2.158 -7.310 -11.107 344 HH22 ARG 42 HH22 ARG 42 0.598 -6.749 -11.607 345 H GLU 43 H GLU 43 -1.109 -10.100 -4.226 346 HA GLU 43 HA GLU 43 -2.439 -8.075 -5.676 347 HB2 GLU 43 HB2 GLU 43 -3.459 -9.902 -3.467 348 HB3 GLU 43 HB3 GLU 43 -4.482 -8.922 -4.521 349 HG2 GLU 43 HG2 GLU 43 -3.639 -10.174 -6.484 350 HG3 GLU 43 HG3 GLU 43 -2.657 -11.173 -5.420 351 H ALA 44 H ALA 44 -1.671 -8.486 -2.268 352 HA ALA 44 HA ALA 44 -2.878 -6.253 -1.112 353 HB1 ALA 44 HB1 ALA 44 -0.267 -7.610 -0.368 354 HB2 ALA 44 HB2 ALA 44 -1.880 -8.105 0.149 355 HB3 ALA 44 HB3 ALA 44 -1.227 -6.558 0.684 356 H ALA 45 H ALA 45 0.304 -6.657 -2.596 357 HA ALA 45 HA ALA 45 1.502 -4.212 -1.994 358 HB1 ALA 45 HB1 ALA 45 3.044 -4.738 -3.851 359 HB2 ALA 45 HB2 ALA 45 1.934 -5.991 -4.420 360 HB3 ALA 45 HB3 ALA 45 2.727 -6.158 -2.851 361 H GLU 46 H GLU 46 -0.710 -5.083 -4.611 362 HA GLU 46 HA GLU 46 -0.526 -2.782 -6.246 363 HB2 GLU 46 HB2 GLU 46 -2.935 -4.588 -5.774 364 HB3 GLU 46 HB3 GLU 46 -2.745 -3.471 -7.120 365 HG2 GLU 46 HG2 GLU 46 -0.886 -4.797 -8.000 366 HG3 GLU 46 HG3 GLU 46 -0.974 -5.872 -6.604 367 H TYR 47 H TYR 47 -2.693 -3.593 -3.540 368 HA TYR 47 HA TYR 47 -4.236 -1.188 -3.609 369 HB2 TYR 47 HB2 TYR 47 -3.888 -3.236 -1.378 370 HB3 TYR 47 HB3 TYR 47 -5.092 -1.951 -1.376 371 HD1 TYR 47 HD1 TYR 47 -6.772 -1.915 -3.360 372 HD2 TYR 47 HD2 TYR 47 -4.436 -5.330 -2.344 373 HE1 TYR 47 HE1 TYR 47 -8.350 -3.346 -4.558 374 HE2 TYR 47 HE2 TYR 47 -6.011 -6.762 -3.552 375 HH TYR 47 HH TYR 47 -8.573 -5.432 -5.518 376 H PHE 48 H PHE 48 -1.392 -2.222 -1.789 377 HA PHE 48 HA PHE 48 -1.206 0.003 -0.029 378 HB2 PHE 48 HB2 PHE 48 0.956 -1.899 -1.040 379 HB3 PHE 48 HB3 PHE 48 1.226 -0.698 0.215 380 HD1 PHE 48 HD1 PHE 48 -1.384 -1.044 1.744 381 HD2 PHE 48 HD2 PHE 48 1.393 -3.900 0.187 382 HE1 PHE 48 HE1 PHE 48 -2.028 -2.632 3.493 383 HE2 PHE 48 HE2 PHE 48 0.729 -5.496 1.940 384 HZ PHE 48 HZ PHE 48 -0.982 -4.866 3.595 385 H PHE 49 H PHE 49 -0.079 -0.598 -3.316 386 HA PHE 49 HA PHE 49 1.644 1.660 -3.555 387 HB2 PHE 49 HB2 PHE 49 1.851 -0.291 -5.066 388 HB3 PHE 49 HB3 PHE 49 0.260 0.046 -5.748 389 HD1 PHE 49 HD2 PHE 49 3.208 2.226 -4.949 390 HD2 PHE 49 HD1 PHE 49 0.555 0.816 -7.989 391 HE1 PHE 49 HE2 PHE 49 4.261 3.709 -6.571 392 HE2 PHE 49 HE1 PHE 49 1.637 2.318 -9.616 393 HZ PHE 49 HZ PHE 49 3.510 3.770 -8.905 394 H ARG 50 H ARG 50 -1.645 1.023 -4.719 395 HA ARG 50 HA ARG 50 -2.154 3.554 -5.843 396 HB2 ARG 50 HB2 ARG 50 -4.062 1.469 -4.729 397 HB3 ARG 50 HB3 ARG 50 -4.566 2.865 -5.675 398 HG2 ARG 50 HG2 ARG 50 -3.376 2.029 -7.632 399 HG3 ARG 50 HG3 ARG 50 -2.731 0.673 -6.700 400 HD2 ARG 50 HD2 ARG 50 -4.967 -0.239 -6.388 401 HD3 ARG 50 HD3 ARG 50 -5.692 1.180 -7.153 402 HE ARG 50 HE ARG 50 -3.926 0.014 -8.990 403 HH11 ARG 50 HH11 ARG 50 -6.967 -0.764 -7.393 404 HH12 ARG 50 HH12 ARG 50 -7.541 -1.763 -8.688 405 HH21 ARG 50 HH21 ARG 50 -4.706 -1.272 -10.714 406 HH22 ARG 50 HH22 ARG 50 -6.254 -2.051 -10.580 407 H ALA 51 H ALA 51 -2.714 2.227 -2.590 408 HA ALA 51 HA ALA 51 -3.973 4.422 -1.363 409 HB1 ALA 51 HB1 ALA 51 -3.811 2.214 -0.286 410 HB2 ALA 51 HB2 ALA 51 -3.161 3.470 0.769 411 HB3 ALA 51 HB3 ALA 51 -2.065 2.402 -0.118 412 H ALA 52 H ALA 52 -0.526 3.598 -1.791 413 HA ALA 52 HA ALA 52 0.610 5.714 -0.306 414 HB1 ALA 52 HB1 ALA 52 2.716 5.141 -1.438 415 HB2 ALA 52 HB2 ALA 52 1.833 4.163 -2.617 416 HB3 ALA 52 HB3 ALA 52 1.858 3.691 -0.917 417 H ILE 53 H ILE 53 -0.314 5.504 -3.737 418 HA ILE 53 HA ILE 53 0.686 7.962 -4.690 419 HB ILE 53 HB ILE 53 -1.815 6.409 -5.542 420 HG12 ILE 53 HG12 ILE 53 0.926 6.508 -6.886 421 HG13 ILE 53 HG13 ILE 53 0.417 5.224 -5.806 422 HG21 ILE 53 HG21 ILE 53 -1.768 7.691 -7.666 423 HG22 ILE 53 HG22 ILE 53 -0.457 8.688 -7.035 424 HG23 ILE 53 HG23 ILE 53 -2.048 8.749 -6.276 425 HD11 ILE 53 HD11 ILE 53 -0.812 5.896 -8.478 426 HD12 ILE 53 HD12 ILE 53 -1.378 4.635 -7.381 427 HD13 ILE 53 HD13 ILE 53 0.228 4.523 -8.098 428 H VAL 54 H VAL 54 -2.332 7.128 -3.046 429 HA VAL 54 HA VAL 54 -3.545 9.722 -3.229 430 HB VAL 54 HB VAL 54 -4.287 7.358 -1.443 431 HG11 VAL 54 HG11 VAL 54 -6.534 8.383 -1.336 432 HG12 VAL 54 HG12 VAL 54 -5.951 9.767 -2.265 433 HG13 VAL 54 HG13 VAL 54 -5.308 9.455 -0.652 434 HG21 VAL 54 HG21 VAL 54 -5.903 6.750 -3.180 435 HG22 VAL 54 HG22 VAL 54 -4.279 6.795 -3.864 436 HG23 VAL 54 HG23 VAL 54 -5.399 8.122 -4.169 437 H PHE 55 H PHE 55 -1.627 8.002 -0.814 438 HA PHE 55 HA PHE 55 -1.838 9.941 1.285 439 HB2 PHE 55 HB2 PHE 55 0.164 7.714 0.753 440 HB3 PHE 55 HB3 PHE 55 0.261 8.752 2.170 441 HD1 PHE 55 HD1 PHE 55 -2.383 8.991 3.220 442 HD2 PHE 55 HD2 PHE 55 -0.575 5.582 1.371 443 HE1 PHE 55 HE1 PHE 55 -3.852 7.495 4.502 444 HE2 PHE 55 HE2 PHE 55 -2.059 4.101 2.652 445 HZ PHE 55 HZ PHE 55 -3.693 5.056 4.215 446 H TYR 56 H TYR 56 0.148 9.614 -1.534 447 HA TYR 56 HA TYR 56 2.230 11.428 -0.716 448 HB2 TYR 56 HB2 TYR 56 2.715 9.608 -2.265 449 HB3 TYR 56 HB3 TYR 56 1.513 10.202 -3.413 450 HD1 TYR 56 HD2 TYR 56 4.387 11.752 -1.520 451 HD2 TYR 56 HD1 TYR 56 2.521 11.116 -5.303 452 HE1 TYR 56 HE2 TYR 56 6.116 13.093 -2.595 453 HE2 TYR 56 HE1 TYR 56 4.239 12.468 -6.379 454 HH TYR 56 HH TYR 56 7.121 13.442 -4.764 455 H LYS 57 H LYS 57 -0.479 11.635 -3.053 456 HA LYS 57 HA LYS 57 -0.173 14.322 -3.775 457 HB2 LYS 57 HB2 LYS 57 -2.439 14.252 -4.666 458 HB3 LYS 57 HB3 LYS 57 -1.617 12.740 -5.021 459 HG2 LYS 57 HG2 LYS 57 -2.833 11.658 -3.145 460 HG3 LYS 57 HG3 LYS 57 -3.668 13.172 -2.839 461 HD2 LYS 57 HD2 LYS 57 -5.176 11.753 -4.045 462 HD3 LYS 57 HD3 LYS 57 -4.666 13.020 -5.160 463 HE2 LYS 57 HE2 LYS 57 -3.404 10.256 -5.106 464 HE3 LYS 57 HE3 LYS 57 -4.797 10.659 -6.106 465 HZ1 LYS 57 HZ1 LYS 57 -2.748 10.819 -7.354 466 HZ2 LYS 57 HZ2 LYS 57 -2.126 11.951 -6.270 467 HZ3 LYS 57 HZ3 LYS 57 -3.467 12.341 -7.219 468 H GLU 58 H GLU 58 -1.897 12.953 -0.965 469 HA GLU 58 HA GLU 58 -2.801 15.578 -0.038 470 HB2 GLU 58 HB2 GLU 58 -3.787 14.399 1.841 471 HB3 GLU 58 HB3 GLU 58 -4.141 13.493 0.373 472 HG2 GLU 58 HG2 GLU 58 -2.272 11.942 0.923 473 HG3 GLU 58 HG3 GLU 58 -2.007 12.829 2.418 474 H HIS 59 H HIS 59 0.038 13.767 0.096 475 HA HIS 59 HA HIS 59 2.061 14.005 0.984 476 HB2 HIS 59 HB2 HIS 59 1.076 16.802 1.662 477 HB3 HIS 59 HB3 HIS 59 2.744 16.284 1.907 478 HD1 HIS 59 HD1 HIS 59 4.135 15.709 -0.262 479 HD2 HIS 59 HD2 HIS 59 0.420 17.419 -0.970 480 HE1 HIS 59 HE1 HIS 59 4.174 16.433 -2.665 481 HE2 HIS 59 HE2 HIS 59 1.929 17.505 -3.055 482 H ASP 60 H ASP 60 0.062 12.741 2.521 483 HA ASP 60 HA ASP 60 0.553 13.264 5.324 484 HB2 ASP 60 HB2 ASP 60 -1.604 12.291 4.292 485 HB3 ASP 60 HB3 ASP 60 -0.725 10.783 4.077 486 H THR 61 H THR 61 2.764 13.064 5.602 487 HA THR 61 HA THR 61 4.529 11.221 4.545 488 HB THR 61 HB THR 61 5.894 11.725 6.746 489 HG1 THR 61 HG1 THR 61 5.075 13.538 7.885 490 HG21 THR 61 HG21 THR 61 6.377 12.843 4.623 491 HG22 THR 61 HG22 THR 61 6.484 13.990 5.958 492 HG23 THR 61 HG23 THR 61 5.071 13.997 4.899 493 H ASP 62 H ASP 62 2.560 10.906 7.480 494 HA ASP 62 HA ASP 62 3.738 8.587 8.565 495 HB2 ASP 62 HB2 ASP 62 2.255 9.941 9.944 496 HB3 ASP 62 HB3 ASP 62 0.902 9.671 8.849 497 H GLY 63 H GLY 63 0.864 8.974 6.515 498 HA2 GLY 63 HA2 GLY 63 0.208 6.191 6.432 499 HA3 GLY 63 HA3 GLY 63 -0.534 7.479 5.491 500 H LEU 64 H LEU 64 1.872 8.412 4.237 501 HA LEU 64 HA LEU 64 2.102 6.696 2.000 502 HB2 LEU 64 HB2 LEU 64 2.491 9.088 1.792 503 HB3 LEU 64 HB3 LEU 64 3.809 9.026 2.949 504 HG LEU 64 HG LEU 64 5.196 7.755 1.322 505 HD11 LEU 64 HD11 LEU 64 2.913 8.102 -0.636 506 HD12 LEU 64 HD12 LEU 64 3.459 6.577 0.069 507 HD13 LEU 64 HD13 LEU 64 4.524 7.481 -1.006 508 HD21 LEU 64 HD21 LEU 64 5.620 9.566 -0.245 509 HD22 LEU 64 HD22 LEU 64 5.334 10.196 1.371 510 HD23 LEU 64 HD23 LEU 64 4.066 10.306 0.145 511 H ARG 65 H ARG 65 4.271 7.371 4.733 512 HA ARG 65 HA ARG 65 6.303 5.486 4.248 513 HB2 ARG 65 HB2 ARG 65 6.579 7.231 5.912 514 HB3 ARG 65 HB3 ARG 65 5.181 6.678 6.819 515 HG2 ARG 65 HG2 ARG 65 6.381 4.647 7.490 516 HG3 ARG 65 HG3 ARG 65 7.782 5.131 6.530 517 HD2 ARG 65 HD2 ARG 65 8.326 6.906 7.990 518 HD3 ARG 65 HD3 ARG 65 6.713 6.947 8.703 519 HE ARG 65 HE ARG 65 8.847 5.004 9.288 520 HH11 ARG 65 HH11 ARG 65 5.670 6.300 10.072 521 HH12 ARG 65 HH12 ARG 65 5.570 5.468 11.589 522 HH21 ARG 65 HH21 ARG 65 8.692 3.897 11.263 523 HH22 ARG 65 HH22 ARG 65 7.289 4.101 12.265 524 H ARG 66 H ARG 66 3.190 5.216 5.858 525 HA ARG 66 HA ARG 66 3.513 2.683 7.091 526 HB2 ARG 66 HB2 ARG 66 1.780 4.672 7.436 527 HB3 ARG 66 HB3 ARG 66 0.814 3.798 6.258 528 HG2 ARG 66 HG2 ARG 66 0.761 1.843 7.746 529 HG3 ARG 66 HG3 ARG 66 1.801 2.687 8.899 530 HD2 ARG 66 HD2 ARG 66 -0.044 4.516 8.920 531 HD3 ARG 66 HD3 ARG 66 -1.059 3.295 8.148 532 HE ARG 66 HE ARG 66 -0.679 1.883 10.134 533 HH11 ARG 66 HH11 ARG 66 -0.094 5.354 10.467 534 HH12 ARG 66 HH12 ARG 66 -0.356 5.348 12.184 535 HH21 ARG 66 HH21 ARG 66 -1.031 1.905 12.380 536 HH22 ARG 66 HH22 ARG 66 -0.888 3.392 13.265 537 H ALA 67 H ALA 67 2.118 3.754 4.040 538 HA ALA 67 HA ALA 67 1.277 1.169 3.099 539 HB1 ALA 67 HB1 ALA 67 0.778 2.350 0.997 540 HB2 ALA 67 HB2 ALA 67 1.590 3.799 1.603 541 HB3 ALA 67 HB3 ALA 67 0.121 3.212 2.386 542 H ALA 68 H ALA 68 4.144 3.207 2.773 543 HA ALA 68 HA ALA 68 5.365 1.947 0.537 544 HB1 ALA 68 HB1 ALA 68 6.635 3.569 2.776 545 HB2 ALA 68 HB2 ALA 68 5.935 4.229 1.297 546 HB3 ALA 68 HB3 ALA 68 7.371 3.208 1.206 547 H LYS 69 H LYS 69 5.895 1.644 4.046 548 HA LYS 69 HA LYS 69 7.925 -0.335 3.895 549 HB2 LYS 69 HB2 LYS 69 6.082 0.258 6.249 550 HB3 LYS 69 HB3 LYS 69 7.599 -0.628 6.320 551 HG2 LYS 69 HG2 LYS 69 7.197 2.316 5.790 552 HG3 LYS 69 HG3 LYS 69 8.002 1.570 7.169 553 HD2 LYS 69 HD2 LYS 69 9.851 0.835 5.714 554 HD3 LYS 69 HD3 LYS 69 9.011 1.480 4.298 555 HE2 LYS 69 HE2 LYS 69 9.125 3.763 5.360 556 HE3 LYS 69 HE3 LYS 69 10.144 3.068 6.625 557 HZ1 LYS 69 HZ1 LYS 69 11.457 4.086 4.857 558 HZ2 LYS 69 HZ2 LYS 69 10.758 3.052 3.720 559 HZ3 LYS 69 HZ3 LYS 69 11.739 2.423 4.938 560 H SER 70 H SER 70 4.409 -0.503 4.544 561 HA SER 70 HA SER 70 4.242 -3.305 4.927 562 HB2 SER 70 HB2 SER 70 2.489 -1.625 5.629 563 HB3 SER 70 HB3 SER 70 2.005 -1.478 3.940 564 HG SER 70 HG SER 70 1.767 -3.899 4.119 565 H LEU 71 H LEU 71 4.168 -1.317 2.024 566 HA LEU 71 HA LEU 71 3.371 -3.223 0.091 567 HB2 LEU 71 HB2 LEU 71 4.003 -0.556 0.037 568 HB3 LEU 71 HB3 LEU 71 5.455 -1.201 -0.683 569 HG LEU 71 HG LEU 71 2.642 -1.680 -1.742 570 HD11 LEU 71 HD11 LEU 71 3.189 0.661 -1.898 571 HD12 LEU 71 HD12 LEU 71 3.217 -0.068 -3.499 572 HD13 LEU 71 HD13 LEU 71 4.733 0.294 -2.673 573 HD21 LEU 71 HD21 LEU 71 3.721 -2.471 -3.789 574 HD22 LEU 71 HD22 LEU 71 4.172 -3.466 -2.409 575 HD23 LEU 71 HD23 LEU 71 5.310 -2.280 -3.045 576 H LYS 72 H LYS 72 6.548 -2.173 1.253 577 HA LYS 72 HA LYS 72 8.157 -3.935 -0.258 578 HB2 LYS 72 HB2 LYS 72 8.884 -1.759 0.709 579 HB3 LYS 72 HB3 LYS 72 8.746 -2.437 2.326 580 HG2 LYS 72 HG2 LYS 72 10.562 -4.054 1.771 581 HG3 LYS 72 HG3 LYS 72 10.701 -3.311 0.175 582 HD2 LYS 72 HD2 LYS 72 12.443 -2.481 1.741 583 HD3 LYS 72 HD3 LYS 72 11.392 -1.180 1.175 584 HE2 LYS 72 HE2 LYS 72 11.901 -1.020 3.604 585 HE3 LYS 72 HE3 LYS 72 10.171 -1.207 3.300 586 HZ1 LYS 72 HZ1 LYS 72 12.014 -3.409 4.068 587 HZ2 LYS 72 HZ2 LYS 72 10.339 -3.535 3.883 588 HZ3 LYS 72 HZ3 LYS 72 10.985 -2.600 5.131 589 H GLU 73 H GLU 73 6.620 -4.227 2.901 590 HA GLU 73 HA GLU 73 7.934 -6.655 3.727 591 HB2 GLU 73 HB2 GLU 73 5.350 -5.371 4.731 592 HB3 GLU 73 HB3 GLU 73 6.152 -6.737 5.493 593 HG2 GLU 73 HG2 GLU 73 7.209 -3.912 5.274 594 HG3 GLU 73 HG3 GLU 73 6.629 -4.709 6.726 595 H ALA 74 H ALA 74 5.042 -5.794 1.922 596 HA ALA 74 HA ALA 74 3.897 -8.398 1.753 597 HB1 ALA 74 HB1 ALA 74 2.579 -6.368 1.294 598 HB2 ALA 74 HB2 ALA 74 2.541 -7.472 -0.079 599 HB3 ALA 74 HB3 ALA 74 3.561 -6.031 -0.133 600 H ILE 75 H ILE 75 6.407 -6.680 -0.077 601 HA ILE 75 HA ILE 75 6.459 -8.301 -2.385 602 HB ILE 75 HB ILE 75 8.813 -6.752 -1.229 603 HG12 ILE 75 HG12 ILE 75 7.068 -5.148 -1.544 604 HG13 ILE 75 HG13 ILE 75 8.110 -4.977 -2.944 605 HG21 ILE 75 HG21 ILE 75 9.677 -6.749 -3.549 606 HG22 ILE 75 HG22 ILE 75 8.324 -7.756 -4.060 607 HG23 ILE 75 HG23 ILE 75 9.514 -8.389 -2.921 608 HD11 ILE 75 HD11 ILE 75 5.414 -6.333 -2.838 609 HD12 ILE 75 HD12 ILE 75 6.468 -6.307 -4.255 610 HD13 ILE 75 HD13 ILE 75 5.822 -4.800 -3.608 611 H THR 76 H THR 76 8.386 -8.483 0.595 612 HA THR 76 HA THR 76 9.902 -10.782 -0.197 613 HB THR 76 HB THR 76 10.702 -9.142 1.498 614 HG1 THR 76 HG1 THR 76 10.520 -11.878 2.255 615 HG21 THR 76 HG21 THR 76 8.601 -8.741 2.733 616 HG22 THR 76 HG22 THR 76 9.898 -9.231 3.823 617 HG23 THR 76 HG23 THR 76 8.649 -10.391 3.364 618 H ALA 77 H ALA 77 6.696 -10.378 0.942 619 HA ALA 77 HA ALA 77 6.378 -13.180 1.805 620 HB1 ALA 77 HB1 ALA 77 4.190 -12.450 2.660 621 HB2 ALA 77 HB2 ALA 77 4.452 -10.837 1.984 622 HB3 ALA 77 HB3 ALA 77 5.486 -11.427 3.287 623 H ILE 78 H ILE 78 6.236 -11.514 -1.080 624 HA ILE 78 HA ILE 78 3.861 -12.552 -2.289 625 HB ILE 78 HB ILE 78 6.433 -11.506 -3.578 626 HG12 ILE 78 HG12 ILE 78 3.669 -10.258 -3.294 627 HG13 ILE 78 HG13 ILE 78 5.110 -9.792 -2.406 628 HG21 ILE 78 HG21 ILE 78 5.241 -11.437 -5.756 629 HG22 ILE 78 HG22 ILE 78 3.857 -12.248 -5.023 630 HG23 ILE 78 HG23 ILE 78 5.398 -13.092 -5.159 631 HD11 ILE 78 HD11 ILE 78 4.637 -8.199 -4.132 632 HD12 ILE 78 HD12 ILE 78 4.649 -9.458 -5.367 633 HD13 ILE 78 HD13 ILE 78 6.139 -9.037 -4.508 634 HA PRO 79 HA PRO 79 5.334 -16.849 -3.215 635 HB2 PRO 79 HB2 PRO 79 3.333 -17.220 -5.179 636 HB3 PRO 79 HB3 PRO 79 3.161 -17.630 -3.462 637 HG2 PRO 79 HG2 PRO 79 2.246 -15.176 -4.914 638 HG3 PRO 79 HG3 PRO 79 1.415 -16.111 -3.647 639 HD2 PRO 79 HD2 PRO 79 2.607 -13.792 -3.059 640 HD3 PRO 79 HD3 PRO 79 2.704 -15.161 -1.926 641 H GLU 80 H GLU 80 7.125 -16.985 -4.467 642 HA GLU 80 HA GLU 80 7.698 -14.950 -6.427 643 HB2 GLU 80 HB2 GLU 80 9.367 -15.723 -4.735 644 HB3 GLU 80 HB3 GLU 80 9.443 -17.288 -5.535 645 HG2 GLU 80 HG2 GLU 80 10.326 -16.213 -7.569 646 HG3 GLU 80 HG3 GLU 80 10.230 -14.632 -6.795 647 H GLU 81 H GLU 81 5.936 -15.689 -7.851 648 HA GLU 81 HA GLU 81 7.126 -17.276 -10.051 649 HB2 GLU 81 HB2 GLU 81 4.113 -17.163 -9.478 650 HB3 GLU 81 HB3 GLU 81 4.903 -18.007 -10.802 651 HG2 GLU 81 HG2 GLU 81 4.436 -19.764 -9.366 652 HG3 GLU 81 HG3 GLU 81 6.094 -19.383 -8.918 653 H GLU 82 H GLU 82 4.528 -14.968 -9.214 654 HA GLU 82 HA GLU 82 5.513 -13.068 -11.278 655 HB2 GLU 82 HB2 GLU 82 2.715 -13.269 -10.078 656 HB3 GLU 82 HB3 GLU 82 3.241 -12.080 -11.263 657 HG2 GLU 82 HG2 GLU 82 3.532 -13.795 -12.948 658 HG3 GLU 82 HG3 GLU 82 3.210 -15.063 -11.770 659 H GLY 83 H GLY 83 4.601 -10.720 -10.461 660 HA2 GLY 83 HA2 GLY 83 4.999 -8.957 -9.057 661 HA3 GLY 83 HA3 GLY 83 4.858 -10.078 -7.701 662 H ARG 84 H ARG 84 6.615 -9.502 -6.495 663 HA ARG 84 HA ARG 84 8.681 -9.666 -5.661 664 HB2 ARG 84 HB2 ARG 84 9.024 -11.452 -8.069 665 HB3 ARG 84 HB3 ARG 84 10.391 -11.132 -7.006 666 HG2 ARG 84 HG2 ARG 84 7.743 -12.323 -6.110 667 HG3 ARG 84 HG3 ARG 84 9.208 -13.245 -6.461 668 HD2 ARG 84 HD2 ARG 84 10.397 -11.949 -4.676 669 HD3 ARG 84 HD3 ARG 84 8.866 -11.162 -4.280 670 HE ARG 84 HE ARG 84 8.091 -13.612 -3.930 671 HH11 ARG 84 HH11 ARG 84 11.252 -12.320 -3.053 672 HH12 ARG 84 HH12 ARG 84 11.465 -13.431 -1.734 673 HH21 ARG 84 HH21 ARG 84 8.391 -15.039 -2.212 674 HH22 ARG 84 HH22 ARG 84 9.846 -14.964 -1.264 675 H LYS 85 H LYS 85 9.442 -9.355 -9.139 676 HA LYS 85 HA LYS 85 11.363 -7.224 -8.644 677 HB2 LYS 85 HB2 LYS 85 11.787 -9.016 -10.296 678 HB3 LYS 85 HB3 LYS 85 10.351 -8.553 -11.199 679 HG2 LYS 85 HG2 LYS 85 11.385 -6.403 -11.779 680 HG3 LYS 85 HG3 LYS 85 12.818 -6.815 -10.840 681 HD2 LYS 85 HD2 LYS 85 11.860 -8.488 -13.196 682 HD3 LYS 85 HD3 LYS 85 12.976 -7.139 -13.381 683 HE2 LYS 85 HE2 LYS 85 14.217 -9.222 -13.317 684 HE3 LYS 85 HE3 LYS 85 14.586 -8.280 -11.876 685 HZ1 LYS 85 HZ1 LYS 85 14.265 -10.674 -11.449 686 HZ2 LYS 85 HZ2 LYS 85 12.658 -10.545 -11.952 687 HZ3 LYS 85 HZ3 LYS 85 13.185 -9.712 -10.581 688 H GLU 86 H GLU 86 8.345 -7.629 -10.492 689 HA GLU 86 HA GLU 86 8.200 -4.872 -11.300 690 HB2 GLU 86 HB2 GLU 86 6.087 -5.551 -12.411 691 HB3 GLU 86 HB3 GLU 86 7.442 -6.584 -12.816 692 HG2 GLU 86 HG2 GLU 86 5.980 -8.280 -12.462 693 HG3 GLU 86 HG3 GLU 86 6.354 -8.009 -10.762 694 H ALA 87 H ALA 87 6.510 -6.879 -8.916 695 HA ALA 87 HA ALA 87 4.733 -4.835 -8.030 696 HB1 ALA 87 HB1 ALA 87 4.258 -6.325 -6.130 697 HB2 ALA 87 HB2 ALA 87 5.622 -7.351 -6.589 698 HB3 ALA 87 HB3 ALA 87 4.227 -7.204 -7.661 699 H LYS 88 H LYS 88 8.050 -5.714 -7.276 700 HA LYS 88 HA LYS 88 8.256 -4.210 -4.860 701 HB2 LYS 88 HB2 LYS 88 9.811 -6.081 -5.507 702 HB3 LYS 88 HB3 LYS 88 10.576 -4.984 -6.654 703 HG2 LYS 88 HG2 LYS 88 11.342 -3.535 -4.886 704 HG3 LYS 88 HG3 LYS 88 10.330 -4.353 -3.693 705 HD2 LYS 88 HD2 LYS 88 11.710 -6.427 -4.050 706 HD3 LYS 88 HD3 LYS 88 12.784 -5.478 -5.081 707 HE2 LYS 88 HE2 LYS 88 13.278 -3.980 -3.186 708 HE3 LYS 88 HE3 LYS 88 12.203 -4.924 -2.156 709 HZ1 LYS 88 HZ1 LYS 88 14.487 -5.543 -1.804 710 HZ2 LYS 88 HZ2 LYS 88 14.693 -5.909 -3.439 711 HZ3 LYS 88 HZ3 LYS 88 13.648 -6.839 -2.490 712 H GLU 89 H GLU 89 8.683 -3.488 -8.297 713 HA GLU 89 HA GLU 89 9.969 -1.018 -8.231 714 HB2 GLU 89 HB2 GLU 89 9.326 -2.254 -10.309 715 HB3 GLU 89 HB3 GLU 89 7.642 -1.830 -10.032 716 HG2 GLU 89 HG2 GLU 89 8.316 0.609 -10.200 717 HG3 GLU 89 HG3 GLU 89 9.925 0.065 -10.677 718 H MET 90 H MET 90 6.633 -1.858 -7.601 719 HA MET 90 HA MET 90 5.526 0.734 -7.273 720 HB2 MET 90 HB2 MET 90 4.597 -1.895 -6.074 721 HB3 MET 90 HB3 MET 90 3.621 -0.448 -6.261 722 HG2 MET 90 HG2 MET 90 3.975 -0.693 -8.774 723 HG3 MET 90 HG3 MET 90 4.646 -2.286 -8.433 724 HE1 MET 90 HE1 MET 90 2.662 -3.155 -5.912 725 HE2 MET 90 HE2 MET 90 3.173 -4.247 -7.201 726 HE3 MET 90 HE3 MET 90 1.461 -4.068 -6.824 727 H ALA 91 H ALA 91 6.944 -1.620 -4.988 728 HA ALA 91 HA ALA 91 6.548 -0.204 -2.576 729 HB1 ALA 91 HB1 ALA 91 8.765 -2.162 -3.284 730 HB2 ALA 91 HB2 ALA 91 7.187 -2.582 -2.620 731 HB3 ALA 91 HB3 ALA 91 8.325 -1.651 -1.646 732 H LYS 92 H LYS 92 9.185 -0.217 -4.930 733 HA LYS 92 HA LYS 92 11.020 1.466 -3.638 734 HB2 LYS 92 HB2 LYS 92 10.589 1.112 -6.645 735 HB3 LYS 92 HB3 LYS 92 12.022 1.808 -5.893 736 HG2 LYS 92 HG2 LYS 92 12.648 -0.318 -4.932 737 HG3 LYS 92 HG3 LYS 92 11.120 -1.046 -5.426 738 HD2 LYS 92 HD2 LYS 92 11.827 -0.506 -7.853 739 HD3 LYS 92 HD3 LYS 92 13.431 -0.176 -7.198 740 HE2 LYS 92 HE2 LYS 92 13.521 -2.495 -6.321 741 HE3 LYS 92 HE3 LYS 92 11.927 -2.805 -7.014 742 HZ1 LYS 92 HZ1 LYS 92 13.736 -3.615 -8.428 743 HZ2 LYS 92 HZ2 LYS 92 14.348 -2.050 -8.566 744 HZ3 LYS 92 HZ3 LYS 92 12.835 -2.419 -9.213 745 H LYS 93 H LYS 93 8.336 2.111 -5.884 746 HA LYS 93 HA LYS 93 8.670 4.873 -6.307 747 HB2 LYS 93 HB2 LYS 93 6.230 3.063 -6.311 748 HB3 LYS 93 HB3 LYS 93 6.066 4.782 -6.631 749 HG2 LYS 93 HG2 LYS 93 7.833 2.938 -8.257 750 HG3 LYS 93 HG3 LYS 93 6.157 3.313 -8.665 751 HD2 LYS 93 HD2 LYS 93 6.724 5.705 -8.859 752 HD3 LYS 93 HD3 LYS 93 8.390 5.352 -8.410 753 HE2 LYS 93 HE2 LYS 93 8.629 3.957 -10.450 754 HE3 LYS 93 HE3 LYS 93 6.967 4.363 -10.900 755 HZ1 LYS 93 HZ1 LYS 93 8.640 5.750 -12.016 756 HZ2 LYS 93 HZ2 LYS 93 9.140 6.353 -10.519 757 HZ3 LYS 93 HZ3 LYS 93 7.575 6.666 -11.074 758 H ALA 94 H ALA 94 6.700 3.166 -3.891 759 HA ALA 94 HA ALA 94 5.641 5.410 -2.560 760 HB1 ALA 94 HB1 ALA 94 6.072 2.588 -1.541 761 HB2 ALA 94 HB2 ALA 94 4.672 3.153 -2.453 762 HB3 ALA 94 HB3 ALA 94 4.977 3.788 -0.836 763 H GLU 95 H GLU 95 8.618 3.589 -2.111 764 HA GLU 95 HA GLU 95 9.520 4.913 0.261 765 HB2 GLU 95 HB2 GLU 95 11.030 3.306 -1.841 766 HB3 GLU 95 HB3 GLU 95 11.740 3.856 -0.333 767 HG2 GLU 95 HG2 GLU 95 9.315 2.046 -0.381 768 HG3 GLU 95 HG3 GLU 95 10.947 1.409 -0.491 769 H GLU 96 H GLU 96 9.990 5.473 -3.239 770 HA GLU 96 HA GLU 96 12.043 7.419 -3.164 771 HB2 GLU 96 HB2 GLU 96 9.785 7.023 -5.186 772 HB3 GLU 96 HB3 GLU 96 11.077 8.188 -5.417 773 HG2 GLU 96 HG2 GLU 96 11.387 5.188 -5.272 774 HG3 GLU 96 HG3 GLU 96 11.444 6.171 -6.726 775 H TRP 97 H TRP 97 8.534 7.666 -3.211 776 HA TRP 97 HA TRP 97 8.260 10.456 -3.182 777 HB2 TRP 97 HB2 TRP 97 6.386 8.273 -2.169 778 HB3 TRP 97 HB3 TRP 97 5.920 9.953 -2.422 779 HD1 TRP 97 HD1 TRP 97 7.602 10.109 -5.335 780 HE1 TRP 97 HE1 TRP 97 6.460 9.046 -7.376 781 HE3 TRP 97 HE3 TRP 97 4.249 7.089 -2.922 782 HZ2 TRP 97 HZ2 TRP 97 4.412 7.182 -7.902 783 HZ3 TRP 97 HZ3 TRP 97 2.730 5.703 -4.273 784 HH2 TRP 97 HH2 TRP 97 2.820 5.757 -6.713 785 H LEU 98 H LEU 98 8.356 8.040 -0.582 786 HA LEU 98 HA LEU 98 7.877 9.683 1.628 787 HB2 LEU 98 HB2 LEU 98 7.806 7.222 1.712 788 HB3 LEU 98 HB3 LEU 98 9.540 7.142 1.426 789 HG LEU 98 HG LEU 98 9.957 8.230 3.627 790 HD11 LEU 98 HD11 LEU 98 6.951 8.117 3.990 791 HD12 LEU 98 HD12 LEU 98 7.938 9.575 3.825 792 HD13 LEU 98 HD13 LEU 98 8.128 8.538 5.237 793 HD21 LEU 98 HD21 LEU 98 8.199 5.761 3.802 794 HD22 LEU 98 HD22 LEU 98 9.316 6.329 5.047 795 HD23 LEU 98 HD23 LEU 98 9.938 5.786 3.492 796 H GLN 99 H GLN 99 10.978 8.744 0.129 797 HA GLN 99 HA GLN 99 12.770 10.092 1.848 798 HB2 GLN 99 HB2 GLN 99 13.037 9.413 -1.115 799 HB3 GLN 99 HB3 GLN 99 14.376 9.919 -0.090 800 HG2 GLN 99 HG2 GLN 99 14.345 7.900 1.156 801 HG3 GLN 99 HG3 GLN 99 12.750 7.448 0.558 802 HE21 GLN 99 HE21 GLN 99 15.237 5.896 0.467 803 HE22 GLN 99 HE22 GLN 99 15.511 5.543 -1.202 804 H ALA 100 H ALA 100 10.955 11.139 -0.952 805 HA ALA 100 HA ALA 100 12.191 13.714 -1.264 806 HB1 ALA 100 HB1 ALA 100 10.391 14.078 -2.921 807 HB2 ALA 100 HB2 ALA 100 9.599 12.590 -2.389 808 HB3 ALA 100 HB3 ALA 100 11.189 12.522 -3.153 809 H GLU 101 H GLU 101 9.407 12.451 0.491 810 HA GLU 101 HA GLU 101 8.221 14.946 1.247 811 HB2 GLU 101 HB2 GLU 101 8.012 12.179 2.512 812 HB3 GLU 101 HB3 GLU 101 7.016 13.554 2.968 813 HG2 GLU 101 HG2 GLU 101 7.054 12.276 0.232 814 HG3 GLU 101 HG3 GLU 101 5.872 11.943 1.487 815 H GLN 102 H GLN 102 10.851 13.004 2.504 816 HA GLN 102 HA GLN 102 11.068 14.371 5.034 817 HB2 GLN 102 HB2 GLN 102 13.230 12.770 3.583 818 HB3 GLN 102 HB3 GLN 102 13.226 13.224 5.284 819 HG2 GLN 102 HG2 GLN 102 11.400 11.238 3.913 820 HG3 GLN 102 HG3 GLN 102 12.650 10.893 5.102 821 HE21 GLN 102 HE21 GLN 102 9.729 10.344 5.055 822 HE22 GLN 102 HE22 GLN 102 9.120 10.994 6.533 823 H ASN 103 H ASN 103 11.117 16.556 4.668 824 HA ASN 103 HA ASN 103 12.689 17.863 2.685 825 HB2 ASN 103 HB2 ASN 103 10.678 18.923 3.684 826 HB3 ASN 103 HB3 ASN 103 11.472 18.988 5.256 827 HD21 ASN 103 HD21 ASN 103 13.036 20.585 5.625 828 HD22 ASN 103 HD22 ASN 103 13.313 21.891 4.530 829 H ASN 104 H ASN 104 14.826 17.413 2.732 830 HA ASN 104 HA ASN 104 16.392 17.740 5.226 831 HB2 ASN 104 HB2 ASN 104 16.402 15.424 4.267 832 HB3 ASN 104 HB3 ASN 104 17.035 16.056 2.750 833 HD21 ASN 104 HD21 ASN 104 19.230 16.792 2.704 834 HD22 ASN 104 HD22 ASN 104 20.359 16.320 3.926 Start of MODEL 15 1 H1 ALA 1 H1 ALA 1 -9.899 -15.640 2.642 2 H2 ALA 1 H2 ALA 1 -10.215 -15.760 0.990 3 H3 ALA 1 H3 ALA 1 -10.441 -17.103 1.990 4 HA ALA 1 HA ALA 1 -12.540 -16.088 1.391 5 HB1 ALA 1 HB1 ALA 1 -11.853 -15.733 4.333 6 HB2 ALA 1 HB2 ALA 1 -12.353 -17.247 3.577 7 HB3 ALA 1 HB3 ALA 1 -13.480 -15.890 3.662 8 H ASP 2 H ASP 2 -12.627 -14.258 0.161 9 HA ASP 2 HA ASP 2 -11.823 -11.634 1.311 10 HB2 ASP 2 HB2 ASP 2 -10.523 -12.676 -0.655 11 HB3 ASP 2 HB3 ASP 2 -11.954 -12.402 -1.633 12 H GLU 3 H GLU 3 -14.530 -13.196 1.122 13 HA GLU 3 HA GLU 3 -16.213 -11.709 -0.666 14 HB2 GLU 3 HB2 GLU 3 -16.989 -13.596 1.614 15 HB3 GLU 3 HB3 GLU 3 -18.100 -12.936 0.418 16 HG2 GLU 3 HG2 GLU 3 -17.565 -15.202 -0.209 17 HG3 GLU 3 HG3 GLU 3 -16.836 -14.099 -1.378 18 H ASN 4 H ASN 4 -15.531 -11.611 2.803 19 HA ASN 4 HA ASN 4 -17.331 -9.399 3.340 20 HB2 ASN 4 HB2 ASN 4 -15.199 -10.716 5.084 21 HB3 ASN 4 HB3 ASN 4 -16.221 -9.389 5.627 22 HD21 ASN 4 HD21 ASN 4 -16.077 -12.777 4.960 23 HD22 ASN 4 HD22 ASN 4 -17.654 -13.172 5.533 24 H ILE 5 H ILE 5 -13.964 -9.840 2.544 25 HA ILE 5 HA ILE 5 -12.971 -7.289 3.357 26 HB ILE 5 HB ILE 5 -11.842 -9.276 1.337 27 HG12 ILE 5 HG12 ILE 5 -11.218 -8.974 4.321 28 HG13 ILE 5 HG13 ILE 5 -12.151 -10.281 3.598 29 HG21 ILE 5 HG21 ILE 5 -9.660 -8.181 1.724 30 HG22 ILE 5 HG22 ILE 5 -10.441 -6.984 2.758 31 HG23 ILE 5 HG23 ILE 5 -10.838 -7.058 1.040 32 HD11 ILE 5 HD11 ILE 5 -10.185 -11.026 2.374 33 HD12 ILE 5 HD12 ILE 5 -9.876 -10.970 4.111 34 HD13 ILE 5 HD13 ILE 5 -9.241 -9.700 3.061 35 H ALA 6 H ALA 6 -14.321 -8.596 0.398 36 HA ALA 6 HA ALA 6 -13.615 -6.558 -1.418 37 HB1 ALA 6 HB1 ALA 6 -15.933 -8.506 -1.560 38 HB2 ALA 6 HB2 ALA 6 -14.286 -8.821 -2.108 39 HB3 ALA 6 HB3 ALA 6 -15.257 -7.587 -2.911 40 H LYS 7 H LYS 7 -16.209 -6.777 0.926 41 HA LYS 7 HA LYS 7 -18.022 -4.867 -0.130 42 HB2 LYS 7 HB2 LYS 7 -17.495 -5.516 2.797 43 HB3 LYS 7 HB3 LYS 7 -18.934 -4.723 2.156 44 HG2 LYS 7 HG2 LYS 7 -19.484 -6.810 0.897 45 HG3 LYS 7 HG3 LYS 7 -18.076 -7.592 1.621 46 HD2 LYS 7 HD2 LYS 7 -20.551 -6.567 3.075 47 HD3 LYS 7 HD3 LYS 7 -20.062 -8.251 2.870 48 HE2 LYS 7 HE2 LYS 7 -18.013 -7.768 4.246 49 HE3 LYS 7 HE3 LYS 7 -18.627 -6.139 4.523 50 HZ1 LYS 7 HZ1 LYS 7 -19.213 -7.434 6.385 51 HZ2 LYS 7 HZ2 LYS 7 -19.808 -8.697 5.432 52 HZ3 LYS 7 HZ3 LYS 7 -20.637 -7.229 5.500 53 H PHE 8 H PHE 8 -15.103 -4.544 1.832 54 HA PHE 8 HA PHE 8 -15.436 -1.835 2.637 55 HB2 PHE 8 HB2 PHE 8 -12.865 -3.442 2.353 56 HB3 PHE 8 HB3 PHE 8 -13.018 -1.921 3.220 57 HD1 PHE 8 HD1 PHE 8 -15.177 -2.068 5.019 58 HD2 PHE 8 HD2 PHE 8 -12.649 -5.288 3.757 59 HE1 PHE 8 HE1 PHE 8 -15.649 -3.281 7.116 60 HE2 PHE 8 HE2 PHE 8 -13.130 -6.487 5.848 61 HZ PHE 8 HZ PHE 8 -14.628 -5.487 7.529 62 H GLU 9 H GLU 9 -14.290 -3.289 -0.311 63 HA GLU 9 HA GLU 9 -12.697 -1.216 -1.381 64 HB2 GLU 9 HB2 GLU 9 -14.344 -3.308 -2.846 65 HB3 GLU 9 HB3 GLU 9 -13.049 -2.351 -3.557 66 HG2 GLU 9 HG2 GLU 9 -11.389 -3.441 -2.147 67 HG3 GLU 9 HG3 GLU 9 -12.653 -4.290 -1.254 68 H LYS 10 H LYS 10 -16.175 -1.603 -1.225 69 HA LYS 10 HA LYS 10 -16.983 0.253 -3.212 70 HB2 LYS 10 HB2 LYS 10 -18.566 -1.357 -2.222 71 HB3 LYS 10 HB3 LYS 10 -18.401 -0.588 -0.644 72 HG2 LYS 10 HG2 LYS 10 -19.325 1.534 -1.693 73 HG3 LYS 10 HG3 LYS 10 -19.665 0.587 -3.143 74 HD2 LYS 10 HD2 LYS 10 -21.194 -0.856 -1.847 75 HD3 LYS 10 HD3 LYS 10 -20.816 0.053 -0.377 76 HE2 LYS 10 HE2 LYS 10 -21.745 2.101 -1.432 77 HE3 LYS 10 HE3 LYS 10 -22.163 1.159 -2.864 78 HZ1 LYS 10 HZ1 LYS 10 -23.256 0.764 -0.132 79 HZ2 LYS 10 HZ2 LYS 10 -23.644 -0.174 -1.483 80 HZ3 LYS 10 HZ3 LYS 10 -24.061 1.458 -1.448 81 H ALA 11 H ALA 11 -15.975 0.631 0.143 82 HA ALA 11 HA ALA 11 -16.854 3.272 0.627 83 HB1 ALA 11 HB1 ALA 11 -16.164 1.747 2.433 84 HB2 ALA 11 HB2 ALA 11 -15.287 3.275 2.518 85 HB3 ALA 11 HB3 ALA 11 -14.491 1.833 1.878 86 H TYR 12 H TYR 12 -14.222 2.068 -1.256 87 HA TYR 12 HA TYR 12 -12.774 4.580 -1.377 88 HB2 TYR 12 HB2 TYR 12 -11.782 2.170 -1.654 89 HB3 TYR 12 HB3 TYR 12 -12.437 2.224 -3.285 90 HD1 TYR 12 HD1 TYR 12 -11.660 4.214 -4.815 91 HD2 TYR 12 HD2 TYR 12 -9.667 3.129 -1.196 92 HE1 TYR 12 HE1 TYR 12 -9.674 5.488 -5.522 93 HE2 TYR 12 HE2 TYR 12 -7.697 4.373 -1.912 94 HH TYR 12 HH TYR 12 -6.675 5.124 -4.109 95 H LYS 13 H LYS 13 -13.667 6.227 -2.496 96 HA LYS 13 HA LYS 13 -15.247 5.809 -4.946 97 HB2 LYS 13 HB2 LYS 13 -14.658 8.362 -3.367 98 HB3 LYS 13 HB3 LYS 13 -15.728 8.253 -4.764 99 HG2 LYS 13 HG2 LYS 13 -16.131 6.903 -2.081 100 HG3 LYS 13 HG3 LYS 13 -17.033 8.288 -2.700 101 HD2 LYS 13 HD2 LYS 13 -17.997 6.889 -4.486 102 HD3 LYS 13 HD3 LYS 13 -17.030 5.509 -3.960 103 HE2 LYS 13 HE2 LYS 13 -19.340 5.308 -3.163 104 HE3 LYS 13 HE3 LYS 13 -18.232 5.487 -1.804 105 HZ1 LYS 13 HZ1 LYS 13 -19.877 7.661 -2.978 106 HZ2 LYS 13 HZ2 LYS 13 -18.846 7.809 -1.650 107 HZ3 LYS 13 HZ3 LYS 13 -20.223 6.835 -1.548 108 H LYS 14 H LYS 14 -14.676 7.589 -6.716 109 HA LYS 14 HA LYS 14 -12.630 6.434 -8.085 110 HB2 LYS 14 HB2 LYS 14 -14.498 7.891 -9.016 111 HB3 LYS 14 HB3 LYS 14 -13.520 9.301 -8.620 112 HG2 LYS 14 HG2 LYS 14 -13.275 8.768 -10.986 113 HG3 LYS 14 HG3 LYS 14 -11.740 8.466 -10.166 114 HD2 LYS 14 HD2 LYS 14 -12.213 6.048 -10.132 115 HD3 LYS 14 HD3 LYS 14 -13.794 6.325 -10.867 116 HE2 LYS 14 HE2 LYS 14 -11.115 6.910 -12.166 117 HE3 LYS 14 HE3 LYS 14 -12.143 5.523 -12.512 118 HZ1 LYS 14 HZ1 LYS 14 -13.845 7.034 -13.320 119 HZ2 LYS 14 HZ2 LYS 14 -12.401 7.242 -14.169 120 HZ3 LYS 14 HZ3 LYS 14 -12.859 8.368 -12.995 121 H ALA 15 H ALA 15 -12.341 9.495 -6.289 122 HA ALA 15 HA ALA 15 -10.679 10.338 -5.026 123 HB1 ALA 15 HB1 ALA 15 -8.929 8.016 -5.865 124 HB2 ALA 15 HB2 ALA 15 -10.042 8.017 -4.495 125 HB3 ALA 15 HB3 ALA 15 -8.658 9.113 -4.507 126 H GLU 16 H GLU 16 -9.138 9.088 -8.000 127 HA GLU 16 HA GLU 16 -7.254 11.203 -8.264 128 HB2 GLU 16 HB2 GLU 16 -6.930 8.909 -9.198 129 HB3 GLU 16 HB3 GLU 16 -8.235 9.193 -10.345 130 HG2 GLU 16 HG2 GLU 16 -6.915 10.993 -11.407 131 HG3 GLU 16 HG3 GLU 16 -5.615 10.731 -10.243 132 H GLU 17 H GLU 17 -10.541 10.673 -9.423 133 HA GLU 17 HA GLU 17 -10.791 13.452 -10.195 134 HB2 GLU 17 HB2 GLU 17 -11.750 12.880 -12.480 135 HB3 GLU 17 HB3 GLU 17 -10.013 12.664 -12.314 136 HG2 GLU 17 HG2 GLU 17 -10.271 10.256 -12.133 137 HG3 GLU 17 HG3 GLU 17 -12.026 10.405 -12.122 138 H LEU 18 H LEU 18 -12.254 13.620 -8.531 139 HA LEU 18 HA LEU 18 -14.997 13.115 -9.285 140 HB2 LEU 18 HB2 LEU 18 -13.829 11.198 -7.571 141 HB3 LEU 18 HB3 LEU 18 -14.665 12.256 -6.455 142 HG LEU 18 HG LEU 18 -15.898 10.631 -8.721 143 HD11 LEU 18 HD11 LEU 18 -17.121 9.488 -6.930 144 HD12 LEU 18 HD12 LEU 18 -16.284 10.461 -5.719 145 HD13 LEU 18 HD13 LEU 18 -15.377 9.327 -6.725 146 HD21 LEU 18 HD21 LEU 18 -17.320 12.599 -6.897 147 HD22 LEU 18 HD22 LEU 18 -18.097 11.489 -8.030 148 HD23 LEU 18 HD23 LEU 18 -17.066 12.778 -8.635 149 H ASN 19 H ASN 19 -12.778 15.202 -8.376 150 HA ASN 19 HA ASN 19 -12.429 17.017 -7.076 151 HB2 ASN 19 HB2 ASN 19 -15.482 17.093 -7.013 152 HB3 ASN 19 HB3 ASN 19 -14.468 18.358 -6.322 153 HD21 ASN 19 HD21 ASN 19 -15.278 19.932 -7.707 154 HD22 ASN 19 HD22 ASN 19 -14.904 19.982 -9.390 155 H GLN 20 H GLN 20 -12.645 14.306 -5.928 156 HA GLN 20 HA GLN 20 -12.864 14.943 -3.063 157 HB2 GLN 20 HB2 GLN 20 -14.113 12.487 -4.405 158 HB3 GLN 20 HB3 GLN 20 -13.999 12.739 -2.665 159 HG2 GLN 20 HG2 GLN 20 -15.509 14.675 -2.833 160 HG3 GLN 20 HG3 GLN 20 -15.590 14.464 -4.582 161 HE21 GLN 20 HE21 GLN 20 -16.553 13.117 -1.491 162 HE22 GLN 20 HE22 GLN 20 -17.777 12.071 -2.114 163 H GLY 21 H GLY 21 -10.564 14.925 -2.993 164 HA2 GLY 21 HA2 GLY 21 -9.322 12.218 -3.181 165 HA3 GLY 21 HA3 GLY 21 -8.445 13.754 -3.081 166 H GLU 22 H GLU 22 -7.298 12.940 -1.196 167 HA GLU 22 HA GLU 22 -6.784 12.995 0.990 168 HB2 GLU 22 HB2 GLU 22 -7.795 15.190 1.034 169 HB3 GLU 22 HB3 GLU 22 -9.405 14.508 1.219 170 HG2 GLU 22 HG2 GLU 22 -8.783 13.673 3.468 171 HG3 GLU 22 HG3 GLU 22 -7.177 14.362 3.275 172 H LEU 23 H LEU 23 -10.274 12.473 1.158 173 HA LEU 23 HA LEU 23 -10.572 10.830 3.277 174 HB2 LEU 23 HB2 LEU 23 -12.147 10.583 0.685 175 HB3 LEU 23 HB3 LEU 23 -12.692 10.110 2.289 176 HG LEU 23 HG LEU 23 -12.164 12.964 1.371 177 HD11 LEU 23 HD11 LEU 23 -14.170 12.031 0.343 178 HD12 LEU 23 HD12 LEU 23 -14.594 13.275 1.515 179 HD13 LEU 23 HD13 LEU 23 -14.799 11.569 1.927 180 HD21 LEU 23 HD21 LEU 23 -13.217 11.991 4.052 181 HD22 LEU 23 HD22 LEU 23 -13.136 13.673 3.522 182 HD23 LEU 23 HD23 LEU 23 -11.652 12.753 3.749 183 H MET 24 H MET 24 -10.137 9.729 -0.086 184 HA MET 24 HA MET 24 -9.895 6.943 0.617 185 HB2 MET 24 HB2 MET 24 -9.619 8.457 -1.999 186 HB3 MET 24 HB3 MET 24 -9.241 6.749 -1.882 187 HG2 MET 24 HG2 MET 24 -11.472 6.963 -2.714 188 HG3 MET 24 HG3 MET 24 -11.547 6.314 -1.080 189 HE1 MET 24 HE1 MET 24 -12.617 10.647 -2.201 190 HE2 MET 24 HE2 MET 24 -11.883 9.466 -3.300 191 HE3 MET 24 HE3 MET 24 -10.943 10.149 -1.967 192 H GLY 25 H GLY 25 -7.918 5.894 -0.857 193 HA2 GLY 25 HA2 GLY 25 -5.607 5.549 -0.983 194 HA3 GLY 25 HA3 GLY 25 -5.338 6.943 0.061 195 H ARG 26 H ARG 26 -6.696 6.578 2.248 196 HA ARG 26 HA ARG 26 -5.355 4.682 3.782 197 HB2 ARG 26 HB2 ARG 26 -6.453 6.733 4.683 198 HB3 ARG 26 HB3 ARG 26 -8.029 6.000 4.410 199 HG2 ARG 26 HG2 ARG 26 -7.412 4.184 6.035 200 HG3 ARG 26 HG3 ARG 26 -5.896 5.034 6.354 201 HD2 ARG 26 HD2 ARG 26 -8.691 6.108 6.847 202 HD3 ARG 26 HD3 ARG 26 -7.574 5.525 8.084 203 HE ARG 26 HE ARG 26 -6.122 7.471 6.961 204 HH11 ARG 26 HH11 ARG 26 -9.485 7.516 8.002 205 HH12 ARG 26 HH12 ARG 26 -9.473 9.210 8.367 206 HH21 ARG 26 HH21 ARG 26 -6.123 9.694 7.432 207 HH22 ARG 26 HH22 ARG 26 -7.564 10.447 8.043 208 H ALA 27 H ALA 27 -8.458 4.491 2.104 209 HA ALA 27 HA ALA 27 -9.457 2.114 3.214 210 HB1 ALA 27 HB1 ALA 27 -9.934 3.202 0.419 211 HB2 ALA 27 HB2 ALA 27 -10.854 3.614 1.866 212 HB3 ALA 27 HB3 ALA 27 -10.901 1.968 1.236 213 H LEU 28 H LEU 28 -7.565 2.607 0.164 214 HA LEU 28 HA LEU 28 -7.411 -0.090 -0.526 215 HB2 LEU 28 HB2 LEU 28 -5.689 2.262 -1.263 216 HB3 LEU 28 HB3 LEU 28 -5.213 0.650 -1.771 217 HG LEU 28 HG LEU 28 -7.808 2.034 -2.513 218 HD11 LEU 28 HD11 LEU 28 -6.898 2.127 -4.785 219 HD12 LEU 28 HD12 LEU 28 -5.385 1.418 -4.211 220 HD13 LEU 28 HD13 LEU 28 -5.886 3.012 -3.644 221 HD21 LEU 28 HD21 LEU 28 -6.786 -0.677 -3.385 222 HD22 LEU 28 HD22 LEU 28 -8.210 0.145 -4.031 223 HD23 LEU 28 HD23 LEU 28 -8.178 -0.364 -2.347 224 H TYR 29 H TYR 29 -5.341 1.834 1.594 225 HA TYR 29 HA TYR 29 -3.263 -0.009 2.061 226 HB2 TYR 29 HB2 TYR 29 -2.943 2.291 2.778 227 HB3 TYR 29 HB3 TYR 29 -4.391 2.247 3.784 228 HD1 TYR 29 HD2 TYR 29 -1.006 0.647 3.447 229 HD2 TYR 29 HD1 TYR 29 -4.184 1.723 6.102 230 HE1 TYR 29 HE2 TYR 29 0.309 -0.148 5.354 231 HE2 TYR 29 HE1 TYR 29 -2.860 0.905 8.007 232 HH TYR 29 HH TYR 29 -1.047 -0.691 8.406 233 H ASN 30 H ASN 30 -6.304 0.557 3.909 234 HA ASN 30 HA ASN 30 -5.799 -1.352 5.953 235 HB2 ASN 30 HB2 ASN 30 -8.464 -0.170 5.068 236 HB3 ASN 30 HB3 ASN 30 -8.186 -1.028 6.579 237 HD21 ASN 30 HD21 ASN 30 -5.568 0.250 7.115 238 HD22 ASN 30 HD22 ASN 30 -5.936 1.877 7.559 239 H ILE 31 H ILE 31 -7.743 -1.502 3.002 240 HA ILE 31 HA ILE 31 -8.781 -4.141 3.349 241 HB ILE 31 HB ILE 31 -8.434 -2.659 0.692 242 HG12 ILE 31 HG12 ILE 31 -10.918 -2.488 2.451 243 HG13 ILE 31 HG13 ILE 31 -9.631 -1.291 2.532 244 HG21 ILE 31 HG21 ILE 31 -10.485 -4.752 1.527 245 HG22 ILE 31 HG22 ILE 31 -9.095 -5.036 0.483 246 HG23 ILE 31 HG23 ILE 31 -10.390 -3.964 -0.052 247 HD11 ILE 31 HD11 ILE 31 -11.468 -0.549 1.128 248 HD12 ILE 31 HD12 ILE 31 -11.249 -1.947 0.075 249 HD13 ILE 31 HD13 ILE 31 -9.980 -0.724 0.198 250 H GLY 32 H GLY 32 -5.935 -2.737 1.804 251 HA2 GLY 32 HA2 GLY 32 -4.950 -4.923 0.346 252 HA3 GLY 32 HA3 GLY 32 -3.988 -3.591 0.968 253 H LEU 33 H LEU 33 -4.436 -3.970 3.729 254 HA LEU 33 HA LEU 33 -2.547 -5.907 4.494 255 HB2 LEU 33 HB2 LEU 33 -4.769 -4.599 6.116 256 HB3 LEU 33 HB3 LEU 33 -3.482 -5.561 6.827 257 HG LEU 33 HG LEU 33 -3.040 -2.957 5.300 258 HD11 LEU 33 HD11 LEU 33 -2.598 -1.937 7.491 259 HD12 LEU 33 HD12 LEU 33 -3.040 -3.447 8.294 260 HD13 LEU 33 HD13 LEU 33 -4.251 -2.542 7.382 261 HD21 LEU 33 HD21 LEU 33 -1.090 -4.465 5.202 262 HD22 LEU 33 HD22 LEU 33 -1.086 -4.592 6.961 263 HD23 LEU 33 HD23 LEU 33 -0.752 -3.041 6.185 264 H GLU 34 H GLU 34 -6.068 -6.049 4.284 265 HA GLU 34 HA GLU 34 -6.470 -8.576 5.499 266 HB2 GLU 34 HB2 GLU 34 -8.191 -7.053 3.507 267 HB3 GLU 34 HB3 GLU 34 -8.729 -8.459 4.414 268 HG2 GLU 34 HG2 GLU 34 -7.947 -5.765 5.556 269 HG3 GLU 34 HG3 GLU 34 -9.573 -6.425 5.431 270 H LYS 35 H LYS 35 -6.023 -7.618 2.084 271 HA LYS 35 HA LYS 35 -6.245 -10.167 0.876 272 HB2 LYS 35 HB2 LYS 35 -4.845 -7.593 0.117 273 HB3 LYS 35 HB3 LYS 35 -4.499 -9.038 -0.820 274 HG2 LYS 35 HG2 LYS 35 -6.171 -7.664 -1.919 275 HG3 LYS 35 HG3 LYS 35 -6.859 -9.223 -1.453 276 HD2 LYS 35 HD2 LYS 35 -8.116 -8.252 0.319 277 HD3 LYS 35 HD3 LYS 35 -7.194 -6.747 0.259 278 HE2 LYS 35 HE2 LYS 35 -9.407 -6.421 -0.702 279 HE3 LYS 35 HE3 LYS 35 -8.178 -6.239 -1.945 280 HZ1 LYS 35 HZ1 LYS 35 -9.894 -8.603 -1.506 281 HZ2 LYS 35 HZ2 LYS 35 -8.697 -8.481 -2.691 282 HZ3 LYS 35 HZ3 LYS 35 -10.057 -7.475 -2.744 283 H ASN 36 H ASN 36 -3.448 -8.394 2.147 284 HA ASN 36 HA ASN 36 -1.381 -10.146 1.460 285 HB2 ASN 36 HB2 ASN 36 -1.153 -7.744 2.232 286 HB3 ASN 36 HB3 ASN 36 -1.473 -8.278 3.878 287 HD21 ASN 36 HD21 ASN 36 0.495 -7.582 4.634 288 HD22 ASN 36 HD22 ASN 36 2.001 -8.321 4.216 289 H LYS 37 H LYS 37 -3.427 -9.990 4.310 290 HA LYS 37 HA LYS 37 -2.200 -11.832 6.016 291 HB2 LYS 37 HB2 LYS 37 -3.823 -10.377 6.922 292 HB3 LYS 37 HB3 LYS 37 -5.023 -10.792 5.706 293 HG2 LYS 37 HG2 LYS 37 -5.512 -12.888 6.762 294 HG3 LYS 37 HG3 LYS 37 -4.097 -12.773 7.808 295 HD2 LYS 37 HD2 LYS 37 -6.320 -12.292 8.934 296 HD3 LYS 37 HD3 LYS 37 -5.087 -11.049 9.134 297 HE2 LYS 37 HE2 LYS 37 -7.320 -10.081 8.705 298 HE3 LYS 37 HE3 LYS 37 -6.176 -9.652 7.439 299 HZ1 LYS 37 HZ1 LYS 37 -8.185 -11.827 7.236 300 HZ2 LYS 37 HZ2 LYS 37 -7.180 -11.262 5.997 301 HZ3 LYS 37 HZ3 LYS 37 -8.393 -10.264 6.627 302 H MET 38 H MET 38 -4.503 -12.376 3.365 303 HA MET 38 HA MET 38 -4.847 -15.214 3.970 304 HB2 MET 38 HB2 MET 38 -5.790 -13.596 1.572 305 HB3 MET 38 HB3 MET 38 -6.280 -15.244 1.952 306 HG2 MET 38 HG2 MET 38 -7.332 -14.426 4.039 307 HG3 MET 38 HG3 MET 38 -6.886 -12.778 3.595 308 HE1 MET 38 HE1 MET 38 -8.934 -12.347 0.244 309 HE2 MET 38 HE2 MET 38 -7.320 -13.040 0.340 310 HE3 MET 38 HE3 MET 38 -7.729 -11.618 1.302 311 H GLY 39 H GLY 39 -2.630 -13.319 2.197 312 HA2 GLY 39 HA2 GLY 39 -0.636 -14.266 1.270 313 HA3 GLY 39 HA3 GLY 39 -1.541 -15.700 0.806 314 H LYS 40 H LYS 40 -3.335 -12.904 0.142 315 HA LYS 40 HA LYS 40 -2.719 -12.924 -2.711 316 HB2 LYS 40 HB2 LYS 40 -4.523 -10.945 -1.248 317 HB3 LYS 40 HB3 LYS 40 -4.547 -11.347 -2.956 318 HG2 LYS 40 HG2 LYS 40 -5.364 -13.201 -0.712 319 HG3 LYS 40 HG3 LYS 40 -6.470 -12.230 -1.685 320 HD2 LYS 40 HD2 LYS 40 -5.574 -13.476 -3.726 321 HD3 LYS 40 HD3 LYS 40 -4.746 -14.559 -2.600 322 HE2 LYS 40 HE2 LYS 40 -6.909 -15.180 -1.599 323 HE3 LYS 40 HE3 LYS 40 -7.743 -14.067 -2.688 324 HZ1 LYS 40 HZ1 LYS 40 -6.963 -15.387 -4.555 325 HZ2 LYS 40 HZ2 LYS 40 -7.875 -16.324 -3.486 326 HZ3 LYS 40 HZ3 LYS 40 -6.188 -16.453 -3.505 327 H ALA 41 H ALA 41 -0.376 -12.362 -1.822 328 HA ALA 41 HA ALA 41 0.075 -9.772 -0.658 329 HB1 ALA 41 HB1 ALA 41 2.439 -10.428 -0.678 330 HB2 ALA 41 HB2 ALA 41 2.069 -11.819 -1.699 331 HB3 ALA 41 HB3 ALA 41 1.431 -11.733 -0.056 332 H ARG 42 H ARG 42 0.276 -11.117 -3.902 333 HA ARG 42 HA ARG 42 1.558 -8.973 -5.236 334 HB2 ARG 42 HB2 ARG 42 1.361 -11.053 -6.404 335 HB3 ARG 42 HB3 ARG 42 -0.369 -11.150 -6.120 336 HG2 ARG 42 HG2 ARG 42 0.182 -10.689 -8.489 337 HG3 ARG 42 HG3 ARG 42 -0.797 -9.408 -7.771 338 HD2 ARG 42 HD2 ARG 42 1.192 -7.989 -7.536 339 HD3 ARG 42 HD3 ARG 42 2.217 -9.289 -8.163 340 HE ARG 42 HE ARG 42 0.376 -8.920 -10.130 341 HH11 ARG 42 HH11 ARG 42 2.595 -6.745 -8.516 342 HH12 ARG 42 HH12 ARG 42 2.767 -5.708 -9.888 343 HH21 ARG 42 HH21 ARG 42 0.646 -7.598 -11.936 344 HH22 ARG 42 HH22 ARG 42 1.657 -6.186 -11.837 345 H GLU 43 H GLU 43 -1.873 -9.745 -4.754 346 HA GLU 43 HA GLU 43 -2.964 -7.432 -5.979 347 HB2 GLU 43 HB2 GLU 43 -4.194 -9.317 -3.922 348 HB3 GLU 43 HB3 GLU 43 -5.088 -8.169 -4.922 349 HG2 GLU 43 HG2 GLU 43 -4.451 -9.376 -6.953 350 HG3 GLU 43 HG3 GLU 43 -3.431 -10.460 -6.012 351 H ALA 44 H ALA 44 -1.904 -8.166 -2.724 352 HA ALA 44 HA ALA 44 -3.053 -5.965 -1.343 353 HB1 ALA 44 HB1 ALA 44 -2.258 -7.988 -0.205 354 HB2 ALA 44 HB2 ALA 44 -1.461 -6.552 0.439 355 HB3 ALA 44 HB3 ALA 44 -0.596 -7.623 -0.670 356 H ALA 45 H ALA 45 0.113 -6.555 -2.840 357 HA ALA 45 HA ALA 45 1.428 -4.185 -2.113 358 HB1 ALA 45 HB1 ALA 45 1.858 -5.920 -4.570 359 HB2 ALA 45 HB2 ALA 45 2.585 -6.174 -2.983 360 HB3 ALA 45 HB3 ALA 45 3.007 -4.739 -3.922 361 H GLU 46 H GLU 46 -0.650 -4.961 -4.884 362 HA GLU 46 HA GLU 46 -0.469 -2.613 -6.396 363 HB2 GLU 46 HB2 GLU 46 -2.886 -4.404 -5.899 364 HB3 GLU 46 HB3 GLU 46 -2.804 -3.182 -7.163 365 HG2 GLU 46 HG2 GLU 46 -0.939 -5.560 -6.971 366 HG3 GLU 46 HG3 GLU 46 -2.408 -5.530 -7.941 367 H TYR 47 H TYR 47 -2.650 -3.449 -3.723 368 HA TYR 47 HA TYR 47 -4.163 -1.082 -3.636 369 HB2 TYR 47 HB2 TYR 47 -3.634 -3.314 -1.647 370 HB3 TYR 47 HB3 TYR 47 -4.568 -1.905 -1.161 371 HD1 TYR 47 HD2 TYR 47 -4.585 -3.829 -4.389 372 HD2 TYR 47 HD1 TYR 47 -6.798 -2.638 -0.935 373 HE1 TYR 47 HE2 TYR 47 -6.606 -4.865 -5.331 374 HE2 TYR 47 HE1 TYR 47 -8.817 -3.661 -1.880 375 HH TYR 47 HH TYR 47 -8.757 -5.803 -4.469 376 H PHE 48 H PHE 48 -1.242 -2.030 -1.797 377 HA PHE 48 HA PHE 48 -1.111 0.281 -0.152 378 HB2 PHE 48 HB2 PHE 48 1.146 -1.582 -0.995 379 HB3 PHE 48 HB3 PHE 48 1.244 -0.404 0.310 380 HD1 PHE 48 HD1 PHE 48 -1.242 -0.755 1.791 381 HD2 PHE 48 HD2 PHE 48 1.263 -3.710 -0.032 382 HE1 PHE 48 HE1 PHE 48 -2.026 -2.437 3.401 383 HE2 PHE 48 HE2 PHE 48 0.458 -5.381 1.581 384 HZ PHE 48 HZ PHE 48 -1.181 -4.747 3.291 385 H PHE 49 H PHE 49 0.072 -0.409 -3.381 386 HA PHE 49 HA PHE 49 1.894 1.777 -3.631 387 HB2 PHE 49 HB2 PHE 49 2.051 -0.246 -5.049 388 HB3 PHE 49 HB3 PHE 49 0.489 0.127 -5.775 389 HD1 PHE 49 HD2 PHE 49 3.760 1.870 -5.155 390 HD2 PHE 49 HD1 PHE 49 0.589 1.112 -7.922 391 HE1 PHE 49 HE2 PHE 49 4.904 3.196 -6.856 392 HE2 PHE 49 HE1 PHE 49 1.764 2.455 -9.623 393 HZ PHE 49 HZ PHE 49 3.941 3.498 -9.079 394 H ARG 50 H ARG 50 -1.395 1.204 -4.855 395 HA ARG 50 HA ARG 50 -1.762 3.753 -6.073 396 HB2 ARG 50 HB2 ARG 50 -3.856 1.764 -5.118 397 HB3 ARG 50 HB3 ARG 50 -4.120 3.058 -6.282 398 HG2 ARG 50 HG2 ARG 50 -2.776 1.955 -7.941 399 HG3 ARG 50 HG3 ARG 50 -2.165 0.792 -6.761 400 HD2 ARG 50 HD2 ARG 50 -4.547 -0.042 -6.495 401 HD3 ARG 50 HD3 ARG 50 -4.986 0.977 -7.873 402 HE ARG 50 HE ARG 50 -2.823 -0.990 -8.207 403 HH11 ARG 50 HH11 ARG 50 -6.126 -0.049 -8.940 404 HH12 ARG 50 HH12 ARG 50 -6.299 -1.199 -10.226 405 HH21 ARG 50 HH21 ARG 50 -3.066 -2.532 -9.864 406 HH22 ARG 50 HH22 ARG 50 -4.559 -2.609 -10.751 407 H ALA 51 H ALA 51 -2.394 2.440 -2.876 408 HA ALA 51 HA ALA 51 -3.785 4.581 -1.676 409 HB1 ALA 51 HB1 ALA 51 -1.813 2.633 -0.417 410 HB2 ALA 51 HB2 ALA 51 -3.551 2.384 -0.591 411 HB3 ALA 51 HB3 ALA 51 -2.950 3.664 0.463 412 H ALA 52 H ALA 52 -0.325 3.807 -1.952 413 HA ALA 52 HA ALA 52 0.720 6.014 -0.546 414 HB1 ALA 52 HB1 ALA 52 1.995 3.956 -0.948 415 HB2 ALA 52 HB2 ALA 52 2.881 5.365 -1.534 416 HB3 ALA 52 HB3 ALA 52 2.052 4.304 -2.677 417 H ILE 53 H ILE 53 -0.181 5.616 -3.953 418 HA ILE 53 HA ILE 53 0.890 7.982 -5.044 419 HB ILE 53 HB ILE 53 -1.623 6.415 -5.803 420 HG12 ILE 53 HG12 ILE 53 1.142 6.493 -7.105 421 HG13 ILE 53 HG13 ILE 53 0.545 5.199 -6.075 422 HG21 ILE 53 HG21 ILE 53 -1.635 7.619 -7.970 423 HG22 ILE 53 HG22 ILE 53 -0.321 8.649 -7.403 424 HG23 ILE 53 HG23 ILE 53 -1.897 8.726 -6.617 425 HD11 ILE 53 HD11 ILE 53 -0.540 5.973 -8.780 426 HD12 ILE 53 HD12 ILE 53 -1.199 4.711 -7.737 427 HD13 ILE 53 HD13 ILE 53 0.432 4.552 -8.387 428 H VAL 54 H VAL 54 -2.233 7.367 -3.426 429 HA VAL 54 HA VAL 54 -3.250 10.027 -3.665 430 HB VAL 54 HB VAL 54 -4.080 7.871 -1.668 431 HG11 VAL 54 HG11 VAL 54 -6.243 9.080 -1.555 432 HG12 VAL 54 HG12 VAL 54 -5.605 10.332 -2.623 433 HG13 VAL 54 HG13 VAL 54 -4.908 10.105 -1.018 434 HG21 VAL 54 HG21 VAL 54 -5.195 8.464 -4.437 435 HG22 VAL 54 HG22 VAL 54 -5.840 7.275 -3.301 436 HG23 VAL 54 HG23 VAL 54 -4.230 7.057 -3.988 437 H PHE 55 H PHE 55 -1.536 8.255 -1.076 438 HA PHE 55 HA PHE 55 -1.600 10.285 0.900 439 HB2 PHE 55 HB2 PHE 55 0.340 7.975 0.498 440 HB3 PHE 55 HB3 PHE 55 0.379 9.030 1.905 441 HD1 PHE 55 HD1 PHE 55 -2.444 9.326 2.661 442 HD2 PHE 55 HD2 PHE 55 -0.355 5.864 1.243 443 HE1 PHE 55 HE1 PHE 55 -4.011 7.862 3.874 444 HE2 PHE 55 HE2 PHE 55 -1.933 4.421 2.454 445 HZ PHE 55 HZ PHE 55 -3.751 5.417 3.770 446 H TYR 56 H TYR 56 0.464 9.770 -1.856 447 HA TYR 56 HA TYR 56 2.618 11.486 -1.079 448 HB2 TYR 56 HB2 TYR 56 2.971 9.710 -2.734 449 HB3 TYR 56 HB3 TYR 56 1.773 10.427 -3.811 450 HD1 TYR 56 HD2 TYR 56 4.885 11.529 -1.985 451 HD2 TYR 56 HD1 TYR 56 2.659 11.616 -5.631 452 HE1 TYR 56 HE2 TYR 56 6.640 12.875 -3.017 453 HE2 TYR 56 HE1 TYR 56 4.412 12.972 -6.661 454 HH TYR 56 HH TYR 56 6.242 14.592 -5.820 455 H LYS 57 H LYS 57 -0.055 11.897 -3.448 456 HA LYS 57 HA LYS 57 0.455 14.637 -3.995 457 HB2 LYS 57 HB2 LYS 57 -1.753 14.670 -5.107 458 HB3 LYS 57 HB3 LYS 57 -0.806 13.267 -5.580 459 HG2 LYS 57 HG2 LYS 57 -2.145 11.803 -4.188 460 HG3 LYS 57 HG3 LYS 57 -2.992 13.179 -3.481 461 HD2 LYS 57 HD2 LYS 57 -4.397 12.050 -5.154 462 HD3 LYS 57 HD3 LYS 57 -4.022 13.699 -5.649 463 HE2 LYS 57 HE2 LYS 57 -2.217 12.776 -7.136 464 HE3 LYS 57 HE3 LYS 57 -2.757 11.150 -6.711 465 HZ1 LYS 57 HZ1 LYS 57 -3.680 11.970 -8.822 466 HZ2 LYS 57 HZ2 LYS 57 -4.474 13.211 -7.997 467 HZ3 LYS 57 HZ3 LYS 57 -4.883 11.603 -7.696 468 H GLU 58 H GLU 58 -1.540 13.051 -1.548 469 HA GLU 58 HA GLU 58 -2.606 15.570 -0.534 470 HB2 GLU 58 HB2 GLU 58 -2.862 12.763 0.622 471 HB3 GLU 58 HB3 GLU 58 -3.733 14.189 1.178 472 HG2 GLU 58 HG2 GLU 58 -4.054 12.736 -1.458 473 HG3 GLU 58 HG3 GLU 58 -5.238 12.901 -0.164 474 H HIS 59 H HIS 59 0.295 14.002 -0.296 475 HA HIS 59 HA HIS 59 2.172 14.303 0.887 476 HB2 HIS 59 HB2 HIS 59 0.793 16.911 1.641 477 HB3 HIS 59 HB3 HIS 59 2.494 16.571 1.969 478 HD1 HIS 59 HD1 HIS 59 4.046 16.241 -0.173 479 HD2 HIS 59 HD2 HIS 59 0.242 17.683 -0.948 480 HE1 HIS 59 HE1 HIS 59 4.137 17.156 -2.501 481 HE2 HIS 59 HE2 HIS 59 1.763 17.772 -3.025 482 H ASP 60 H ASP 60 0.008 12.857 2.091 483 HA ASP 60 HA ASP 60 0.086 13.236 4.954 484 HB2 ASP 60 HB2 ASP 60 -1.964 12.480 3.676 485 HB3 ASP 60 HB3 ASP 60 -1.133 10.974 3.293 486 H THR 61 H THR 61 2.321 13.056 5.237 487 HA THR 61 HA THR 61 4.082 11.063 4.475 488 HB THR 61 HB THR 61 5.396 11.793 6.556 489 HG1 THR 61 HG1 THR 61 3.643 13.923 6.933 490 HG21 THR 61 HG21 THR 61 5.708 12.945 4.398 491 HG22 THR 61 HG22 THR 61 5.806 14.084 5.740 492 HG23 THR 61 HG23 THR 61 4.342 14.005 4.754 493 H ASP 62 H ASP 62 1.880 11.165 7.187 494 HA ASP 62 HA ASP 62 2.720 9.056 8.786 495 HB2 ASP 62 HB2 ASP 62 -0.099 10.083 8.214 496 HB3 ASP 62 HB3 ASP 62 0.293 8.981 9.533 497 H GLY 63 H GLY 63 0.272 9.027 6.179 498 HA2 GLY 63 HA2 GLY 63 -0.185 6.189 6.317 499 HA3 GLY 63 HA3 GLY 63 -0.845 7.304 5.130 500 H LEU 64 H LEU 64 1.623 8.355 4.159 501 HA LEU 64 HA LEU 64 2.192 6.529 2.091 502 HB2 LEU 64 HB2 LEU 64 2.452 8.967 1.869 503 HB3 LEU 64 HB3 LEU 64 3.744 8.962 3.055 504 HG LEU 64 HG LEU 64 5.104 7.536 1.412 505 HD11 LEU 64 HD11 LEU 64 4.506 7.600 -0.959 506 HD12 LEU 64 HD12 LEU 64 2.959 8.355 -0.565 507 HD13 LEU 64 HD13 LEU 64 3.305 6.709 -0.020 508 HD21 LEU 64 HD21 LEU 64 5.785 9.439 0.048 509 HD22 LEU 64 HD22 LEU 64 5.536 9.906 1.726 510 HD23 LEU 64 HD23 LEU 64 4.321 10.312 0.510 511 H ARG 65 H ARG 65 3.927 7.342 5.062 512 HA ARG 65 HA ARG 65 6.305 5.852 4.630 513 HB2 ARG 65 HB2 ARG 65 6.013 7.724 6.285 514 HB3 ARG 65 HB3 ARG 65 5.023 6.666 7.280 515 HG2 ARG 65 HG2 ARG 65 6.961 5.201 7.668 516 HG3 ARG 65 HG3 ARG 65 7.949 6.209 6.606 517 HD2 ARG 65 HD2 ARG 65 7.561 8.141 8.152 518 HD3 ARG 65 HD3 ARG 65 6.692 7.050 9.242 519 HE ARG 65 HE ARG 65 9.115 5.842 8.893 520 HH11 ARG 65 HH11 ARG 65 8.145 9.048 10.029 521 HH12 ARG 65 HH12 ARG 65 9.543 9.232 11.044 522 HH21 ARG 65 HH21 ARG 65 10.942 6.114 10.199 523 HH22 ARG 65 HH22 ARG 65 11.132 7.565 11.141 524 H ARG 66 H ARG 66 3.286 5.158 6.326 525 HA ARG 66 HA ARG 66 4.091 2.580 7.302 526 HB2 ARG 66 HB2 ARG 66 2.470 4.129 8.446 527 HB3 ARG 66 HB3 ARG 66 1.299 3.792 7.176 528 HG2 ARG 66 HG2 ARG 66 1.211 1.444 7.832 529 HG3 ARG 66 HG3 ARG 66 2.489 1.696 9.018 530 HD2 ARG 66 HD2 ARG 66 1.030 3.130 10.352 531 HD3 ARG 66 HD3 ARG 66 -0.240 3.030 9.124 532 HE ARG 66 HE ARG 66 0.391 0.424 9.906 533 HH11 ARG 66 HH11 ARG 66 -1.050 3.278 11.375 534 HH12 ARG 66 HH12 ARG 66 -2.021 2.359 12.481 535 HH21 ARG 66 HH21 ARG 66 -0.894 -0.766 11.337 536 HH22 ARG 66 HH22 ARG 66 -1.932 0.059 12.461 537 H ALA 67 H ALA 67 2.401 3.768 4.466 538 HA ALA 67 HA ALA 67 1.460 1.213 3.513 539 HB1 ALA 67 HB1 ALA 67 1.779 3.837 2.006 540 HB2 ALA 67 HB2 ALA 67 0.325 3.286 2.839 541 HB3 ALA 67 HB3 ALA 67 0.915 2.405 1.431 542 H ALA 68 H ALA 68 4.363 3.199 3.090 543 HA ALA 68 HA ALA 68 5.613 1.714 1.002 544 HB1 ALA 68 HB1 ALA 68 6.879 3.427 3.179 545 HB2 ALA 68 HB2 ALA 68 6.314 4.000 1.611 546 HB3 ALA 68 HB3 ALA 68 7.678 2.886 1.694 547 H LYS 69 H LYS 69 5.770 1.598 4.524 548 HA LYS 69 HA LYS 69 7.513 -0.546 4.955 549 HB2 LYS 69 HB2 LYS 69 5.153 0.603 6.472 550 HB3 LYS 69 HB3 LYS 69 5.958 -0.833 7.086 551 HG2 LYS 69 HG2 LYS 69 7.498 1.700 6.474 552 HG3 LYS 69 HG3 LYS 69 6.680 1.464 8.019 553 HD2 LYS 69 HD2 LYS 69 8.802 -0.400 6.877 554 HD3 LYS 69 HD3 LYS 69 9.094 0.844 8.096 555 HE2 LYS 69 HE2 LYS 69 7.600 -0.289 9.672 556 HE3 LYS 69 HE3 LYS 69 7.178 -1.494 8.450 557 HZ1 LYS 69 HZ1 LYS 69 8.796 -2.419 9.894 558 HZ2 LYS 69 HZ2 LYS 69 9.822 -1.090 9.727 559 HZ3 LYS 69 HZ3 LYS 69 9.557 -2.123 8.419 560 H SER 70 H SER 70 3.943 -0.586 4.656 561 HA SER 70 HA SER 70 3.658 -3.401 4.859 562 HB2 SER 70 HB2 SER 70 1.733 -1.295 3.799 563 HB3 SER 70 HB3 SER 70 1.294 -2.970 4.155 564 HG SER 70 HG SER 70 2.210 -0.982 5.944 565 H LEU 71 H LEU 71 4.235 -1.277 2.145 566 HA LEU 71 HA LEU 71 3.347 -2.916 0.020 567 HB2 LEU 71 HB2 LEU 71 4.342 -0.335 0.224 568 HB3 LEU 71 HB3 LEU 71 5.665 -1.137 -0.590 569 HG LEU 71 HG LEU 71 2.788 -1.078 -1.594 570 HD11 LEU 71 HD11 LEU 71 3.607 0.514 -3.284 571 HD12 LEU 71 HD12 LEU 71 5.172 0.558 -2.466 572 HD13 LEU 71 HD13 LEU 71 3.723 1.137 -1.639 573 HD21 LEU 71 HD21 LEU 71 5.290 -2.054 -3.004 574 HD22 LEU 71 HD22 LEU 71 3.676 -1.934 -3.712 575 HD23 LEU 71 HD23 LEU 71 3.977 -3.065 -2.395 576 H LYS 72 H LYS 72 6.618 -2.385 1.369 577 HA LYS 72 HA LYS 72 7.912 -4.262 -0.344 578 HB2 LYS 72 HB2 LYS 72 9.908 -3.911 1.065 579 HB3 LYS 72 HB3 LYS 72 9.150 -2.387 0.623 580 HG2 LYS 72 HG2 LYS 72 8.218 -2.116 2.845 581 HG3 LYS 72 HG3 LYS 72 8.735 -3.738 3.312 582 HD2 LYS 72 HD2 LYS 72 10.225 -2.049 4.279 583 HD3 LYS 72 HD3 LYS 72 11.098 -3.054 3.124 584 HE2 LYS 72 HE2 LYS 72 10.793 -1.225 1.420 585 HE3 LYS 72 HE3 LYS 72 10.092 -0.224 2.695 586 HZ1 LYS 72 HZ1 LYS 72 12.144 -0.323 3.902 587 HZ2 LYS 72 HZ2 LYS 72 12.471 0.189 2.327 588 HZ3 LYS 72 HZ3 LYS 72 12.818 -1.398 2.787 589 H GLU 73 H GLU 73 6.545 -4.510 2.902 590 HA GLU 73 HA GLU 73 7.663 -7.099 3.491 591 HB2 GLU 73 HB2 GLU 73 5.503 -5.460 4.877 592 HB3 GLU 73 HB3 GLU 73 6.117 -6.996 5.495 593 HG2 GLU 73 HG2 GLU 73 8.368 -6.067 5.712 594 HG3 GLU 73 HG3 GLU 73 7.852 -4.559 4.967 595 H ALA 74 H ALA 74 4.748 -5.963 1.918 596 HA ALA 74 HA ALA 74 3.435 -8.525 1.795 597 HB1 ALA 74 HB1 ALA 74 2.168 -6.438 1.489 598 HB2 ALA 74 HB2 ALA 74 2.005 -7.484 0.077 599 HB3 ALA 74 HB3 ALA 74 3.079 -6.081 0.020 600 H ILE 75 H ILE 75 5.785 -6.794 -0.187 601 HA ILE 75 HA ILE 75 5.696 -8.525 -2.461 602 HB ILE 75 HB ILE 75 7.742 -6.468 -1.569 603 HG12 ILE 75 HG12 ILE 75 5.721 -6.301 -3.853 604 HG13 ILE 75 HG13 ILE 75 5.351 -5.752 -2.222 605 HG21 ILE 75 HG21 ILE 75 7.608 -7.917 -4.245 606 HG22 ILE 75 HG22 ILE 75 8.855 -8.140 -3.016 607 HG23 ILE 75 HG23 ILE 75 8.700 -6.591 -3.841 608 HD11 ILE 75 HD11 ILE 75 6.009 -3.951 -3.730 609 HD12 ILE 75 HD12 ILE 75 7.597 -4.689 -3.904 610 HD13 ILE 75 HD13 ILE 75 7.067 -4.098 -2.330 611 H THR 76 H THR 76 7.797 -8.376 0.404 612 HA THR 76 HA THR 76 9.498 -10.546 -0.343 613 HB THR 76 HB THR 76 10.099 -10.598 2.122 614 HG1 THR 76 HG1 THR 76 7.871 -9.713 2.680 615 HG21 THR 76 HG21 THR 76 10.135 -7.850 0.817 616 HG22 THR 76 HG22 THR 76 11.322 -9.131 0.548 617 HG23 THR 76 HG23 THR 76 11.179 -8.377 2.138 618 H ALA 77 H ALA 77 6.265 -10.372 0.814 619 HA ALA 77 HA ALA 77 6.113 -13.138 1.695 620 HB1 ALA 77 HB1 ALA 77 3.921 -11.082 1.269 621 HB2 ALA 77 HB2 ALA 77 4.750 -11.417 2.790 622 HB3 ALA 77 HB3 ALA 77 3.733 -12.655 2.053 623 H ILE 78 H ILE 78 5.681 -11.344 -1.293 624 HA ILE 78 HA ILE 78 4.331 -13.430 -2.760 625 HB ILE 78 HB ILE 78 6.211 -11.345 -3.999 626 HG12 ILE 78 HG12 ILE 78 3.211 -10.967 -3.570 627 HG13 ILE 78 HG13 ILE 78 4.450 -10.215 -2.576 628 HG21 ILE 78 HG21 ILE 78 3.836 -12.857 -5.170 629 HG22 ILE 78 HG22 ILE 78 5.536 -13.209 -5.484 630 HG23 ILE 78 HG23 ILE 78 4.834 -11.688 -6.040 631 HD11 ILE 78 HD11 ILE 78 3.583 -8.665 -4.224 632 HD12 ILE 78 HD12 ILE 78 4.056 -9.747 -5.532 633 HD13 ILE 78 HD13 ILE 78 5.294 -8.988 -4.519 634 HA PRO 79 HA PRO 79 8.037 -16.102 -2.893 635 HB2 PRO 79 HB2 PRO 79 7.120 -17.865 -4.862 636 HB3 PRO 79 HB3 PRO 79 6.732 -17.991 -3.134 637 HG2 PRO 79 HG2 PRO 79 5.087 -16.813 -5.347 638 HG3 PRO 79 HG3 PRO 79 4.572 -17.828 -3.980 639 HD2 PRO 79 HD2 PRO 79 4.187 -15.159 -3.956 640 HD3 PRO 79 HD3 PRO 79 4.592 -16.045 -2.468 641 H GLU 80 H GLU 80 6.720 -15.917 -6.239 642 HA GLU 80 HA GLU 80 9.165 -14.561 -7.187 643 HB2 GLU 80 HB2 GLU 80 8.081 -17.130 -8.443 644 HB3 GLU 80 HB3 GLU 80 9.450 -16.191 -9.025 645 HG2 GLU 80 HG2 GLU 80 10.737 -16.763 -7.021 646 HG3 GLU 80 HG3 GLU 80 9.355 -17.637 -6.360 647 H GLU 81 H GLU 81 5.932 -15.847 -8.013 648 HA GLU 81 HA GLU 81 5.741 -14.683 -10.571 649 HB2 GLU 81 HB2 GLU 81 4.425 -16.659 -9.936 650 HB3 GLU 81 HB3 GLU 81 3.508 -15.703 -8.771 651 HG2 GLU 81 HG2 GLU 81 2.599 -14.326 -10.619 652 HG3 GLU 81 HG3 GLU 81 3.532 -15.266 -11.781 653 H GLU 82 H GLU 82 5.609 -12.636 -11.047 654 HA GLU 82 HA GLU 82 5.201 -10.440 -11.088 655 HB2 GLU 82 HB2 GLU 82 2.594 -11.316 -9.817 656 HB3 GLU 82 HB3 GLU 82 2.897 -9.680 -10.390 657 HG2 GLU 82 HG2 GLU 82 3.371 -10.707 -12.676 658 HG3 GLU 82 HG3 GLU 82 2.716 -12.212 -12.029 659 H GLY 83 H GLY 83 6.510 -11.606 -8.721 660 HA2 GLY 83 HA2 GLY 83 6.659 -9.079 -7.204 661 HA3 GLY 83 HA3 GLY 83 6.512 -10.605 -6.325 662 H ARG 84 H ARG 84 8.666 -9.676 -5.512 663 HA ARG 84 HA ARG 84 10.894 -10.031 -5.223 664 HB2 ARG 84 HB2 ARG 84 10.079 -12.407 -5.998 665 HB3 ARG 84 HB3 ARG 84 10.884 -12.034 -7.512 666 HG2 ARG 84 HG2 ARG 84 12.371 -13.363 -6.195 667 HG3 ARG 84 HG3 ARG 84 13.022 -11.724 -6.220 668 HD2 ARG 84 HD2 ARG 84 12.390 -11.320 -3.966 669 HD3 ARG 84 HD3 ARG 84 11.278 -12.694 -3.928 670 HE ARG 84 HE ARG 84 14.218 -12.785 -3.752 671 HH11 ARG 84 HH11 ARG 84 11.165 -14.532 -3.659 672 HH12 ARG 84 HH12 ARG 84 11.865 -15.954 -2.960 673 HH21 ARG 84 HH21 ARG 84 15.112 -14.659 -2.824 674 HH22 ARG 84 HH22 ARG 84 14.098 -16.027 -2.491 675 H LYS 85 H LYS 85 9.679 -8.600 -7.915 676 HA LYS 85 HA LYS 85 11.966 -7.241 -8.849 677 HB2 LYS 85 HB2 LYS 85 12.473 -9.432 -9.893 678 HB3 LYS 85 HB3 LYS 85 10.875 -9.475 -10.630 679 HG2 LYS 85 HG2 LYS 85 11.463 -7.487 -11.986 680 HG3 LYS 85 HG3 LYS 85 13.073 -7.476 -11.260 681 HD2 LYS 85 HD2 LYS 85 13.537 -9.701 -12.239 682 HD3 LYS 85 HD3 LYS 85 11.913 -9.744 -12.934 683 HE2 LYS 85 HE2 LYS 85 12.475 -7.733 -14.293 684 HE3 LYS 85 HE3 LYS 85 14.110 -7.766 -13.630 685 HZ1 LYS 85 HZ1 LYS 85 12.877 -9.949 -15.222 686 HZ2 LYS 85 HZ2 LYS 85 14.470 -9.900 -14.653 687 HZ3 LYS 85 HZ3 LYS 85 13.954 -8.798 -15.822 688 H GLU 86 H GLU 86 8.861 -8.590 -10.057 689 HA GLU 86 HA GLU 86 8.142 -6.400 -11.685 690 HB2 GLU 86 HB2 GLU 86 7.259 -8.621 -12.089 691 HB3 GLU 86 HB3 GLU 86 6.500 -8.662 -10.506 692 HG2 GLU 86 HG2 GLU 86 4.784 -8.338 -12.168 693 HG3 GLU 86 HG3 GLU 86 4.943 -6.848 -11.241 694 H ALA 87 H ALA 87 6.210 -7.445 -8.825 695 HA ALA 87 HA ALA 87 5.101 -4.894 -8.313 696 HB1 ALA 87 HB1 ALA 87 4.267 -5.866 -6.215 697 HB2 ALA 87 HB2 ALA 87 5.334 -7.261 -6.423 698 HB3 ALA 87 HB3 ALA 87 4.024 -6.972 -7.568 699 H LYS 88 H LYS 88 8.151 -6.279 -7.495 700 HA LYS 88 HA LYS 88 8.679 -5.215 -4.976 701 HB2 LYS 88 HB2 LYS 88 9.864 -7.106 -6.162 702 HB3 LYS 88 HB3 LYS 88 10.744 -5.920 -7.103 703 HG2 LYS 88 HG2 LYS 88 10.881 -5.895 -4.080 704 HG3 LYS 88 HG3 LYS 88 11.860 -7.033 -5.006 705 HD2 LYS 88 HD2 LYS 88 12.908 -5.120 -6.203 706 HD3 LYS 88 HD3 LYS 88 11.942 -4.002 -5.239 707 HE2 LYS 88 HE2 LYS 88 13.057 -4.823 -3.187 708 HE3 LYS 88 HE3 LYS 88 14.030 -5.929 -4.166 709 HZ1 LYS 88 HZ1 LYS 88 14.943 -3.999 -5.326 710 HZ2 LYS 88 HZ2 LYS 88 15.261 -3.937 -3.670 711 HZ3 LYS 88 HZ3 LYS 88 14.046 -2.965 -4.329 712 H GLU 89 H GLU 89 9.107 -3.813 -8.176 713 HA GLU 89 HA GLU 89 10.767 -1.617 -7.597 714 HB2 GLU 89 HB2 GLU 89 10.335 -2.378 -9.879 715 HB3 GLU 89 HB3 GLU 89 8.628 -1.966 -9.741 716 HG2 GLU 89 HG2 GLU 89 9.159 0.403 -9.624 717 HG3 GLU 89 HG3 GLU 89 10.885 0.055 -9.574 718 H MET 90 H MET 90 7.324 -2.090 -7.163 719 HA MET 90 HA MET 90 6.527 0.605 -6.817 720 HB2 MET 90 HB2 MET 90 5.236 -1.919 -5.734 721 HB3 MET 90 HB3 MET 90 4.476 -0.334 -5.792 722 HG2 MET 90 HG2 MET 90 4.798 -0.398 -8.309 723 HG3 MET 90 HG3 MET 90 5.245 -2.095 -8.120 724 HE1 MET 90 HE1 MET 90 1.869 -3.499 -6.511 725 HE2 MET 90 HE2 MET 90 3.165 -2.766 -5.568 726 HE3 MET 90 HE3 MET 90 3.547 -3.883 -6.880 727 H ALA 91 H ALA 91 7.808 -1.798 -4.538 728 HA ALA 91 HA ALA 91 7.420 -0.435 -2.113 729 HB1 ALA 91 HB1 ALA 91 8.248 -2.731 -2.171 730 HB2 ALA 91 HB2 ALA 91 9.373 -1.716 -1.270 731 HB3 ALA 91 HB3 ALA 91 9.753 -2.205 -2.924 732 H LYS 92 H LYS 92 10.130 -0.290 -4.426 733 HA LYS 92 HA LYS 92 11.723 1.663 -3.205 734 HB2 LYS 92 HB2 LYS 92 12.546 0.299 -5.065 735 HB3 LYS 92 HB3 LYS 92 11.364 1.004 -6.161 736 HG2 LYS 92 HG2 LYS 92 12.486 3.219 -5.898 737 HG3 LYS 92 HG3 LYS 92 13.691 2.464 -4.855 738 HD2 LYS 92 HD2 LYS 92 14.414 1.024 -6.742 739 HD3 LYS 92 HD3 LYS 92 13.192 1.768 -7.775 740 HE2 LYS 92 HE2 LYS 92 14.323 3.939 -7.580 741 HE3 LYS 92 HE3 LYS 92 15.513 3.241 -6.481 742 HZ1 LYS 92 HZ1 LYS 92 15.125 2.413 -9.314 743 HZ2 LYS 92 HZ2 LYS 92 16.302 1.828 -8.252 744 HZ3 LYS 92 HZ3 LYS 92 16.344 3.440 -8.750 745 H LYS 93 H LYS 93 9.014 1.950 -5.486 746 HA LYS 93 HA LYS 93 9.139 4.665 -6.135 747 HB2 LYS 93 HB2 LYS 93 6.849 2.688 -5.955 748 HB3 LYS 93 HB3 LYS 93 6.555 4.349 -6.444 749 HG2 LYS 93 HG2 LYS 93 8.492 2.508 -7.879 750 HG3 LYS 93 HG3 LYS 93 6.787 2.678 -8.316 751 HD2 LYS 93 HD2 LYS 93 7.153 5.125 -8.658 752 HD3 LYS 93 HD3 LYS 93 8.860 4.893 -8.317 753 HE2 LYS 93 HE2 LYS 93 9.003 3.364 -10.282 754 HE3 LYS 93 HE3 LYS 93 7.305 3.711 -10.625 755 HZ1 LYS 93 HZ1 LYS 93 9.509 5.693 -10.580 756 HZ2 LYS 93 HZ2 LYS 93 7.887 6.049 -10.877 757 HZ3 LYS 93 HZ3 LYS 93 8.750 5.086 -11.963 758 H ALA 94 H ALA 94 7.259 3.064 -3.557 759 HA ALA 94 HA ALA 94 6.022 5.360 -2.500 760 HB1 ALA 94 HB1 ALA 94 5.447 3.937 -0.586 761 HB2 ALA 94 HB2 ALA 94 6.621 2.730 -1.119 762 HB3 ALA 94 HB3 ALA 94 5.204 3.083 -2.109 763 H GLU 95 H GLU 95 9.135 3.887 -1.863 764 HA GLU 95 HA GLU 95 9.792 5.412 0.486 765 HB2 GLU 95 HB2 GLU 95 11.532 3.762 -1.390 766 HB3 GLU 95 HB3 GLU 95 12.072 4.442 0.144 767 HG2 GLU 95 HG2 GLU 95 10.446 3.049 1.359 768 HG3 GLU 95 HG3 GLU 95 9.850 2.400 -0.169 769 H GLU 96 H GLU 96 10.453 5.717 -3.001 770 HA GLU 96 HA GLU 96 12.297 7.872 -2.931 771 HB2 GLU 96 HB2 GLU 96 10.270 7.086 -5.072 772 HB3 GLU 96 HB3 GLU 96 11.530 8.290 -5.312 773 HG2 GLU 96 HG2 GLU 96 11.991 5.361 -4.729 774 HG3 GLU 96 HG3 GLU 96 12.071 6.103 -6.319 775 H TRP 97 H TRP 97 8.797 7.683 -3.167 776 HA TRP 97 HA TRP 97 8.173 10.426 -3.256 777 HB2 TRP 97 HB2 TRP 97 6.578 8.032 -2.246 778 HB3 TRP 97 HB3 TRP 97 5.895 9.639 -2.486 779 HD1 TRP 97 HD1 TRP 97 7.698 9.890 -5.396 780 HE1 TRP 97 HE1 TRP 97 6.643 8.760 -7.448 781 HE3 TRP 97 HE3 TRP 97 4.390 6.790 -3.015 782 HZ2 TRP 97 HZ2 TRP 97 4.683 6.823 -7.997 783 HZ3 TRP 97 HZ3 TRP 97 2.952 5.336 -4.391 784 HH2 TRP 97 HH2 TRP 97 3.096 5.362 -6.826 785 H LEU 98 H LEU 98 8.577 8.127 -0.605 786 HA LEU 98 HA LEU 98 7.751 9.736 1.545 787 HB2 LEU 98 HB2 LEU 98 7.946 7.272 1.615 788 HB3 LEU 98 HB3 LEU 98 9.693 7.399 1.508 789 HG LEU 98 HG LEU 98 9.763 8.475 3.739 790 HD11 LEU 98 HD11 LEU 98 6.755 8.077 3.808 791 HD12 LEU 98 HD12 LEU 98 7.605 9.625 3.739 792 HD13 LEU 98 HD13 LEU 98 7.763 8.597 5.162 793 HD21 LEU 98 HD21 LEU 98 9.972 6.028 3.567 794 HD22 LEU 98 HD22 LEU 98 8.222 5.856 3.737 795 HD23 LEU 98 HD23 LEU 98 9.182 6.497 5.073 796 H GLN 99 H GLN 99 10.869 9.434 -0.089 797 HA GLN 99 HA GLN 99 12.437 10.961 1.735 798 HB2 GLN 99 HB2 GLN 99 12.787 10.456 -1.254 799 HB3 GLN 99 HB3 GLN 99 13.987 11.268 -0.249 800 HG2 GLN 99 HG2 GLN 99 14.272 9.245 1.101 801 HG3 GLN 99 HG3 GLN 99 13.019 8.425 0.173 802 HE21 GLN 99 HE21 GLN 99 15.841 7.688 0.549 803 HE22 GLN 99 HE22 GLN 99 16.500 7.569 -1.045 804 H ALA 100 H ALA 100 10.710 11.834 -1.274 805 HA ALA 100 HA ALA 100 11.290 14.582 -1.347 806 HB1 ALA 100 HB1 ALA 100 8.792 13.189 -2.369 807 HB2 ALA 100 HB2 ALA 100 10.316 13.348 -3.243 808 HB3 ALA 100 HB3 ALA 100 9.368 14.788 -2.865 809 H GLU 101 H GLU 101 8.986 12.815 0.547 810 HA GLU 101 HA GLU 101 7.521 15.119 1.505 811 HB2 GLU 101 HB2 GLU 101 7.496 12.188 2.315 812 HB3 GLU 101 HB3 GLU 101 6.408 13.409 2.962 813 HG2 GLU 101 HG2 GLU 101 6.553 12.478 0.088 814 HG3 GLU 101 HG3 GLU 101 5.292 12.101 1.256 815 H GLN 102 H GLN 102 10.081 12.966 2.734 816 HA GLN 102 HA GLN 102 10.766 14.891 4.805 817 HB2 GLN 102 HB2 GLN 102 10.711 13.215 6.658 818 HB3 GLN 102 HB3 GLN 102 9.116 13.568 6.013 819 HG2 GLN 102 HG2 GLN 102 9.171 11.434 4.740 820 HG3 GLN 102 HG3 GLN 102 10.756 11.081 5.430 821 HE21 GLN 102 HE21 GLN 102 10.095 9.213 6.464 822 HE22 GLN 102 HE22 GLN 102 9.027 9.212 7.821 823 H ASN 103 H ASN 103 12.829 15.202 4.470 824 HA ASN 103 HA ASN 103 15.031 14.992 4.141 825 HB2 ASN 103 HB2 ASN 103 14.563 12.207 5.273 826 HB3 ASN 103 HB3 ASN 103 16.167 12.835 4.911 827 HD21 ASN 103 HD21 ASN 103 16.826 12.731 7.061 828 HD22 ASN 103 HD22 ASN 103 16.227 13.801 8.277 829 H ASN 104 H ASN 104 14.646 15.296 1.871 830 HA ASN 104 HA ASN 104 14.941 12.954 0.106 831 HB2 ASN 104 HB2 ASN 104 14.567 14.811 -1.744 832 HB3 ASN 104 HB3 ASN 104 13.209 14.230 -0.792 833 HD21 ASN 104 HD21 ASN 104 12.233 15.593 0.699 834 HD22 ASN 104 HD22 ASN 104 12.520 17.297 0.722 Start of MODEL 16 1 H1 ALA 1 H1 ALA 1 -13.022 -16.020 3.361 2 H2 ALA 1 H2 ALA 1 -14.615 -15.900 2.817 3 H3 ALA 1 H3 ALA 1 -14.236 -16.916 4.114 4 HA ALA 1 HA ALA 1 -15.310 -14.880 4.844 5 HB1 ALA 1 HB1 ALA 1 -13.716 -14.383 6.646 6 HB2 ALA 1 HB2 ALA 1 -12.420 -15.155 5.729 7 HB3 ALA 1 HB3 ALA 1 -13.772 -16.118 6.323 8 H ASP 2 H ASP 2 -13.664 -14.272 2.155 9 HA ASP 2 HA ASP 2 -12.440 -11.703 2.758 10 HB2 ASP 2 HB2 ASP 2 -11.551 -11.727 0.566 11 HB3 ASP 2 HB3 ASP 2 -11.524 -13.407 1.070 12 H GLU 3 H GLU 3 -15.575 -12.509 2.424 13 HA GLU 3 HA GLU 3 -16.809 -10.626 0.787 14 HB2 GLU 3 HB2 GLU 3 -17.817 -12.550 2.199 15 HB3 GLU 3 HB3 GLU 3 -17.827 -11.440 3.554 16 HG2 GLU 3 HG2 GLU 3 -19.318 -10.985 0.951 17 HG3 GLU 3 HG3 GLU 3 -20.032 -11.729 2.371 18 H ASN 4 H ASN 4 -15.392 -10.263 4.000 19 HA ASN 4 HA ASN 4 -16.229 -7.639 4.617 20 HB2 ASN 4 HB2 ASN 4 -13.707 -9.108 5.515 21 HB3 ASN 4 HB3 ASN 4 -14.363 -7.654 6.269 22 HD21 ASN 4 HD21 ASN 4 -16.234 -7.817 7.545 23 HD22 ASN 4 HD22 ASN 4 -16.865 -9.337 8.081 24 H ILE 5 H ILE 5 -13.359 -8.850 2.937 25 HA ILE 5 HA ILE 5 -11.998 -6.389 2.523 26 HB ILE 5 HB ILE 5 -11.881 -8.971 0.883 27 HG12 ILE 5 HG12 ILE 5 -10.138 -8.074 3.223 28 HG13 ILE 5 HG13 ILE 5 -11.359 -9.339 3.287 29 HG21 ILE 5 HG21 ILE 5 -10.918 -7.067 -0.353 30 HG22 ILE 5 HG22 ILE 5 -9.673 -8.224 0.112 31 HG23 ILE 5 HG23 ILE 5 -9.851 -6.715 1.010 32 HD11 ILE 5 HD11 ILE 5 -8.812 -9.405 1.676 33 HD12 ILE 5 HD12 ILE 5 -10.050 -10.663 1.691 34 HD13 ILE 5 HD13 ILE 5 -9.154 -10.290 3.162 35 H ALA 6 H ALA 6 -14.201 -8.321 0.545 36 HA ALA 6 HA ALA 6 -14.251 -6.709 -1.770 37 HB1 ALA 6 HB1 ALA 6 -16.192 -8.094 -2.403 38 HB2 ALA 6 HB2 ALA 6 -16.282 -8.725 -0.755 39 HB3 ALA 6 HB3 ALA 6 -14.876 -9.078 -1.763 40 H LYS 7 H LYS 7 -16.082 -6.618 1.237 41 HA LYS 7 HA LYS 7 -18.165 -4.838 0.591 42 HB2 LYS 7 HB2 LYS 7 -18.003 -6.090 2.763 43 HB3 LYS 7 HB3 LYS 7 -16.615 -5.110 3.212 44 HG2 LYS 7 HG2 LYS 7 -18.405 -4.163 4.417 45 HG3 LYS 7 HG3 LYS 7 -18.173 -3.074 3.052 46 HD2 LYS 7 HD2 LYS 7 -20.490 -3.277 3.087 47 HD3 LYS 7 HD3 LYS 7 -20.072 -4.540 1.930 48 HE2 LYS 7 HE2 LYS 7 -20.719 -4.921 4.874 49 HE3 LYS 7 HE3 LYS 7 -21.747 -5.342 3.514 50 HZ1 LYS 7 HZ1 LYS 7 -20.699 -7.300 4.363 51 HZ2 LYS 7 HZ2 LYS 7 -19.163 -6.618 4.226 52 HZ3 LYS 7 HZ3 LYS 7 -20.052 -6.978 2.836 53 H PHE 8 H PHE 8 -14.876 -4.279 1.817 54 HA PHE 8 HA PHE 8 -14.971 -1.471 2.019 55 HB2 PHE 8 HB2 PHE 8 -12.514 -3.202 1.513 56 HB3 PHE 8 HB3 PHE 8 -12.506 -1.557 2.129 57 HD1 PHE 8 HD1 PHE 8 -14.834 -1.956 4.166 58 HD2 PHE 8 HD2 PHE 8 -11.305 -4.223 3.291 59 HE1 PHE 8 HE1 PHE 8 -14.788 -2.806 6.476 60 HE2 PHE 8 HE2 PHE 8 -11.282 -5.074 5.600 61 HZ PHE 8 HZ PHE 8 -13.022 -4.366 7.189 62 H GLU 9 H GLU 9 -13.766 -3.611 -0.560 63 HA GLU 9 HA GLU 9 -12.838 -1.666 -2.388 64 HB2 GLU 9 HB2 GLU 9 -13.894 -4.474 -2.950 65 HB3 GLU 9 HB3 GLU 9 -12.939 -3.502 -4.067 66 HG2 GLU 9 HG2 GLU 9 -11.025 -3.564 -2.544 67 HG3 GLU 9 HG3 GLU 9 -11.978 -4.453 -1.355 68 H LYS 10 H LYS 10 -16.019 -3.037 -1.857 69 HA LYS 10 HA LYS 10 -17.261 -1.950 -4.212 70 HB2 LYS 10 HB2 LYS 10 -17.977 -4.049 -2.954 71 HB3 LYS 10 HB3 LYS 10 -18.610 -3.003 -1.690 72 HG2 LYS 10 HG2 LYS 10 -20.403 -3.766 -3.153 73 HG3 LYS 10 HG3 LYS 10 -20.201 -2.018 -3.307 74 HD2 LYS 10 HD2 LYS 10 -19.130 -2.241 -5.450 75 HD3 LYS 10 HD3 LYS 10 -18.947 -3.989 -5.258 76 HE2 LYS 10 HE2 LYS 10 -20.770 -3.412 -6.830 77 HE3 LYS 10 HE3 LYS 10 -21.382 -4.283 -5.423 78 HZ1 LYS 10 HZ1 LYS 10 -22.837 -2.482 -5.916 79 HZ2 LYS 10 HZ2 LYS 10 -21.570 -1.367 -5.947 80 HZ3 LYS 10 HZ3 LYS 10 -22.018 -2.093 -4.489 81 H ALA 11 H ALA 11 -16.755 -0.896 -0.919 82 HA ALA 11 HA ALA 11 -18.554 1.427 -1.174 83 HB1 ALA 11 HB1 ALA 11 -18.146 1.737 1.226 84 HB2 ALA 11 HB2 ALA 11 -16.965 0.423 1.219 85 HB3 ALA 11 HB3 ALA 11 -18.667 0.085 0.895 86 H TYR 12 H TYR 12 -15.340 0.709 -1.857 87 HA TYR 12 HA TYR 12 -14.453 3.522 -1.473 88 HB2 TYR 12 HB2 TYR 12 -13.095 2.115 -0.043 89 HB3 TYR 12 HB3 TYR 12 -12.853 0.920 -1.313 90 HD1 TYR 12 HD2 TYR 12 -12.016 4.419 -0.318 91 HD2 TYR 12 HD1 TYR 12 -10.959 1.123 -2.809 92 HE1 TYR 12 HE2 TYR 12 -9.992 5.590 -1.037 93 HE2 TYR 12 HE1 TYR 12 -8.953 2.317 -3.544 94 HH TYR 12 HH TYR 12 -8.094 4.570 -3.672 95 H LYS 13 H LYS 13 -14.209 4.577 -3.333 96 HA LYS 13 HA LYS 13 -12.857 3.363 -5.643 97 HB2 LYS 13 HB2 LYS 13 -15.520 4.859 -5.839 98 HB3 LYS 13 HB3 LYS 13 -14.491 4.522 -7.223 99 HG2 LYS 13 HG2 LYS 13 -15.851 2.458 -5.476 100 HG3 LYS 13 HG3 LYS 13 -16.367 2.957 -7.089 101 HD2 LYS 13 HD2 LYS 13 -14.398 1.984 -8.105 102 HD3 LYS 13 HD3 LYS 13 -13.655 1.696 -6.528 103 HE2 LYS 13 HE2 LYS 13 -15.484 0.079 -6.001 104 HE3 LYS 13 HE3 LYS 13 -16.134 0.324 -7.626 105 HZ1 LYS 13 HZ1 LYS 13 -14.127 -0.556 -8.567 106 HZ2 LYS 13 HZ2 LYS 13 -14.712 -1.652 -7.423 107 HZ3 LYS 13 HZ3 LYS 13 -13.397 -0.672 -7.047 108 H LYS 14 H LYS 14 -12.795 5.437 -7.351 109 HA LYS 14 HA LYS 14 -12.390 7.552 -7.961 110 HB2 LYS 14 HB2 LYS 14 -12.883 8.382 -5.079 111 HB3 LYS 14 HB3 LYS 14 -12.715 9.482 -6.442 112 HG2 LYS 14 HG2 LYS 14 -14.936 7.448 -6.062 113 HG3 LYS 14 HG3 LYS 14 -15.064 9.191 -5.817 114 HD2 LYS 14 HD2 LYS 14 -14.604 9.560 -8.229 115 HD3 LYS 14 HD3 LYS 14 -14.483 7.812 -8.467 116 HE2 LYS 14 HE2 LYS 14 -16.686 8.615 -9.167 117 HE3 LYS 14 HE3 LYS 14 -16.846 7.559 -7.763 118 HZ1 LYS 14 HZ1 LYS 14 -18.243 9.481 -7.515 119 HZ2 LYS 14 HZ2 LYS 14 -16.937 10.528 -7.753 120 HZ3 LYS 14 HZ3 LYS 14 -17.000 9.560 -6.370 121 H ALA 15 H ALA 15 -10.930 7.338 -4.707 122 HA ALA 15 HA ALA 15 -8.628 8.848 -5.338 123 HB1 ALA 15 HB1 ALA 15 -7.808 8.119 -3.133 124 HB2 ALA 15 HB2 ALA 15 -9.081 6.898 -3.059 125 HB3 ALA 15 HB3 ALA 15 -9.503 8.610 -3.056 126 H GLU 16 H GLU 16 -6.957 8.307 -6.497 127 HA GLU 16 HA GLU 16 -5.335 6.008 -6.183 128 HB2 GLU 16 HB2 GLU 16 -6.916 4.835 -7.651 129 HB3 GLU 16 HB3 GLU 16 -6.964 6.183 -8.778 130 HG2 GLU 16 HG2 GLU 16 -4.517 5.746 -9.268 131 HG3 GLU 16 HG3 GLU 16 -4.636 4.303 -8.270 132 H GLU 17 H GLU 17 -6.296 8.222 -8.772 133 HA GLU 17 HA GLU 17 -3.763 9.736 -8.555 134 HB2 GLU 17 HB2 GLU 17 -3.655 9.934 -10.991 135 HB3 GLU 17 HB3 GLU 17 -3.696 8.231 -10.544 136 HG2 GLU 17 HG2 GLU 17 -6.095 8.123 -11.106 137 HG3 GLU 17 HG3 GLU 17 -6.076 9.832 -11.542 138 H LEU 18 H LEU 18 -7.213 9.658 -9.009 139 HA LEU 18 HA LEU 18 -7.765 12.254 -9.942 140 HB2 LEU 18 HB2 LEU 18 -9.338 10.124 -9.524 141 HB3 LEU 18 HB3 LEU 18 -9.632 10.878 -7.974 142 HG LEU 18 HG LEU 18 -10.249 12.136 -10.691 143 HD11 LEU 18 HD11 LEU 18 -12.153 10.917 -8.666 144 HD12 LEU 18 HD12 LEU 18 -11.708 10.240 -10.234 145 HD13 LEU 18 HD13 LEU 18 -12.610 11.749 -10.160 146 HD21 LEU 18 HD21 LEU 18 -11.478 13.873 -9.486 147 HD22 LEU 18 HD22 LEU 18 -9.782 13.876 -9.017 148 HD23 LEU 18 HD23 LEU 18 -10.991 13.181 -7.935 149 H ASN 19 H ASN 19 -7.884 14.195 -8.914 150 HA ASN 19 HA ASN 19 -6.377 14.510 -6.504 151 HB2 ASN 19 HB2 ASN 19 -7.851 16.605 -8.169 152 HB3 ASN 19 HB3 ASN 19 -6.661 16.942 -6.913 153 HD21 ASN 19 HD21 ASN 19 -6.490 17.804 -9.616 154 HD22 ASN 19 HD22 ASN 19 -5.087 17.082 -10.315 155 H GLN 20 H GLN 20 -7.782 13.275 -5.123 156 HA GLN 20 HA GLN 20 -9.260 14.905 -3.363 157 HB2 GLN 20 HB2 GLN 20 -11.437 13.649 -3.402 158 HB3 GLN 20 HB3 GLN 20 -11.159 14.641 -4.826 159 HG2 GLN 20 HG2 GLN 20 -10.581 12.652 -6.129 160 HG3 GLN 20 HG3 GLN 20 -10.772 11.636 -4.705 161 HE21 GLN 20 HE21 GLN 20 -13.178 13.026 -3.753 162 HE22 GLN 20 HE22 GLN 20 -14.452 12.547 -4.806 163 H GLY 21 H GLY 21 -7.826 14.190 -1.867 164 HA2 GLY 21 HA2 GLY 21 -8.193 11.413 -0.867 165 HA3 GLY 21 HA3 GLY 21 -6.639 12.245 -0.822 166 H GLU 22 H GLU 22 -6.770 11.806 1.533 167 HA GLU 22 HA GLU 22 -7.266 12.193 3.731 168 HB2 GLU 22 HB2 GLU 22 -6.616 14.635 2.624 169 HB3 GLU 22 HB3 GLU 22 -8.204 15.015 3.264 170 HG2 GLU 22 HG2 GLU 22 -5.847 13.966 4.864 171 HG3 GLU 22 HG3 GLU 22 -6.400 15.634 4.820 172 H LEU 23 H LEU 23 -9.229 11.168 2.025 173 HA LEU 23 HA LEU 23 -11.721 11.459 3.541 174 HB2 LEU 23 HB2 LEU 23 -11.558 11.587 0.482 175 HB3 LEU 23 HB3 LEU 23 -13.045 11.446 1.402 176 HG LEU 23 HG LEU 23 -11.205 13.863 1.401 177 HD11 LEU 23 HD11 LEU 23 -12.981 14.974 0.116 178 HD12 LEU 23 HD12 LEU 23 -13.899 13.467 0.055 179 HD13 LEU 23 HD13 LEU 23 -12.330 13.582 -0.748 180 HD21 LEU 23 HD21 LEU 23 -13.014 15.023 2.607 181 HD22 LEU 23 HD22 LEU 23 -12.362 13.681 3.540 182 HD23 LEU 23 HD23 LEU 23 -13.917 13.508 2.721 183 H MET 24 H MET 24 -9.896 10.058 0.935 184 HA MET 24 HA MET 24 -10.709 7.286 1.546 185 HB2 MET 24 HB2 MET 24 -10.463 8.676 -1.156 186 HB3 MET 24 HB3 MET 24 -10.635 6.945 -0.967 187 HG2 MET 24 HG2 MET 24 -12.863 7.110 -0.256 188 HG3 MET 24 HG3 MET 24 -12.699 8.816 0.165 189 HE1 MET 24 HE1 MET 24 -12.523 10.537 -3.317 190 HE2 MET 24 HE2 MET 24 -11.126 9.904 -2.439 191 HE3 MET 24 HE3 MET 24 -12.417 10.736 -1.562 192 H GLY 25 H GLY 25 -9.098 5.771 0.339 193 HA2 GLY 25 HA2 GLY 25 -6.916 5.300 -0.492 194 HA3 GLY 25 HA3 GLY 25 -6.342 6.823 0.176 195 H ARG 26 H ARG 26 -7.484 6.577 2.746 196 HA ARG 26 HA ARG 26 -5.655 4.924 4.155 197 HB2 ARG 26 HB2 ARG 26 -6.743 7.067 4.987 198 HB3 ARG 26 HB3 ARG 26 -8.241 6.169 5.191 199 HG2 ARG 26 HG2 ARG 26 -7.103 4.709 6.867 200 HG3 ARG 26 HG3 ARG 26 -5.630 5.662 6.666 201 HD2 ARG 26 HD2 ARG 26 -6.894 7.693 7.407 202 HD3 ARG 26 HD3 ARG 26 -8.301 6.665 7.709 203 HE ARG 26 HE ARG 26 -6.051 5.671 9.118 204 HH11 ARG 26 HH11 ARG 26 -8.369 8.339 9.218 205 HH12 ARG 26 HH12 ARG 26 -8.223 8.566 10.930 206 HH21 ARG 26 HH21 ARG 26 -5.813 6.028 11.368 207 HH22 ARG 26 HH22 ARG 26 -6.767 7.252 12.151 208 H ALA 27 H ALA 27 -9.066 4.626 3.236 209 HA ALA 27 HA ALA 27 -9.730 2.179 4.417 210 HB1 ALA 27 HB1 ALA 27 -10.725 3.303 1.776 211 HB2 ALA 27 HB2 ALA 27 -11.386 3.674 3.368 212 HB3 ALA 27 HB3 ALA 27 -11.510 2.035 2.731 213 H LEU 28 H LEU 28 -8.187 2.914 1.311 214 HA LEU 28 HA LEU 28 -8.151 0.395 0.090 215 HB2 LEU 28 HB2 LEU 28 -7.477 2.857 -0.701 216 HB3 LEU 28 HB3 LEU 28 -5.859 2.335 -0.282 217 HG LEU 28 HG LEU 28 -7.687 1.247 -2.450 218 HD11 LEU 28 HD11 LEU 28 -4.940 2.509 -2.602 219 HD12 LEU 28 HD12 LEU 28 -6.476 3.272 -3.025 220 HD13 LEU 28 HD13 LEU 28 -5.890 1.907 -3.967 221 HD21 LEU 28 HD21 LEU 28 -5.977 -0.383 -3.067 222 HD22 LEU 28 HD22 LEU 28 -6.642 -0.704 -1.469 223 HD23 LEU 28 HD23 LEU 28 -5.048 0.037 -1.624 224 H TYR 29 H TYR 29 -5.867 1.964 2.280 225 HA TYR 29 HA TYR 29 -3.747 0.162 2.240 226 HB2 TYR 29 HB2 TYR 29 -3.590 2.411 3.186 227 HB3 TYR 29 HB3 TYR 29 -4.731 1.997 4.464 228 HD1 TYR 29 HD2 TYR 29 -1.378 1.018 3.102 229 HD2 TYR 29 HD1 TYR 29 -3.879 1.242 6.557 230 HE1 TYR 29 HE2 TYR 29 0.514 0.359 4.515 231 HE2 TYR 29 HE1 TYR 29 -1.980 0.574 7.974 232 HH TYR 29 HH TYR 29 1.252 0.482 6.814 233 H ASN 30 H ASN 30 -6.690 0.175 4.288 234 HA ASN 30 HA ASN 30 -5.993 -2.082 5.882 235 HB2 ASN 30 HB2 ASN 30 -8.789 -1.056 5.231 236 HB3 ASN 30 HB3 ASN 30 -8.386 -2.187 6.517 237 HD21 ASN 30 HD21 ASN 30 -8.418 1.108 5.534 238 HD22 ASN 30 HD22 ASN 30 -7.917 1.793 7.034 239 H ILE 31 H ILE 31 -7.778 -1.761 2.828 240 HA ILE 31 HA ILE 31 -8.771 -4.362 2.510 241 HB ILE 31 HB ILE 31 -7.740 -2.566 0.257 242 HG12 ILE 31 HG12 ILE 31 -10.532 -2.622 1.485 243 HG13 ILE 31 HG13 ILE 31 -9.347 -1.344 1.703 244 HG21 ILE 31 HG21 ILE 31 -9.346 -3.744 -1.179 245 HG22 ILE 31 HG22 ILE 31 -9.842 -4.758 0.174 246 HG23 ILE 31 HG23 ILE 31 -8.202 -4.881 -0.463 247 HD11 ILE 31 HD11 ILE 31 -10.674 -2.104 -0.896 248 HD12 ILE 31 HD12 ILE 31 -9.454 -0.842 -0.695 249 HD13 ILE 31 HD13 ILE 31 -11.020 -0.689 0.098 250 H GLY 32 H GLY 32 -5.697 -2.928 1.519 251 HA2 GLY 32 HA2 GLY 32 -4.517 -5.141 0.247 252 HA3 GLY 32 HA3 GLY 32 -3.667 -3.757 0.919 253 H LEU 33 H LEU 33 -4.376 -4.022 3.645 254 HA LEU 33 HA LEU 33 -2.448 -5.795 4.651 255 HB2 LEU 33 HB2 LEU 33 -4.871 -4.559 6.027 256 HB3 LEU 33 HB3 LEU 33 -3.642 -5.462 6.896 257 HG LEU 33 HG LEU 33 -3.177 -2.842 5.409 258 HD11 LEU 33 HD11 LEU 33 -3.323 -3.383 8.394 259 HD12 LEU 33 HD12 LEU 33 -4.538 -2.540 7.428 260 HD13 LEU 33 HD13 LEU 33 -2.936 -1.836 7.632 261 HD21 LEU 33 HD21 LEU 33 -1.166 -4.233 5.374 262 HD22 LEU 33 HD22 LEU 33 -1.258 -4.452 7.124 263 HD23 LEU 33 HD23 LEU 33 -0.951 -2.850 6.447 264 H GLU 34 H GLU 34 -5.987 -6.118 4.517 265 HA GLU 34 HA GLU 34 -6.181 -8.637 5.777 266 HB2 GLU 34 HB2 GLU 34 -8.154 -7.354 3.847 267 HB3 GLU 34 HB3 GLU 34 -8.510 -8.647 4.984 268 HG2 GLU 34 HG2 GLU 34 -7.826 -5.774 5.631 269 HG3 GLU 34 HG3 GLU 34 -9.365 -6.589 5.883 270 H LYS 35 H LYS 35 -5.895 -7.714 2.370 271 HA LYS 35 HA LYS 35 -6.230 -10.282 1.233 272 HB2 LYS 35 HB2 LYS 35 -4.972 -7.722 0.247 273 HB3 LYS 35 HB3 LYS 35 -4.827 -9.199 -0.709 274 HG2 LYS 35 HG2 LYS 35 -7.346 -9.385 -0.672 275 HG3 LYS 35 HG3 LYS 35 -7.401 -7.801 0.110 276 HD2 LYS 35 HD2 LYS 35 -6.339 -6.765 -1.817 277 HD3 LYS 35 HD3 LYS 35 -6.107 -8.339 -2.579 278 HE2 LYS 35 HE2 LYS 35 -8.816 -7.114 -1.961 279 HE3 LYS 35 HE3 LYS 35 -8.014 -7.038 -3.529 280 HZ1 LYS 35 HZ1 LYS 35 -8.111 -9.437 -3.678 281 HZ2 LYS 35 HZ2 LYS 35 -9.660 -8.806 -3.433 282 HZ3 LYS 35 HZ3 LYS 35 -8.831 -9.537 -2.154 283 H ASN 36 H ASN 36 -3.263 -8.525 2.212 284 HA ASN 36 HA ASN 36 -1.361 -10.462 1.430 285 HB2 ASN 36 HB2 ASN 36 -0.808 -8.097 2.005 286 HB3 ASN 36 HB3 ASN 36 -1.170 -8.421 3.695 287 HD21 ASN 36 HD21 ASN 36 0.971 -7.705 4.183 288 HD22 ASN 36 HD22 ASN 36 2.342 -8.729 3.938 289 H LYS 37 H LYS 37 -3.310 -10.148 4.316 290 HA LYS 37 HA LYS 37 -2.049 -12.109 5.955 291 HB2 LYS 37 HB2 LYS 37 -4.803 -10.814 5.993 292 HB3 LYS 37 HB3 LYS 37 -4.290 -11.969 7.220 293 HG2 LYS 37 HG2 LYS 37 -2.628 -10.519 8.085 294 HG3 LYS 37 HG3 LYS 37 -2.643 -9.495 6.646 295 HD2 LYS 37 HD2 LYS 37 -3.724 -8.364 8.550 296 HD3 LYS 37 HD3 LYS 37 -4.873 -8.645 7.243 297 HE2 LYS 37 HE2 LYS 37 -5.790 -10.584 8.485 298 HE3 LYS 37 HE3 LYS 37 -4.628 -10.288 9.784 299 HZ1 LYS 37 HZ1 LYS 37 -6.746 -9.314 10.338 300 HZ2 LYS 37 HZ2 LYS 37 -6.777 -8.426 8.906 301 HZ3 LYS 37 HZ3 LYS 37 -5.624 -8.082 10.089 302 H MET 38 H MET 38 -4.445 -12.338 3.388 303 HA MET 38 HA MET 38 -5.075 -15.146 3.987 304 HB2 MET 38 HB2 MET 38 -5.975 -13.447 1.626 305 HB3 MET 38 HB3 MET 38 -6.579 -15.045 2.038 306 HG2 MET 38 HG2 MET 38 -7.413 -14.049 4.211 307 HG3 MET 38 HG3 MET 38 -7.018 -12.467 3.538 308 HE1 MET 38 HE1 MET 38 -7.816 -13.666 0.311 309 HE2 MET 38 HE2 MET 38 -7.871 -11.987 0.853 310 HE3 MET 38 HE3 MET 38 -9.318 -12.753 0.201 311 H GLY 39 H GLY 39 -2.716 -13.430 2.233 312 HA2 GLY 39 HA2 GLY 39 -0.863 -14.527 1.208 313 HA3 GLY 39 HA3 GLY 39 -1.907 -15.845 0.707 314 H LYS 40 H LYS 40 -3.433 -12.897 0.205 315 HA LYS 40 HA LYS 40 -2.914 -12.893 -2.681 316 HB2 LYS 40 HB2 LYS 40 -4.819 -11.135 -1.065 317 HB3 LYS 40 HB3 LYS 40 -4.826 -11.351 -2.803 318 HG2 LYS 40 HG2 LYS 40 -5.497 -13.535 -0.810 319 HG3 LYS 40 HG3 LYS 40 -6.686 -12.485 -1.573 320 HD2 LYS 40 HD2 LYS 40 -6.800 -14.425 -2.880 321 HD3 LYS 40 HD3 LYS 40 -5.741 -13.390 -3.832 322 HE2 LYS 40 HE2 LYS 40 -3.790 -14.618 -3.037 323 HE3 LYS 40 HE3 LYS 40 -4.801 -15.577 -1.957 324 HZ1 LYS 40 HZ1 LYS 40 -5.944 -16.479 -3.901 325 HZ2 LYS 40 HZ2 LYS 40 -4.292 -16.819 -3.950 326 HZ3 LYS 40 HZ3 LYS 40 -4.935 -15.602 -4.936 327 H ALA 41 H ALA 41 -0.661 -12.232 -1.349 328 HA ALA 41 HA ALA 41 -0.269 -9.510 -0.658 329 HB1 ALA 41 HB1 ALA 41 1.118 -11.316 0.231 330 HB2 ALA 41 HB2 ALA 41 2.115 -10.119 -0.593 331 HB3 ALA 41 HB3 ALA 41 1.751 -11.656 -1.380 332 H ARG 42 H ARG 42 -0.146 -11.238 -3.683 333 HA ARG 42 HA ARG 42 1.317 -9.463 -5.291 334 HB2 ARG 42 HB2 ARG 42 0.729 -11.715 -6.061 335 HB3 ARG 42 HB3 ARG 42 -0.988 -11.331 -5.995 336 HG2 ARG 42 HG2 ARG 42 -0.221 -11.320 -8.303 337 HG3 ARG 42 HG3 ARG 42 -0.688 -9.687 -7.826 338 HD2 ARG 42 HD2 ARG 42 1.767 -9.191 -7.433 339 HD3 ARG 42 HD3 ARG 42 2.134 -10.782 -8.113 340 HE ARG 42 HE ARG 42 1.170 -10.044 -10.209 341 HH11 ARG 42 HH11 ARG 42 1.899 -7.489 -7.908 342 HH12 ARG 42 HH12 ARG 42 1.975 -6.246 -9.113 343 HH21 ARG 42 HH21 ARG 42 1.290 -8.418 -11.788 344 HH22 ARG 42 HH22 ARG 42 1.629 -6.780 -11.331 345 H GLU 43 H GLU 43 -2.218 -9.697 -4.733 346 HA GLU 43 HA GLU 43 -2.984 -7.329 -6.069 347 HB2 GLU 43 HB2 GLU 43 -4.346 -8.632 -3.670 348 HB3 GLU 43 HB3 GLU 43 -5.075 -7.461 -4.760 349 HG2 GLU 43 HG2 GLU 43 -4.818 -9.126 -6.633 350 HG3 GLU 43 HG3 GLU 43 -4.248 -10.299 -5.436 351 H ALA 44 H ALA 44 -2.147 -8.027 -2.703 352 HA ALA 44 HA ALA 44 -2.750 -5.601 -1.492 353 HB1 ALA 44 HB1 ALA 44 -2.276 -7.683 -0.269 354 HB2 ALA 44 HB2 ALA 44 -1.306 -6.339 0.338 355 HB3 ALA 44 HB3 ALA 44 -0.571 -7.561 -0.703 356 H ALA 45 H ALA 45 0.212 -6.585 -3.192 357 HA ALA 45 HA ALA 45 1.869 -4.417 -2.463 358 HB1 ALA 45 HB1 ALA 45 1.933 -6.090 -4.999 359 HB2 ALA 45 HB2 ALA 45 2.746 -6.472 -3.483 360 HB3 ALA 45 HB3 ALA 45 3.246 -5.055 -4.405 361 H GLU 46 H GLU 46 -0.191 -4.911 -5.345 362 HA GLU 46 HA GLU 46 0.110 -2.430 -6.614 363 HB2 GLU 46 HB2 GLU 46 -2.393 -4.167 -6.518 364 HB3 GLU 46 HB3 GLU 46 -2.049 -2.938 -7.724 365 HG2 GLU 46 HG2 GLU 46 -0.457 -5.477 -7.326 366 HG3 GLU 46 HG3 GLU 46 -1.719 -5.260 -8.533 367 H TYR 47 H TYR 47 -1.846 -3.391 -3.891 368 HA TYR 47 HA TYR 47 -3.646 -1.152 -3.886 369 HB2 TYR 47 HB2 TYR 47 -3.184 -3.518 -2.034 370 HB3 TYR 47 HB3 TYR 47 -4.273 -2.211 -1.573 371 HD1 TYR 47 HD2 TYR 47 -3.921 -3.443 -5.089 372 HD2 TYR 47 HD1 TYR 47 -6.295 -3.525 -1.542 373 HE1 TYR 47 HE2 TYR 47 -5.744 -4.500 -6.342 374 HE2 TYR 47 HE1 TYR 47 -8.123 -4.571 -2.804 375 HH TYR 47 HH TYR 47 -8.900 -4.788 -5.093 376 H PHE 48 H PHE 48 -0.732 -2.042 -2.046 377 HA PHE 48 HA PHE 48 -0.861 0.272 -0.317 378 HB2 PHE 48 HB2 PHE 48 1.473 -1.611 -0.874 379 HB3 PHE 48 HB3 PHE 48 1.451 -0.372 0.377 380 HD1 PHE 48 HD1 PHE 48 -1.125 -0.601 1.644 381 HD2 PHE 48 HD2 PHE 48 1.428 -3.696 0.172 382 HE1 PHE 48 HE1 PHE 48 -2.116 -2.181 3.238 383 HE2 PHE 48 HE2 PHE 48 0.424 -5.283 1.770 384 HZ PHE 48 HZ PHE 48 -1.347 -4.525 3.298 385 H PHE 49 H PHE 49 0.474 -0.467 -3.447 386 HA PHE 49 HA PHE 49 2.161 1.801 -3.734 387 HB2 PHE 49 HB2 PHE 49 2.230 -0.219 -5.237 388 HB3 PHE 49 HB3 PHE 49 0.682 0.268 -5.926 389 HD1 PHE 49 HD2 PHE 49 4.141 1.537 -5.338 390 HD2 PHE 49 HD1 PHE 49 0.694 1.685 -7.859 391 HE1 PHE 49 HE2 PHE 49 5.350 2.939 -6.924 392 HE2 PHE 49 HE1 PHE 49 1.929 3.106 -9.449 393 HZ PHE 49 HZ PHE 49 4.274 3.742 -8.974 394 H ARG 50 H ARG 50 -1.176 1.143 -4.813 395 HA ARG 50 HA ARG 50 -1.849 3.677 -5.796 396 HB2 ARG 50 HB2 ARG 50 -3.462 1.350 -4.737 397 HB3 ARG 50 HB3 ARG 50 -4.279 2.859 -5.112 398 HG2 ARG 50 HG2 ARG 50 -3.514 2.706 -7.447 399 HG3 ARG 50 HG3 ARG 50 -2.689 1.188 -7.089 400 HD2 ARG 50 HD2 ARG 50 -4.696 -0.007 -6.872 401 HD3 ARG 50 HD3 ARG 50 -5.639 1.431 -6.468 402 HE ARG 50 HE ARG 50 -4.657 1.591 -9.134 403 HH11 ARG 50 HH11 ARG 50 -7.165 -0.015 -7.231 404 HH12 ARG 50 HH12 ARG 50 -8.247 -0.190 -8.578 405 HH21 ARG 50 HH21 ARG 50 -6.109 1.447 -10.864 406 HH22 ARG 50 HH22 ARG 50 -7.641 0.644 -10.655 407 H ALA 51 H ALA 51 -2.276 2.291 -2.511 408 HA ALA 51 HA ALA 51 -3.534 4.471 -1.273 409 HB1 ALA 51 HB1 ALA 51 -1.649 2.421 -0.049 410 HB2 ALA 51 HB2 ALA 51 -3.393 2.244 -0.234 411 HB3 ALA 51 HB3 ALA 51 -2.752 3.476 0.852 412 H ALA 52 H ALA 52 -0.094 3.649 -1.676 413 HA ALA 52 HA ALA 52 1.069 5.732 -0.221 414 HB1 ALA 52 HB1 ALA 52 2.198 4.298 -2.650 415 HB2 ALA 52 HB2 ALA 52 2.341 3.776 -0.971 416 HB3 ALA 52 HB3 ALA 52 3.126 5.267 -1.490 417 H ILE 53 H ILE 53 0.013 5.627 -3.634 418 HA ILE 53 HA ILE 53 0.992 8.171 -4.410 419 HB ILE 53 HB ILE 53 -1.442 6.703 -5.545 420 HG12 ILE 53 HG12 ILE 53 1.414 6.722 -6.614 421 HG13 ILE 53 HG13 ILE 53 0.730 5.402 -5.682 422 HG21 ILE 53 HG21 ILE 53 -1.448 9.094 -6.159 423 HG22 ILE 53 HG22 ILE 53 -1.108 8.093 -7.569 424 HG23 ILE 53 HG23 ILE 53 0.205 8.956 -6.766 425 HD11 ILE 53 HD11 ILE 53 -0.228 6.338 -8.385 426 HD12 ILE 53 HD12 ILE 53 -0.926 5.019 -7.443 427 HD13 ILE 53 HD13 ILE 53 0.726 4.894 -8.043 428 H VAL 54 H VAL 54 -2.172 7.160 -3.023 429 HA VAL 54 HA VAL 54 -3.506 9.652 -3.277 430 HB VAL 54 HB VAL 54 -4.057 7.458 -1.215 431 HG11 VAL 54 HG11 VAL 54 -5.875 9.695 -2.206 432 HG12 VAL 54 HG12 VAL 54 -5.158 9.570 -0.598 433 HG13 VAL 54 HG13 VAL 54 -6.357 8.388 -1.122 434 HG21 VAL 54 HG21 VAL 54 -5.260 7.841 -3.984 435 HG22 VAL 54 HG22 VAL 54 -5.741 6.608 -2.812 436 HG23 VAL 54 HG23 VAL 54 -4.122 6.578 -3.514 437 H PHE 55 H PHE 55 -1.708 8.217 -0.537 438 HA PHE 55 HA PHE 55 -2.047 10.363 1.296 439 HB2 PHE 55 HB2 PHE 55 0.110 8.221 1.147 440 HB3 PHE 55 HB3 PHE 55 -0.074 9.332 2.500 441 HD1 PHE 55 HD1 PHE 55 -2.763 9.395 3.307 442 HD2 PHE 55 HD2 PHE 55 -0.661 6.070 1.619 443 HE1 PHE 55 HE1 PHE 55 -4.294 7.833 4.442 444 HE2 PHE 55 HE2 PHE 55 -2.197 4.523 2.753 445 HZ PHE 55 HZ PHE 55 -4.006 5.400 4.165 446 H TYR 56 H TYR 56 0.608 9.525 -0.916 447 HA TYR 56 HA TYR 56 2.348 11.667 -0.440 448 HB2 TYR 56 HB2 TYR 56 3.151 9.797 -1.692 449 HB3 TYR 56 HB3 TYR 56 1.839 9.896 -2.863 450 HD1 TYR 56 HD2 TYR 56 4.800 11.819 -1.616 451 HD2 TYR 56 HD1 TYR 56 2.240 10.984 -4.935 452 HE1 TYR 56 HE2 TYR 56 6.220 13.177 -3.053 453 HE2 TYR 56 HE1 TYR 56 3.661 12.359 -6.374 454 HH TYR 56 HH TYR 56 6.746 13.520 -5.391 455 H LYS 57 H LYS 57 -0.440 11.435 -2.561 456 HA LYS 57 HA LYS 57 -0.150 13.860 -3.987 457 HB2 LYS 57 HB2 LYS 57 -1.596 11.778 -4.543 458 HB3 LYS 57 HB3 LYS 57 -2.782 12.439 -3.426 459 HG2 LYS 57 HG2 LYS 57 -3.411 13.020 -5.675 460 HG3 LYS 57 HG3 LYS 57 -2.907 14.491 -4.840 461 HD2 LYS 57 HD2 LYS 57 -0.723 14.407 -5.971 462 HD3 LYS 57 HD3 LYS 57 -1.163 12.889 -6.754 463 HE2 LYS 57 HE2 LYS 57 -2.988 14.055 -7.951 464 HE3 LYS 57 HE3 LYS 57 -2.513 15.571 -7.181 465 HZ1 LYS 57 HZ1 LYS 57 -0.377 15.434 -8.271 466 HZ2 LYS 57 HZ2 LYS 57 -1.608 15.352 -9.425 467 HZ3 LYS 57 HZ3 LYS 57 -0.780 13.951 -8.968 468 H GLU 58 H GLU 58 -1.709 13.042 -0.925 469 HA GLU 58 HA GLU 58 -2.642 15.763 -0.416 470 HB2 GLU 58 HB2 GLU 58 -2.656 13.243 1.296 471 HB3 GLU 58 HB3 GLU 58 -3.357 14.780 1.791 472 HG2 GLU 58 HG2 GLU 58 -4.237 13.084 -0.552 473 HG3 GLU 58 HG3 GLU 58 -5.086 13.273 0.980 474 H HIS 59 H HIS 59 0.238 14.113 -0.190 475 HA HIS 59 HA HIS 59 2.263 14.479 0.661 476 HB2 HIS 59 HB2 HIS 59 1.138 17.205 1.431 477 HB3 HIS 59 HB3 HIS 59 2.836 16.764 1.605 478 HD1 HIS 59 HD1 HIS 59 4.250 16.521 -0.535 479 HD2 HIS 59 HD2 HIS 59 0.311 17.647 -1.237 480 HE1 HIS 59 HE1 HIS 59 4.172 17.264 -2.937 481 HE2 HIS 59 HE2 HIS 59 1.804 18.035 -3.302 482 H ASP 60 H ASP 60 0.041 13.326 2.222 483 HA ASP 60 HA ASP 60 0.634 13.766 5.010 484 HB2 ASP 60 HB2 ASP 60 -1.646 13.069 4.142 485 HB3 ASP 60 HB3 ASP 60 -0.968 11.503 3.712 486 H THR 61 H THR 61 2.681 13.290 5.449 487 HA THR 61 HA THR 61 4.323 11.437 4.165 488 HB THR 61 HB THR 61 5.898 11.867 6.135 489 HG1 THR 61 HG1 THR 61 3.783 12.493 7.436 490 HG21 THR 61 HG21 THR 61 5.965 13.260 4.108 491 HG22 THR 61 HG22 THR 61 6.323 14.206 5.551 492 HG23 THR 61 HG23 THR 61 4.734 14.329 4.789 493 H ASP 62 H ASP 62 2.396 11.131 7.123 494 HA ASP 62 HA ASP 62 3.772 8.802 8.089 495 HB2 ASP 62 HB2 ASP 62 1.127 10.073 8.919 496 HB3 ASP 62 HB3 ASP 62 1.821 8.668 9.725 497 H GLY 63 H GLY 63 0.777 9.335 6.244 498 HA2 GLY 63 HA2 GLY 63 -0.077 6.606 6.240 499 HA3 GLY 63 HA3 GLY 63 -0.587 7.862 5.119 500 H LEU 64 H LEU 64 1.721 8.600 3.944 501 HA LEU 64 HA LEU 64 2.281 6.709 1.956 502 HB2 LEU 64 HB2 LEU 64 2.617 9.083 1.616 503 HB3 LEU 64 HB3 LEU 64 3.766 9.166 2.939 504 HG LEU 64 HG LEU 64 5.405 7.850 1.580 505 HD11 LEU 64 HD11 LEU 64 3.901 6.603 0.126 506 HD12 LEU 64 HD12 LEU 64 5.063 7.534 -0.820 507 HD13 LEU 64 HD13 LEU 64 3.397 8.097 -0.672 508 HD21 LEU 64 HD21 LEU 64 4.389 10.370 0.237 509 HD22 LEU 64 HD22 LEU 64 6.000 9.667 0.062 510 HD23 LEU 64 HD23 LEU 64 5.481 10.295 1.623 511 H ARG 65 H ARG 65 3.894 7.437 4.984 512 HA ARG 65 HA ARG 65 6.245 5.866 4.747 513 HB2 ARG 65 HB2 ARG 65 6.027 7.720 6.309 514 HB3 ARG 65 HB3 ARG 65 4.659 6.958 7.104 515 HG2 ARG 65 HG2 ARG 65 6.153 5.225 8.032 516 HG3 ARG 65 HG3 ARG 65 7.530 5.979 7.214 517 HD2 ARG 65 HD2 ARG 65 7.173 8.058 8.486 518 HD3 ARG 65 HD3 ARG 65 5.757 7.351 9.272 519 HE ARG 65 HE ARG 65 8.091 5.783 9.737 520 HH11 ARG 65 HH11 ARG 65 6.495 8.758 10.774 521 HH12 ARG 65 HH12 ARG 65 7.234 8.751 12.345 522 HH21 ARG 65 HH21 ARG 65 9.024 5.776 11.815 523 HH22 ARG 65 HH22 ARG 65 8.669 7.056 12.931 524 H ARG 66 H ARG 66 3.056 5.266 6.182 525 HA ARG 66 HA ARG 66 3.559 2.637 7.128 526 HB2 ARG 66 HB2 ARG 66 0.958 4.078 6.479 527 HB3 ARG 66 HB3 ARG 66 1.012 2.471 7.192 528 HG2 ARG 66 HG2 ARG 66 2.103 5.005 8.449 529 HG3 ARG 66 HG3 ARG 66 0.607 4.185 8.893 530 HD2 ARG 66 HD2 ARG 66 1.947 2.177 9.547 531 HD3 ARG 66 HD3 ARG 66 3.424 3.082 9.190 532 HE ARG 66 HE ARG 66 2.301 4.720 10.932 533 HH11 ARG 66 HH11 ARG 66 2.636 1.205 11.144 534 HH12 ARG 66 HH12 ARG 66 2.684 1.204 12.879 535 HH21 ARG 66 HH21 ARG 66 2.334 4.684 13.178 536 HH22 ARG 66 HH22 ARG 66 2.513 3.185 14.028 537 H ALA 67 H ALA 67 2.236 3.914 4.103 538 HA ALA 67 HA ALA 67 1.452 1.391 2.981 539 HB1 ALA 67 HB1 ALA 67 0.339 3.495 2.369 540 HB2 ALA 67 HB2 ALA 67 1.011 2.710 0.940 541 HB3 ALA 67 HB3 ALA 67 1.829 4.106 1.653 542 H ALA 68 H ALA 68 4.365 3.338 2.941 543 HA ALA 68 HA ALA 68 5.653 2.157 0.678 544 HB1 ALA 68 HB1 ALA 68 7.648 3.340 1.481 545 HB2 ALA 68 HB2 ALA 68 6.858 3.660 3.030 546 HB3 ALA 68 HB3 ALA 68 6.235 4.392 1.548 547 H LYS 69 H LYS 69 6.127 1.758 4.194 548 HA LYS 69 HA LYS 69 7.881 -0.472 3.996 549 HB2 LYS 69 HB2 LYS 69 6.305 0.764 6.247 550 HB3 LYS 69 HB3 LYS 69 6.951 -0.858 6.481 551 HG2 LYS 69 HG2 LYS 69 8.481 0.792 7.394 552 HG3 LYS 69 HG3 LYS 69 9.221 -0.040 6.026 553 HD2 LYS 69 HD2 LYS 69 8.580 1.956 4.591 554 HD3 LYS 69 HD3 LYS 69 8.077 2.776 6.072 555 HE2 LYS 69 HE2 LYS 69 10.381 2.562 6.961 556 HE3 LYS 69 HE3 LYS 69 10.873 1.747 5.474 557 HZ1 LYS 69 HZ1 LYS 69 10.240 3.774 4.257 558 HZ2 LYS 69 HZ2 LYS 69 11.497 4.029 5.352 559 HZ3 LYS 69 HZ3 LYS 69 9.932 4.548 5.727 560 H SER 70 H SER 70 4.342 -0.243 4.354 561 HA SER 70 HA SER 70 3.869 -3.014 4.704 562 HB2 SER 70 HB2 SER 70 2.257 -1.127 5.254 563 HB3 SER 70 HB3 SER 70 1.891 -1.022 3.530 564 HG SER 70 HG SER 70 1.308 -3.268 3.670 565 H LEU 71 H LEU 71 4.366 -1.034 1.849 566 HA LEU 71 HA LEU 71 3.333 -2.686 -0.169 567 HB2 LEU 71 HB2 LEU 71 4.543 -0.234 -0.127 568 HB3 LEU 71 HB3 LEU 71 5.851 -1.183 -0.796 569 HG LEU 71 HG LEU 71 3.051 -0.975 -1.982 570 HD11 LEU 71 HD11 LEU 71 4.215 1.138 -2.116 571 HD12 LEU 71 HD12 LEU 71 4.053 0.415 -3.712 572 HD13 LEU 71 HD13 LEU 71 5.608 0.364 -2.875 573 HD21 LEU 71 HD21 LEU 71 5.526 -2.251 -3.188 574 HD22 LEU 71 HD22 LEU 71 3.952 -2.064 -3.971 575 HD23 LEU 71 HD23 LEU 71 4.116 -3.109 -2.562 576 H LYS 72 H LYS 72 6.677 -2.475 1.136 577 HA LYS 72 HA LYS 72 7.589 -4.753 -0.331 578 HB2 LYS 72 HB2 LYS 72 9.712 -4.539 0.938 579 HB3 LYS 72 HB3 LYS 72 9.198 -3.054 0.161 580 HG2 LYS 72 HG2 LYS 72 10.061 -2.360 2.217 581 HG3 LYS 72 HG3 LYS 72 8.315 -2.328 2.460 582 HD2 LYS 72 HD2 LYS 72 8.433 -4.473 3.658 583 HD3 LYS 72 HD3 LYS 72 10.170 -4.569 3.357 584 HE2 LYS 72 HE2 LYS 72 8.803 -2.398 4.984 585 HE3 LYS 72 HE3 LYS 72 9.630 -3.802 5.659 586 HZ1 LYS 72 HZ1 LYS 72 11.053 -1.871 5.684 587 HZ2 LYS 72 HZ2 LYS 72 10.883 -1.663 4.020 588 HZ3 LYS 72 HZ3 LYS 72 11.686 -3.022 4.623 589 H GLU 73 H GLU 73 6.141 -4.385 2.824 590 HA GLU 73 HA GLU 73 6.699 -6.958 3.895 591 HB2 GLU 73 HB2 GLU 73 4.391 -5.041 4.375 592 HB3 GLU 73 HB3 GLU 73 4.568 -6.551 5.266 593 HG2 GLU 73 HG2 GLU 73 6.723 -5.790 6.168 594 HG3 GLU 73 HG3 GLU 73 6.597 -4.302 5.231 595 H ALA 74 H ALA 74 4.185 -5.799 1.685 596 HA ALA 74 HA ALA 74 2.801 -8.281 1.427 597 HB1 ALA 74 HB1 ALA 74 1.773 -6.154 0.749 598 HB2 ALA 74 HB2 ALA 74 1.821 -7.284 -0.606 599 HB3 ALA 74 HB3 ALA 74 2.981 -5.954 -0.521 600 H ILE 75 H ILE 75 5.439 -6.710 -0.377 601 HA ILE 75 HA ILE 75 5.650 -8.499 -2.521 602 HB ILE 75 HB ILE 75 7.706 -6.623 -1.318 603 HG12 ILE 75 HG12 ILE 75 6.042 -6.242 -3.851 604 HG13 ILE 75 HG13 ILE 75 5.502 -5.688 -2.268 605 HG21 ILE 75 HG21 ILE 75 7.804 -8.035 -4.005 606 HG22 ILE 75 HG22 ILE 75 8.865 -8.345 -2.631 607 HG23 ILE 75 HG23 ILE 75 8.926 -6.790 -3.454 608 HD11 ILE 75 HD11 ILE 75 8.053 -4.809 -3.601 609 HD12 ILE 75 HD12 ILE 75 7.374 -4.203 -2.090 610 HD13 ILE 75 HD13 ILE 75 6.532 -3.922 -3.609 611 H THR 76 H THR 76 7.448 -8.467 0.549 612 HA THR 76 HA THR 76 9.150 -10.668 -0.099 613 HB THR 76 HB THR 76 9.759 -8.984 1.623 614 HG1 THR 76 HG1 THR 76 10.181 -10.775 3.341 615 HG21 THR 76 HG21 THR 76 7.642 -10.297 3.366 616 HG22 THR 76 HG22 THR 76 7.533 -8.673 2.679 617 HG23 THR 76 HG23 THR 76 8.780 -9.047 3.871 618 H ALA 77 H ALA 77 5.888 -10.399 0.957 619 HA ALA 77 HA ALA 77 5.669 -13.189 1.830 620 HB1 ALA 77 HB1 ALA 77 3.402 -12.563 2.539 621 HB2 ALA 77 HB2 ALA 77 3.608 -10.959 1.827 622 HB3 ALA 77 HB3 ALA 77 4.600 -11.449 3.201 623 H ILE 78 H ILE 78 5.279 -11.374 -1.078 624 HA ILE 78 HA ILE 78 3.229 -12.855 -2.376 625 HB ILE 78 HB ILE 78 5.641 -11.494 -3.700 626 HG12 ILE 78 HG12 ILE 78 2.815 -10.417 -3.336 627 HG13 ILE 78 HG13 ILE 78 4.229 -9.877 -2.445 628 HG21 ILE 78 HG21 ILE 78 4.580 -13.160 -5.199 629 HG22 ILE 78 HG22 ILE 78 4.353 -11.519 -5.803 630 HG23 ILE 78 HG23 ILE 78 3.025 -12.355 -4.992 631 HD11 ILE 78 HD11 ILE 78 5.217 -9.023 -4.532 632 HD12 ILE 78 HD12 ILE 78 3.646 -8.298 -4.186 633 HD13 ILE 78 HD13 ILE 78 3.780 -9.552 -5.418 634 HA PRO 79 HA PRO 79 5.537 -16.778 -2.979 635 HB2 PRO 79 HB2 PRO 79 3.824 -17.946 -4.813 636 HB3 PRO 79 HB3 PRO 79 3.462 -17.879 -3.078 637 HG2 PRO 79 HG2 PRO 79 2.501 -16.059 -5.263 638 HG3 PRO 79 HG3 PRO 79 1.574 -16.829 -3.953 639 HD2 PRO 79 HD2 PRO 79 2.360 -14.262 -3.756 640 HD3 PRO 79 HD3 PRO 79 2.351 -15.324 -2.326 641 H GLU 80 H GLU 80 5.690 -18.084 -5.427 642 HA GLU 80 HA GLU 80 7.748 -16.741 -6.770 643 HB2 GLU 80 HB2 GLU 80 6.027 -19.055 -7.741 644 HB3 GLU 80 HB3 GLU 80 7.550 -18.564 -8.474 645 HG2 GLU 80 HG2 GLU 80 8.773 -19.159 -6.447 646 HG3 GLU 80 HG3 GLU 80 7.274 -19.527 -5.603 647 H GLU 81 H GLU 81 4.366 -17.295 -7.829 648 HA GLU 81 HA GLU 81 2.884 -16.066 -8.979 649 HB2 GLU 81 HB2 GLU 81 4.487 -14.127 -7.475 650 HB3 GLU 81 HB3 GLU 81 3.912 -13.385 -8.957 651 HG2 GLU 81 HG2 GLU 81 2.153 -14.746 -6.903 652 HG3 GLU 81 HG3 GLU 81 2.402 -13.006 -7.039 653 H GLU 82 H GLU 82 2.826 -14.049 -10.689 654 HA GLU 82 HA GLU 82 4.743 -14.594 -12.880 655 HB2 GLU 82 HB2 GLU 82 2.333 -14.987 -13.423 656 HB3 GLU 82 HB3 GLU 82 1.954 -13.331 -12.966 657 HG2 GLU 82 HG2 GLU 82 3.390 -12.505 -14.822 658 HG3 GLU 82 HG3 GLU 82 3.708 -14.172 -15.301 659 H GLY 83 H GLY 83 3.180 -12.091 -10.904 660 HA2 GLY 83 HA2 GLY 83 4.895 -9.965 -12.076 661 HA3 GLY 83 HA3 GLY 83 3.324 -9.734 -11.326 662 H ARG 84 H ARG 84 6.155 -11.569 -10.152 663 HA ARG 84 HA ARG 84 5.915 -10.458 -7.507 664 HB2 ARG 84 HB2 ARG 84 6.908 -12.826 -8.475 665 HB3 ARG 84 HB3 ARG 84 8.415 -11.949 -8.290 666 HG2 ARG 84 HG2 ARG 84 6.391 -12.532 -6.117 667 HG3 ARG 84 HG3 ARG 84 7.930 -13.348 -6.344 668 HD2 ARG 84 HD2 ARG 84 7.640 -10.400 -5.670 669 HD3 ARG 84 HD3 ARG 84 7.929 -11.684 -4.490 670 HE ARG 84 HE ARG 84 9.848 -11.664 -6.630 671 HH11 ARG 84 HH11 ARG 84 9.092 -10.237 -3.501 672 HH12 ARG 84 HH12 ARG 84 10.743 -9.842 -3.152 673 HH21 ARG 84 HH21 ARG 84 12.022 -11.211 -6.120 674 HH22 ARG 84 HH22 ARG 84 12.404 -10.396 -4.639 675 H LYS 85 H LYS 85 8.187 -10.154 -10.190 676 HA LYS 85 HA LYS 85 10.158 -8.562 -8.889 677 HB2 LYS 85 HB2 LYS 85 10.691 -10.072 -10.735 678 HB3 LYS 85 HB3 LYS 85 9.643 -9.177 -11.822 679 HG2 LYS 85 HG2 LYS 85 11.200 -7.199 -11.585 680 HG3 LYS 85 HG3 LYS 85 12.269 -8.228 -10.627 681 HD2 LYS 85 HD2 LYS 85 13.042 -8.148 -12.966 682 HD3 LYS 85 HD3 LYS 85 12.512 -9.782 -12.553 683 HE2 LYS 85 HE2 LYS 85 10.291 -9.242 -13.635 684 HE3 LYS 85 HE3 LYS 85 10.987 -7.714 -14.173 685 HZ1 LYS 85 HZ1 LYS 85 11.107 -9.363 -15.916 686 HZ2 LYS 85 HZ2 LYS 85 11.955 -10.427 -14.912 687 HZ3 LYS 85 HZ3 LYS 85 12.667 -8.977 -15.400 688 H GLU 86 H GLU 86 7.512 -7.762 -11.152 689 HA GLU 86 HA GLU 86 8.132 -4.997 -11.454 690 HB2 GLU 86 HB2 GLU 86 5.844 -4.760 -12.388 691 HB3 GLU 86 HB3 GLU 86 6.701 -6.129 -13.088 692 HG2 GLU 86 HG2 GLU 86 5.411 -7.708 -11.811 693 HG3 GLU 86 HG3 GLU 86 4.711 -6.432 -10.822 694 H ALA 87 H ALA 87 6.072 -6.786 -9.206 695 HA ALA 87 HA ALA 87 4.979 -4.567 -7.826 696 HB1 ALA 87 HB1 ALA 87 3.987 -6.814 -7.710 697 HB2 ALA 87 HB2 ALA 87 4.342 -6.185 -6.099 698 HB3 ALA 87 HB3 ALA 87 5.397 -7.401 -6.827 699 H LYS 88 H LYS 88 7.914 -6.506 -7.371 700 HA LYS 88 HA LYS 88 8.799 -5.450 -4.922 701 HB2 LYS 88 HB2 LYS 88 9.625 -7.538 -6.267 702 HB3 LYS 88 HB3 LYS 88 10.678 -6.430 -7.119 703 HG2 LYS 88 HG2 LYS 88 10.729 -6.749 -4.104 704 HG3 LYS 88 HG3 LYS 88 11.689 -7.760 -5.176 705 HD2 LYS 88 HD2 LYS 88 12.931 -5.799 -5.963 706 HD3 LYS 88 HD3 LYS 88 11.901 -4.733 -5.001 707 HE2 LYS 88 HE2 LYS 88 12.716 -5.827 -2.934 708 HE3 LYS 88 HE3 LYS 88 13.761 -6.869 -3.904 709 HZ1 LYS 88 HZ1 LYS 88 14.944 -4.906 -4.668 710 HZ2 LYS 88 HZ2 LYS 88 14.970 -5.001 -2.985 711 HZ3 LYS 88 HZ3 LYS 88 13.935 -3.909 -3.748 712 H GLU 89 H GLU 89 9.165 -4.389 -8.242 713 HA GLU 89 HA GLU 89 11.154 -2.395 -7.916 714 HB2 GLU 89 HB2 GLU 89 10.413 -3.655 -10.025 715 HB3 GLU 89 HB3 GLU 89 9.048 -2.561 -10.117 716 HG2 GLU 89 HG2 GLU 89 11.917 -1.607 -10.132 717 HG3 GLU 89 HG3 GLU 89 11.082 -2.084 -11.602 718 H MET 90 H MET 90 7.673 -2.400 -7.516 719 HA MET 90 HA MET 90 7.172 0.398 -7.596 720 HB2 MET 90 HB2 MET 90 5.614 -1.800 -6.222 721 HB3 MET 90 HB3 MET 90 5.023 -0.167 -6.465 722 HG2 MET 90 HG2 MET 90 5.286 -0.577 -8.961 723 HG3 MET 90 HG3 MET 90 5.549 -2.274 -8.558 724 HE1 MET 90 HE1 MET 90 3.438 -2.176 -5.858 725 HE2 MET 90 HE2 MET 90 3.777 -3.565 -6.892 726 HE3 MET 90 HE3 MET 90 2.118 -3.023 -6.660 727 H ALA 91 H ALA 91 8.172 -1.760 -4.979 728 HA ALA 91 HA ALA 91 7.562 -0.269 -2.713 729 HB1 ALA 91 HB1 ALA 91 8.453 -2.554 -2.603 730 HB2 ALA 91 HB2 ALA 91 9.403 -1.472 -1.585 731 HB3 ALA 91 HB3 ALA 91 10.026 -1.989 -3.156 732 H LYS 92 H LYS 92 10.174 0.160 -5.026 733 HA LYS 92 HA LYS 92 11.811 1.926 -3.528 734 HB2 LYS 92 HB2 LYS 92 11.566 1.526 -6.534 735 HB3 LYS 92 HB3 LYS 92 12.742 2.607 -5.804 736 HG2 LYS 92 HG2 LYS 92 13.922 0.628 -6.313 737 HG3 LYS 92 HG3 LYS 92 13.669 0.579 -4.568 738 HD2 LYS 92 HD2 LYS 92 11.900 -1.065 -4.808 739 HD3 LYS 92 HD3 LYS 92 11.902 -0.877 -6.565 740 HE2 LYS 92 HE2 LYS 92 14.180 -2.020 -4.913 741 HE3 LYS 92 HE3 LYS 92 13.039 -2.951 -5.884 742 HZ1 LYS 92 HZ1 LYS 92 13.883 -1.890 -7.870 743 HZ2 LYS 92 HZ2 LYS 92 15.162 -2.584 -7.012 744 HZ3 LYS 92 HZ3 LYS 92 14.921 -0.916 -6.959 745 H LYS 93 H LYS 93 9.060 2.446 -5.748 746 HA LYS 93 HA LYS 93 9.270 5.244 -6.106 747 HB2 LYS 93 HB2 LYS 93 6.893 3.347 -6.195 748 HB3 LYS 93 HB3 LYS 93 6.689 5.067 -6.492 749 HG2 LYS 93 HG2 LYS 93 8.594 3.351 -8.098 750 HG3 LYS 93 HG3 LYS 93 6.899 3.577 -8.532 751 HD2 LYS 93 HD2 LYS 93 7.229 5.991 -8.754 752 HD3 LYS 93 HD3 LYS 93 8.897 5.842 -8.208 753 HE2 LYS 93 HE2 LYS 93 8.693 6.102 -10.670 754 HE3 LYS 93 HE3 LYS 93 9.494 4.597 -10.216 755 HZ1 LYS 93 HZ1 LYS 93 7.420 3.425 -10.594 756 HZ2 LYS 93 HZ2 LYS 93 7.886 4.263 -11.986 757 HZ3 LYS 93 HZ3 LYS 93 6.644 4.868 -11.008 758 H ALA 94 H ALA 94 7.324 3.392 -3.770 759 HA ALA 94 HA ALA 94 6.094 5.550 -2.461 760 HB1 ALA 94 HB1 ALA 94 5.494 3.913 -0.733 761 HB2 ALA 94 HB2 ALA 94 6.680 2.780 -1.381 762 HB3 ALA 94 HB3 ALA 94 5.273 3.234 -2.346 763 H GLU 95 H GLU 95 9.181 3.996 -1.946 764 HA GLU 95 HA GLU 95 9.850 5.330 0.500 765 HB2 GLU 95 HB2 GLU 95 11.450 3.720 -1.511 766 HB3 GLU 95 HB3 GLU 95 12.173 4.396 -0.055 767 HG2 GLU 95 HG2 GLU 95 9.798 2.514 -0.007 768 HG3 GLU 95 HG3 GLU 95 11.464 1.963 0.061 769 H GLU 96 H GLU 96 10.563 5.930 -2.958 770 HA GLU 96 HA GLU 96 12.430 8.067 -2.534 771 HB2 GLU 96 HB2 GLU 96 10.772 7.311 -4.981 772 HB3 GLU 96 HB3 GLU 96 11.952 8.616 -4.985 773 HG2 GLU 96 HG2 GLU 96 12.562 5.706 -4.444 774 HG3 GLU 96 HG3 GLU 96 12.830 6.539 -5.966 775 H TRP 97 H TRP 97 8.955 7.900 -3.045 776 HA TRP 97 HA TRP 97 8.355 10.638 -3.077 777 HB2 TRP 97 HB2 TRP 97 6.702 8.277 -2.071 778 HB3 TRP 97 HB3 TRP 97 6.069 9.905 -2.274 779 HD1 TRP 97 HD1 TRP 97 7.704 10.273 -5.191 780 HE1 TRP 97 HE1 TRP 97 6.643 9.170 -7.247 781 HE3 TRP 97 HE3 TRP 97 4.614 6.923 -2.858 782 HZ2 TRP 97 HZ2 TRP 97 4.774 7.162 -7.832 783 HZ3 TRP 97 HZ3 TRP 97 3.223 5.442 -4.253 784 HH2 TRP 97 HH2 TRP 97 3.304 5.569 -6.686 785 H LEU 98 H LEU 98 8.663 8.288 -0.419 786 HA LEU 98 HA LEU 98 7.973 9.995 1.715 787 HB2 LEU 98 HB2 LEU 98 8.003 7.485 1.798 788 HB3 LEU 98 HB3 LEU 98 9.756 7.527 1.792 789 HG LEU 98 HG LEU 98 9.738 8.684 4.003 790 HD11 LEU 98 HD11 LEU 98 7.605 9.867 3.818 791 HD12 LEU 98 HD12 LEU 98 7.687 8.913 5.297 792 HD13 LEU 98 HD13 LEU 98 6.728 8.335 3.929 793 HD21 LEU 98 HD21 LEU 98 8.125 6.107 4.014 794 HD22 LEU 98 HD22 LEU 98 9.035 6.780 5.371 795 HD23 LEU 98 HD23 LEU 98 9.884 6.225 3.932 796 H GLN 99 H GLN 99 11.122 9.328 0.188 797 HA GLN 99 HA GLN 99 12.746 10.713 2.088 798 HB2 GLN 99 HB2 GLN 99 13.320 10.055 -0.836 799 HB3 GLN 99 HB3 GLN 99 14.513 10.636 0.317 800 HG2 GLN 99 HG2 GLN 99 13.106 7.959 0.313 801 HG3 GLN 99 HG3 GLN 99 14.821 8.275 0.070 802 HE21 GLN 99 HE21 GLN 99 16.109 8.801 1.900 803 HE22 GLN 99 HE22 GLN 99 15.586 8.448 3.509 804 H ALA 100 H ALA 100 11.160 11.647 -0.934 805 HA ALA 100 HA ALA 100 12.288 14.287 -1.070 806 HB1 ALA 100 HB1 ALA 100 10.691 14.633 -2.921 807 HB2 ALA 100 HB2 ALA 100 9.900 13.104 -2.525 808 HB3 ALA 100 HB3 ALA 100 11.570 13.114 -3.089 809 H GLU 101 H GLU 101 9.429 12.869 0.390 810 HA GLU 101 HA GLU 101 8.049 15.300 1.013 811 HB2 GLU 101 HB2 GLU 101 7.848 12.466 2.129 812 HB3 GLU 101 HB3 GLU 101 6.857 13.785 2.734 813 HG2 GLU 101 HG2 GLU 101 6.858 12.754 -0.105 814 HG3 GLU 101 HG3 GLU 101 5.644 12.403 1.119 815 H GLN 102 H GLN 102 10.366 13.245 2.774 816 HA GLN 102 HA GLN 102 10.218 14.936 5.168 817 HB2 GLN 102 HB2 GLN 102 11.752 12.356 4.609 818 HB3 GLN 102 HB3 GLN 102 11.730 13.193 6.159 819 HG2 GLN 102 HG2 GLN 102 9.300 12.799 6.355 820 HG3 GLN 102 HG3 GLN 102 9.296 11.996 4.786 821 HE21 GLN 102 HE21 GLN 102 8.488 10.918 7.380 822 HE22 GLN 102 HE22 GLN 102 9.480 9.531 7.658 823 H ASN 103 H ASN 103 11.115 16.829 4.388 824 HA ASN 103 HA ASN 103 13.887 16.946 3.410 825 HB2 ASN 103 HB2 ASN 103 11.783 19.137 3.766 826 HB3 ASN 103 HB3 ASN 103 13.367 19.363 3.034 827 HD21 ASN 103 HD21 ASN 103 10.283 17.742 2.671 828 HD22 ASN 103 HD22 ASN 103 10.368 17.558 0.955 829 H ASN 104 H ASN 104 15.260 18.777 4.330 830 HA ASN 104 HA ASN 104 15.046 18.952 7.286 831 HB2 ASN 104 HB2 ASN 104 17.026 17.641 6.297 832 HB3 ASN 104 HB3 ASN 104 17.603 19.150 5.621 833 HD21 ASN 104 HD21 ASN 104 16.913 20.747 8.080 834 HD22 ASN 104 HD22 ASN 104 18.078 20.270 9.249 Start of MODEL 17 1 H1 ALA 1 H1 ALA 1 -12.298 -17.300 0.349 2 H2 ALA 1 H2 ALA 1 -12.880 -16.642 -1.090 3 H3 ALA 1 H3 ALA 1 -13.629 -18.007 -0.426 4 HA ALA 1 HA ALA 1 -14.934 -16.022 -0.046 5 HB1 ALA 1 HB1 ALA 1 -15.212 -16.284 2.409 6 HB2 ALA 1 HB2 ALA 1 -13.689 -17.175 2.483 7 HB3 ALA 1 HB3 ALA 1 -15.061 -17.845 1.601 8 H ASP 2 H ASP 2 -14.782 -13.842 -0.038 9 HA ASP 2 HA ASP 2 -12.929 -12.331 1.561 10 HB2 ASP 2 HB2 ASP 2 -11.721 -11.262 -0.373 11 HB3 ASP 2 HB3 ASP 2 -11.326 -12.960 -0.164 12 H GLU 3 H GLU 3 -15.704 -12.399 1.372 13 HA GLU 3 HA GLU 3 -16.850 -10.318 -0.207 14 HB2 GLU 3 HB2 GLU 3 -18.205 -12.173 0.770 15 HB3 GLU 3 HB3 GLU 3 -17.867 -11.565 2.388 16 HG2 GLU 3 HG2 GLU 3 -19.043 -9.419 1.748 17 HG3 GLU 3 HG3 GLU 3 -19.505 -10.187 0.228 18 H ASN 4 H ASN 4 -15.243 -10.394 2.922 19 HA ASN 4 HA ASN 4 -16.054 -7.898 3.991 20 HB2 ASN 4 HB2 ASN 4 -14.957 -9.706 5.323 21 HB3 ASN 4 HB3 ASN 4 -13.441 -9.410 4.476 22 HD21 ASN 4 HD21 ASN 4 -12.344 -8.878 6.380 23 HD22 ASN 4 HD22 ASN 4 -12.638 -7.407 7.234 24 H ILE 5 H ILE 5 -13.582 -8.800 1.710 25 HA ILE 5 HA ILE 5 -12.207 -6.306 1.490 26 HB ILE 5 HB ILE 5 -12.436 -8.706 -0.376 27 HG12 ILE 5 HG12 ILE 5 -10.186 -7.761 1.462 28 HG13 ILE 5 HG13 ILE 5 -11.276 -9.110 1.775 29 HG21 ILE 5 HG21 ILE 5 -10.627 -6.294 -0.731 30 HG22 ILE 5 HG22 ILE 5 -11.980 -6.736 -1.769 31 HG23 ILE 5 HG23 ILE 5 -10.555 -7.773 -1.692 32 HD11 ILE 5 HD11 ILE 5 -9.131 -9.880 1.045 33 HD12 ILE 5 HD12 ILE 5 -9.253 -8.945 -0.440 34 HD13 ILE 5 HD13 ILE 5 -10.357 -10.289 -0.151 35 H ALA 6 H ALA 6 -14.695 -7.926 -0.520 36 HA ALA 6 HA ALA 6 -15.260 -5.876 -2.333 37 HB1 ALA 6 HB1 ALA 6 -17.376 -7.076 -2.750 38 HB2 ALA 6 HB2 ALA 6 -17.144 -8.011 -1.270 39 HB3 ALA 6 HB3 ALA 6 -16.022 -8.201 -2.619 40 H LYS 7 H LYS 7 -16.203 -6.270 0.968 41 HA LYS 7 HA LYS 7 -18.354 -4.416 1.153 42 HB2 LYS 7 HB2 LYS 7 -17.755 -6.345 2.761 43 HB3 LYS 7 HB3 LYS 7 -16.467 -5.319 3.376 44 HG2 LYS 7 HG2 LYS 7 -18.299 -5.135 4.885 45 HG3 LYS 7 HG3 LYS 7 -18.216 -3.617 3.986 46 HD2 LYS 7 HD2 LYS 7 -20.100 -4.265 2.584 47 HD3 LYS 7 HD3 LYS 7 -20.108 -5.898 3.261 48 HE2 LYS 7 HE2 LYS 7 -20.744 -3.342 4.782 49 HE3 LYS 7 HE3 LYS 7 -21.917 -4.533 4.218 50 HZ1 LYS 7 HZ1 LYS 7 -19.769 -5.018 6.210 51 HZ2 LYS 7 HZ2 LYS 7 -20.869 -6.177 5.658 52 HZ3 LYS 7 HZ3 LYS 7 -21.419 -4.847 6.545 53 H PHE 8 H PHE 8 -14.837 -4.237 1.844 54 HA PHE 8 HA PHE 8 -14.831 -1.462 2.606 55 HB2 PHE 8 HB2 PHE 8 -12.499 -3.231 1.752 56 HB3 PHE 8 HB3 PHE 8 -12.349 -1.640 2.485 57 HD1 PHE 8 HD1 PHE 8 -14.380 -1.863 4.710 58 HD2 PHE 8 HD2 PHE 8 -11.403 -4.632 3.330 59 HE1 PHE 8 HE1 PHE 8 -14.249 -2.860 6.953 60 HE2 PHE 8 HE2 PHE 8 -11.296 -5.624 5.580 61 HZ PHE 8 HZ PHE 8 -12.715 -4.737 7.387 62 H GLU 9 H GLU 9 -14.551 -3.172 -0.433 63 HA GLU 9 HA GLU 9 -13.471 -1.199 -2.126 64 HB2 GLU 9 HB2 GLU 9 -15.461 -3.442 -2.640 65 HB3 GLU 9 HB3 GLU 9 -14.849 -2.426 -3.937 66 HG2 GLU 9 HG2 GLU 9 -12.979 -3.991 -2.139 67 HG3 GLU 9 HG3 GLU 9 -13.734 -4.725 -3.550 68 H LYS 10 H LYS 10 -16.766 -1.757 -0.960 69 HA LYS 10 HA LYS 10 -18.147 0.192 -2.488 70 HB2 LYS 10 HB2 LYS 10 -18.806 -0.884 0.287 71 HB3 LYS 10 HB3 LYS 10 -19.928 -0.029 -0.763 72 HG2 LYS 10 HG2 LYS 10 -18.647 -2.694 -1.447 73 HG3 LYS 10 HG3 LYS 10 -20.231 -2.526 -0.693 74 HD2 LYS 10 HD2 LYS 10 -19.470 -1.419 -3.429 75 HD3 LYS 10 HD3 LYS 10 -20.361 -2.915 -3.144 76 HE2 LYS 10 HE2 LYS 10 -21.297 -0.124 -2.394 77 HE3 LYS 10 HE3 LYS 10 -21.888 -1.094 -3.742 78 HZ1 LYS 10 HZ1 LYS 10 -23.364 -1.174 -1.826 79 HZ2 LYS 10 HZ2 LYS 10 -22.140 -1.841 -0.876 80 HZ3 LYS 10 HZ3 LYS 10 -22.755 -2.705 -2.193 81 H ALA 11 H ALA 11 -16.128 0.424 0.329 82 HA ALA 11 HA ALA 11 -17.047 3.028 1.229 83 HB1 ALA 11 HB1 ALA 11 -16.250 1.341 2.845 84 HB2 ALA 11 HB2 ALA 11 -15.270 2.803 2.916 85 HB3 ALA 11 HB3 ALA 11 -14.647 1.362 2.104 86 H TYR 12 H TYR 12 -14.982 1.950 -1.253 87 HA TYR 12 HA TYR 12 -13.412 4.478 -1.251 88 HB2 TYR 12 HB2 TYR 12 -12.217 2.109 -1.086 89 HB3 TYR 12 HB3 TYR 12 -12.582 1.973 -2.803 90 HD1 TYR 12 HD1 TYR 12 -11.825 4.245 -4.209 91 HD2 TYR 12 HD2 TYR 12 -10.121 2.947 -0.540 92 HE1 TYR 12 HE1 TYR 12 -9.798 5.539 -4.686 93 HE2 TYR 12 HE2 TYR 12 -8.120 4.232 -1.009 94 HH TYR 12 HH TYR 12 -7.902 6.492 -3.553 95 H LYS 13 H LYS 13 -13.478 5.751 -3.092 96 HA LYS 13 HA LYS 13 -14.946 4.854 -5.493 97 HB2 LYS 13 HB2 LYS 13 -15.659 7.278 -3.783 98 HB3 LYS 13 HB3 LYS 13 -16.219 7.086 -5.440 99 HG2 LYS 13 HG2 LYS 13 -17.482 5.080 -4.827 100 HG3 LYS 13 HG3 LYS 13 -16.854 5.153 -3.179 101 HD2 LYS 13 HD2 LYS 13 -18.626 7.268 -4.480 102 HD3 LYS 13 HD3 LYS 13 -19.174 6.036 -3.340 103 HE2 LYS 13 HE2 LYS 13 -17.688 6.998 -1.601 104 HE3 LYS 13 HE3 LYS 13 -17.163 8.240 -2.741 105 HZ1 LYS 13 HZ1 LYS 13 -19.402 9.076 -2.841 106 HZ2 LYS 13 HZ2 LYS 13 -18.889 9.032 -1.235 107 HZ3 LYS 13 HZ3 LYS 13 -19.963 7.858 -1.811 108 H LYS 14 H LYS 14 -12.319 4.991 -5.631 109 HA LYS 14 HA LYS 14 -10.471 5.854 -6.594 110 HB2 LYS 14 HB2 LYS 14 -12.612 6.910 -8.459 111 HB3 LYS 14 HB3 LYS 14 -10.897 6.920 -8.863 112 HG2 LYS 14 HG2 LYS 14 -10.819 4.464 -8.699 113 HG3 LYS 14 HG3 LYS 14 -12.519 4.415 -8.232 114 HD2 LYS 14 HD2 LYS 14 -11.430 5.370 -10.914 115 HD3 LYS 14 HD3 LYS 14 -12.202 3.813 -10.608 116 HE2 LYS 14 HE2 LYS 14 -13.504 6.552 -10.446 117 HE3 LYS 14 HE3 LYS 14 -13.813 5.298 -11.644 118 HZ1 LYS 14 HZ1 LYS 14 -14.427 5.098 -8.742 119 HZ2 LYS 14 HZ2 LYS 14 -14.737 3.908 -9.898 120 HZ3 LYS 14 HZ3 LYS 14 -15.550 5.388 -9.973 121 H ALA 15 H ALA 15 -9.265 7.269 -5.489 122 HA ALA 15 HA ALA 15 -10.404 9.700 -4.438 123 HB1 ALA 15 HB1 ALA 15 -7.676 8.488 -3.937 124 HB2 ALA 15 HB2 ALA 15 -9.139 8.117 -3.027 125 HB3 ALA 15 HB3 ALA 15 -8.462 9.743 -2.976 126 H GLU 16 H GLU 16 -10.516 10.781 -6.563 127 HA GLU 16 HA GLU 16 -8.692 12.883 -6.728 128 HB2 GLU 16 HB2 GLU 16 -7.194 11.157 -7.749 129 HB3 GLU 16 HB3 GLU 16 -8.356 10.892 -9.038 130 HG2 GLU 16 HG2 GLU 16 -7.868 12.956 -10.071 131 HG3 GLU 16 HG3 GLU 16 -7.215 13.656 -8.590 132 H GLU 17 H GLU 17 -11.402 11.087 -7.918 133 HA GLU 17 HA GLU 17 -12.313 12.686 -10.066 134 HB2 GLU 17 HB2 GLU 17 -13.968 11.066 -8.082 135 HB3 GLU 17 HB3 GLU 17 -14.540 11.655 -9.641 136 HG2 GLU 17 HG2 GLU 17 -12.875 10.210 -10.783 137 HG3 GLU 17 HG3 GLU 17 -12.329 9.612 -9.215 138 H LEU 18 H LEU 18 -13.208 12.730 -6.620 139 HA LEU 18 HA LEU 18 -14.676 15.249 -6.879 140 HB2 LEU 18 HB2 LEU 18 -14.199 13.481 -4.439 141 HB3 LEU 18 HB3 LEU 18 -15.278 14.868 -4.498 142 HG LEU 18 HG LEU 18 -15.630 12.257 -6.036 143 HD11 LEU 18 HD11 LEU 18 -17.602 11.900 -4.652 144 HD12 LEU 18 HD12 LEU 18 -17.289 13.394 -3.766 145 HD13 LEU 18 HD13 LEU 18 -16.157 12.043 -3.654 146 HD21 LEU 18 HD21 LEU 18 -16.425 14.094 -7.423 147 HD22 LEU 18 HD22 LEU 18 -17.392 14.736 -6.091 148 HD23 LEU 18 HD23 LEU 18 -17.791 13.171 -6.806 149 H ASN 19 H ASN 19 -11.547 14.696 -6.876 150 HA ASN 19 HA ASN 19 -9.635 15.741 -6.342 151 HB2 ASN 19 HB2 ASN 19 -11.431 18.149 -5.788 152 HB3 ASN 19 HB3 ASN 19 -9.698 18.221 -6.084 153 HD21 ASN 19 HD21 ASN 19 -11.775 19.577 -7.522 154 HD22 ASN 19 HD22 ASN 19 -11.692 19.050 -9.166 155 H GLN 20 H GLN 20 -10.957 14.262 -4.302 156 HA GLN 20 HA GLN 20 -9.830 15.404 -1.832 157 HB2 GLN 20 HB2 GLN 20 -12.624 14.193 -2.120 158 HB3 GLN 20 HB3 GLN 20 -11.845 14.514 -0.573 159 HG2 GLN 20 HG2 GLN 20 -11.818 16.917 -1.065 160 HG3 GLN 20 HG3 GLN 20 -12.549 16.621 -2.639 161 HE21 GLN 20 HE21 GLN 20 -14.754 16.006 -2.734 162 HE22 GLN 20 HE22 GLN 20 -15.812 16.223 -1.386 163 H GLY 21 H GLY 21 -8.082 13.958 -2.182 164 HA2 GLY 21 HA2 GLY 21 -8.512 11.072 -2.121 165 HA3 GLY 21 HA3 GLY 21 -6.972 11.920 -2.114 166 H GLU 22 H GLU 22 -8.104 13.638 0.144 167 HA GLU 22 HA GLU 22 -7.012 12.474 2.409 168 HB2 GLU 22 HB2 GLU 22 -9.308 14.481 2.258 169 HB3 GLU 22 HB3 GLU 22 -8.324 14.174 3.691 170 HG2 GLU 22 HG2 GLU 22 -6.347 15.072 2.600 171 HG3 GLU 22 HG3 GLU 22 -7.212 15.227 1.069 172 H LEU 23 H LEU 23 -10.286 12.206 1.127 173 HA LEU 23 HA LEU 23 -11.475 10.947 3.420 174 HB2 LEU 23 HB2 LEU 23 -12.467 11.076 0.549 175 HB3 LEU 23 HB3 LEU 23 -13.434 10.645 1.953 176 HG LEU 23 HG LEU 23 -12.228 13.383 1.383 177 HD11 LEU 23 HD11 LEU 23 -14.117 12.885 -0.064 178 HD12 LEU 23 HD12 LEU 23 -14.542 14.130 1.104 179 HD13 LEU 23 HD13 LEU 23 -15.118 12.476 1.332 180 HD21 LEU 23 HD21 LEU 23 -12.253 12.974 3.801 181 HD22 LEU 23 HD22 LEU 23 -13.965 12.544 3.735 182 HD23 LEU 23 HD23 LEU 23 -13.447 14.189 3.357 183 H MET 24 H MET 24 -9.533 9.807 0.869 184 HA MET 24 HA MET 24 -10.218 6.970 1.384 185 HB2 MET 24 HB2 MET 24 -10.059 8.409 -1.293 186 HB3 MET 24 HB3 MET 24 -9.807 6.679 -1.175 187 HG2 MET 24 HG2 MET 24 -12.028 6.250 -0.597 188 HG3 MET 24 HG3 MET 24 -12.312 7.896 -0.035 189 HE1 MET 24 HE1 MET 24 -12.739 9.956 -1.536 190 HE2 MET 24 HE2 MET 24 -12.670 9.928 -3.301 191 HE3 MET 24 HE3 MET 24 -11.192 9.721 -2.362 192 H GLY 25 H GLY 25 -8.199 6.224 -0.720 193 HA2 GLY 25 HA2 GLY 25 -5.966 5.703 -0.828 194 HA3 GLY 25 HA3 GLY 25 -5.630 6.917 0.398 195 H ARG 26 H ARG 26 -6.852 6.260 2.553 196 HA ARG 26 HA ARG 26 -5.372 4.203 3.725 197 HB2 ARG 26 HB2 ARG 26 -6.369 6.278 4.848 198 HB3 ARG 26 HB3 ARG 26 -7.917 5.442 4.857 199 HG2 ARG 26 HG2 ARG 26 -6.893 3.637 6.266 200 HG3 ARG 26 HG3 ARG 26 -5.389 4.563 6.298 201 HD2 ARG 26 HD2 ARG 26 -6.793 6.496 7.285 202 HD3 ARG 26 HD3 ARG 26 -8.061 5.296 7.528 203 HE ARG 26 HE ARG 26 -6.686 4.177 9.105 204 HH11 ARG 26 HH11 ARG 26 -5.319 7.249 8.049 205 HH12 ARG 26 HH12 ARG 26 -4.256 7.374 9.412 206 HH21 ARG 26 HH21 ARG 26 -5.283 4.374 10.874 207 HH22 ARG 26 HH22 ARG 26 -4.240 5.755 11.007 208 H ALA 27 H ALA 27 -8.629 4.216 2.353 209 HA ALA 27 HA ALA 27 -9.537 1.790 3.494 210 HB1 ALA 27 HB1 ALA 27 -11.308 1.838 1.777 211 HB2 ALA 27 HB2 ALA 27 -10.462 3.145 0.950 212 HB3 ALA 27 HB3 ALA 27 -11.114 3.409 2.564 213 H LEU 28 H LEU 28 -7.997 2.458 0.256 214 HA LEU 28 HA LEU 28 -7.841 -0.229 -0.603 215 HB2 LEU 28 HB2 LEU 28 -6.082 2.146 -1.262 216 HB3 LEU 28 HB3 LEU 28 -5.699 0.557 -1.895 217 HG LEU 28 HG LEU 28 -8.107 2.261 -2.531 218 HD11 LEU 28 HD11 LEU 28 -6.097 2.868 -3.738 219 HD12 LEU 28 HD12 LEU 28 -7.300 2.182 -4.824 220 HD13 LEU 28 HD13 LEU 28 -5.914 1.210 -4.319 221 HD21 LEU 28 HD21 LEU 28 -7.699 -0.578 -3.468 222 HD22 LEU 28 HD22 LEU 28 -8.987 0.521 -3.962 223 HD23 LEU 28 HD23 LEU 28 -8.906 -0.044 -2.299 224 H TYR 29 H TYR 29 -5.814 1.604 1.609 225 HA TYR 29 HA TYR 29 -3.649 -0.178 1.872 226 HB2 TYR 29 HB2 TYR 29 -3.537 2.131 2.730 227 HB3 TYR 29 HB3 TYR 29 -4.811 1.794 3.893 228 HD1 TYR 29 HD2 TYR 29 -1.398 0.572 2.922 229 HD2 TYR 29 HD1 TYR 29 -4.160 1.217 6.124 230 HE1 TYR 29 HE2 TYR 29 0.302 -0.125 4.528 231 HE2 TYR 29 HE1 TYR 29 -2.436 0.507 7.731 232 HH TYR 29 HH TYR 29 0.861 0.025 6.799 233 H ASN 30 H ASN 30 -6.710 0.084 3.746 234 HA ASN 30 HA ASN 30 -6.236 -2.099 5.504 235 HB2 ASN 30 HB2 ASN 30 -8.802 -0.681 4.683 236 HB3 ASN 30 HB3 ASN 30 -8.809 -2.039 5.808 237 HD21 ASN 30 HD21 ASN 30 -8.082 1.323 5.416 238 HD22 ASN 30 HD22 ASN 30 -7.673 1.626 7.064 239 H ILE 31 H ILE 31 -7.780 -1.870 2.345 240 HA ILE 31 HA ILE 31 -8.788 -4.511 2.123 241 HB ILE 31 HB ILE 31 -7.926 -2.545 -0.058 242 HG12 ILE 31 HG12 ILE 31 -10.737 -3.181 0.940 243 HG13 ILE 31 HG13 ILE 31 -9.791 -1.807 1.491 244 HG21 ILE 31 HG21 ILE 31 -9.318 -3.878 -1.624 245 HG22 ILE 31 HG22 ILE 31 -9.575 -5.079 -0.357 246 HG23 ILE 31 HG23 ILE 31 -7.953 -4.805 -0.998 247 HD11 ILE 31 HD11 ILE 31 -11.392 -1.111 -0.151 248 HD12 ILE 31 HD12 ILE 31 -10.772 -2.278 -1.317 249 HD13 ILE 31 HD13 ILE 31 -9.763 -0.924 -0.799 250 H GLY 32 H GLY 32 -5.707 -3.000 1.225 251 HA2 GLY 32 HA2 GLY 32 -4.432 -5.169 -0.036 252 HA3 GLY 32 HA3 GLY 32 -3.643 -3.788 0.713 253 H LEU 33 H LEU 33 -4.564 -4.107 3.356 254 HA LEU 33 HA LEU 33 -2.725 -5.874 4.498 255 HB2 LEU 33 HB2 LEU 33 -5.237 -4.626 5.684 256 HB3 LEU 33 HB3 LEU 33 -4.106 -5.570 6.643 257 HG LEU 33 HG LEU 33 -3.356 -3.019 5.156 258 HD11 LEU 33 HD11 LEU 33 -3.355 -1.892 7.313 259 HD12 LEU 33 HD12 LEU 33 -3.942 -3.355 8.106 260 HD13 LEU 33 HD13 LEU 33 -4.959 -2.514 6.932 261 HD21 LEU 33 HD21 LEU 33 -1.303 -3.087 6.513 262 HD22 LEU 33 HD22 LEU 33 -1.444 -4.509 5.488 263 HD23 LEU 33 HD23 LEU 33 -1.804 -4.633 7.212 264 H GLU 34 H GLU 34 -6.194 -6.294 3.818 265 HA GLU 34 HA GLU 34 -6.621 -8.823 4.935 266 HB2 GLU 34 HB2 GLU 34 -7.915 -7.626 2.445 267 HB3 GLU 34 HB3 GLU 34 -8.541 -9.002 3.346 268 HG2 GLU 34 HG2 GLU 34 -8.256 -6.174 4.414 269 HG3 GLU 34 HG3 GLU 34 -9.755 -6.917 3.856 270 H LYS 35 H LYS 35 -5.589 -7.965 1.611 271 HA LYS 35 HA LYS 35 -5.369 -10.572 0.549 272 HB2 LYS 35 HB2 LYS 35 -4.036 -7.941 -0.191 273 HB3 LYS 35 HB3 LYS 35 -3.554 -9.419 -0.999 274 HG2 LYS 35 HG2 LYS 35 -5.109 -8.242 -2.387 275 HG3 LYS 35 HG3 LYS 35 -5.873 -9.726 -1.809 276 HD2 LYS 35 HD2 LYS 35 -7.182 -8.487 -0.192 277 HD3 LYS 35 HD3 LYS 35 -6.317 -6.992 -0.563 278 HE2 LYS 35 HE2 LYS 35 -8.556 -7.075 -1.614 279 HE3 LYS 35 HE3 LYS 35 -7.269 -6.956 -2.803 280 HZ1 LYS 35 HZ1 LYS 35 -8.908 -8.546 -3.492 281 HZ2 LYS 35 HZ2 LYS 35 -8.722 -9.429 -2.065 282 HZ3 LYS 35 HZ3 LYS 35 -7.453 -9.335 -3.176 283 H ASN 36 H ASN 36 -2.966 -8.486 2.128 284 HA ASN 36 HA ASN 36 -0.660 -10.031 1.706 285 HB2 ASN 36 HB2 ASN 36 -0.699 -7.608 2.378 286 HB3 ASN 36 HB3 ASN 36 -1.226 -8.080 3.989 287 HD21 ASN 36 HD21 ASN 36 0.594 -7.122 4.935 288 HD22 ASN 36 HD22 ASN 36 2.179 -7.802 4.813 289 H LYS 37 H LYS 37 -2.954 -9.956 4.405 290 HA LYS 37 HA LYS 37 -1.579 -11.760 6.132 291 HB2 LYS 37 HB2 LYS 37 -4.473 -10.807 6.052 292 HB3 LYS 37 HB3 LYS 37 -3.799 -11.768 7.364 293 HG2 LYS 37 HG2 LYS 37 -2.724 -9.047 6.544 294 HG3 LYS 37 HG3 LYS 37 -3.923 -9.283 7.817 295 HD2 LYS 37 HD2 LYS 37 -1.127 -10.500 7.824 296 HD3 LYS 37 HD3 LYS 37 -1.587 -9.016 8.667 297 HE2 LYS 37 HE2 LYS 37 -2.705 -11.792 9.201 298 HE3 LYS 37 HE3 LYS 37 -1.586 -10.891 10.227 299 HZ1 LYS 37 HZ1 LYS 37 -4.381 -10.100 9.597 300 HZ2 LYS 37 HZ2 LYS 37 -3.300 -9.209 10.551 301 HZ3 LYS 37 HZ3 LYS 37 -3.820 -10.736 11.062 302 H MET 38 H MET 38 -3.846 -12.213 3.492 303 HA MET 38 HA MET 38 -4.337 -15.034 4.128 304 HB2 MET 38 HB2 MET 38 -5.357 -13.289 1.845 305 HB3 MET 38 HB3 MET 38 -5.795 -14.978 2.080 306 HG2 MET 38 HG2 MET 38 -6.748 -14.370 4.302 307 HG3 MET 38 HG3 MET 38 -6.424 -12.679 3.947 308 HE1 MET 38 HE1 MET 38 -7.762 -11.264 2.129 309 HE2 MET 38 HE2 MET 38 -8.828 -12.011 0.940 310 HE3 MET 38 HE3 MET 38 -7.102 -12.365 0.918 311 H GLY 39 H GLY 39 -1.968 -13.278 2.467 312 HA2 GLY 39 HA2 GLY 39 -0.052 -14.229 1.511 313 HA3 GLY 39 HA3 GLY 39 -0.921 -15.716 1.174 314 H LYS 40 H LYS 40 -2.827 -13.165 0.247 315 HA LYS 40 HA LYS 40 -2.263 -13.410 -2.604 316 HB2 LYS 40 HB2 LYS 40 -4.317 -11.678 -1.152 317 HB3 LYS 40 HB3 LYS 40 -4.311 -12.083 -2.865 318 HG2 LYS 40 HG2 LYS 40 -4.743 -14.448 -2.313 319 HG3 LYS 40 HG3 LYS 40 -4.724 -14.047 -0.590 320 HD2 LYS 40 HD2 LYS 40 -6.688 -12.547 -0.936 321 HD3 LYS 40 HD3 LYS 40 -6.714 -12.991 -2.645 322 HE2 LYS 40 HE2 LYS 40 -7.157 -14.882 -0.306 323 HE3 LYS 40 HE3 LYS 40 -8.405 -14.258 -1.387 324 HZ1 LYS 40 HZ1 LYS 40 -7.808 -16.450 -2.061 325 HZ2 LYS 40 HZ2 LYS 40 -6.163 -16.068 -2.107 326 HZ3 LYS 40 HZ3 LYS 40 -7.225 -15.379 -3.233 327 H ALA 41 H ALA 41 -0.075 -12.318 -1.312 328 HA ALA 41 HA ALA 41 -0.267 -9.561 -0.657 329 HB1 ALA 41 HB1 ALA 41 1.202 -11.119 0.545 330 HB2 ALA 41 HB2 ALA 41 2.099 -9.741 -0.089 331 HB3 ALA 41 HB3 ALA 41 2.198 -11.309 -0.899 332 H ARG 42 H ARG 42 0.407 -11.170 -3.656 333 HA ARG 42 HA ARG 42 1.918 -9.162 -4.972 334 HB2 ARG 42 HB2 ARG 42 1.737 -11.366 -5.996 335 HB3 ARG 42 HB3 ARG 42 -0.017 -11.252 -6.048 336 HG2 ARG 42 HG2 ARG 42 0.781 -10.915 -8.277 337 HG3 ARG 42 HG3 ARG 42 0.206 -9.357 -7.688 338 HD2 ARG 42 HD2 ARG 42 2.679 -8.854 -7.114 339 HD3 ARG 42 HD3 ARG 42 3.074 -10.269 -8.094 340 HE ARG 42 HE ARG 42 2.522 -7.692 -9.039 341 HH11 ARG 42 HH11 ARG 42 1.647 -11.008 -9.945 342 HH12 ARG 42 HH12 ARG 42 1.377 -10.591 -11.602 343 HH21 ARG 42 HH21 ARG 42 2.083 -7.203 -11.184 344 HH22 ARG 42 HH22 ARG 42 1.626 -8.454 -12.296 345 H GLU 43 H GLU 43 -1.600 -9.729 -4.724 346 HA GLU 43 HA GLU 43 -2.368 -7.370 -6.129 347 HB2 GLU 43 HB2 GLU 43 -4.011 -8.978 -4.127 348 HB3 GLU 43 HB3 GLU 43 -4.638 -7.752 -5.221 349 HG2 GLU 43 HG2 GLU 43 -5.200 -9.688 -6.360 350 HG3 GLU 43 HG3 GLU 43 -3.657 -9.293 -7.110 351 H ALA 44 H ALA 44 -1.837 -8.191 -2.728 352 HA ALA 44 HA ALA 44 -2.760 -5.931 -1.398 353 HB1 ALA 44 HB1 ALA 44 -0.270 -7.525 -0.688 354 HB2 ALA 44 HB2 ALA 44 -1.919 -7.966 -0.249 355 HB3 ALA 44 HB3 ALA 44 -1.201 -6.492 0.400 356 H ALA 45 H ALA 45 0.383 -6.525 -2.926 357 HA ALA 45 HA ALA 45 1.759 -4.210 -2.187 358 HB1 ALA 45 HB1 ALA 45 3.240 -4.714 -4.095 359 HB2 ALA 45 HB2 ALA 45 2.053 -5.860 -4.725 360 HB3 ALA 45 HB3 ALA 45 2.855 -6.178 -3.186 361 H GLU 46 H GLU 46 -0.414 -4.854 -4.941 362 HA GLU 46 HA GLU 46 -0.148 -2.408 -6.336 363 HB2 GLU 46 HB2 GLU 46 -2.589 -4.239 -6.199 364 HB3 GLU 46 HB3 GLU 46 -2.321 -2.981 -7.402 365 HG2 GLU 46 HG2 GLU 46 -0.357 -4.211 -8.256 366 HG3 GLU 46 HG3 GLU 46 -0.633 -5.474 -7.049 367 H TYR 47 H TYR 47 -2.365 -3.461 -3.775 368 HA TYR 47 HA TYR 47 -4.025 -1.154 -3.725 369 HB2 TYR 47 HB2 TYR 47 -3.567 -3.419 -1.749 370 HB3 TYR 47 HB3 TYR 47 -4.663 -2.093 -1.382 371 HD1 TYR 47 HD1 TYR 47 -6.663 -1.720 -2.787 372 HD2 TYR 47 HD2 TYR 47 -4.270 -5.186 -3.269 373 HE1 TYR 47 HE1 TYR 47 -8.488 -2.796 -4.002 374 HE2 TYR 47 HE2 TYR 47 -6.078 -6.279 -4.499 375 HH TYR 47 HH TYR 47 -8.938 -4.562 -5.466 376 H PHE 48 H PHE 48 -1.200 -2.109 -1.789 377 HA PHE 48 HA PHE 48 -1.149 0.144 -0.046 378 HB2 PHE 48 HB2 PHE 48 1.114 -1.718 -0.897 379 HB3 PHE 48 HB3 PHE 48 1.219 -0.556 0.421 380 HD1 PHE 48 HD1 PHE 48 -1.360 -0.938 1.800 381 HD2 PHE 48 HD2 PHE 48 1.314 -3.830 0.143 382 HE1 PHE 48 HE1 PHE 48 -2.137 -2.596 3.417 383 HE2 PHE 48 HE2 PHE 48 0.514 -5.492 1.763 384 HZ PHE 48 HZ PHE 48 -1.205 -4.878 3.401 385 H PHE 49 H PHE 49 0.115 -0.519 -3.239 386 HA PHE 49 HA PHE 49 1.949 1.628 -3.491 387 HB2 PHE 49 HB2 PHE 49 1.983 -0.411 -4.922 388 HB3 PHE 49 HB3 PHE 49 0.451 0.063 -5.647 389 HD1 PHE 49 HD2 PHE 49 3.721 1.758 -4.941 390 HD2 PHE 49 HD1 PHE 49 0.738 0.841 -7.873 391 HE1 PHE 49 HE2 PHE 49 4.994 2.956 -6.633 392 HE2 PHE 49 HE1 PHE 49 2.049 2.056 -9.568 393 HZ PHE 49 HZ PHE 49 4.197 3.115 -8.939 394 H ARG 50 H ARG 50 -1.386 1.179 -4.668 395 HA ARG 50 HA ARG 50 -1.684 3.768 -5.816 396 HB2 ARG 50 HB2 ARG 50 -3.824 1.783 -4.927 397 HB3 ARG 50 HB3 ARG 50 -4.097 3.169 -5.987 398 HG2 ARG 50 HG2 ARG 50 -2.762 2.205 -7.741 399 HG3 ARG 50 HG3 ARG 50 -2.167 0.929 -6.675 400 HD2 ARG 50 HD2 ARG 50 -4.554 0.098 -6.492 401 HD3 ARG 50 HD3 ARG 50 -4.985 1.257 -7.757 402 HE ARG 50 HE ARG 50 -3.100 0.011 -9.042 403 HH11 ARG 50 HH11 ARG 50 -5.442 -1.513 -6.907 404 HH12 ARG 50 HH12 ARG 50 -5.384 -3.029 -7.739 405 HH21 ARG 50 HH21 ARG 50 -3.004 -1.990 -10.093 406 HH22 ARG 50 HH22 ARG 50 -3.996 -3.305 -9.552 407 H ALA 51 H ALA 51 -2.461 2.365 -2.665 408 HA ALA 51 HA ALA 51 -3.776 4.526 -1.441 409 HB1 ALA 51 HB1 ALA 51 -3.049 3.527 0.705 410 HB2 ALA 51 HB2 ALA 51 -1.926 2.475 -0.160 411 HB3 ALA 51 HB3 ALA 51 -3.663 2.293 -0.399 412 H ALA 52 H ALA 52 -0.320 3.706 -1.733 413 HA ALA 52 HA ALA 52 0.753 5.835 -0.218 414 HB1 ALA 52 HB1 ALA 52 2.906 5.222 -1.255 415 HB2 ALA 52 HB2 ALA 52 2.064 4.217 -2.439 416 HB3 ALA 52 HB3 ALA 52 2.024 3.786 -0.728 417 H ILE 53 H ILE 53 -0.064 5.539 -3.666 418 HA ILE 53 HA ILE 53 1.045 7.951 -4.635 419 HB ILE 53 HB ILE 53 -1.405 6.407 -5.641 420 HG12 ILE 53 HG12 ILE 53 1.479 6.370 -6.639 421 HG13 ILE 53 HG13 ILE 53 0.745 5.121 -5.651 422 HG21 ILE 53 HG21 ILE 53 -1.482 8.719 -6.491 423 HG22 ILE 53 HG22 ILE 53 -1.120 7.594 -7.799 424 HG23 ILE 53 HG23 ILE 53 0.169 8.570 -7.092 425 HD11 ILE 53 HD11 ILE 53 0.856 4.421 -7.940 426 HD12 ILE 53 HD12 ILE 53 -0.029 5.852 -8.468 427 HD13 ILE 53 HD13 ILE 53 -0.830 4.632 -7.471 428 H VAL 54 H VAL 54 -2.125 7.192 -3.215 429 HA VAL 54 HA VAL 54 -3.283 9.776 -3.494 430 HB VAL 54 HB VAL 54 -4.029 7.538 -1.549 431 HG11 VAL 54 HG11 VAL 54 -4.935 9.705 -0.786 432 HG12 VAL 54 HG12 VAL 54 -6.242 8.681 -1.388 433 HG13 VAL 54 HG13 VAL 54 -5.623 10.000 -2.385 434 HG21 VAL 54 HG21 VAL 54 -5.205 8.243 -4.273 435 HG22 VAL 54 HG22 VAL 54 -5.770 6.950 -3.210 436 HG23 VAL 54 HG23 VAL 54 -4.164 6.861 -3.933 437 H PHE 55 H PHE 55 -1.691 8.134 -0.724 438 HA PHE 55 HA PHE 55 -1.864 10.207 1.165 439 HB2 PHE 55 HB2 PHE 55 0.180 7.964 0.891 440 HB3 PHE 55 HB3 PHE 55 0.179 9.086 2.248 441 HD1 PHE 55 HD1 PHE 55 -2.496 9.358 3.167 442 HD2 PHE 55 HD2 PHE 55 -0.626 5.862 1.540 443 HE1 PHE 55 HE1 PHE 55 -4.035 7.923 4.443 444 HE2 PHE 55 HE2 PHE 55 -2.175 4.444 2.810 445 HZ PHE 55 HZ PHE 55 -3.872 5.472 4.265 446 H TYR 56 H TYR 56 0.400 9.690 -1.463 447 HA TYR 56 HA TYR 56 2.395 11.554 -0.607 448 HB2 TYR 56 HB2 TYR 56 2.965 9.690 -2.114 449 HB3 TYR 56 HB3 TYR 56 1.874 10.318 -3.350 450 HD1 TYR 56 HD2 TYR 56 4.805 11.429 -1.283 451 HD2 TYR 56 HD1 TYR 56 2.836 11.651 -5.070 452 HE1 TYR 56 HE2 TYR 56 6.631 12.806 -2.146 453 HE2 TYR 56 HE1 TYR 56 4.654 13.040 -5.929 454 HH TYR 56 HH TYR 56 6.400 14.592 -4.986 455 H LYS 57 H LYS 57 -0.099 11.696 -3.192 456 HA LYS 57 HA LYS 57 0.357 14.384 -3.937 457 HB2 LYS 57 HB2 LYS 57 -1.721 14.240 -5.223 458 HB3 LYS 57 HB3 LYS 57 -0.773 12.772 -5.419 459 HG2 LYS 57 HG2 LYS 57 -2.244 11.600 -3.811 460 HG3 LYS 57 HG3 LYS 57 -3.194 13.072 -3.610 461 HD2 LYS 57 HD2 LYS 57 -4.361 11.579 -5.129 462 HD3 LYS 57 HD3 LYS 57 -3.798 12.982 -6.035 463 HE2 LYS 57 HE2 LYS 57 -1.882 11.626 -6.876 464 HE3 LYS 57 HE3 LYS 57 -2.510 10.232 -5.992 465 HZ1 LYS 57 HZ1 LYS 57 -3.884 11.675 -8.193 466 HZ2 LYS 57 HZ2 LYS 57 -4.537 10.367 -7.341 467 HZ3 LYS 57 HZ3 LYS 57 -3.163 10.154 -8.305 468 H GLU 58 H GLU 58 -1.708 13.018 -1.420 469 HA GLU 58 HA GLU 58 -2.941 15.573 -0.750 470 HB2 GLU 58 HB2 GLU 58 -2.994 12.965 0.833 471 HB3 GLU 58 HB3 GLU 58 -4.030 14.367 1.091 472 HG2 GLU 58 HG2 GLU 58 -4.051 12.485 -1.279 473 HG3 GLU 58 HG3 GLU 58 -5.283 12.646 -0.035 474 H HIS 59 H HIS 59 -0.011 14.030 -0.135 475 HA HIS 59 HA HIS 59 1.818 14.494 1.022 476 HB2 HIS 59 HB2 HIS 59 0.451 17.175 1.475 477 HB3 HIS 59 HB3 HIS 59 2.102 16.846 2.002 478 HD1 HIS 59 HD1 HIS 59 3.899 16.538 0.162 479 HD2 HIS 59 HD2 HIS 59 0.164 17.544 -1.309 480 HE1 HIS 59 HE1 HIS 59 4.288 17.237 -2.215 481 HE2 HIS 59 HE2 HIS 59 1.982 17.674 -3.122 482 H ASP 60 H ASP 60 -0.399 13.137 2.254 483 HA ASP 60 HA ASP 60 0.012 13.455 5.119 484 HB2 ASP 60 HB2 ASP 60 -2.196 12.698 4.109 485 HB3 ASP 60 HB3 ASP 60 -1.405 11.216 3.583 486 H THR 61 H THR 61 2.235 13.238 5.237 487 HA THR 61 HA THR 61 3.862 11.374 3.939 488 HB THR 61 HB THR 61 4.439 12.827 6.555 489 HG1 THR 61 HG1 THR 61 4.425 13.633 3.869 490 HG21 THR 61 HG21 THR 61 6.832 12.623 5.876 491 HG22 THR 61 HG22 THR 61 6.341 11.625 4.507 492 HG23 THR 61 HG23 THR 61 6.088 11.046 6.152 493 H ASP 62 H ASP 62 2.376 11.292 7.183 494 HA ASP 62 HA ASP 62 3.805 9.053 8.179 495 HB2 ASP 62 HB2 ASP 62 1.100 10.144 9.095 496 HB3 ASP 62 HB3 ASP 62 2.045 8.947 9.972 497 H GLY 63 H GLY 63 0.675 9.331 6.523 498 HA2 GLY 63 HA2 GLY 63 -0.059 6.581 6.624 499 HA3 GLY 63 HA3 GLY 63 -0.670 7.788 5.503 500 H LEU 64 H LEU 64 1.758 8.537 4.301 501 HA LEU 64 HA LEU 64 2.189 6.585 2.309 502 HB2 LEU 64 HB2 LEU 64 2.601 8.965 1.899 503 HB3 LEU 64 HB3 LEU 64 3.846 8.998 3.134 504 HG LEU 64 HG LEU 64 5.206 7.386 1.664 505 HD11 LEU 64 HD11 LEU 64 4.690 7.284 -0.723 506 HD12 LEU 64 HD12 LEU 64 3.172 8.141 -0.446 507 HD13 LEU 64 HD13 LEU 64 3.418 6.533 0.241 508 HD21 LEU 64 HD21 LEU 64 5.743 9.754 1.820 509 HD22 LEU 64 HD22 LEU 64 4.604 10.117 0.518 510 HD23 LEU 64 HD23 LEU 64 6.039 9.139 0.198 511 H ARG 65 H ARG 65 3.906 7.317 5.343 512 HA ARG 65 HA ARG 65 6.160 5.625 5.025 513 HB2 ARG 65 HB2 ARG 65 4.748 6.519 7.589 514 HB3 ARG 65 HB3 ARG 65 6.297 5.680 7.554 515 HG2 ARG 65 HG2 ARG 65 7.309 7.554 6.352 516 HG3 ARG 65 HG3 ARG 65 5.764 8.400 6.325 517 HD2 ARG 65 HD2 ARG 65 7.191 9.311 8.065 518 HD3 ARG 65 HD3 ARG 65 5.802 8.501 8.796 519 HE ARG 65 HE ARG 65 7.734 6.581 8.763 520 HH11 ARG 65 HH11 ARG 65 7.623 9.853 10.077 521 HH12 ARG 65 HH12 ARG 65 8.728 9.483 11.357 522 HH21 ARG 65 HH21 ARG 65 9.144 6.142 10.477 523 HH22 ARG 65 HH22 ARG 65 9.582 7.401 11.586 524 H ARG 66 H ARG 66 2.963 5.135 6.468 525 HA ARG 66 HA ARG 66 3.426 2.487 7.418 526 HB2 ARG 66 HB2 ARG 66 1.614 4.373 8.088 527 HB3 ARG 66 HB3 ARG 66 0.615 3.501 6.930 528 HG2 ARG 66 HG2 ARG 66 1.000 1.404 8.241 529 HG3 ARG 66 HG3 ARG 66 1.932 2.341 9.410 530 HD2 ARG 66 HD2 ARG 66 -0.189 3.778 9.707 531 HD3 ARG 66 HD3 ARG 66 -1.035 2.514 8.815 532 HE ARG 66 HE ARG 66 -0.217 2.473 11.545 533 HH11 ARG 66 HH11 ARG 66 -0.768 0.283 8.838 534 HH12 ARG 66 HH12 ARG 66 -1.059 -1.076 9.863 535 HH21 ARG 66 HH21 ARG 66 -0.613 0.685 12.837 536 HH22 ARG 66 HH22 ARG 66 -0.973 -0.851 12.117 537 H ALA 67 H ALA 67 2.120 3.864 4.467 538 HA ALA 67 HA ALA 67 1.083 1.437 3.337 539 HB1 ALA 67 HB1 ALA 67 1.701 4.091 1.988 540 HB2 ALA 67 HB2 ALA 67 0.153 3.623 2.695 541 HB3 ALA 67 HB3 ALA 67 0.772 2.762 1.284 542 H ALA 68 H ALA 68 4.104 3.289 3.098 543 HA ALA 68 HA ALA 68 5.304 1.812 0.976 544 HB1 ALA 68 HB1 ALA 68 7.392 2.940 1.643 545 HB2 ALA 68 HB2 ALA 68 6.633 3.491 3.141 546 HB3 ALA 68 HB3 ALA 68 6.052 4.088 1.582 547 H LYS 69 H LYS 69 5.530 1.632 4.521 548 HA LYS 69 HA LYS 69 7.437 -0.408 4.752 549 HB2 LYS 69 HB2 LYS 69 5.228 0.584 6.578 550 HB3 LYS 69 HB3 LYS 69 6.185 -0.818 7.050 551 HG2 LYS 69 HG2 LYS 69 7.340 1.916 6.406 552 HG3 LYS 69 HG3 LYS 69 7.002 1.315 8.036 553 HD2 LYS 69 HD2 LYS 69 8.599 -0.561 7.667 554 HD3 LYS 69 HD3 LYS 69 8.947 0.054 6.049 555 HE2 LYS 69 HE2 LYS 69 9.927 2.077 6.982 556 HE3 LYS 69 HE3 LYS 69 9.468 1.592 8.618 557 HZ1 LYS 69 HZ1 LYS 69 10.916 -0.348 8.385 558 HZ2 LYS 69 HZ2 LYS 69 11.779 1.097 8.200 559 HZ3 LYS 69 HZ3 LYS 69 11.380 0.175 6.843 560 H SER 70 H SER 70 3.875 -0.595 4.788 561 HA SER 70 HA SER 70 3.780 -3.428 5.039 562 HB2 SER 70 HB2 SER 70 1.973 -1.812 5.790 563 HB3 SER 70 HB3 SER 70 1.512 -1.633 4.096 564 HG SER 70 HG SER 70 1.446 -4.099 4.234 565 H LEU 71 H LEU 71 3.878 -1.237 2.277 566 HA LEU 71 HA LEU 71 3.187 -2.979 0.182 567 HB2 LEU 71 HB2 LEU 71 3.938 -0.376 0.274 568 HB3 LEU 71 HB3 LEU 71 5.458 -1.054 -0.252 569 HG LEU 71 HG LEU 71 2.800 -1.286 -1.726 570 HD11 LEU 71 HD11 LEU 71 3.803 0.215 -3.381 571 HD12 LEU 71 HD12 LEU 71 5.231 0.394 -2.357 572 HD13 LEU 71 HD13 LEU 71 3.657 0.963 -1.794 573 HD21 LEU 71 HD21 LEU 71 4.072 -2.209 -3.622 574 HD22 LEU 71 HD22 LEU 71 4.145 -3.258 -2.210 575 HD23 LEU 71 HD23 LEU 71 5.532 -2.251 -2.626 576 H LYS 72 H LYS 72 6.332 -2.278 1.708 577 HA LYS 72 HA LYS 72 7.858 -4.142 0.180 578 HB2 LYS 72 HB2 LYS 72 8.482 -2.699 2.785 579 HB3 LYS 72 HB3 LYS 72 9.652 -3.650 1.869 580 HG2 LYS 72 HG2 LYS 72 9.338 -2.135 -0.080 581 HG3 LYS 72 HG3 LYS 72 8.222 -1.160 0.884 582 HD2 LYS 72 HD2 LYS 72 10.430 -0.116 0.865 583 HD3 LYS 72 HD3 LYS 72 10.056 -0.680 2.495 584 HE2 LYS 72 HE2 LYS 72 11.462 -2.712 2.063 585 HE3 LYS 72 HE3 LYS 72 11.883 -2.046 0.482 586 HZ1 LYS 72 HZ1 LYS 72 12.460 -0.763 3.099 587 HZ2 LYS 72 HZ2 LYS 72 12.900 -0.162 1.581 588 HZ3 LYS 72 HZ3 LYS 72 13.582 -1.602 2.148 589 H GLU 73 H GLU 73 6.205 -4.324 3.288 590 HA GLU 73 HA GLU 73 7.169 -6.875 4.130 591 HB2 GLU 73 HB2 GLU 73 4.643 -5.330 4.871 592 HB3 GLU 73 HB3 GLU 73 5.104 -6.851 5.640 593 HG2 GLU 73 HG2 GLU 73 7.164 -5.839 6.493 594 HG3 GLU 73 HG3 GLU 73 6.801 -4.334 5.645 595 H ALA 74 H ALA 74 4.538 -5.775 2.075 596 HA ALA 74 HA ALA 74 3.313 -8.308 1.657 597 HB1 ALA 74 HB1 ALA 74 2.083 -6.234 1.176 598 HB2 ALA 74 HB2 ALA 74 2.176 -7.251 -0.263 599 HB3 ALA 74 HB3 ALA 74 3.221 -5.835 -0.117 600 H ILE 75 H ILE 75 5.959 -6.521 0.041 601 HA ILE 75 HA ILE 75 6.198 -8.105 -2.280 602 HB ILE 75 HB ILE 75 8.459 -6.612 -0.882 603 HG12 ILE 75 HG12 ILE 75 6.729 -4.996 -1.339 604 HG13 ILE 75 HG13 ILE 75 7.961 -4.777 -2.568 605 HG21 ILE 75 HG21 ILE 75 9.309 -8.211 -2.534 606 HG22 ILE 75 HG22 ILE 75 9.537 -6.564 -3.115 607 HG23 ILE 75 HG23 ILE 75 8.230 -7.556 -3.770 608 HD11 ILE 75 HD11 ILE 75 5.808 -4.574 -3.546 609 HD12 ILE 75 HD12 ILE 75 5.295 -6.125 -2.890 610 HD13 ILE 75 HD13 ILE 75 6.543 -6.062 -4.139 611 H THR 76 H THR 76 7.878 -8.305 0.815 612 HA THR 76 HA THR 76 9.447 -10.600 0.227 613 HB THR 76 HB THR 76 9.722 -10.688 2.764 614 HG1 THR 76 HG1 THR 76 8.468 -8.184 2.947 615 HG21 THR 76 HG21 THR 76 10.202 -7.972 1.477 616 HG22 THR 76 HG22 THR 76 11.290 -9.359 1.382 617 HG23 THR 76 HG23 THR 76 10.990 -8.581 2.938 618 H ALA 77 H ALA 77 6.132 -10.201 1.040 619 HA ALA 77 HA ALA 77 5.717 -13.013 1.809 620 HB1 ALA 77 HB1 ALA 77 3.806 -10.641 1.815 621 HB2 ALA 77 HB2 ALA 77 4.685 -11.271 3.212 622 HB3 ALA 77 HB3 ALA 77 3.456 -12.259 2.427 623 H ILE 78 H ILE 78 5.633 -11.059 -1.029 624 HA ILE 78 HA ILE 78 3.473 -12.302 -2.436 625 HB ILE 78 HB ILE 78 5.956 -10.976 -3.645 626 HG12 ILE 78 HG12 ILE 78 3.178 -9.835 -3.186 627 HG13 ILE 78 HG13 ILE 78 4.631 -9.395 -2.307 628 HG21 ILE 78 HG21 ILE 78 3.328 -11.694 -5.020 629 HG22 ILE 78 HG22 ILE 78 4.882 -12.488 -5.278 630 HG23 ILE 78 HG23 ILE 78 4.666 -10.809 -5.760 631 HD11 ILE 78 HD11 ILE 78 5.596 -8.496 -4.368 632 HD12 ILE 78 HD12 ILE 78 4.087 -7.709 -3.913 633 HD13 ILE 78 HD13 ILE 78 4.099 -8.890 -5.223 634 HA PRO 79 HA PRO 79 5.510 -16.303 -3.450 635 HB2 PRO 79 HB2 PRO 79 3.776 -16.862 -5.604 636 HB3 PRO 79 HB3 PRO 79 3.437 -17.281 -3.911 637 HG2 PRO 79 HG2 PRO 79 2.509 -14.889 -5.476 638 HG3 PRO 79 HG3 PRO 79 1.592 -15.926 -4.358 639 HD2 PRO 79 HD2 PRO 79 2.475 -13.546 -3.542 640 HD3 PRO 79 HD3 PRO 79 2.562 -14.942 -2.439 641 H GLU 80 H GLU 80 7.225 -16.596 -4.807 642 HA GLU 80 HA GLU 80 7.964 -14.491 -6.673 643 HB2 GLU 80 HB2 GLU 80 10.149 -15.681 -6.789 644 HB3 GLU 80 HB3 GLU 80 9.668 -15.327 -5.133 645 HG2 GLU 80 HG2 GLU 80 8.944 -17.657 -4.821 646 HG3 GLU 80 HG3 GLU 80 9.370 -18.028 -6.491 647 H GLU 81 H GLU 81 5.754 -15.630 -7.693 648 HA GLU 81 HA GLU 81 6.118 -17.750 -9.551 649 HB2 GLU 81 HB2 GLU 81 3.885 -16.969 -8.641 650 HB3 GLU 81 HB3 GLU 81 4.052 -15.498 -9.588 651 HG2 GLU 81 HG2 GLU 81 2.543 -17.025 -10.728 652 HG3 GLU 81 HG3 GLU 81 4.021 -16.850 -11.678 653 H GLU 82 H GLU 82 5.719 -14.233 -10.072 654 HA GLU 82 HA GLU 82 7.747 -14.115 -12.116 655 HB2 GLU 82 HB2 GLU 82 5.698 -15.148 -13.282 656 HB3 GLU 82 HB3 GLU 82 4.836 -13.653 -12.976 657 HG2 GLU 82 HG2 GLU 82 7.315 -13.916 -14.721 658 HG3 GLU 82 HG3 GLU 82 5.660 -13.876 -15.316 659 H GLY 83 H GLY 83 4.736 -12.495 -11.043 660 HA2 GLY 83 HA2 GLY 83 5.677 -9.864 -11.653 661 HA3 GLY 83 HA3 GLY 83 4.159 -10.298 -10.903 662 H ARG 84 H ARG 84 6.514 -11.684 -9.012 663 HA ARG 84 HA ARG 84 6.439 -9.862 -6.854 664 HB2 ARG 84 HB2 ARG 84 7.034 -12.385 -6.870 665 HB3 ARG 84 HB3 ARG 84 8.648 -11.920 -7.388 666 HG2 ARG 84 HG2 ARG 84 7.430 -10.827 -4.835 667 HG3 ARG 84 HG3 ARG 84 8.202 -12.408 -4.862 668 HD2 ARG 84 HD2 ARG 84 9.536 -9.771 -5.563 669 HD3 ARG 84 HD3 ARG 84 9.710 -10.635 -4.033 670 HE ARG 84 HE ARG 84 10.636 -12.518 -5.465 671 HH11 ARG 84 HH11 ARG 84 11.039 -9.134 -6.372 672 HH12 ARG 84 HH12 ARG 84 12.497 -9.436 -7.253 673 HH21 ARG 84 HH21 ARG 84 12.551 -12.861 -6.616 674 HH22 ARG 84 HH22 ARG 84 13.347 -11.527 -7.388 675 H LYS 85 H LYS 85 8.429 -10.140 -9.694 676 HA LYS 85 HA LYS 85 10.602 -8.472 -9.075 677 HB2 LYS 85 HB2 LYS 85 10.644 -10.025 -10.972 678 HB3 LYS 85 HB3 LYS 85 9.306 -9.183 -11.740 679 HG2 LYS 85 HG2 LYS 85 11.431 -8.653 -12.849 680 HG3 LYS 85 HG3 LYS 85 10.720 -7.211 -12.124 681 HD2 LYS 85 HD2 LYS 85 13.154 -7.260 -11.777 682 HD3 LYS 85 HD3 LYS 85 12.313 -7.373 -10.228 683 HE2 LYS 85 HE2 LYS 85 12.751 -9.776 -10.130 684 HE3 LYS 85 HE3 LYS 85 13.445 -9.750 -11.752 685 HZ1 LYS 85 HZ1 LYS 85 14.557 -8.356 -9.379 686 HZ2 LYS 85 HZ2 LYS 85 15.203 -8.323 -10.936 687 HZ3 LYS 85 HZ3 LYS 85 15.155 -9.775 -10.079 688 H GLU 86 H GLU 86 7.661 -7.691 -11.016 689 HA GLU 86 HA GLU 86 8.326 -4.941 -11.300 690 HB2 GLU 86 HB2 GLU 86 6.106 -4.701 -12.346 691 HB3 GLU 86 HB3 GLU 86 7.011 -6.057 -12.986 692 HG2 GLU 86 HG2 GLU 86 4.973 -7.088 -12.809 693 HG3 GLU 86 HG3 GLU 86 5.562 -7.418 -11.182 694 H ALA 87 H ALA 87 6.390 -6.722 -9.018 695 HA ALA 87 HA ALA 87 5.096 -4.526 -7.788 696 HB1 ALA 87 HB1 ALA 87 4.543 -6.094 -5.991 697 HB2 ALA 87 HB2 ALA 87 5.695 -7.267 -6.641 698 HB3 ALA 87 HB3 ALA 87 4.264 -6.821 -7.575 699 H LYS 88 H LYS 88 8.191 -6.120 -7.277 700 HA LYS 88 HA LYS 88 8.985 -4.902 -4.858 701 HB2 LYS 88 HB2 LYS 88 10.029 -6.898 -6.299 702 HB3 LYS 88 HB3 LYS 88 10.986 -5.629 -7.036 703 HG2 LYS 88 HG2 LYS 88 10.929 -6.254 -4.067 704 HG3 LYS 88 HG3 LYS 88 12.136 -6.873 -5.190 705 HD2 LYS 88 HD2 LYS 88 12.937 -4.572 -5.615 706 HD3 LYS 88 HD3 LYS 88 11.680 -3.927 -4.555 707 HE2 LYS 88 HE2 LYS 88 12.683 -5.102 -2.638 708 HE3 LYS 88 HE3 LYS 88 13.931 -5.773 -3.690 709 HZ1 LYS 88 HZ1 LYS 88 13.500 -2.897 -3.108 710 HZ2 LYS 88 HZ2 LYS 88 14.665 -3.517 -4.159 711 HZ3 LYS 88 HZ3 LYS 88 14.748 -3.866 -2.509 712 H GLU 89 H GLU 89 9.152 -3.949 -8.248 713 HA GLU 89 HA GLU 89 10.740 -1.601 -7.976 714 HB2 GLU 89 HB2 GLU 89 8.781 -2.345 -10.196 715 HB3 GLU 89 HB3 GLU 89 10.020 -1.088 -10.291 716 HG2 GLU 89 HG2 GLU 89 11.783 -2.814 -10.005 717 HG3 GLU 89 HG3 GLU 89 10.540 -4.063 -9.943 718 H MET 90 H MET 90 7.288 -2.255 -7.707 719 HA MET 90 HA MET 90 6.354 0.439 -7.588 720 HB2 MET 90 HB2 MET 90 5.165 -2.058 -6.324 721 HB3 MET 90 HB3 MET 90 4.335 -0.518 -6.470 722 HG2 MET 90 HG2 MET 90 4.674 -0.766 -8.996 723 HG3 MET 90 HG3 MET 90 5.081 -2.448 -8.657 724 HE1 MET 90 HE1 MET 90 3.281 -4.172 -7.467 725 HE2 MET 90 HE2 MET 90 1.680 -3.649 -6.956 726 HE3 MET 90 HE3 MET 90 3.111 -3.018 -6.142 727 H ALA 91 H ALA 91 7.495 -1.859 -5.144 728 HA ALA 91 HA ALA 91 7.072 -0.271 -2.840 729 HB1 ALA 91 HB1 ALA 91 8.645 -1.814 -1.727 730 HB2 ALA 91 HB2 ALA 91 9.111 -2.475 -3.294 731 HB3 ALA 91 HB3 ALA 91 7.463 -2.687 -2.701 732 H LYS 92 H LYS 92 9.699 -0.400 -5.224 733 HA LYS 92 HA LYS 92 11.581 1.237 -3.886 734 HB2 LYS 92 HB2 LYS 92 11.150 0.863 -6.881 735 HB3 LYS 92 HB3 LYS 92 12.505 1.743 -6.176 736 HG2 LYS 92 HG2 LYS 92 13.043 -0.438 -4.914 737 HG3 LYS 92 HG3 LYS 92 11.926 -1.224 -6.031 738 HD2 LYS 92 HD2 LYS 92 14.397 0.362 -6.854 739 HD3 LYS 92 HD3 LYS 92 14.340 -1.391 -6.705 740 HE2 LYS 92 HE2 LYS 92 14.139 -0.925 -9.026 741 HE3 LYS 92 HE3 LYS 92 12.515 -1.354 -8.498 742 HZ1 LYS 92 HZ1 LYS 92 11.911 0.968 -8.499 743 HZ2 LYS 92 HZ2 LYS 92 12.594 0.578 -9.991 744 HZ3 LYS 92 HZ3 LYS 92 13.502 1.429 -8.850 745 H LYS 93 H LYS 93 8.861 1.986 -6.064 746 HA LYS 93 HA LYS 93 9.219 4.768 -6.333 747 HB2 LYS 93 HB2 LYS 93 6.715 3.049 -6.367 748 HB3 LYS 93 HB3 LYS 93 6.649 4.778 -6.680 749 HG2 LYS 93 HG2 LYS 93 8.373 2.901 -8.316 750 HG3 LYS 93 HG3 LYS 93 6.678 3.216 -8.701 751 HD2 LYS 93 HD2 LYS 93 7.205 5.657 -8.902 752 HD3 LYS 93 HD3 LYS 93 8.897 5.291 -8.583 753 HE2 LYS 93 HE2 LYS 93 9.003 3.922 -10.628 754 HE3 LYS 93 HE3 LYS 93 7.296 4.248 -10.939 755 HZ1 LYS 93 HZ1 LYS 93 7.788 6.550 -11.231 756 HZ2 LYS 93 HZ2 LYS 93 8.817 5.660 -12.229 757 HZ3 LYS 93 HZ3 LYS 93 9.401 6.330 -10.789 758 H ALA 94 H ALA 94 7.508 2.870 -3.872 759 HA ALA 94 HA ALA 94 6.333 4.981 -2.412 760 HB1 ALA 94 HB1 ALA 94 5.604 2.634 -2.238 761 HB2 ALA 94 HB2 ALA 94 5.980 3.310 -0.654 762 HB3 ALA 94 HB3 ALA 94 7.122 2.215 -1.437 763 H GLU 95 H GLU 95 9.483 3.368 -2.118 764 HA GLU 95 HA GLU 95 10.432 4.702 0.209 765 HB2 GLU 95 HB2 GLU 95 11.969 3.438 -2.102 766 HB3 GLU 95 HB3 GLU 95 12.703 3.956 -0.585 767 HG2 GLU 95 HG2 GLU 95 11.444 2.287 0.659 768 HG3 GLU 95 HG3 GLU 95 10.539 1.835 -0.785 769 H GLU 96 H GLU 96 10.594 5.443 -3.262 770 HA GLU 96 HA GLU 96 12.385 7.635 -3.174 771 HB2 GLU 96 HB2 GLU 96 10.165 7.030 -5.187 772 HB3 GLU 96 HB3 GLU 96 11.424 8.238 -5.422 773 HG2 GLU 96 HG2 GLU 96 11.915 5.266 -5.109 774 HG3 GLU 96 HG3 GLU 96 11.830 6.112 -6.648 775 H TRP 97 H TRP 97 8.819 7.513 -3.292 776 HA TRP 97 HA TRP 97 8.266 10.257 -3.107 777 HB2 TRP 97 HB2 TRP 97 6.572 7.891 -2.180 778 HB3 TRP 97 HB3 TRP 97 5.977 9.538 -2.367 779 HD1 TRP 97 HD1 TRP 97 7.469 10.055 -5.265 780 HE1 TRP 97 HE1 TRP 97 6.431 8.940 -7.335 781 HE3 TRP 97 HE3 TRP 97 4.738 6.420 -2.947 782 HZ2 TRP 97 HZ2 TRP 97 4.684 6.826 -7.912 783 HZ3 TRP 97 HZ3 TRP 97 3.396 4.890 -4.333 784 HH2 TRP 97 HH2 TRP 97 3.379 5.100 -6.768 785 H LEU 98 H LEU 98 8.945 7.845 -0.642 786 HA LEU 98 HA LEU 98 8.132 9.335 1.617 787 HB2 LEU 98 HB2 LEU 98 8.496 6.868 1.631 788 HB3 LEU 98 HB3 LEU 98 10.223 7.137 1.458 789 HG LEU 98 HG LEU 98 10.340 8.194 3.677 790 HD11 LEU 98 HD11 LEU 98 7.339 7.776 3.846 791 HD12 LEU 98 HD12 LEU 98 8.169 9.326 3.680 792 HD13 LEU 98 HD13 LEU 98 8.385 8.371 5.140 793 HD21 LEU 98 HD21 LEU 98 10.557 5.751 3.596 794 HD22 LEU 98 HD22 LEU 98 8.812 5.571 3.802 795 HD23 LEU 98 HD23 LEU 98 9.791 6.268 5.095 796 H GLN 99 H GLN 99 11.241 9.108 -0.133 797 HA GLN 99 HA GLN 99 12.735 10.758 1.663 798 HB2 GLN 99 HB2 GLN 99 13.257 10.286 -1.305 799 HB3 GLN 99 HB3 GLN 99 14.411 10.921 -0.140 800 HG2 GLN 99 HG2 GLN 99 13.226 8.135 -0.059 801 HG3 GLN 99 HG3 GLN 99 14.795 8.535 -0.742 802 HE21 GLN 99 HE21 GLN 99 15.846 7.103 0.672 803 HE22 GLN 99 HE22 GLN 99 16.054 7.442 2.354 804 H ALA 100 H ALA 100 10.580 11.424 -1.020 805 HA ALA 100 HA ALA 100 11.223 14.166 -1.461 806 HB1 ALA 100 HB1 ALA 100 9.089 14.248 -2.707 807 HB2 ALA 100 HB2 ALA 100 8.640 12.669 -2.057 808 HB3 ALA 100 HB3 ALA 100 10.027 12.818 -3.140 809 H GLU 101 H GLU 101 8.725 12.532 0.487 810 HA GLU 101 HA GLU 101 7.506 14.912 1.512 811 HB2 GLU 101 HB2 GLU 101 7.330 11.990 2.323 812 HB3 GLU 101 HB3 GLU 101 6.392 13.258 3.104 813 HG2 GLU 101 HG2 GLU 101 6.249 12.514 0.177 814 HG3 GLU 101 HG3 GLU 101 5.093 12.031 1.415 815 H GLN 102 H GLN 102 9.907 12.627 2.801 816 HA GLN 102 HA GLN 102 10.137 13.938 5.364 817 HB2 GLN 102 HB2 GLN 102 11.825 11.790 4.004 818 HB3 GLN 102 HB3 GLN 102 12.190 12.427 5.603 819 HG2 GLN 102 HG2 GLN 102 9.642 10.978 4.836 820 HG3 GLN 102 HG3 GLN 102 11.003 10.270 5.705 821 HE21 GLN 102 HE21 GLN 102 8.321 10.367 6.647 822 HE22 GLN 102 HE22 GLN 102 8.291 11.332 8.080 823 H ASN 103 H ASN 103 10.880 15.994 5.313 824 HA ASN 103 HA ASN 103 13.492 16.581 4.107 825 HB2 ASN 103 HB2 ASN 103 11.617 17.054 2.400 826 HB3 ASN 103 HB3 ASN 103 11.054 18.331 3.470 827 HD21 ASN 103 HD21 ASN 103 12.012 18.546 0.747 828 HD22 ASN 103 HD22 ASN 103 13.379 19.604 0.774 829 H ASN 104 H ASN 104 14.607 17.482 5.698 830 HA ASN 104 HA ASN 104 13.501 19.591 7.402 831 HB2 ASN 104 HB2 ASN 104 13.033 17.629 8.760 832 HB3 ASN 104 HB3 ASN 104 14.636 16.962 8.467 833 HD21 ASN 104 HD21 ASN 104 16.367 17.677 9.726 834 HD22 ASN 104 HD22 ASN 104 16.175 18.728 11.084 Start of MODEL 18 1 H1 ALA 1 H1 ALA 1 -13.316 -13.361 4.667 2 H2 ALA 1 H2 ALA 1 -12.073 -14.506 4.652 3 H3 ALA 1 H3 ALA 1 -13.140 -14.392 3.347 4 HA ALA 1 HA ALA 1 -11.261 -12.278 4.193 5 HB1 ALA 1 HB1 ALA 1 -11.073 -14.166 1.827 6 HB2 ALA 1 HB2 ALA 1 -10.058 -14.213 3.269 7 HB3 ALA 1 HB3 ALA 1 -9.968 -12.834 2.171 8 H ASP 2 H ASP 2 -13.198 -13.476 1.393 9 HA ASP 2 HA ASP 2 -13.139 -11.056 -0.030 10 HB2 ASP 2 HB2 ASP 2 -14.822 -12.038 -1.533 11 HB3 ASP 2 HB3 ASP 2 -13.553 -13.194 -1.156 12 H GLU 3 H GLU 3 -15.307 -12.111 2.469 13 HA GLU 3 HA GLU 3 -17.470 -10.362 2.245 14 HB2 GLU 3 HB2 GLU 3 -17.387 -12.241 3.865 15 HB3 GLU 3 HB3 GLU 3 -16.071 -11.465 4.735 16 HG2 GLU 3 HG2 GLU 3 -18.157 -11.219 5.969 17 HG3 GLU 3 HG3 GLU 3 -17.592 -9.642 5.421 18 H ASN 4 H ASN 4 -14.454 -9.969 4.119 19 HA ASN 4 HA ASN 4 -14.855 -7.325 5.030 20 HB2 ASN 4 HB2 ASN 4 -12.234 -8.856 4.655 21 HB3 ASN 4 HB3 ASN 4 -12.407 -7.354 5.562 22 HD21 ASN 4 HD21 ASN 4 -11.579 -8.405 7.376 23 HD22 ASN 4 HD22 ASN 4 -12.539 -9.493 8.315 24 H ILE 5 H ILE 5 -13.123 -8.657 2.251 25 HA ILE 5 HA ILE 5 -11.808 -6.386 1.287 26 HB ILE 5 HB ILE 5 -12.913 -8.721 -0.360 27 HG12 ILE 5 HG12 ILE 5 -10.154 -8.385 0.900 28 HG13 ILE 5 HG13 ILE 5 -11.409 -9.461 1.491 29 HG21 ILE 5 HG21 ILE 5 -10.686 -6.758 -1.045 30 HG22 ILE 5 HG22 ILE 5 -12.292 -6.792 -1.771 31 HG23 ILE 5 HG23 ILE 5 -11.185 -8.138 -2.030 32 HD11 ILE 5 HD11 ILE 5 -9.963 -9.680 -1.141 33 HD12 ILE 5 HD12 ILE 5 -11.264 -10.744 -0.594 34 HD13 ILE 5 HD13 ILE 5 -9.737 -10.687 0.287 35 H ALA 6 H ALA 6 -14.959 -7.777 0.316 36 HA ALA 6 HA ALA 6 -15.749 -5.841 -1.558 37 HB1 ALA 6 HB1 ALA 6 -16.817 -8.058 -1.389 38 HB2 ALA 6 HB2 ALA 6 -18.018 -6.771 -1.291 39 HB3 ALA 6 HB3 ALA 6 -17.514 -7.616 0.174 40 H LYS 7 H LYS 7 -16.122 -6.011 1.951 41 HA LYS 7 HA LYS 7 -17.996 -3.895 2.287 42 HB2 LYS 7 HB2 LYS 7 -17.620 -5.689 3.949 43 HB3 LYS 7 HB3 LYS 7 -15.992 -5.089 4.250 44 HG2 LYS 7 HG2 LYS 7 -16.909 -2.997 5.174 45 HG3 LYS 7 HG3 LYS 7 -18.552 -3.537 4.814 46 HD2 LYS 7 HD2 LYS 7 -16.619 -4.853 6.766 47 HD3 LYS 7 HD3 LYS 7 -18.021 -3.871 7.196 48 HE2 LYS 7 HE2 LYS 7 -19.499 -5.567 6.107 49 HE3 LYS 7 HE3 LYS 7 -18.076 -6.557 5.772 50 HZ1 LYS 7 HZ1 LYS 7 -19.032 -5.765 8.466 51 HZ2 LYS 7 HZ2 LYS 7 -17.677 -6.719 8.141 52 HZ3 LYS 7 HZ3 LYS 7 -19.220 -7.286 7.756 53 H PHE 8 H PHE 8 -14.438 -4.031 2.354 54 HA PHE 8 HA PHE 8 -14.070 -1.255 3.069 55 HB2 PHE 8 HB2 PHE 8 -12.060 -3.247 1.923 56 HB3 PHE 8 HB3 PHE 8 -11.657 -1.656 2.567 57 HD1 PHE 8 HD1 PHE 8 -13.435 -1.632 5.020 58 HD2 PHE 8 HD2 PHE 8 -10.877 -4.686 3.435 59 HE1 PHE 8 HE1 PHE 8 -13.167 -2.588 7.265 60 HE2 PHE 8 HE2 PHE 8 -10.629 -5.625 5.695 61 HZ PHE 8 HZ PHE 8 -11.773 -4.585 7.600 62 H GLU 9 H GLU 9 -14.507 -3.034 0.113 63 HA GLU 9 HA GLU 9 -13.818 -0.874 -1.686 64 HB2 GLU 9 HB2 GLU 9 -15.360 -3.457 -2.142 65 HB3 GLU 9 HB3 GLU 9 -14.955 -2.307 -3.418 66 HG2 GLU 9 HG2 GLU 9 -12.539 -2.660 -2.940 67 HG3 GLU 9 HG3 GLU 9 -12.976 -3.864 -1.726 68 H LYS 10 H LYS 10 -16.645 -1.882 0.102 69 HA LYS 10 HA LYS 10 -18.503 -0.125 -1.272 70 HB2 LYS 10 HB2 LYS 10 -18.695 -1.650 1.363 71 HB3 LYS 10 HB3 LYS 10 -20.010 -0.672 0.713 72 HG2 LYS 10 HG2 LYS 10 -20.269 -2.117 -1.192 73 HG3 LYS 10 HG3 LYS 10 -18.784 -2.992 -0.806 74 HD2 LYS 10 HD2 LYS 10 -19.883 -3.785 1.331 75 HD3 LYS 10 HD3 LYS 10 -21.379 -3.018 0.792 76 HE2 LYS 10 HE2 LYS 10 -21.429 -4.487 -1.182 77 HE3 LYS 10 HE3 LYS 10 -19.911 -5.229 -0.679 78 HZ1 LYS 10 HZ1 LYS 10 -21.710 -6.636 -0.058 79 HZ2 LYS 10 HZ2 LYS 10 -22.518 -5.379 0.735 80 HZ3 LYS 10 HZ3 LYS 10 -21.064 -5.972 1.359 81 H ALA 11 H ALA 11 -16.050 0.237 1.068 82 HA ALA 11 HA ALA 11 -16.941 2.943 1.870 83 HB1 ALA 11 HB1 ALA 11 -14.586 1.280 2.858 84 HB2 ALA 11 HB2 ALA 11 -16.140 1.463 3.674 85 HB3 ALA 11 HB3 ALA 11 -15.081 2.859 3.482 86 H TYR 12 H TYR 12 -14.918 1.318 -0.364 87 HA TYR 12 HA TYR 12 -13.360 3.712 -1.090 88 HB2 TYR 12 HB2 TYR 12 -12.188 1.486 -0.881 89 HB3 TYR 12 HB3 TYR 12 -13.214 0.836 -2.155 90 HD1 TYR 12 HD2 TYR 12 -10.701 3.540 -1.493 91 HD2 TYR 12 HD1 TYR 12 -12.465 0.989 -4.420 92 HE1 TYR 12 HE2 TYR 12 -9.123 4.369 -3.163 93 HE2 TYR 12 HE1 TYR 12 -10.864 1.808 -6.096 94 HH TYR 12 HH TYR 12 -9.482 3.956 -6.425 95 H LYS 13 H LYS 13 -13.295 4.187 -3.530 96 HA LYS 13 HA LYS 13 -14.287 5.032 -5.362 97 HB2 LYS 13 HB2 LYS 13 -16.003 2.516 -5.166 98 HB3 LYS 13 HB3 LYS 13 -16.117 3.646 -6.510 99 HG2 LYS 13 HG2 LYS 13 -13.758 3.205 -7.084 100 HG3 LYS 13 HG3 LYS 13 -13.649 2.064 -5.739 101 HD2 LYS 13 HD2 LYS 13 -15.364 0.627 -6.800 102 HD3 LYS 13 HD3 LYS 13 -15.526 1.780 -8.127 103 HE2 LYS 13 HE2 LYS 13 -13.163 1.370 -8.744 104 HE3 LYS 13 HE3 LYS 13 -13.034 0.189 -7.440 105 HZ1 LYS 13 HZ1 LYS 13 -14.860 0.002 -9.780 106 HZ2 LYS 13 HZ2 LYS 13 -14.750 -1.129 -8.528 107 HZ3 LYS 13 HZ3 LYS 13 -13.435 -0.881 -9.558 108 H LYS 14 H LYS 14 -17.353 3.667 -4.133 109 HA LYS 14 HA LYS 14 -18.569 6.237 -3.647 110 HB2 LYS 14 HB2 LYS 14 -19.819 4.109 -4.320 111 HB3 LYS 14 HB3 LYS 14 -19.469 3.448 -2.733 112 HG2 LYS 14 HG2 LYS 14 -21.016 6.041 -3.070 113 HG3 LYS 14 HG3 LYS 14 -21.819 4.477 -3.159 114 HD2 LYS 14 HD2 LYS 14 -20.263 5.537 -0.765 115 HD3 LYS 14 HD3 LYS 14 -22.021 5.496 -0.913 116 HE2 LYS 14 HE2 LYS 14 -22.074 3.104 -0.843 117 HE3 LYS 14 HE3 LYS 14 -20.328 2.982 -1.086 118 HZ1 LYS 14 HZ1 LYS 14 -20.901 2.580 1.194 119 HZ2 LYS 14 HZ2 LYS 14 -21.673 4.079 1.311 120 HZ3 LYS 14 HZ3 LYS 14 -20.004 4.005 1.067 121 H ALA 15 H ALA 15 -16.977 7.200 -2.319 122 HA ALA 15 HA ALA 15 -16.258 5.927 0.248 123 HB1 ALA 15 HB1 ALA 15 -14.434 6.610 -1.251 124 HB2 ALA 15 HB2 ALA 15 -14.390 7.510 0.266 125 HB3 ALA 15 HB3 ALA 15 -15.006 8.280 -1.201 126 H GLU 16 H GLU 16 -17.015 9.223 -0.967 127 HA GLU 16 HA GLU 16 -19.210 9.575 0.824 128 HB2 GLU 16 HB2 GLU 16 -16.930 10.011 2.229 129 HB3 GLU 16 HB3 GLU 16 -17.011 11.586 1.467 130 HG2 GLU 16 HG2 GLU 16 -19.152 10.367 3.246 131 HG3 GLU 16 HG3 GLU 16 -17.974 11.577 3.747 132 H GLU 17 H GLU 17 -19.547 9.685 -1.632 133 HA GLU 17 HA GLU 17 -20.349 10.753 -3.407 134 HB2 GLU 17 HB2 GLU 17 -21.774 11.823 -1.709 135 HB3 GLU 17 HB3 GLU 17 -20.603 13.128 -1.535 136 HG2 GLU 17 HG2 GLU 17 -21.015 13.857 -3.830 137 HG3 GLU 17 HG3 GLU 17 -22.109 12.496 -4.101 138 H LEU 18 H LEU 18 -18.706 13.656 -2.100 139 HA LEU 18 HA LEU 18 -17.579 14.322 -4.680 140 HB2 LEU 18 HB2 LEU 18 -18.505 15.900 -2.760 141 HB3 LEU 18 HB3 LEU 18 -16.893 15.754 -2.088 142 HG LEU 18 HG LEU 18 -17.479 16.833 -4.884 143 HD11 LEU 18 HD11 LEU 18 -16.975 18.407 -2.347 144 HD12 LEU 18 HD12 LEU 18 -18.494 18.297 -3.241 145 HD13 LEU 18 HD13 LEU 18 -17.099 19.073 -3.980 146 HD21 LEU 18 HD21 LEU 18 -15.192 15.980 -4.692 147 HD22 LEU 18 HD22 LEU 18 -14.913 16.971 -3.260 148 HD23 LEU 18 HD23 LEU 18 -15.185 17.735 -4.830 149 H ASN 19 H ASN 19 -16.230 12.529 -5.038 150 HA ASN 19 HA ASN 19 -14.223 11.648 -3.182 151 HB2 ASN 19 HB2 ASN 19 -14.705 10.904 -6.101 152 HB3 ASN 19 HB3 ASN 19 -13.550 10.101 -5.038 153 HD21 ASN 19 HD21 ASN 19 -15.948 9.076 -6.413 154 HD22 ASN 19 HD22 ASN 19 -16.912 8.360 -5.175 155 H GLN 20 H GLN 20 -13.058 13.524 -2.807 156 HA GLN 20 HA GLN 20 -11.569 14.995 -4.707 157 HB2 GLN 20 HB2 GLN 20 -11.037 14.481 -1.746 158 HB3 GLN 20 HB3 GLN 20 -10.187 15.679 -2.717 159 HG2 GLN 20 HG2 GLN 20 -12.280 16.920 -3.050 160 HG3 GLN 20 HG3 GLN 20 -13.155 15.716 -2.101 161 HE21 GLN 20 HE21 GLN 20 -12.641 18.639 -1.661 162 HE22 GLN 20 HE22 GLN 20 -12.004 18.734 -0.058 163 H GLY 21 H GLY 21 -10.790 12.232 -2.655 164 HA2 GLY 21 HA2 GLY 21 -8.987 10.698 -3.760 165 HA3 GLY 21 HA3 GLY 21 -7.983 12.135 -3.530 166 H GLU 22 H GLU 22 -8.725 13.168 -1.275 167 HA GLU 22 HA GLU 22 -7.559 12.100 0.904 168 HB2 GLU 22 HB2 GLU 22 -8.408 14.383 0.811 169 HB3 GLU 22 HB3 GLU 22 -10.074 13.814 0.750 170 HG2 GLU 22 HG2 GLU 22 -9.700 12.854 3.089 171 HG3 GLU 22 HG3 GLU 22 -8.170 13.737 3.109 172 H LEU 23 H LEU 23 -10.822 11.413 -0.170 173 HA LEU 23 HA LEU 23 -11.822 10.155 2.171 174 HB2 LEU 23 HB2 LEU 23 -12.841 9.963 -0.673 175 HB3 LEU 23 HB3 LEU 23 -13.751 9.566 0.777 176 HG LEU 23 HG LEU 23 -12.804 12.346 -0.027 177 HD11 LEU 23 HD11 LEU 23 -14.636 11.568 -1.420 178 HD12 LEU 23 HD12 LEU 23 -15.180 12.849 -0.342 179 HD13 LEU 23 HD13 LEU 23 -15.593 11.168 0.008 180 HD21 LEU 23 HD21 LEU 23 -12.784 12.128 2.406 181 HD22 LEU 23 HD22 LEU 23 -14.440 11.512 2.391 182 HD23 LEU 23 HD23 LEU 23 -14.104 13.172 1.891 183 H MET 24 H MET 24 -9.663 9.021 -0.086 184 HA MET 24 HA MET 24 -10.255 6.150 0.368 185 HB2 MET 24 HB2 MET 24 -9.467 7.572 -2.224 186 HB3 MET 24 HB3 MET 24 -9.441 5.825 -2.024 187 HG2 MET 24 HG2 MET 24 -11.781 5.661 -1.931 188 HG3 MET 24 HG3 MET 24 -11.991 7.357 -1.501 189 HE1 MET 24 HE1 MET 24 -11.878 9.334 -3.082 190 HE2 MET 24 HE2 MET 24 -11.485 9.247 -4.801 191 HE3 MET 24 HE3 MET 24 -10.233 8.948 -3.597 192 H GLY 25 H GLY 25 -7.982 5.133 -0.889 193 HA2 GLY 25 HA2 GLY 25 -5.656 4.981 -0.754 194 HA3 GLY 25 HA3 GLY 25 -5.610 6.460 0.197 195 H ARG 26 H ARG 26 -6.811 6.186 2.413 196 HA ARG 26 HA ARG 26 -5.718 4.101 3.981 197 HB2 ARG 26 HB2 ARG 26 -6.397 6.237 4.963 198 HB3 ARG 26 HB3 ARG 26 -8.072 5.967 4.498 199 HG2 ARG 26 HG2 ARG 26 -8.231 4.094 6.090 200 HG3 ARG 26 HG3 ARG 26 -6.535 4.312 6.535 201 HD2 ARG 26 HD2 ARG 26 -8.158 5.334 8.157 202 HD3 ARG 26 HD3 ARG 26 -6.991 6.479 7.486 203 HE ARG 26 HE ARG 26 -9.637 6.275 6.216 204 HH11 ARG 26 HH11 ARG 26 -7.455 8.161 8.238 205 HH12 ARG 26 HH12 ARG 26 -8.376 9.625 8.084 206 HH21 ARG 26 HH21 ARG 26 -10.810 8.214 5.985 207 HH22 ARG 26 HH22 ARG 26 -10.282 9.649 6.803 208 H ALA 27 H ALA 27 -8.956 4.584 2.553 209 HA ALA 27 HA ALA 27 -10.176 2.164 3.284 210 HB1 ALA 27 HB1 ALA 27 -11.699 2.557 1.378 211 HB2 ALA 27 HB2 ALA 27 -10.597 3.790 0.750 212 HB3 ALA 27 HB3 ALA 27 -11.417 4.044 2.291 213 H LEU 28 H LEU 28 -8.136 2.995 0.494 214 HA LEU 28 HA LEU 28 -8.291 0.558 -0.943 215 HB2 LEU 28 HB2 LEU 28 -7.217 3.092 -1.398 216 HB3 LEU 28 HB3 LEU 28 -5.765 2.129 -1.243 217 HG LEU 28 HG LEU 28 -8.002 1.730 -3.260 218 HD11 LEU 28 HD11 LEU 28 -6.316 2.368 -4.929 219 HD12 LEU 28 HD12 LEU 28 -5.141 2.658 -3.643 220 HD13 LEU 28 HD13 LEU 28 -6.597 3.653 -3.755 221 HD21 LEU 28 HD21 LEU 28 -7.107 -0.456 -2.657 222 HD22 LEU 28 HD22 LEU 28 -5.458 0.103 -2.946 223 HD23 LEU 28 HD23 LEU 28 -6.602 -0.022 -4.287 224 H TYR 29 H TYR 29 -6.213 1.737 1.602 225 HA TYR 29 HA TYR 29 -4.160 -0.204 1.584 226 HB2 TYR 29 HB2 TYR 29 -3.938 2.007 2.708 227 HB3 TYR 29 HB3 TYR 29 -5.211 1.583 3.839 228 HD1 TYR 29 HD2 TYR 29 -1.794 0.556 2.735 229 HD2 TYR 29 HD1 TYR 29 -4.634 0.559 5.923 230 HE1 TYR 29 HE2 TYR 29 -0.088 -0.316 4.255 231 HE2 TYR 29 HE1 TYR 29 -2.921 -0.324 7.452 232 HH TYR 29 HH TYR 29 0.401 -0.449 6.617 233 H ASN 30 H ASN 30 -7.274 0.091 3.300 234 HA ASN 30 HA ASN 30 -7.029 -2.161 4.993 235 HB2 ASN 30 HB2 ASN 30 -9.584 -0.871 3.955 236 HB3 ASN 30 HB3 ASN 30 -9.475 -1.956 5.340 237 HD21 ASN 30 HD21 ASN 30 -6.922 -0.700 6.300 238 HD22 ASN 30 HD22 ASN 30 -7.408 0.811 6.973 239 H ILE 31 H ILE 31 -8.305 -1.790 1.719 240 HA ILE 31 HA ILE 31 -9.341 -4.409 1.347 241 HB ILE 31 HB ILE 31 -8.146 -2.657 -0.857 242 HG12 ILE 31 HG12 ILE 31 -11.045 -2.575 0.103 243 HG13 ILE 31 HG13 ILE 31 -9.829 -1.389 0.558 244 HG21 ILE 31 HG21 ILE 31 -10.329 -4.776 -0.965 245 HG22 ILE 31 HG22 ILE 31 -8.675 -4.964 -1.549 246 HG23 ILE 31 HG23 ILE 31 -9.758 -3.817 -2.337 247 HD11 ILE 31 HD11 ILE 31 -11.247 -0.572 -1.225 248 HD12 ILE 31 HD12 ILE 31 -10.779 -1.924 -2.253 249 HD13 ILE 31 HD13 ILE 31 -9.579 -0.723 -1.769 250 H GLY 32 H GLY 32 -6.165 -2.921 0.701 251 HA2 GLY 32 HA2 GLY 32 -4.856 -5.099 -0.523 252 HA3 GLY 32 HA3 GLY 32 -4.079 -3.730 0.254 253 H LEU 33 H LEU 33 -5.159 -4.156 2.877 254 HA LEU 33 HA LEU 33 -3.377 -5.939 4.098 255 HB2 LEU 33 HB2 LEU 33 -6.046 -4.862 5.103 256 HB3 LEU 33 HB3 LEU 33 -4.941 -5.779 6.115 257 HG LEU 33 HG LEU 33 -4.281 -3.092 4.842 258 HD11 LEU 33 HD11 LEU 33 -4.499 -2.149 7.096 259 HD12 LEU 33 HD12 LEU 33 -5.039 -3.712 7.714 260 HD13 LEU 33 HD13 LEU 33 -6.023 -2.837 6.538 261 HD21 LEU 33 HD21 LEU 33 -2.309 -3.117 6.314 262 HD22 LEU 33 HD22 LEU 33 -2.284 -4.463 5.181 263 HD23 LEU 33 HD23 LEU 33 -2.730 -4.744 6.866 264 H GLU 34 H GLU 34 -6.687 -6.358 3.010 265 HA GLU 34 HA GLU 34 -7.056 -8.987 4.072 266 HB2 GLU 34 HB2 GLU 34 -8.665 -7.371 2.069 267 HB3 GLU 34 HB3 GLU 34 -9.171 -8.920 2.737 268 HG2 GLU 34 HG2 GLU 34 -8.731 -6.353 4.278 269 HG3 GLU 34 HG3 GLU 34 -10.278 -7.126 3.918 270 H LYS 35 H LYS 35 -5.932 -7.709 0.998 271 HA LYS 35 HA LYS 35 -5.899 -10.130 -0.478 272 HB2 LYS 35 HB2 LYS 35 -4.441 -7.500 -0.687 273 HB3 LYS 35 HB3 LYS 35 -3.813 -8.856 -1.610 274 HG2 LYS 35 HG2 LYS 35 -5.320 -7.354 -2.908 275 HG3 LYS 35 HG3 LYS 35 -5.825 -9.043 -2.890 276 HD2 LYS 35 HD2 LYS 35 -7.570 -8.538 -1.255 277 HD3 LYS 35 HD3 LYS 35 -7.023 -6.864 -1.144 278 HE2 LYS 35 HE2 LYS 35 -9.032 -7.085 -2.562 279 HE3 LYS 35 HE3 LYS 35 -7.657 -6.475 -3.479 280 HZ1 LYS 35 HZ1 LYS 35 -8.552 -9.304 -3.460 281 HZ2 LYS 35 HZ2 LYS 35 -7.339 -8.644 -4.431 282 HZ3 LYS 35 HZ3 LYS 35 -8.950 -8.181 -4.664 283 H ASN 36 H ASN 36 -3.591 -8.610 1.729 284 HA ASN 36 HA ASN 36 -1.549 -10.588 1.632 285 HB2 ASN 36 HB2 ASN 36 -1.257 -8.225 2.493 286 HB3 ASN 36 HB3 ASN 36 -2.182 -8.668 3.920 287 HD21 ASN 36 HD21 ASN 36 -0.463 -8.201 5.298 288 HD22 ASN 36 HD22 ASN 36 0.946 -9.194 5.408 289 H LYS 37 H LYS 37 -4.523 -10.259 3.518 290 HA LYS 37 HA LYS 37 -4.113 -12.375 5.385 291 HB2 LYS 37 HB2 LYS 37 -6.655 -11.059 4.341 292 HB3 LYS 37 HB3 LYS 37 -6.672 -12.286 5.601 293 HG2 LYS 37 HG2 LYS 37 -5.256 -9.605 5.802 294 HG3 LYS 37 HG3 LYS 37 -6.843 -9.966 6.479 295 HD2 LYS 37 HD2 LYS 37 -4.235 -11.330 7.272 296 HD3 LYS 37 HD3 LYS 37 -5.062 -10.071 8.194 297 HE2 LYS 37 HE2 LYS 37 -7.028 -11.575 8.453 298 HE3 LYS 37 HE3 LYS 37 -6.160 -12.837 7.572 299 HZ1 LYS 37 HZ1 LYS 37 -5.306 -11.629 10.141 300 HZ2 LYS 37 HZ2 LYS 37 -4.486 -12.844 9.301 301 HZ3 LYS 37 HZ3 LYS 37 -6.015 -13.150 9.952 302 H MET 38 H MET 38 -5.164 -12.312 2.044 303 HA MET 38 HA MET 38 -6.064 -15.097 2.029 304 HB2 MET 38 HB2 MET 38 -5.687 -13.138 -0.280 305 HB3 MET 38 HB3 MET 38 -6.398 -14.741 -0.420 306 HG2 MET 38 HG2 MET 38 -8.226 -14.023 1.103 307 HG3 MET 38 HG3 MET 38 -7.538 -12.400 1.115 308 HE1 MET 38 HE1 MET 38 -6.544 -12.116 -1.947 309 HE2 MET 38 HE2 MET 38 -7.403 -10.838 -1.088 310 HE3 MET 38 HE3 MET 38 -7.966 -11.367 -2.672 311 H GLY 39 H GLY 39 -3.064 -13.695 2.095 312 HA2 GLY 39 HA2 GLY 39 -0.971 -14.596 1.720 313 HA3 GLY 39 HA3 GLY 39 -1.695 -15.982 0.918 314 H LYS 40 H LYS 40 -3.115 -13.371 -0.500 315 HA LYS 40 HA LYS 40 -1.363 -13.369 -2.832 316 HB2 LYS 40 HB2 LYS 40 -4.022 -11.954 -2.306 317 HB3 LYS 40 HB3 LYS 40 -3.149 -11.917 -3.837 318 HG2 LYS 40 HG2 LYS 40 -3.418 -14.352 -4.067 319 HG3 LYS 40 HG3 LYS 40 -4.277 -14.410 -2.522 320 HD2 LYS 40 HD2 LYS 40 -6.055 -12.954 -3.473 321 HD3 LYS 40 HD3 LYS 40 -5.199 -12.913 -5.013 322 HE2 LYS 40 HE2 LYS 40 -5.517 -15.342 -5.253 323 HE3 LYS 40 HE3 LYS 40 -6.347 -15.396 -3.697 324 HZ1 LYS 40 HZ1 LYS 40 -7.260 -13.901 -6.089 325 HZ2 LYS 40 HZ2 LYS 40 -8.053 -13.964 -4.601 326 HZ3 LYS 40 HZ3 LYS 40 -7.895 -15.364 -5.530 327 H ALA 41 H ALA 41 0.328 -12.514 -1.369 328 HA ALA 41 HA ALA 41 0.240 -9.879 -0.288 329 HB1 ALA 41 HB1 ALA 41 2.601 -10.269 0.235 330 HB2 ALA 41 HB2 ALA 41 2.613 -11.705 -0.794 331 HB3 ALA 41 HB3 ALA 41 1.624 -11.673 0.667 332 H ARG 42 H ARG 42 0.901 -11.125 -3.442 333 HA ARG 42 HA ARG 42 2.411 -8.924 -4.466 334 HB2 ARG 42 HB2 ARG 42 2.058 -11.374 -5.445 335 HB3 ARG 42 HB3 ARG 42 0.660 -10.666 -6.238 336 HG2 ARG 42 HG2 ARG 42 3.485 -9.596 -6.528 337 HG3 ARG 42 HG3 ARG 42 2.787 -10.788 -7.614 338 HD2 ARG 42 HD2 ARG 42 1.722 -7.970 -7.199 339 HD3 ARG 42 HD3 ARG 42 2.746 -8.499 -8.544 340 HE ARG 42 HE ARG 42 0.375 -10.078 -8.238 341 HH11 ARG 42 HH11 ARG 42 1.585 -7.110 -9.711 342 HH12 ARG 42 HH12 ARG 42 0.338 -7.081 -10.913 343 HH21 ARG 42 HH21 ARG 42 -1.246 -9.997 -9.794 344 HH22 ARG 42 HH22 ARG 42 -1.258 -8.716 -10.962 345 H GLU 43 H GLU 43 -1.035 -9.886 -4.684 346 HA GLU 43 HA GLU 43 -2.056 -7.493 -5.761 347 HB2 GLU 43 HB2 GLU 43 -3.350 -9.626 -4.032 348 HB3 GLU 43 HB3 GLU 43 -4.243 -8.212 -4.582 349 HG2 GLU 43 HG2 GLU 43 -3.757 -8.866 -6.934 350 HG3 GLU 43 HG3 GLU 43 -2.993 -10.338 -6.330 351 H ALA 44 H ALA 44 -1.308 -8.420 -2.425 352 HA ALA 44 HA ALA 44 -2.471 -6.268 -1.035 353 HB1 ALA 44 HB1 ALA 44 -0.889 -6.782 0.772 354 HB2 ALA 44 HB2 ALA 44 0.073 -7.777 -0.324 355 HB3 ALA 44 HB3 ALA 44 -1.566 -8.270 0.104 356 H ALA 45 H ALA 45 0.810 -6.726 -2.322 357 HA ALA 45 HA ALA 45 1.941 -4.258 -1.725 358 HB1 ALA 45 HB1 ALA 45 3.242 -6.208 -2.459 359 HB2 ALA 45 HB2 ALA 45 3.591 -4.809 -3.473 360 HB3 ALA 45 HB3 ALA 45 2.538 -6.091 -4.077 361 H GLU 46 H GLU 46 0.109 -5.305 -4.599 362 HA GLU 46 HA GLU 46 0.343 -3.092 -6.252 363 HB2 GLU 46 HB2 GLU 46 -2.053 -4.932 -5.864 364 HB3 GLU 46 HB3 GLU 46 -1.915 -3.778 -7.183 365 HG2 GLU 46 HG2 GLU 46 -0.122 -6.165 -6.691 366 HG3 GLU 46 HG3 GLU 46 -1.379 -6.044 -7.917 367 H TYR 47 H TYR 47 -2.095 -3.748 -3.765 368 HA TYR 47 HA TYR 47 -3.561 -1.325 -4.163 369 HB2 TYR 47 HB2 TYR 47 -3.744 -3.554 -2.096 370 HB3 TYR 47 HB3 TYR 47 -4.791 -2.136 -2.037 371 HD1 TYR 47 HD2 TYR 47 -3.657 -4.245 -4.967 372 HD2 TYR 47 HD1 TYR 47 -6.962 -2.856 -2.650 373 HE1 TYR 47 HE2 TYR 47 -5.194 -5.321 -6.537 374 HE2 TYR 47 HE1 TYR 47 -8.500 -3.933 -4.232 375 HH TYR 47 HH TYR 47 -8.466 -4.677 -6.639 376 H PHE 48 H PHE 48 -0.952 -2.285 -1.976 377 HA PHE 48 HA PHE 48 -1.156 -0.047 -0.186 378 HB2 PHE 48 HB2 PHE 48 1.224 -1.871 -0.770 379 HB3 PHE 48 HB3 PHE 48 1.183 -0.673 0.524 380 HD1 PHE 48 HD1 PHE 48 -1.738 -1.160 1.374 381 HD2 PHE 48 HD2 PHE 48 1.521 -3.831 0.611 382 HE1 PHE 48 HE1 PHE 48 -2.714 -2.781 2.912 383 HE2 PHE 48 HE2 PHE 48 0.518 -5.471 2.152 384 HZ PHE 48 HZ PHE 48 -1.597 -4.953 3.303 385 H PHE 49 H PHE 49 0.506 -0.683 -3.206 386 HA PHE 49 HA PHE 49 2.121 1.650 -3.324 387 HB2 PHE 49 HB2 PHE 49 2.602 -0.248 -4.774 388 HB3 PHE 49 HB3 PHE 49 1.001 -0.169 -5.503 389 HD1 PHE 49 HD2 PHE 49 4.021 2.009 -5.004 390 HD2 PHE 49 HD1 PHE 49 0.835 0.883 -7.628 391 HE1 PHE 49 HE2 PHE 49 4.906 3.462 -6.754 392 HE2 PHE 49 HE1 PHE 49 1.760 2.352 -9.369 393 HZ PHE 49 HZ PHE 49 3.819 3.644 -8.925 394 H ARG 50 H ARG 50 -1.054 0.830 -4.693 395 HA ARG 50 HA ARG 50 -1.597 3.321 -5.941 396 HB2 ARG 50 HB2 ARG 50 -3.532 1.157 -5.001 397 HB3 ARG 50 HB3 ARG 50 -3.913 2.432 -6.159 398 HG2 ARG 50 HG2 ARG 50 -2.446 1.510 -7.812 399 HG3 ARG 50 HG3 ARG 50 -1.695 0.422 -6.645 400 HD2 ARG 50 HD2 ARG 50 -4.036 -0.669 -6.428 401 HD3 ARG 50 HD3 ARG 50 -4.442 0.219 -7.903 402 HE ARG 50 HE ARG 50 -2.025 -1.163 -8.303 403 HH11 ARG 50 HH11 ARG 50 -5.449 -1.909 -7.922 404 HH12 ARG 50 HH12 ARG 50 -5.344 -3.382 -8.830 405 HH21 ARG 50 HH21 ARG 50 -1.896 -3.127 -9.408 406 HH22 ARG 50 HH22 ARG 50 -3.331 -4.063 -9.670 407 H ALA 51 H ALA 51 -2.205 2.042 -2.715 408 HA ALA 51 HA ALA 51 -3.788 4.147 -1.655 409 HB1 ALA 51 HB1 ALA 51 -3.593 1.968 -0.529 410 HB2 ALA 51 HB2 ALA 51 -3.097 3.269 0.555 411 HB3 ALA 51 HB3 ALA 51 -1.877 2.255 -0.227 412 H ALA 52 H ALA 52 -0.266 3.525 -1.731 413 HA ALA 52 HA ALA 52 0.627 5.745 -0.254 414 HB1 ALA 52 HB1 ALA 52 2.841 5.286 -1.213 415 HB2 ALA 52 HB2 ALA 52 2.115 4.238 -2.436 416 HB3 ALA 52 HB3 ALA 52 2.047 3.784 -0.733 417 H ILE 53 H ILE 53 -0.135 5.376 -3.692 418 HA ILE 53 HA ILE 53 0.754 7.840 -4.710 419 HB ILE 53 HB ILE 53 -1.652 6.148 -5.567 420 HG12 ILE 53 HG12 ILE 53 1.184 6.297 -6.686 421 HG13 ILE 53 HG13 ILE 53 0.527 4.976 -5.732 422 HG21 ILE 53 HG21 ILE 53 -1.952 8.447 -6.406 423 HG22 ILE 53 HG22 ILE 53 -1.583 7.353 -7.739 424 HG23 ILE 53 HG23 ILE 53 -0.329 8.420 -7.104 425 HD11 ILE 53 HD11 ILE 53 0.619 4.385 -8.054 426 HD12 ILE 53 HD12 ILE 53 -0.351 5.786 -8.496 427 HD13 ILE 53 HD13 ILE 53 -1.061 4.487 -7.533 428 H VAL 54 H VAL 54 -2.417 6.929 -3.305 429 HA VAL 54 HA VAL 54 -3.717 9.414 -3.558 430 HB VAL 54 HB VAL 54 -4.200 7.257 -1.448 431 HG11 VAL 54 HG11 VAL 54 -6.488 8.234 -1.268 432 HG12 VAL 54 HG12 VAL 54 -6.001 9.542 -2.349 433 HG13 VAL 54 HG13 VAL 54 -5.237 9.374 -0.768 434 HG21 VAL 54 HG21 VAL 54 -5.517 7.664 -4.166 435 HG22 VAL 54 HG22 VAL 54 -5.972 6.434 -2.983 436 HG23 VAL 54 HG23 VAL 54 -4.383 6.380 -3.749 437 H PHE 55 H PHE 55 -1.846 8.030 -0.873 438 HA PHE 55 HA PHE 55 -2.108 10.155 0.972 439 HB2 PHE 55 HB2 PHE 55 0.100 8.072 0.718 440 HB3 PHE 55 HB3 PHE 55 -0.094 9.152 2.098 441 HD1 PHE 55 HD1 PHE 55 -2.882 9.120 2.783 442 HD2 PHE 55 HD2 PHE 55 -0.475 5.882 1.338 443 HE1 PHE 55 HE1 PHE 55 -4.350 7.500 3.916 444 HE2 PHE 55 HE2 PHE 55 -1.954 4.282 2.470 445 HZ PHE 55 HZ PHE 55 -3.885 5.089 3.758 446 H TYR 56 H TYR 56 0.140 9.573 -1.676 447 HA TYR 56 HA TYR 56 2.000 11.630 -1.000 448 HB2 TYR 56 HB2 TYR 56 2.750 9.781 -2.405 449 HB3 TYR 56 HB3 TYR 56 1.526 10.142 -3.626 450 HD1 TYR 56 HD2 TYR 56 4.492 11.673 -1.900 451 HD2 TYR 56 HD1 TYR 56 2.095 11.594 -5.439 452 HE1 TYR 56 HE2 TYR 56 6.023 13.243 -2.979 453 HE2 TYR 56 HE1 TYR 56 3.601 13.178 -6.496 454 HH TYR 56 HH TYR 56 5.206 14.919 -5.813 455 H LYS 57 H LYS 57 -0.795 11.498 -3.273 456 HA LYS 57 HA LYS 57 -0.704 14.040 -4.364 457 HB2 LYS 57 HB2 LYS 57 -2.887 12.059 -3.882 458 HB3 LYS 57 HB3 LYS 57 -3.458 13.711 -4.020 459 HG2 LYS 57 HG2 LYS 57 -3.647 12.998 -6.201 460 HG3 LYS 57 HG3 LYS 57 -2.052 13.741 -6.242 461 HD2 LYS 57 HD2 LYS 57 -2.460 10.767 -5.800 462 HD3 LYS 57 HD3 LYS 57 -2.343 11.464 -7.410 463 HE2 LYS 57 HE2 LYS 57 -0.166 11.706 -5.304 464 HE3 LYS 57 HE3 LYS 57 -0.213 10.458 -6.545 465 HZ1 LYS 57 HZ1 LYS 57 -0.125 13.365 -7.082 466 HZ2 LYS 57 HZ2 LYS 57 -0.072 12.131 -8.231 467 HZ3 LYS 57 HZ3 LYS 57 1.202 12.323 -7.141 468 H GLU 58 H GLU 58 -2.127 13.027 -1.300 469 HA GLU 58 HA GLU 58 -2.787 15.721 -0.463 470 HB2 GLU 58 HB2 GLU 58 -3.183 12.958 0.705 471 HB3 GLU 58 HB3 GLU 58 -3.294 14.347 1.778 472 HG2 GLU 58 HG2 GLU 58 -5.502 13.595 0.941 473 HG3 GLU 58 HG3 GLU 58 -5.140 15.271 0.544 474 H HIS 59 H HIS 59 0.031 13.908 -0.459 475 HA HIS 59 HA HIS 59 2.081 14.077 0.424 476 HB2 HIS 59 HB2 HIS 59 1.118 16.910 0.941 477 HB3 HIS 59 HB3 HIS 59 2.776 16.416 1.258 478 HD1 HIS 59 HD1 HIS 59 4.326 16.119 -0.718 479 HD2 HIS 59 HD2 HIS 59 0.435 16.994 -1.838 480 HE1 HIS 59 HE1 HIS 59 4.428 16.586 -3.173 481 HE2 HIS 59 HE2 HIS 59 2.033 16.957 -3.843 482 H ASP 60 H ASP 60 -0.025 13.042 2.044 483 HA ASP 60 HA ASP 60 0.466 13.686 4.818 484 HB2 ASP 60 HB2 ASP 60 -1.786 12.949 3.891 485 HB3 ASP 60 HB3 ASP 60 -1.098 11.357 3.582 486 H THR 61 H THR 61 2.508 13.184 5.408 487 HA THR 61 HA THR 61 4.154 11.217 4.282 488 HB THR 61 HB THR 61 5.668 11.667 6.299 489 HG1 THR 61 HG1 THR 61 4.787 12.583 7.965 490 HG21 THR 61 HG21 THR 61 6.163 14.002 5.654 491 HG22 THR 61 HG22 THR 61 4.634 14.080 4.774 492 HG23 THR 61 HG23 THR 61 5.903 12.967 4.248 493 H ASP 62 H ASP 62 2.136 11.123 7.223 494 HA ASP 62 HA ASP 62 3.308 8.795 8.355 495 HB2 ASP 62 HB2 ASP 62 0.584 10.077 8.830 496 HB3 ASP 62 HB3 ASP 62 1.148 8.682 9.739 497 H GLY 63 H GLY 63 0.540 9.242 6.186 498 HA2 GLY 63 HA2 GLY 63 -0.307 6.503 6.146 499 HA3 GLY 63 HA3 GLY 63 -0.781 7.772 5.026 500 H LEU 64 H LEU 64 1.578 8.551 3.946 501 HA LEU 64 HA LEU 64 2.188 6.725 1.905 502 HB2 LEU 64 HB2 LEU 64 2.494 9.169 1.762 503 HB3 LEU 64 HB3 LEU 64 3.730 9.109 3.003 504 HG LEU 64 HG LEU 64 5.197 7.799 1.408 505 HD11 LEU 64 HD11 LEU 64 4.661 7.768 -0.973 506 HD12 LEU 64 HD12 LEU 64 3.073 8.466 -0.645 507 HD13 LEU 64 HD13 LEU 64 3.475 6.852 -0.043 508 HD21 LEU 64 HD21 LEU 64 4.308 10.527 0.429 509 HD22 LEU 64 HD22 LEU 64 5.834 9.727 0.051 510 HD23 LEU 64 HD23 LEU 64 5.488 10.211 1.707 511 H ARG 65 H ARG 65 3.705 7.395 4.965 512 HA ARG 65 HA ARG 65 6.078 5.850 4.822 513 HB2 ARG 65 HB2 ARG 65 5.861 7.639 6.423 514 HB3 ARG 65 HB3 ARG 65 4.370 6.978 7.067 515 HG2 ARG 65 HG2 ARG 65 5.701 5.099 8.079 516 HG3 ARG 65 HG3 ARG 65 7.175 5.909 7.523 517 HD2 ARG 65 HD2 ARG 65 6.598 7.911 8.836 518 HD3 ARG 65 HD3 ARG 65 5.080 7.163 9.340 519 HE ARG 65 HE ARG 65 7.380 5.628 10.105 520 HH11 ARG 65 HH11 ARG 65 5.377 8.390 11.011 521 HH12 ARG 65 HH12 ARG 65 5.797 8.292 12.692 522 HH21 ARG 65 HH21 ARG 65 7.932 5.552 12.326 523 HH22 ARG 65 HH22 ARG 65 7.239 6.691 13.433 524 H ARG 66 H ARG 66 2.874 5.223 6.288 525 HA ARG 66 HA ARG 66 3.430 2.617 7.246 526 HB2 ARG 66 HB2 ARG 66 1.586 4.065 8.077 527 HB3 ARG 66 HB3 ARG 66 0.740 3.869 6.543 528 HG2 ARG 66 HG2 ARG 66 0.473 1.455 6.974 529 HG3 ARG 66 HG3 ARG 66 1.400 1.602 8.469 530 HD2 ARG 66 HD2 ARG 66 -1.296 2.877 7.890 531 HD3 ARG 66 HD3 ARG 66 -0.994 1.503 8.959 532 HE ARG 66 HE ARG 66 0.517 3.208 10.188 533 HH11 ARG 66 HH11 ARG 66 -2.584 3.977 8.727 534 HH12 ARG 66 HH12 ARG 66 -2.905 5.286 9.816 535 HH21 ARG 66 HH21 ARG 66 0.123 4.939 11.562 536 HH22 ARG 66 HH22 ARG 66 -1.360 5.834 11.436 537 H ALA 67 H ALA 67 2.029 3.795 4.210 538 HA ALA 67 HA ALA 67 1.315 1.265 3.115 539 HB1 ALA 67 HB1 ALA 67 1.843 3.905 1.704 540 HB2 ALA 67 HB2 ALA 67 0.293 3.368 2.355 541 HB3 ALA 67 HB3 ALA 67 1.030 2.502 1.006 542 H ALA 68 H ALA 68 4.251 3.233 3.064 543 HA ALA 68 HA ALA 68 5.696 1.756 1.090 544 HB1 ALA 68 HB1 ALA 68 7.667 3.001 1.901 545 HB2 ALA 68 HB2 ALA 68 6.739 3.576 3.291 546 HB3 ALA 68 HB3 ALA 68 6.284 4.073 1.661 547 H LYS 69 H LYS 69 5.601 1.660 4.649 548 HA LYS 69 HA LYS 69 7.568 -0.351 5.073 549 HB2 LYS 69 HB2 LYS 69 5.222 0.516 6.820 550 HB3 LYS 69 HB3 LYS 69 6.520 -0.552 7.351 551 HG2 LYS 69 HG2 LYS 69 8.169 1.255 6.976 552 HG3 LYS 69 HG3 LYS 69 6.874 2.318 6.440 553 HD2 LYS 69 HD2 LYS 69 7.304 2.965 8.675 554 HD3 LYS 69 HD3 LYS 69 5.832 1.996 8.769 555 HE2 LYS 69 HE2 LYS 69 8.595 0.868 9.294 556 HE3 LYS 69 HE3 LYS 69 7.586 1.559 10.562 557 HZ1 LYS 69 HZ1 LYS 69 7.364 -0.810 10.526 558 HZ2 LYS 69 HZ2 LYS 69 6.947 -0.807 8.892 559 HZ3 LYS 69 HZ3 LYS 69 5.902 -0.120 10.027 560 H SER 70 H SER 70 4.083 -0.389 4.598 561 HA SER 70 HA SER 70 3.615 -3.148 5.090 562 HB2 SER 70 HB2 SER 70 1.910 -1.242 5.185 563 HB3 SER 70 HB3 SER 70 1.875 -1.282 3.422 564 HG SER 70 HG SER 70 1.485 -3.625 4.933 565 H LEU 71 H LEU 71 4.388 -1.219 2.221 566 HA LEU 71 HA LEU 71 4.148 -3.185 0.229 567 HB2 LEU 71 HB2 LEU 71 5.565 -0.565 0.471 568 HB3 LEU 71 HB3 LEU 71 6.216 -1.646 -0.749 569 HG LEU 71 HG LEU 71 3.258 -0.949 -0.675 570 HD11 LEU 71 HD11 LEU 71 3.639 0.743 -2.355 571 HD12 LEU 71 HD12 LEU 71 5.386 0.492 -2.254 572 HD13 LEU 71 HD13 LEU 71 4.499 1.140 -0.871 573 HD21 LEU 71 HD21 LEU 71 3.331 -1.637 -3.032 574 HD22 LEU 71 HD22 LEU 71 3.864 -2.936 -1.968 575 HD23 LEU 71 HD23 LEU 71 5.055 -2.005 -2.883 576 H LYS 72 H LYS 72 6.865 -2.350 2.389 577 HA LYS 72 HA LYS 72 8.812 -4.067 1.289 578 HB2 LYS 72 HB2 LYS 72 8.543 -3.223 4.210 579 HB3 LYS 72 HB3 LYS 72 9.997 -3.891 3.471 580 HG2 LYS 72 HG2 LYS 72 8.691 -1.235 2.815 581 HG3 LYS 72 HG3 LYS 72 10.199 -1.469 3.702 582 HD2 LYS 72 HD2 LYS 72 11.273 -2.385 1.671 583 HD3 LYS 72 HD3 LYS 72 9.751 -2.255 0.784 584 HE2 LYS 72 HE2 LYS 72 11.380 0.063 1.893 585 HE3 LYS 72 HE3 LYS 72 11.224 -0.398 0.194 586 HZ1 LYS 72 HZ1 LYS 72 8.851 0.100 0.316 587 HZ2 LYS 72 HZ2 LYS 72 9.777 1.450 0.738 588 HZ3 LYS 72 HZ3 LYS 72 9.008 0.549 1.945 589 H GLU 73 H GLU 73 6.400 -4.610 3.855 590 HA GLU 73 HA GLU 73 7.180 -7.268 4.518 591 HB2 GLU 73 HB2 GLU 73 4.418 -6.018 4.893 592 HB3 GLU 73 HB3 GLU 73 5.061 -7.417 5.751 593 HG2 GLU 73 HG2 GLU 73 5.921 -4.532 5.994 594 HG3 GLU 73 HG3 GLU 73 5.165 -5.528 7.231 595 H ALA 74 H ALA 74 4.677 -5.944 2.380 596 HA ALA 74 HA ALA 74 3.342 -8.317 1.707 597 HB1 ALA 74 HB1 ALA 74 2.370 -7.032 -0.159 598 HB2 ALA 74 HB2 ALA 74 3.584 -5.768 0.059 599 HB3 ALA 74 HB3 ALA 74 2.390 -6.070 1.323 600 H ILE 75 H ILE 75 6.039 -6.628 0.079 601 HA ILE 75 HA ILE 75 6.036 -8.403 -2.171 602 HB ILE 75 HB ILE 75 8.170 -6.358 -1.464 603 HG12 ILE 75 HG12 ILE 75 5.826 -5.980 -3.398 604 HG13 ILE 75 HG13 ILE 75 5.742 -5.484 -1.713 605 HG21 ILE 75 HG21 ILE 75 8.720 -6.451 -3.877 606 HG22 ILE 75 HG22 ILE 75 7.486 -7.685 -4.127 607 HG23 ILE 75 HG23 ILE 75 8.906 -8.044 -3.141 608 HD11 ILE 75 HD11 ILE 75 7.718 -4.444 -3.732 609 HD12 ILE 75 HD12 ILE 75 7.585 -3.949 -2.041 610 HD13 ILE 75 HD13 ILE 75 6.266 -3.622 -3.162 611 H THR 76 H THR 76 7.923 -8.225 0.796 612 HA THR 76 HA THR 76 9.713 -10.370 0.053 613 HB THR 76 HB THR 76 10.354 -10.356 2.480 614 HG1 THR 76 HG1 THR 76 9.044 -8.077 3.144 615 HG21 THR 76 HG21 THR 76 11.521 -8.825 0.913 616 HG22 THR 76 HG22 THR 76 11.352 -8.090 2.508 617 HG23 THR 76 HG23 THR 76 10.286 -7.593 1.193 618 H ALA 77 H ALA 77 6.455 -10.193 1.168 619 HA ALA 77 HA ALA 77 6.357 -12.936 2.178 620 HB1 ALA 77 HB1 ALA 77 3.978 -12.467 2.600 621 HB2 ALA 77 HB2 ALA 77 4.132 -10.898 1.801 622 HB3 ALA 77 HB3 ALA 77 5.007 -11.219 3.299 623 H ILE 78 H ILE 78 5.909 -11.260 -0.845 624 HA ILE 78 HA ILE 78 4.194 -13.057 -2.221 625 HB ILE 78 HB ILE 78 6.543 -11.534 -3.467 626 HG12 ILE 78 HG12 ILE 78 3.652 -10.587 -3.250 627 HG13 ILE 78 HG13 ILE 78 4.966 -10.014 -2.233 628 HG21 ILE 78 HG21 ILE 78 5.260 -11.703 -5.592 629 HG22 ILE 78 HG22 ILE 78 4.009 -12.638 -4.769 630 HG23 ILE 78 HG23 ILE 78 5.635 -13.301 -4.944 631 HD11 ILE 78 HD11 ILE 78 4.829 -9.681 -5.229 632 HD12 ILE 78 HD12 ILE 78 6.096 -9.056 -4.161 633 HD13 ILE 78 HD13 ILE 78 4.444 -8.455 -4.027 634 HA PRO 79 HA PRO 79 6.988 -16.665 -1.776 635 HB2 PRO 79 HB2 PRO 79 5.108 -17.816 -3.847 636 HB3 PRO 79 HB3 PRO 79 5.632 -18.506 -2.293 637 HG2 PRO 79 HG2 PRO 79 3.198 -17.490 -2.499 638 HG3 PRO 79 HG3 PRO 79 4.169 -17.166 -1.043 639 HD2 PRO 79 HD2 PRO 79 3.655 -15.361 -3.404 640 HD3 PRO 79 HD3 PRO 79 3.648 -14.974 -1.667 641 H GLU 80 H GLU 80 5.891 -16.988 -5.166 642 HA GLU 80 HA GLU 80 7.956 -15.766 -6.544 643 HB2 GLU 80 HB2 GLU 80 9.496 -17.323 -5.342 644 HB3 GLU 80 HB3 GLU 80 8.609 -18.709 -5.958 645 HG2 GLU 80 HG2 GLU 80 9.325 -18.167 -8.248 646 HG3 GLU 80 HG3 GLU 80 10.153 -16.720 -7.662 647 H GLU 81 H GLU 81 6.053 -15.436 -7.848 648 HA GLU 81 HA GLU 81 5.920 -16.978 -10.166 649 HB2 GLU 81 HB2 GLU 81 4.700 -18.647 -8.699 650 HB3 GLU 81 HB3 GLU 81 3.453 -17.440 -8.419 651 HG2 GLU 81 HG2 GLU 81 3.036 -17.418 -10.923 652 HG3 GLU 81 HG3 GLU 81 4.150 -18.781 -11.052 653 H GLU 82 H GLU 82 3.880 -15.015 -8.006 654 HA GLU 82 HA GLU 82 2.079 -14.196 -10.069 655 HB2 GLU 82 HB2 GLU 82 2.340 -12.882 -7.333 656 HB3 GLU 82 HB3 GLU 82 0.935 -12.896 -8.389 657 HG2 GLU 82 HG2 GLU 82 0.364 -14.422 -6.704 658 HG3 GLU 82 HG3 GLU 82 0.911 -15.458 -8.023 659 H GLY 83 H GLY 83 4.955 -12.783 -8.673 660 HA2 GLY 83 HA2 GLY 83 6.159 -11.407 -10.399 661 HA3 GLY 83 HA3 GLY 83 4.712 -10.408 -10.463 662 H ARG 84 H ARG 84 7.131 -11.661 -8.137 663 HA ARG 84 HA ARG 84 6.735 -9.480 -6.292 664 HB2 ARG 84 HB2 ARG 84 8.659 -10.375 -5.049 665 HB3 ARG 84 HB3 ARG 84 7.487 -11.631 -5.414 666 HG2 ARG 84 HG2 ARG 84 8.888 -12.532 -7.160 667 HG3 ARG 84 HG3 ARG 84 10.030 -11.197 -7.002 668 HD2 ARG 84 HD2 ARG 84 10.591 -11.952 -4.720 669 HD3 ARG 84 HD3 ARG 84 9.444 -13.289 -4.876 670 HE ARG 84 HE ARG 84 11.664 -13.015 -6.797 671 HH11 ARG 84 HH11 ARG 84 10.180 -14.875 -4.212 672 HH12 ARG 84 HH12 ARG 84 11.194 -16.251 -4.482 673 HH21 ARG 84 HH21 ARG 84 12.969 -14.818 -7.122 674 HH22 ARG 84 HH22 ARG 84 12.775 -16.227 -6.126 675 H LYS 85 H LYS 85 8.660 -9.974 -9.130 676 HA LYS 85 HA LYS 85 10.740 -8.082 -8.517 677 HB2 LYS 85 HB2 LYS 85 10.746 -10.109 -10.232 678 HB3 LYS 85 HB3 LYS 85 10.010 -8.973 -11.350 679 HG2 LYS 85 HG2 LYS 85 12.680 -8.522 -9.977 680 HG3 LYS 85 HG3 LYS 85 12.515 -9.251 -11.573 681 HD2 LYS 85 HD2 LYS 85 11.537 -7.157 -12.445 682 HD3 LYS 85 HD3 LYS 85 11.605 -6.436 -10.836 683 HE2 LYS 85 HE2 LYS 85 14.088 -6.641 -10.888 684 HE3 LYS 85 HE3 LYS 85 13.978 -7.272 -12.534 685 HZ1 LYS 85 HZ1 LYS 85 12.931 -5.200 -13.206 686 HZ2 LYS 85 HZ2 LYS 85 14.457 -4.920 -12.532 687 HZ3 LYS 85 HZ3 LYS 85 13.062 -4.598 -11.631 688 H GLU 86 H GLU 86 7.849 -8.071 -10.622 689 HA GLU 86 HA GLU 86 7.958 -5.361 -11.426 690 HB2 GLU 86 HB2 GLU 86 5.648 -5.661 -12.200 691 HB3 GLU 86 HB3 GLU 86 6.618 -7.063 -12.633 692 HG2 GLU 86 HG2 GLU 86 5.647 -8.326 -10.740 693 HG3 GLU 86 HG3 GLU 86 4.685 -6.919 -10.294 694 H ALA 87 H ALA 87 6.513 -6.989 -8.631 695 HA ALA 87 HA ALA 87 5.116 -4.707 -7.609 696 HB1 ALA 87 HB1 ALA 87 4.401 -6.984 -7.059 697 HB2 ALA 87 HB2 ALA 87 4.779 -6.078 -5.593 698 HB3 ALA 87 HB3 ALA 87 5.919 -7.278 -6.210 699 H LYS 88 H LYS 88 8.342 -6.067 -7.220 700 HA LYS 88 HA LYS 88 9.166 -4.791 -4.868 701 HB2 LYS 88 HB2 LYS 88 10.438 -6.662 -5.868 702 HB3 LYS 88 HB3 LYS 88 10.853 -5.675 -7.261 703 HG2 LYS 88 HG2 LYS 88 12.782 -5.843 -5.798 704 HG3 LYS 88 HG3 LYS 88 12.193 -4.183 -5.791 705 HD2 LYS 88 HD2 LYS 88 12.837 -4.866 -3.540 706 HD3 LYS 88 HD3 LYS 88 11.097 -4.580 -3.603 707 HE2 LYS 88 HE2 LYS 88 11.659 -6.592 -2.287 708 HE3 LYS 88 HE3 LYS 88 10.697 -7.005 -3.701 709 HZ1 LYS 88 HZ1 LYS 88 12.463 -8.570 -3.434 710 HZ2 LYS 88 HZ2 LYS 88 13.624 -7.342 -3.392 711 HZ3 LYS 88 HZ3 LYS 88 12.770 -7.647 -4.818 712 H GLU 89 H GLU 89 9.188 -3.779 -8.246 713 HA GLU 89 HA GLU 89 10.723 -1.459 -8.219 714 HB2 GLU 89 HB2 GLU 89 8.181 -1.932 -9.838 715 HB3 GLU 89 HB3 GLU 89 9.466 -0.796 -10.242 716 HG2 GLU 89 HG2 GLU 89 9.619 -3.824 -10.246 717 HG3 GLU 89 HG3 GLU 89 9.636 -2.761 -11.649 718 H MET 90 H MET 90 7.461 -1.983 -7.125 719 HA MET 90 HA MET 90 6.604 0.739 -6.927 720 HB2 MET 90 HB2 MET 90 5.471 -1.767 -5.647 721 HB3 MET 90 HB3 MET 90 4.643 -0.221 -5.773 722 HG2 MET 90 HG2 MET 90 4.815 -0.432 -8.286 723 HG3 MET 90 HG3 MET 90 5.411 -2.075 -8.041 724 HE1 MET 90 HE1 MET 90 2.267 -3.643 -6.179 725 HE2 MET 90 HE2 MET 90 3.512 -2.715 -5.348 726 HE3 MET 90 HE3 MET 90 3.958 -3.880 -6.593 727 H ALA 91 H ALA 91 8.105 -1.579 -4.695 728 HA ALA 91 HA ALA 91 7.873 -0.159 -2.270 729 HB1 ALA 91 HB1 ALA 91 8.688 -2.471 -2.316 730 HB2 ALA 91 HB2 ALA 91 9.864 -1.436 -1.512 731 HB3 ALA 91 HB3 ALA 91 10.145 -1.971 -3.170 732 H LYS 92 H LYS 92 10.227 0.053 -4.932 733 HA LYS 92 HA LYS 92 12.002 1.944 -3.766 734 HB2 LYS 92 HB2 LYS 92 11.487 1.194 -6.676 735 HB3 LYS 92 HB3 LYS 92 12.621 2.466 -6.244 736 HG2 LYS 92 HG2 LYS 92 13.907 0.498 -6.608 737 HG3 LYS 92 HG3 LYS 92 13.890 0.788 -4.869 738 HD2 LYS 92 HD2 LYS 92 12.087 -0.947 -4.642 739 HD3 LYS 92 HD3 LYS 92 12.218 -1.260 -6.374 740 HE2 LYS 92 HE2 LYS 92 14.446 -1.662 -4.345 741 HE3 LYS 92 HE3 LYS 92 13.443 -2.934 -5.034 742 HZ1 LYS 92 HZ1 LYS 92 15.290 -1.178 -6.551 743 HZ2 LYS 92 HZ2 LYS 92 14.316 -2.384 -7.221 744 HZ3 LYS 92 HZ3 LYS 92 15.560 -2.799 -6.153 745 H LYS 93 H LYS 93 9.120 2.259 -5.828 746 HA LYS 93 HA LYS 93 9.107 5.040 -6.269 747 HB2 LYS 93 HB2 LYS 93 6.939 2.924 -6.212 748 HB3 LYS 93 HB3 LYS 93 6.493 4.614 -6.423 749 HG2 LYS 93 HG2 LYS 93 8.491 3.216 -8.215 750 HG3 LYS 93 HG3 LYS 93 6.755 3.254 -8.542 751 HD2 LYS 93 HD2 LYS 93 6.796 5.723 -8.603 752 HD3 LYS 93 HD3 LYS 93 8.516 5.720 -8.229 753 HE2 LYS 93 HE2 LYS 93 8.143 6.102 -10.619 754 HE3 LYS 93 HE3 LYS 93 8.970 4.565 -10.371 755 HZ1 LYS 93 HZ1 LYS 93 6.072 4.922 -10.879 756 HZ2 LYS 93 HZ2 LYS 93 6.837 3.442 -10.609 757 HZ3 LYS 93 HZ3 LYS 93 7.209 4.344 -11.991 758 H ALA 94 H ALA 94 7.635 3.121 -3.700 759 HA ALA 94 HA ALA 94 6.365 5.139 -2.237 760 HB1 ALA 94 HB1 ALA 94 6.328 3.522 -0.396 761 HB2 ALA 94 HB2 ALA 94 7.533 2.529 -1.220 762 HB3 ALA 94 HB3 ALA 94 5.931 2.740 -1.925 763 H GLU 95 H GLU 95 9.677 3.970 -2.200 764 HA GLU 95 HA GLU 95 10.557 5.542 0.030 765 HB2 GLU 95 HB2 GLU 95 12.145 4.126 -2.151 766 HB3 GLU 95 HB3 GLU 95 12.834 4.838 -0.699 767 HG2 GLU 95 HG2 GLU 95 10.922 2.488 -0.791 768 HG3 GLU 95 HG3 GLU 95 12.657 2.419 -0.483 769 H GLU 96 H GLU 96 10.445 6.001 -3.501 770 HA GLU 96 HA GLU 96 12.154 8.259 -3.679 771 HB2 GLU 96 HB2 GLU 96 9.716 7.556 -5.415 772 HB3 GLU 96 HB3 GLU 96 10.896 8.794 -5.824 773 HG2 GLU 96 HG2 GLU 96 11.456 5.828 -5.597 774 HG3 GLU 96 HG3 GLU 96 11.214 6.710 -7.101 775 H TRP 97 H TRP 97 8.621 7.969 -3.330 776 HA TRP 97 HA TRP 97 8.022 10.725 -3.173 777 HB2 TRP 97 HB2 TRP 97 6.449 8.345 -2.097 778 HB3 TRP 97 HB3 TRP 97 5.813 9.975 -2.287 779 HD1 TRP 97 HD1 TRP 97 7.102 10.480 -5.252 780 HE1 TRP 97 HE1 TRP 97 6.015 9.309 -7.260 781 HE3 TRP 97 HE3 TRP 97 4.630 6.761 -2.788 782 HZ2 TRP 97 HZ2 TRP 97 4.341 7.125 -7.752 783 HZ3 TRP 97 HZ3 TRP 97 3.284 5.172 -4.104 784 HH2 TRP 97 HH2 TRP 97 3.146 5.363 -6.535 785 H LEU 98 H LEU 98 8.594 8.248 -0.681 786 HA LEU 98 HA LEU 98 7.993 9.782 1.596 787 HB2 LEU 98 HB2 LEU 98 8.159 7.304 1.556 788 HB3 LEU 98 HB3 LEU 98 9.896 7.432 1.326 789 HG LEU 98 HG LEU 98 10.068 8.553 3.583 790 HD11 LEU 98 HD11 LEU 98 7.810 9.462 3.777 791 HD12 LEU 98 HD12 LEU 98 8.176 8.416 5.147 792 HD13 LEU 98 HD13 LEU 98 7.134 7.827 3.851 793 HD21 LEU 98 HD21 LEU 98 9.789 6.488 4.885 794 HD22 LEU 98 HD22 LEU 98 10.553 6.173 3.330 795 HD23 LEU 98 HD23 LEU 98 8.849 5.776 3.569 796 H GLN 99 H GLN 99 11.162 9.103 0.053 797 HA GLN 99 HA GLN 99 12.760 10.623 1.847 798 HB2 GLN 99 HB2 GLN 99 13.325 9.709 -1.013 799 HB3 GLN 99 HB3 GLN 99 14.527 10.468 0.031 800 HG2 GLN 99 HG2 GLN 99 14.274 8.599 1.636 801 HG3 GLN 99 HG3 GLN 99 13.129 7.826 0.565 802 HE21 GLN 99 HE21 GLN 99 15.736 6.865 1.565 803 HE22 GLN 99 HE22 GLN 99 16.661 6.495 0.152 804 H ALA 100 H ALA 100 10.919 11.464 -0.994 805 HA ALA 100 HA ALA 100 12.032 14.074 -1.417 806 HB1 ALA 100 HB1 ALA 100 10.101 14.413 -2.914 807 HB2 ALA 100 HB2 ALA 100 9.367 12.921 -2.318 808 HB3 ALA 100 HB3 ALA 100 10.884 12.861 -3.218 809 H GLU 101 H GLU 101 9.305 12.766 0.430 810 HA GLU 101 HA GLU 101 8.226 15.271 1.292 811 HB2 GLU 101 HB2 GLU 101 7.916 12.454 2.427 812 HB3 GLU 101 HB3 GLU 101 7.000 13.851 2.980 813 HG2 GLU 101 HG2 GLU 101 6.897 12.614 0.221 814 HG3 GLU 101 HG3 GLU 101 5.663 12.502 1.468 815 H GLN 102 H GLN 102 10.615 13.017 2.594 816 HA GLN 102 HA GLN 102 10.907 14.361 5.139 817 HB2 GLN 102 HB2 GLN 102 12.532 12.131 3.846 818 HB3 GLN 102 HB3 GLN 102 12.801 12.735 5.478 819 HG2 GLN 102 HG2 GLN 102 10.199 11.483 4.541 820 HG3 GLN 102 HG3 GLN 102 11.490 10.603 5.352 821 HE21 GLN 102 HE21 GLN 102 10.110 10.025 7.053 822 HE22 GLN 102 HE22 GLN 102 9.594 11.148 8.256 823 H ASN 103 H ASN 103 12.245 15.971 5.582 824 HA ASN 103 HA ASN 103 13.888 17.231 3.553 825 HB2 ASN 103 HB2 ASN 103 13.391 17.911 6.489 826 HB3 ASN 103 HB3 ASN 103 14.398 18.881 5.422 827 HD21 ASN 103 HD21 ASN 103 11.143 17.955 6.220 828 HD22 ASN 103 HD22 ASN 103 10.361 19.142 5.237 829 H ASN 104 H ASN 104 14.388 15.011 6.164 830 HA ASN 104 HA ASN 104 17.235 14.787 5.476 831 HB2 ASN 104 HB2 ASN 104 17.066 16.252 7.537 832 HB3 ASN 104 HB3 ASN 104 16.264 14.929 8.376 833 HD21 ASN 104 HD21 ASN 104 19.303 16.073 7.070 834 HD22 ASN 104 HD22 ASN 104 20.310 14.918 7.866 Start of MODEL 19 1 H1 ALA 1 H1 ALA 1 -17.142 -14.780 2.884 2 H2 ALA 1 H2 ALA 1 -17.578 -16.312 2.342 3 H3 ALA 1 H3 ALA 1 -18.177 -14.943 1.562 4 HA ALA 1 HA ALA 1 -15.328 -15.744 1.672 5 HB1 ALA 1 HB1 ALA 1 -15.593 -16.318 -0.731 6 HB2 ALA 1 HB2 ALA 1 -17.316 -15.941 -0.634 7 HB3 ALA 1 HB3 ALA 1 -16.656 -17.295 0.282 8 H ASP 2 H ASP 2 -14.601 -13.663 2.201 9 HA ASP 2 HA ASP 2 -13.707 -11.647 1.796 10 HB2 ASP 2 HB2 ASP 2 -14.059 -12.668 -1.038 11 HB3 ASP 2 HB3 ASP 2 -13.301 -11.112 -0.716 12 H GLU 3 H GLU 3 -16.678 -11.766 2.079 13 HA GLU 3 HA GLU 3 -17.890 -9.755 0.447 14 HB2 GLU 3 HB2 GLU 3 -19.228 -11.433 1.626 15 HB3 GLU 3 HB3 GLU 3 -18.637 -10.869 3.186 16 HG2 GLU 3 HG2 GLU 3 -19.761 -8.671 2.758 17 HG3 GLU 3 HG3 GLU 3 -20.432 -9.340 1.275 18 H ASN 4 H ASN 4 -16.302 -9.776 3.580 19 HA ASN 4 HA ASN 4 -16.652 -7.142 4.440 20 HB2 ASN 4 HB2 ASN 4 -15.792 -8.793 5.959 21 HB3 ASN 4 HB3 ASN 4 -14.446 -9.189 4.895 22 HD21 ASN 4 HD21 ASN 4 -12.603 -7.940 4.973 23 HD22 ASN 4 HD22 ASN 4 -12.329 -6.728 6.171 24 H ILE 5 H ILE 5 -14.098 -8.541 2.385 25 HA ILE 5 HA ILE 5 -12.659 -6.113 1.923 26 HB ILE 5 HB ILE 5 -12.647 -8.754 0.387 27 HG12 ILE 5 HG12 ILE 5 -10.691 -7.654 2.455 28 HG13 ILE 5 HG13 ILE 5 -11.873 -8.920 2.744 29 HG21 ILE 5 HG21 ILE 5 -10.516 -8.016 -0.632 30 HG22 ILE 5 HG22 ILE 5 -10.704 -6.434 0.122 31 HG23 ILE 5 HG23 ILE 5 -11.858 -6.967 -1.099 32 HD11 ILE 5 HD11 ILE 5 -9.494 -9.094 0.897 33 HD12 ILE 5 HD12 ILE 5 -10.701 -10.360 1.135 34 HD13 ILE 5 HD13 ILE 5 -9.674 -9.858 2.477 35 H ALA 6 H ALA 6 -15.195 -7.865 0.152 36 HA ALA 6 HA ALA 6 -15.227 -6.297 -2.213 37 HB1 ALA 6 HB1 ALA 6 -17.391 -7.374 -2.661 38 HB2 ALA 6 HB2 ALA 6 -17.473 -7.940 -0.991 39 HB3 ALA 6 HB3 ALA 6 -16.219 -8.551 -2.068 40 H LYS 7 H LYS 7 -16.712 -5.888 0.927 41 HA LYS 7 HA LYS 7 -18.437 -3.709 0.291 42 HB2 LYS 7 HB2 LYS 7 -18.697 -5.077 2.356 43 HB3 LYS 7 HB3 LYS 7 -17.155 -4.472 2.959 44 HG2 LYS 7 HG2 LYS 7 -18.078 -2.172 2.986 45 HG3 LYS 7 HG3 LYS 7 -19.625 -2.795 2.413 46 HD2 LYS 7 HD2 LYS 7 -19.868 -4.112 4.500 47 HD3 LYS 7 HD3 LYS 7 -18.311 -3.499 5.065 48 HE2 LYS 7 HE2 LYS 7 -19.188 -1.203 5.066 49 HE3 LYS 7 HE3 LYS 7 -20.730 -1.780 4.431 50 HZ1 LYS 7 HZ1 LYS 7 -19.575 -2.462 7.074 51 HZ2 LYS 7 HZ2 LYS 7 -21.021 -3.076 6.462 52 HZ3 LYS 7 HZ3 LYS 7 -20.877 -1.426 6.784 53 H PHE 8 H PHE 8 -15.061 -3.965 1.419 54 HA PHE 8 HA PHE 8 -14.543 -1.166 1.656 55 HB2 PHE 8 HB2 PHE 8 -12.584 -3.461 1.270 56 HB3 PHE 8 HB3 PHE 8 -12.136 -1.825 1.735 57 HD1 PHE 8 HD1 PHE 8 -14.695 -1.640 3.706 58 HD2 PHE 8 HD2 PHE 8 -11.421 -4.369 3.235 59 HE1 PHE 8 HE1 PHE 8 -14.848 -2.252 6.084 60 HE2 PHE 8 HE2 PHE 8 -11.595 -4.974 5.614 61 HZ PHE 8 HZ PHE 8 -13.307 -3.920 7.036 62 H GLU 9 H GLU 9 -14.306 -3.455 -0.995 63 HA GLU 9 HA GLU 9 -12.956 -1.936 -2.932 64 HB2 GLU 9 HB2 GLU 9 -15.230 -3.944 -3.247 65 HB3 GLU 9 HB3 GLU 9 -14.269 -3.336 -4.584 66 HG2 GLU 9 HG2 GLU 9 -13.063 -4.839 -2.255 67 HG3 GLU 9 HG3 GLU 9 -13.670 -5.644 -3.693 68 H LYS 10 H LYS 10 -16.398 -2.131 -2.068 69 HA LYS 10 HA LYS 10 -17.170 0.002 -3.899 70 HB2 LYS 10 HB2 LYS 10 -18.570 -2.080 -3.574 71 HB3 LYS 10 HB3 LYS 10 -18.920 -1.556 -1.930 72 HG2 LYS 10 HG2 LYS 10 -20.769 -1.067 -3.530 73 HG3 LYS 10 HG3 LYS 10 -20.134 0.395 -2.769 74 HD2 LYS 10 HD2 LYS 10 -18.753 0.812 -4.818 75 HD3 LYS 10 HD3 LYS 10 -19.485 -0.602 -5.574 76 HE2 LYS 10 HE2 LYS 10 -21.023 1.837 -4.633 77 HE3 LYS 10 HE3 LYS 10 -20.506 1.554 -6.293 78 HZ1 LYS 10 HZ1 LYS 10 -21.864 -0.440 -6.343 79 HZ2 LYS 10 HZ2 LYS 10 -22.798 0.913 -5.959 80 HZ3 LYS 10 HZ3 LYS 10 -22.355 -0.174 -4.746 81 H ALA 11 H ALA 11 -16.002 -0.139 -0.720 82 HA ALA 11 HA ALA 11 -17.275 2.236 0.332 83 HB1 ALA 11 HB1 ALA 11 -16.259 0.559 1.824 84 HB2 ALA 11 HB2 ALA 11 -15.538 2.148 2.070 85 HB3 ALA 11 HB3 ALA 11 -14.665 0.911 1.158 86 H TYR 12 H TYR 12 -14.533 1.509 -1.688 87 HA TYR 12 HA TYR 12 -13.545 4.271 -1.704 88 HB2 TYR 12 HB2 TYR 12 -12.204 1.889 -1.896 89 HB3 TYR 12 HB3 TYR 12 -12.461 2.184 -3.609 90 HD1 TYR 12 HD1 TYR 12 -11.661 4.483 -4.539 91 HD2 TYR 12 HD2 TYR 12 -10.395 2.924 -0.779 92 HE1 TYR 12 HE1 TYR 12 -9.739 6.015 -4.553 93 HE2 TYR 12 HE2 TYR 12 -8.476 4.439 -0.795 94 HH TYR 12 HH TYR 12 -7.091 5.643 -2.594 95 H LYS 13 H LYS 13 -13.614 5.593 -3.629 96 HA LYS 13 HA LYS 13 -15.198 4.685 -5.933 97 HB2 LYS 13 HB2 LYS 13 -16.781 5.745 -4.192 98 HB3 LYS 13 HB3 LYS 13 -15.943 7.266 -4.468 99 HG2 LYS 13 HG2 LYS 13 -18.078 7.113 -5.725 100 HG3 LYS 13 HG3 LYS 13 -16.686 7.306 -6.798 101 HD2 LYS 13 HD2 LYS 13 -16.705 4.868 -7.248 102 HD3 LYS 13 HD3 LYS 13 -18.090 4.678 -6.173 103 HE2 LYS 13 HE2 LYS 13 -19.456 6.053 -7.672 104 HE3 LYS 13 HE3 LYS 13 -18.064 6.309 -8.727 105 HZ1 LYS 13 HZ1 LYS 13 -19.306 3.678 -8.130 106 HZ2 LYS 13 HZ2 LYS 13 -17.987 3.937 -9.153 107 HZ3 LYS 13 HZ3 LYS 13 -19.503 4.557 -9.560 108 H LYS 14 H LYS 14 -12.483 5.127 -5.607 109 HA LYS 14 HA LYS 14 -10.628 6.095 -6.319 110 HB2 LYS 14 HB2 LYS 14 -12.464 7.158 -8.475 111 HB3 LYS 14 HB3 LYS 14 -10.721 7.394 -8.512 112 HG2 LYS 14 HG2 LYS 14 -10.411 4.915 -8.497 113 HG3 LYS 14 HG3 LYS 14 -12.166 4.724 -8.569 114 HD2 LYS 14 HD2 LYS 14 -12.220 5.923 -10.732 115 HD3 LYS 14 HD3 LYS 14 -10.471 6.154 -10.654 116 HE2 LYS 14 HE2 LYS 14 -10.145 3.707 -10.756 117 HE3 LYS 14 HE3 LYS 14 -11.897 3.484 -10.838 118 HZ1 LYS 14 HZ1 LYS 14 -10.895 3.385 -13.031 119 HZ2 LYS 14 HZ2 LYS 14 -10.241 4.936 -12.838 120 HZ3 LYS 14 HZ3 LYS 14 -11.918 4.727 -12.911 121 H ALA 15 H ALA 15 -9.453 7.610 -5.420 122 HA ALA 15 HA ALA 15 -10.462 10.119 -4.471 123 HB1 ALA 15 HB1 ALA 15 -8.157 10.497 -3.697 124 HB2 ALA 15 HB2 ALA 15 -7.613 9.097 -4.630 125 HB3 ALA 15 HB3 ALA 15 -8.724 8.878 -3.276 126 H GLU 16 H GLU 16 -9.631 9.122 -7.510 127 HA GLU 16 HA GLU 16 -8.511 11.433 -8.715 128 HB2 GLU 16 HB2 GLU 16 -8.515 9.113 -9.702 129 HB3 GLU 16 HB3 GLU 16 -10.257 9.229 -9.932 130 HG2 GLU 16 HG2 GLU 16 -9.922 11.108 -11.494 131 HG3 GLU 16 HG3 GLU 16 -8.180 11.011 -11.252 132 H GLU 17 H GLU 17 -11.768 10.341 -7.951 133 HA GLU 17 HA GLU 17 -13.137 12.439 -9.344 134 HB2 GLU 17 HB2 GLU 17 -13.961 10.194 -7.510 135 HB3 GLU 17 HB3 GLU 17 -15.084 11.529 -7.750 136 HG2 GLU 17 HG2 GLU 17 -15.641 9.746 -9.271 137 HG3 GLU 17 HG3 GLU 17 -15.047 11.118 -10.187 138 H LEU 18 H LEU 18 -12.806 14.449 -8.713 139 HA LEU 18 HA LEU 18 -12.707 16.377 -7.562 140 HB2 LEU 18 HB2 LEU 18 -14.096 14.791 -5.372 141 HB3 LEU 18 HB3 LEU 18 -13.803 16.517 -5.269 142 HG LEU 18 HG LEU 18 -15.529 15.211 -7.415 143 HD11 LEU 18 HD11 LEU 18 -16.405 16.646 -4.887 144 HD12 LEU 18 HD12 LEU 18 -16.557 14.916 -5.207 145 HD13 LEU 18 HD13 LEU 18 -17.461 16.071 -6.180 146 HD21 LEU 18 HD21 LEU 18 -14.536 17.339 -8.112 147 HD22 LEU 18 HD22 LEU 18 -15.150 18.121 -6.655 148 HD23 LEU 18 HD23 LEU 18 -16.276 17.513 -7.871 149 H ASN 19 H ASN 19 -11.567 17.497 -5.722 150 HA ASN 19 HA ASN 19 -9.142 16.105 -4.918 151 HB2 ASN 19 HB2 ASN 19 -9.251 18.597 -5.474 152 HB3 ASN 19 HB3 ASN 19 -10.090 18.835 -3.946 153 HD21 ASN 19 HD21 ASN 19 -7.465 19.831 -4.896 154 HD22 ASN 19 HD22 ASN 19 -6.326 19.341 -3.696 155 H GLN 20 H GLN 20 -10.220 14.368 -3.867 156 HA GLN 20 HA GLN 20 -11.079 14.862 -1.079 157 HB2 GLN 20 HB2 GLN 20 -12.352 12.985 -3.126 158 HB3 GLN 20 HB3 GLN 20 -12.720 12.949 -1.404 159 HG2 GLN 20 HG2 GLN 20 -13.536 15.320 -1.615 160 HG3 GLN 20 HG3 GLN 20 -13.306 15.185 -3.359 161 HE21 GLN 20 HE21 GLN 20 -14.575 13.530 -4.491 162 HE22 GLN 20 HE22 GLN 20 -16.121 13.078 -3.864 163 H GLY 21 H GLY 21 -8.479 14.197 -2.222 164 HA2 GLY 21 HA2 GLY 21 -7.795 11.460 -1.861 165 HA3 GLY 21 HA3 GLY 21 -6.677 12.815 -1.816 166 H GLU 22 H GLU 22 -8.288 14.061 0.391 167 HA GLU 22 HA GLU 22 -7.130 12.930 2.723 168 HB2 GLU 22 HB2 GLU 22 -7.777 15.305 2.592 169 HB3 GLU 22 HB3 GLU 22 -9.467 14.852 2.389 170 HG2 GLU 22 HG2 GLU 22 -9.145 15.616 4.652 171 HG3 GLU 22 HG3 GLU 22 -9.453 13.885 4.691 172 H LEU 23 H LEU 23 -10.278 12.556 1.151 173 HA LEU 23 HA LEU 23 -11.496 11.099 3.358 174 HB2 LEU 23 HB2 LEU 23 -12.542 11.608 0.544 175 HB3 LEU 23 HB3 LEU 23 -13.486 11.023 1.904 176 HG LEU 23 HG LEU 23 -12.281 13.785 1.574 177 HD11 LEU 23 HD11 LEU 23 -14.320 13.456 0.285 178 HD12 LEU 23 HD12 LEU 23 -14.598 14.583 1.607 179 HD13 LEU 23 HD13 LEU 23 -15.180 12.921 1.731 180 HD21 LEU 23 HD21 LEU 23 -12.060 13.132 3.921 181 HD22 LEU 23 HD22 LEU 23 -13.772 12.714 3.987 182 HD23 LEU 23 HD23 LEU 23 -13.282 14.390 3.740 183 H MET 24 H MET 24 -9.310 10.217 1.074 184 HA MET 24 HA MET 24 -10.111 7.410 1.113 185 HB2 MET 24 HB2 MET 24 -9.931 9.109 -1.373 186 HB3 MET 24 HB3 MET 24 -9.399 7.445 -1.473 187 HG2 MET 24 HG2 MET 24 -11.538 6.591 -1.075 188 HG3 MET 24 HG3 MET 24 -12.116 8.079 -0.331 189 HE1 MET 24 HE1 MET 24 -12.680 10.412 -3.366 190 HE2 MET 24 HE2 MET 24 -11.196 10.301 -2.415 191 HE3 MET 24 HE3 MET 24 -12.768 10.217 -1.612 192 H GLY 25 H GLY 25 -8.194 6.376 -0.560 193 HA2 GLY 25 HA2 GLY 25 -5.938 5.809 -0.646 194 HA3 GLY 25 HA3 GLY 25 -5.577 7.030 0.566 195 H ARG 26 H ARG 26 -7.252 6.422 2.574 196 HA ARG 26 HA ARG 26 -5.848 4.533 4.054 197 HB2 ARG 26 HB2 ARG 26 -8.596 5.755 4.525 198 HB3 ARG 26 HB3 ARG 26 -7.680 4.874 5.749 199 HG2 ARG 26 HG2 ARG 26 -5.930 6.555 5.745 200 HG3 ARG 26 HG3 ARG 26 -6.673 7.395 4.379 201 HD2 ARG 26 HD2 ARG 26 -7.111 8.537 6.522 202 HD3 ARG 26 HD3 ARG 26 -8.602 7.998 5.753 203 HE ARG 26 HE ARG 26 -7.868 5.996 7.519 204 HH11 ARG 26 HH11 ARG 26 -8.709 9.415 7.824 205 HH12 ARG 26 HH12 ARG 26 -9.359 9.235 9.419 206 HH21 ARG 26 HH21 ARG 26 -8.822 5.751 9.542 207 HH22 ARG 26 HH22 ARG 26 -9.421 7.133 10.399 208 H ALA 27 H ALA 27 -9.016 4.245 2.431 209 HA ALA 27 HA ALA 27 -9.748 1.726 3.458 210 HB1 ALA 27 HB1 ALA 27 -11.351 3.231 2.387 211 HB2 ALA 27 HB2 ALA 27 -11.394 1.631 1.646 212 HB3 ALA 27 HB3 ALA 27 -10.585 2.969 0.823 213 H LEU 28 H LEU 28 -8.046 2.571 0.411 214 HA LEU 28 HA LEU 28 -7.735 -0.063 -0.550 215 HB2 LEU 28 HB2 LEU 28 -6.374 2.546 -1.174 216 HB3 LEU 28 HB3 LEU 28 -5.680 1.066 -1.823 217 HG LEU 28 HG LEU 28 -8.546 1.969 -2.321 218 HD11 LEU 28 HD11 LEU 28 -6.947 3.513 -3.373 219 HD12 LEU 28 HD12 LEU 28 -7.853 2.590 -4.570 220 HD13 LEU 28 HD13 LEU 28 -6.186 2.157 -4.198 221 HD21 LEU 28 HD21 LEU 28 -6.946 -0.268 -3.581 222 HD22 LEU 28 HD22 LEU 28 -8.583 0.220 -4.029 223 HD23 LEU 28 HD23 LEU 28 -8.276 -0.452 -2.432 224 H TYR 29 H TYR 29 -5.749 1.884 1.632 225 HA TYR 29 HA TYR 29 -3.531 0.153 1.849 226 HB2 TYR 29 HB2 TYR 29 -3.419 2.433 2.720 227 HB3 TYR 29 HB3 TYR 29 -4.712 2.108 3.872 228 HD1 TYR 29 HD2 TYR 29 -1.307 0.821 2.935 229 HD2 TYR 29 HD1 TYR 29 -4.076 1.574 6.101 230 HE1 TYR 29 HE2 TYR 29 0.366 0.094 4.571 231 HE2 TYR 29 HE1 TYR 29 -2.400 0.833 7.737 232 HH TYR 29 HH TYR 29 0.901 0.196 6.876 233 H ASN 30 H ASN 30 -6.635 0.260 3.616 234 HA ASN 30 HA ASN 30 -6.068 -1.921 5.353 235 HB2 ASN 30 HB2 ASN 30 -8.686 -0.599 4.552 236 HB3 ASN 30 HB3 ASN 30 -8.668 -2.019 5.586 237 HD21 ASN 30 HD21 ASN 30 -8.125 1.372 5.432 238 HD22 ASN 30 HD22 ASN 30 -7.718 1.602 7.089 239 H ILE 31 H ILE 31 -7.603 -1.791 2.111 240 HA ILE 31 HA ILE 31 -8.511 -4.484 2.020 241 HB ILE 31 HB ILE 31 -7.634 -2.735 -0.347 242 HG12 ILE 31 HG12 ILE 31 -10.443 -3.056 0.813 243 HG13 ILE 31 HG13 ILE 31 -9.409 -1.664 1.076 244 HG21 ILE 31 HG21 ILE 31 -9.135 -4.163 -1.706 245 HG22 ILE 31 HG22 ILE 31 -9.463 -5.170 -0.296 246 HG23 ILE 31 HG23 ILE 31 -7.835 -5.105 -0.972 247 HD11 ILE 31 HD11 ILE 31 -11.079 -1.198 -0.598 248 HD12 ILE 31 HD12 ILE 31 -10.522 -2.552 -1.580 249 HD13 ILE 31 HD13 ILE 31 -9.469 -1.159 -1.315 250 H GLY 32 H GLY 32 -5.479 -2.899 1.149 251 HA2 GLY 32 HA2 GLY 32 -4.015 -5.035 0.114 252 HA3 GLY 32 HA3 GLY 32 -3.339 -3.650 0.968 253 H LEU 33 H LEU 33 -4.298 -3.886 3.488 254 HA LEU 33 HA LEU 33 -2.679 -5.807 4.733 255 HB2 LEU 33 HB2 LEU 33 -5.109 -4.333 5.816 256 HB3 LEU 33 HB3 LEU 33 -4.003 -5.257 6.818 257 HG LEU 33 HG LEU 33 -3.293 -2.730 5.260 258 HD11 LEU 33 HD11 LEU 33 -4.740 -2.253 7.174 259 HD12 LEU 33 HD12 LEU 33 -3.111 -1.658 7.475 260 HD13 LEU 33 HD13 LEU 33 -3.662 -3.148 8.248 261 HD21 LEU 33 HD21 LEU 33 -1.132 -2.815 6.426 262 HD22 LEU 33 HD22 LEU 33 -1.365 -4.228 5.401 263 HD23 LEU 33 HD23 LEU 33 -1.569 -4.364 7.150 264 H GLU 34 H GLU 34 -6.138 -5.852 3.929 265 HA GLU 34 HA GLU 34 -6.885 -8.213 5.314 266 HB2 GLU 34 HB2 GLU 34 -8.184 -6.867 2.904 267 HB3 GLU 34 HB3 GLU 34 -8.938 -8.121 3.877 268 HG2 GLU 34 HG2 GLU 34 -8.140 -5.382 4.873 269 HG3 GLU 34 HG3 GLU 34 -9.764 -5.858 4.419 270 H LYS 35 H LYS 35 -5.805 -7.663 1.975 271 HA LYS 35 HA LYS 35 -6.022 -10.364 1.084 272 HB2 LYS 35 HB2 LYS 35 -4.303 -8.052 0.090 273 HB3 LYS 35 HB3 LYS 35 -4.398 -9.606 -0.727 274 HG2 LYS 35 HG2 LYS 35 -6.670 -7.637 -0.334 275 HG3 LYS 35 HG3 LYS 35 -5.824 -7.994 -1.842 276 HD2 LYS 35 HD2 LYS 35 -6.668 -10.331 -1.744 277 HD3 LYS 35 HD3 LYS 35 -7.552 -9.936 -0.266 278 HE2 LYS 35 HE2 LYS 35 -9.098 -9.862 -2.111 279 HE3 LYS 35 HE3 LYS 35 -8.825 -8.204 -1.574 280 HZ1 LYS 35 HZ1 LYS 35 -8.813 -8.451 -4.000 281 HZ2 LYS 35 HZ2 LYS 35 -7.475 -9.480 -3.897 282 HZ3 LYS 35 HZ3 LYS 35 -7.341 -7.864 -3.420 283 H ASN 36 H ASN 36 -3.427 -8.463 2.573 284 HA ASN 36 HA ASN 36 -1.343 -10.377 2.404 285 HB2 ASN 36 HB2 ASN 36 -1.016 -7.907 2.802 286 HB3 ASN 36 HB3 ASN 36 -1.659 -8.101 4.426 287 HD21 ASN 36 HD21 ASN 36 0.255 -7.350 5.363 288 HD22 ASN 36 HD22 ASN 36 1.715 -8.271 5.381 289 H LYS 37 H LYS 37 -3.981 -9.915 4.696 290 HA LYS 37 HA LYS 37 -3.120 -11.559 6.839 291 HB2 LYS 37 HB2 LYS 37 -5.987 -11.115 5.863 292 HB3 LYS 37 HB3 LYS 37 -5.533 -11.781 7.425 293 HG2 LYS 37 HG2 LYS 37 -5.045 -8.960 6.472 294 HG3 LYS 37 HG3 LYS 37 -6.247 -9.475 7.644 295 HD2 LYS 37 HD2 LYS 37 -4.491 -10.128 9.217 296 HD3 LYS 37 HD3 LYS 37 -3.243 -9.739 8.027 297 HE2 LYS 37 HE2 LYS 37 -3.938 -7.369 8.076 298 HE3 LYS 37 HE3 LYS 37 -5.182 -7.754 9.271 299 HZ1 LYS 37 HZ1 LYS 37 -2.258 -8.125 9.655 300 HZ2 LYS 37 HZ2 LYS 37 -3.454 -8.448 10.802 301 HZ3 LYS 37 HZ3 LYS 37 -3.182 -6.859 10.294 302 H MET 38 H MET 38 -4.830 -12.258 3.840 303 HA MET 38 HA MET 38 -5.161 -15.108 4.406 304 HB2 MET 38 HB2 MET 38 -5.848 -13.550 1.879 305 HB3 MET 38 HB3 MET 38 -6.432 -15.147 2.320 306 HG2 MET 38 HG2 MET 38 -7.685 -14.174 4.207 307 HG3 MET 38 HG3 MET 38 -7.086 -12.575 3.771 308 HE1 MET 38 HE1 MET 38 -7.235 -12.993 0.449 309 HE2 MET 38 HE2 MET 38 -7.588 -11.489 1.306 310 HE3 MET 38 HE3 MET 38 -8.767 -12.166 0.188 311 H GLY 39 H GLY 39 -2.655 -13.229 3.309 312 HA2 GLY 39 HA2 GLY 39 -0.540 -14.102 2.777 313 HA3 GLY 39 HA3 GLY 39 -1.290 -15.534 2.099 314 H LYS 40 H LYS 40 -3.110 -13.167 0.805 315 HA LYS 40 HA LYS 40 -1.762 -13.208 -1.741 316 HB2 LYS 40 HB2 LYS 40 -4.269 -11.720 -0.844 317 HB3 LYS 40 HB3 LYS 40 -3.686 -11.792 -2.507 318 HG2 LYS 40 HG2 LYS 40 -3.896 -14.298 -2.408 319 HG3 LYS 40 HG3 LYS 40 -4.647 -14.123 -0.821 320 HD2 LYS 40 HD2 LYS 40 -6.518 -12.913 -1.772 321 HD3 LYS 40 HD3 LYS 40 -5.727 -12.839 -3.348 322 HE2 LYS 40 HE2 LYS 40 -5.842 -15.350 -3.455 323 HE3 LYS 40 HE3 LYS 40 -6.789 -15.317 -1.964 324 HZ1 LYS 40 HZ1 LYS 40 -7.540 -13.962 -4.491 325 HZ2 LYS 40 HZ2 LYS 40 -8.458 -13.995 -3.072 326 HZ3 LYS 40 HZ3 LYS 40 -8.182 -15.421 -3.935 327 H ALA 41 H ALA 41 0.205 -12.261 -1.164 328 HA ALA 41 HA ALA 41 0.346 -9.610 0.007 329 HB1 ALA 41 HB1 ALA 41 2.727 -10.094 0.218 330 HB2 ALA 41 HB2 ALA 41 2.545 -11.547 -0.768 331 HB3 ALA 41 HB3 ALA 41 1.766 -11.449 0.812 332 H ARG 42 H ARG 42 0.704 -11.024 -3.196 333 HA ARG 42 HA ARG 42 2.128 -8.802 -4.346 334 HB2 ARG 42 HB2 ARG 42 2.089 -11.178 -5.275 335 HB3 ARG 42 HB3 ARG 42 0.464 -10.866 -5.857 336 HG2 ARG 42 HG2 ARG 42 2.623 -8.937 -6.673 337 HG3 ARG 42 HG3 ARG 42 2.644 -10.536 -7.403 338 HD2 ARG 42 HD2 ARG 42 0.244 -8.690 -7.453 339 HD3 ARG 42 HD3 ARG 42 1.444 -8.802 -8.741 340 HE ARG 42 HE ARG 42 0.334 -11.356 -8.039 341 HH11 ARG 42 HH11 ARG 42 -0.260 -8.493 -10.030 342 HH12 ARG 42 HH12 ARG 42 -1.268 -9.347 -11.154 343 HH21 ARG 42 HH21 ARG 42 -0.941 -12.457 -9.533 344 HH22 ARG 42 HH22 ARG 42 -1.652 -11.607 -10.872 345 H GLU 43 H GLU 43 -1.279 -9.805 -4.138 346 HA GLU 43 HA GLU 43 -2.398 -7.523 -5.405 347 HB2 GLU 43 HB2 GLU 43 -3.627 -9.354 -3.295 348 HB3 GLU 43 HB3 GLU 43 -4.506 -8.090 -4.145 349 HG2 GLU 43 HG2 GLU 43 -3.836 -9.329 -6.320 350 HG3 GLU 43 HG3 GLU 43 -3.405 -10.672 -5.259 351 H ALA 44 H ALA 44 -1.564 -8.300 -2.050 352 HA ALA 44 HA ALA 44 -2.564 -6.096 -0.708 353 HB1 ALA 44 HB1 ALA 44 -1.578 -8.053 0.411 354 HB2 ALA 44 HB2 ALA 44 -0.881 -6.547 1.011 355 HB3 ALA 44 HB3 ALA 44 0.030 -7.555 -0.118 356 H ALA 45 H ALA 45 0.708 -6.505 -2.067 357 HA ALA 45 HA ALA 45 1.758 -3.964 -1.569 358 HB1 ALA 45 HB1 ALA 45 2.411 -5.859 -3.859 359 HB2 ALA 45 HB2 ALA 45 3.111 -5.908 -2.244 360 HB3 ALA 45 HB3 ALA 45 3.431 -4.527 -3.290 361 H GLU 46 H GLU 46 -0.201 -5.158 -4.233 362 HA GLU 46 HA GLU 46 0.076 -2.959 -6.006 363 HB2 GLU 46 HB2 GLU 46 -0.646 -5.372 -6.473 364 HB3 GLU 46 HB3 GLU 46 -2.234 -4.934 -5.888 365 HG2 GLU 46 HG2 GLU 46 -0.934 -3.464 -8.186 366 HG3 GLU 46 HG3 GLU 46 -1.796 -4.972 -8.441 367 H TYR 47 H TYR 47 -2.314 -3.725 -3.468 368 HA TYR 47 HA TYR 47 -3.942 -1.391 -3.831 369 HB2 TYR 47 HB2 TYR 47 -3.614 -3.281 -1.472 370 HB3 TYR 47 HB3 TYR 47 -4.778 -1.966 -1.491 371 HD1 TYR 47 HD1 TYR 47 -6.371 -1.966 -3.659 372 HD2 TYR 47 HD2 TYR 47 -4.423 -5.410 -2.065 373 HE1 TYR 47 HE1 TYR 47 -8.062 -3.404 -4.692 374 HE2 TYR 47 HE2 TYR 47 -6.109 -6.847 -3.113 375 HH TYR 47 HH TYR 47 -8.388 -5.665 -5.404 376 H PHE 48 H PHE 48 -1.120 -2.148 -1.828 377 HA PHE 48 HA PHE 48 -1.139 0.183 -0.193 378 HB2 PHE 48 HB2 PHE 48 1.185 -1.634 -0.978 379 HB3 PHE 48 HB3 PHE 48 1.289 -0.373 0.245 380 HD1 PHE 48 HD1 PHE 48 -1.320 -0.773 1.670 381 HD2 PHE 48 HD2 PHE 48 1.557 -3.605 0.276 382 HE1 PHE 48 HE1 PHE 48 -2.012 -2.352 3.412 383 HE2 PHE 48 HE2 PHE 48 0.846 -5.189 2.021 384 HZ PHE 48 HZ PHE 48 -0.939 -4.565 3.588 385 H PHE 49 H PHE 49 0.084 -0.522 -3.392 386 HA PHE 49 HA PHE 49 1.694 1.805 -3.713 387 HB2 PHE 49 HB2 PHE 49 1.929 -0.244 -5.134 388 HB3 PHE 49 HB3 PHE 49 0.370 0.109 -5.882 389 HD1 PHE 49 HD2 PHE 49 3.329 2.249 -5.010 390 HD2 PHE 49 HD1 PHE 49 0.772 0.825 -8.125 391 HE1 PHE 49 HE2 PHE 49 4.485 3.656 -6.624 392 HE2 PHE 49 HE1 PHE 49 1.953 2.251 -9.743 393 HZ PHE 49 HZ PHE 49 3.833 3.675 -8.986 394 H ARG 50 H ARG 50 -1.627 0.976 -4.713 395 HA ARG 50 HA ARG 50 -2.422 3.376 -5.915 396 HB2 ARG 50 HB2 ARG 50 -4.137 1.583 -4.156 397 HB3 ARG 50 HB3 ARG 50 -4.729 2.732 -5.341 398 HG2 ARG 50 HG2 ARG 50 -3.856 1.329 -7.158 399 HG3 ARG 50 HG3 ARG 50 -3.203 0.195 -5.972 400 HD2 ARG 50 HD2 ARG 50 -5.532 -0.183 -5.109 401 HD3 ARG 50 HD3 ARG 50 -6.141 0.872 -6.390 402 HE ARG 50 HE ARG 50 -4.560 -1.433 -7.193 403 HH11 ARG 50 HH11 ARG 50 -7.806 -0.093 -6.818 404 HH12 ARG 50 HH12 ARG 50 -8.530 -1.256 -7.881 405 HH21 ARG 50 HH21 ARG 50 -5.497 -2.915 -8.599 406 HH22 ARG 50 HH22 ARG 50 -7.205 -2.872 -8.902 407 H ALA 51 H ALA 51 -2.594 2.312 -2.544 408 HA ALA 51 HA ALA 51 -3.820 4.555 -1.375 409 HB1 ALA 51 HB1 ALA 51 -1.950 2.500 -0.137 410 HB2 ALA 51 HB2 ALA 51 -3.702 2.361 -0.282 411 HB3 ALA 51 HB3 ALA 51 -3.008 3.604 0.756 412 H ALA 52 H ALA 52 -0.397 3.673 -1.853 413 HA ALA 52 HA ALA 52 0.774 5.780 -0.354 414 HB1 ALA 52 HB1 ALA 52 2.004 3.733 -0.936 415 HB2 ALA 52 HB2 ALA 52 2.885 5.165 -1.465 416 HB3 ALA 52 HB3 ALA 52 1.995 4.186 -2.639 417 H ILE 53 H ILE 53 -0.227 5.553 -3.735 418 HA ILE 53 HA ILE 53 0.846 7.959 -4.753 419 HB ILE 53 HB ILE 53 -1.712 6.465 -5.518 420 HG12 ILE 53 HG12 ILE 53 0.987 6.536 -6.945 421 HG13 ILE 53 HG13 ILE 53 0.455 5.233 -5.899 422 HG21 ILE 53 HG21 ILE 53 -0.394 8.738 -7.047 423 HG22 ILE 53 HG22 ILE 53 -1.957 8.803 -6.231 424 HG23 ILE 53 HG23 ILE 53 -1.736 7.756 -7.634 425 HD11 ILE 53 HD11 ILE 53 0.195 4.608 -8.204 426 HD12 ILE 53 HD12 ILE 53 -0.790 6.035 -8.528 427 HD13 ILE 53 HD13 ILE 53 -1.397 4.765 -7.460 428 H VAL 54 H VAL 54 -2.297 7.258 -3.202 429 HA VAL 54 HA VAL 54 -3.368 9.889 -3.430 430 HB VAL 54 HB VAL 54 -4.211 7.649 -1.529 431 HG11 VAL 54 HG11 VAL 54 -6.429 8.745 -1.505 432 HG12 VAL 54 HG12 VAL 54 -5.793 10.065 -2.488 433 HG13 VAL 54 HG13 VAL 54 -5.174 9.802 -0.858 434 HG21 VAL 54 HG21 VAL 54 -5.875 7.014 -3.232 435 HG22 VAL 54 HG22 VAL 54 -4.237 6.874 -3.867 436 HG23 VAL 54 HG23 VAL 54 -5.244 8.245 -4.330 437 H PHE 55 H PHE 55 -1.725 8.140 -0.802 438 HA PHE 55 HA PHE 55 -1.996 10.071 1.243 439 HB2 PHE 55 HB2 PHE 55 0.009 7.821 0.831 440 HB3 PHE 55 HB3 PHE 55 0.052 8.852 2.255 441 HD1 PHE 55 HD1 PHE 55 -2.731 9.165 3.042 442 HD2 PHE 55 HD2 PHE 55 -0.751 5.687 1.522 443 HE1 PHE 55 HE1 PHE 55 -4.337 7.721 4.215 444 HE2 PHE 55 HE2 PHE 55 -2.369 4.254 2.697 445 HZ PHE 55 HZ PHE 55 -4.158 5.272 4.045 446 H TYR 56 H TYR 56 0.676 9.457 -1.057 447 HA TYR 56 HA TYR 56 2.383 11.541 -0.172 448 HB2 TYR 56 HB2 TYR 56 3.243 9.722 -1.571 449 HB3 TYR 56 HB3 TYR 56 2.186 10.185 -2.908 450 HD1 TYR 56 HD2 TYR 56 4.825 11.685 -0.682 451 HD2 TYR 56 HD1 TYR 56 3.131 11.557 -4.609 452 HE1 TYR 56 HE2 TYR 56 6.531 13.238 -1.459 453 HE2 TYR 56 HE1 TYR 56 4.844 13.123 -5.381 454 HH TYR 56 HH TYR 56 6.317 14.938 -4.292 455 H LYS 57 H LYS 57 0.027 11.406 -2.792 456 HA LYS 57 HA LYS 57 0.255 13.917 -3.921 457 HB2 LYS 57 HB2 LYS 57 -1.164 11.870 -4.647 458 HB3 LYS 57 HB3 LYS 57 -2.393 12.460 -3.538 459 HG2 LYS 57 HG2 LYS 57 -2.915 13.126 -5.806 460 HG3 LYS 57 HG3 LYS 57 -2.533 14.561 -4.850 461 HD2 LYS 57 HD2 LYS 57 -0.312 14.699 -5.843 462 HD3 LYS 57 HD3 LYS 57 -0.535 13.153 -6.665 463 HE2 LYS 57 HE2 LYS 57 -2.278 14.116 -8.062 464 HE3 LYS 57 HE3 LYS 57 -2.155 15.653 -7.205 465 HZ1 LYS 57 HZ1 LYS 57 0.060 14.413 -8.741 466 HZ2 LYS 57 HZ2 LYS 57 0.057 15.943 -8.033 467 HZ3 LYS 57 HZ3 LYS 57 -0.957 15.617 -9.340 468 H GLU 58 H GLU 58 -1.620 12.875 -1.100 469 HA GLU 58 HA GLU 58 -2.619 15.558 -0.525 470 HB2 GLU 58 HB2 GLU 58 -3.973 13.405 -0.236 471 HB3 GLU 58 HB3 GLU 58 -2.944 13.026 1.142 472 HG2 GLU 58 HG2 GLU 58 -5.119 14.025 1.798 473 HG3 GLU 58 HG3 GLU 58 -3.740 14.982 2.340 474 H HIS 59 H HIS 59 0.165 13.800 0.115 475 HA HIS 59 HA HIS 59 2.036 14.113 1.291 476 HB2 HIS 59 HB2 HIS 59 0.872 16.886 1.741 477 HB3 HIS 59 HB3 HIS 59 2.471 16.427 2.324 478 HD1 HIS 59 HD1 HIS 59 4.375 16.522 0.685 479 HD2 HIS 59 HD2 HIS 59 0.687 16.827 -1.205 480 HE1 HIS 59 HE1 HIS 59 4.883 17.118 -1.698 481 HE2 HIS 59 HE2 HIS 59 2.661 17.021 -2.856 482 H ASP 60 H ASP 60 -0.275 12.905 2.522 483 HA ASP 60 HA ASP 60 0.062 13.268 5.373 484 HB2 ASP 60 HB2 ASP 60 -2.081 12.457 4.529 485 HB3 ASP 60 HB3 ASP 60 -1.306 11.096 3.721 486 H THR 61 H THR 61 2.074 12.890 6.071 487 HA THR 61 HA THR 61 3.914 11.022 4.966 488 HB THR 61 HB THR 61 5.259 11.559 7.108 489 HG1 THR 61 HG1 THR 61 3.031 12.344 8.057 490 HG21 THR 61 HG21 THR 61 4.378 13.867 5.336 491 HG22 THR 61 HG22 THR 61 5.700 12.734 5.012 492 HG23 THR 61 HG23 THR 61 5.806 13.849 6.376 493 H ASP 62 H ASP 62 1.500 10.755 7.461 494 HA ASP 62 HA ASP 62 2.572 8.591 8.962 495 HB2 ASP 62 HB2 ASP 62 0.739 9.950 9.874 496 HB3 ASP 62 HB3 ASP 62 -0.323 9.505 8.547 497 H GLY 63 H GLY 63 0.022 8.666 6.478 498 HA2 GLY 63 HA2 GLY 63 -0.238 5.841 6.257 499 HA3 GLY 63 HA3 GLY 63 -0.945 7.052 5.198 500 H LEU 64 H LEU 64 1.611 8.261 4.452 501 HA LEU 64 HA LEU 64 2.347 6.586 2.261 502 HB2 LEU 64 HB2 LEU 64 2.504 9.037 2.131 503 HB3 LEU 64 HB3 LEU 64 3.690 9.056 3.426 504 HG LEU 64 HG LEU 64 5.309 7.852 1.937 505 HD11 LEU 64 HD11 LEU 64 4.915 7.684 -0.473 506 HD12 LEU 64 HD12 LEU 64 3.248 8.217 -0.253 507 HD13 LEU 64 HD13 LEU 64 3.786 6.686 0.443 508 HD21 LEU 64 HD21 LEU 64 5.419 10.282 2.128 509 HD22 LEU 64 HD22 LEU 64 4.277 10.462 0.792 510 HD23 LEU 64 HD23 LEU 64 5.866 9.757 0.506 511 H ARG 65 H ARG 65 3.878 7.348 5.375 512 HA ARG 65 HA ARG 65 6.281 5.883 5.127 513 HB2 ARG 65 HB2 ARG 65 5.925 7.552 6.873 514 HB3 ARG 65 HB3 ARG 65 4.615 6.611 7.569 515 HG2 ARG 65 HG2 ARG 65 6.204 4.890 8.301 516 HG3 ARG 65 HG3 ARG 65 7.533 5.771 7.538 517 HD2 ARG 65 HD2 ARG 65 7.148 7.686 9.038 518 HD3 ARG 65 HD3 ARG 65 5.794 6.838 9.793 519 HE ARG 65 HE ARG 65 7.756 5.103 10.233 520 HH11 ARG 65 HH11 ARG 65 7.722 8.600 10.681 521 HH12 ARG 65 HH12 ARG 65 8.860 8.569 11.991 522 HH21 ARG 65 HH21 ARG 65 9.231 5.063 11.970 523 HH22 ARG 65 HH22 ARG 65 9.719 6.547 12.727 524 H ARG 66 H ARG 66 3.099 5.005 6.388 525 HA ARG 66 HA ARG 66 3.731 2.352 7.160 526 HB2 ARG 66 HB2 ARG 66 1.065 3.661 6.507 527 HB3 ARG 66 HB3 ARG 66 1.220 2.028 7.144 528 HG2 ARG 66 HG2 ARG 66 2.420 3.049 9.156 529 HG3 ARG 66 HG3 ARG 66 1.922 4.627 8.541 530 HD2 ARG 66 HD2 ARG 66 0.351 3.820 10.249 531 HD3 ARG 66 HD3 ARG 66 -0.451 3.940 8.677 532 HE ARG 66 HE ARG 66 0.471 1.346 8.854 533 HH11 ARG 66 HH11 ARG 66 -1.778 3.288 10.765 534 HH12 ARG 66 HH12 ARG 66 -2.711 1.914 11.260 535 HH21 ARG 66 HH21 ARG 66 -0.774 -0.408 9.454 536 HH22 ARG 66 HH22 ARG 66 -2.134 -0.200 10.509 537 H ALA 67 H ALA 67 2.225 3.704 4.206 538 HA ALA 67 HA ALA 67 1.671 1.187 2.972 539 HB1 ALA 67 HB1 ALA 67 0.433 3.236 2.408 540 HB2 ALA 67 HB2 ALA 67 1.139 2.505 0.968 541 HB3 ALA 67 HB3 ALA 67 1.881 3.940 1.689 542 H ALA 68 H ALA 68 4.450 3.352 2.886 543 HA ALA 68 HA ALA 68 5.854 2.227 0.703 544 HB1 ALA 68 HB1 ALA 68 6.446 4.407 1.688 545 HB2 ALA 68 HB2 ALA 68 7.841 3.330 1.650 546 HB3 ALA 68 HB3 ALA 68 6.979 3.609 3.167 547 H LYS 69 H LYS 69 5.956 1.561 4.176 548 HA LYS 69 HA LYS 69 7.884 -0.557 4.053 549 HB2 LYS 69 HB2 LYS 69 5.938 0.302 6.224 550 HB3 LYS 69 HB3 LYS 69 7.173 -0.935 6.440 551 HG2 LYS 69 HG2 LYS 69 8.933 0.775 5.943 552 HG3 LYS 69 HG3 LYS 69 7.664 2.000 5.835 553 HD2 LYS 69 HD2 LYS 69 8.779 2.001 8.064 554 HD3 LYS 69 HD3 LYS 69 7.054 1.639 8.177 555 HE2 LYS 69 HE2 LYS 69 7.555 -0.759 8.398 556 HE3 LYS 69 HE3 LYS 69 9.280 -0.428 8.217 557 HZ1 LYS 69 HZ1 LYS 69 7.571 0.561 10.433 558 HZ2 LYS 69 HZ2 LYS 69 9.232 0.822 10.260 559 HZ3 LYS 69 HZ3 LYS 69 8.643 -0.737 10.521 560 H SER 70 H SER 70 4.365 -0.396 4.094 561 HA SER 70 HA SER 70 3.875 -3.172 4.498 562 HB2 SER 70 HB2 SER 70 2.065 -1.012 3.336 563 HB3 SER 70 HB3 SER 70 1.538 -2.616 3.848 564 HG SER 70 HG SER 70 2.928 -0.972 5.657 565 H LEU 71 H LEU 71 4.380 -1.127 1.688 566 HA LEU 71 HA LEU 71 3.509 -2.862 -0.356 567 HB2 LEU 71 HB2 LEU 71 4.381 -0.265 -0.275 568 HB3 LEU 71 HB3 LEU 71 5.808 -1.014 -0.955 569 HG LEU 71 HG LEU 71 3.020 -1.276 -2.163 570 HD11 LEU 71 HD11 LEU 71 3.667 1.058 -2.196 571 HD12 LEU 71 HD12 LEU 71 3.713 0.387 -3.823 572 HD13 LEU 71 HD13 LEU 71 5.218 0.657 -2.939 573 HD21 LEU 71 HD21 LEU 71 4.533 -3.084 -2.812 574 HD22 LEU 71 HD22 LEU 71 5.737 -1.911 -3.352 575 HD23 LEU 71 HD23 LEU 71 4.179 -2.029 -4.179 576 H LYS 72 H LYS 72 6.743 -2.272 1.037 577 HA LYS 72 HA LYS 72 8.093 -4.131 -0.666 578 HB2 LYS 72 HB2 LYS 72 10.112 -3.525 0.531 579 HB3 LYS 72 HB3 LYS 72 9.164 -2.089 0.214 580 HG2 LYS 72 HG2 LYS 72 9.816 -1.639 2.373 581 HG3 LYS 72 HG3 LYS 72 8.309 -2.487 2.706 582 HD2 LYS 72 HD2 LYS 72 10.069 -3.282 4.215 583 HD3 LYS 72 HD3 LYS 72 9.603 -4.582 3.117 584 HE2 LYS 72 HE2 LYS 72 11.599 -4.097 1.719 585 HE3 LYS 72 HE3 LYS 72 12.063 -2.818 2.840 586 HZ1 LYS 72 HZ1 LYS 72 11.875 -5.712 3.486 587 HZ2 LYS 72 HZ2 LYS 72 12.245 -4.493 4.587 588 HZ3 LYS 72 HZ3 LYS 72 13.301 -4.814 3.311 589 H GLU 73 H GLU 73 6.859 -4.370 2.672 590 HA GLU 73 HA GLU 73 8.111 -6.872 3.300 591 HB2 GLU 73 HB2 GLU 73 6.682 -6.953 5.266 592 HB3 GLU 73 HB3 GLU 73 7.228 -5.294 5.050 593 HG2 GLU 73 HG2 GLU 73 5.070 -4.656 4.108 594 HG3 GLU 73 HG3 GLU 73 4.511 -6.322 4.173 595 H ALA 74 H ALA 74 5.151 -5.955 1.688 596 HA ALA 74 HA ALA 74 3.927 -8.527 1.602 597 HB1 ALA 74 HB1 ALA 74 2.663 -6.433 1.300 598 HB2 ALA 74 HB2 ALA 74 2.439 -7.529 -0.060 599 HB3 ALA 74 HB3 ALA 74 3.510 -6.136 -0.220 600 H ILE 75 H ILE 75 6.244 -6.820 -0.464 601 HA ILE 75 HA ILE 75 6.190 -8.656 -2.653 602 HB ILE 75 HB ILE 75 8.274 -6.581 -1.883 603 HG12 ILE 75 HG12 ILE 75 6.178 -6.390 -4.095 604 HG13 ILE 75 HG13 ILE 75 5.831 -5.874 -2.449 605 HG21 ILE 75 HG21 ILE 75 7.980 -8.100 -4.513 606 HG22 ILE 75 HG22 ILE 75 9.307 -8.266 -3.365 607 HG23 ILE 75 HG23 ILE 75 9.082 -6.751 -4.236 608 HD11 ILE 75 HD11 ILE 75 8.055 -4.763 -4.139 609 HD12 ILE 75 HD12 ILE 75 7.516 -4.191 -2.559 610 HD13 ILE 75 HD13 ILE 75 6.453 -4.050 -3.956 611 H THR 76 H THR 76 8.291 -8.344 0.199 612 HA THR 76 HA THR 76 9.976 -10.585 -0.413 613 HB THR 76 HB THR 76 10.583 -10.464 2.054 614 HG1 THR 76 HG1 THR 76 8.375 -9.518 2.541 615 HG21 THR 76 HG21 THR 76 11.678 -8.249 1.942 616 HG22 THR 76 HG22 THR 76 10.673 -7.812 0.559 617 HG23 THR 76 HG23 THR 76 11.852 -9.117 0.415 618 H ALA 77 H ALA 77 6.736 -10.334 0.610 619 HA ALA 77 HA ALA 77 6.609 -13.006 1.811 620 HB1 ALA 77 HB1 ALA 77 5.396 -11.179 2.915 621 HB2 ALA 77 HB2 ALA 77 4.281 -12.421 2.348 622 HB3 ALA 77 HB3 ALA 77 4.445 -10.905 1.453 623 H ILE 78 H ILE 78 6.159 -11.527 -1.309 624 HA ILE 78 HA ILE 78 4.273 -13.333 -2.461 625 HB ILE 78 HB ILE 78 6.552 -11.912 -3.948 626 HG12 ILE 78 HG12 ILE 78 3.701 -10.889 -3.561 627 HG13 ILE 78 HG13 ILE 78 5.095 -10.303 -2.667 628 HG21 ILE 78 HG21 ILE 78 5.112 -12.118 -5.958 629 HG22 ILE 78 HG22 ILE 78 3.900 -12.979 -5.009 630 HG23 ILE 78 HG23 ILE 78 5.486 -13.706 -5.279 631 HD11 ILE 78 HD11 ILE 78 4.724 -10.073 -5.656 632 HD12 ILE 78 HD12 ILE 78 6.096 -9.463 -4.723 633 HD13 ILE 78 HD13 ILE 78 4.488 -8.794 -4.463 634 HA PRO 79 HA PRO 79 6.971 -17.013 -2.497 635 HB2 PRO 79 HB2 PRO 79 5.492 -18.615 -4.178 636 HB3 PRO 79 HB3 PRO 79 5.019 -18.302 -2.496 637 HG2 PRO 79 HG2 PRO 79 4.039 -16.950 -4.995 638 HG3 PRO 79 HG3 PRO 79 3.099 -17.595 -3.629 639 HD2 PRO 79 HD2 PRO 79 3.636 -14.965 -3.810 640 HD3 PRO 79 HD3 PRO 79 3.635 -15.792 -2.232 641 H GLU 80 H GLU 80 7.774 -18.584 -4.390 642 HA GLU 80 HA GLU 80 9.561 -17.025 -5.922 643 HB2 GLU 80 HB2 GLU 80 8.871 -19.960 -6.301 644 HB3 GLU 80 HB3 GLU 80 10.317 -19.159 -6.896 645 HG2 GLU 80 HG2 GLU 80 9.578 -19.670 -4.006 646 HG3 GLU 80 HG3 GLU 80 10.851 -20.463 -4.931 647 H GLU 81 H GLU 81 9.909 -17.261 -8.299 648 HA GLU 81 HA GLU 81 9.382 -16.992 -10.462 649 HB2 GLU 81 HB2 GLU 81 7.959 -19.063 -10.189 650 HB3 GLU 81 HB3 GLU 81 6.579 -18.038 -9.857 651 HG2 GLU 81 HG2 GLU 81 8.111 -17.863 -12.456 652 HG3 GLU 81 HG3 GLU 81 6.809 -19.024 -12.228 653 H GLU 82 H GLU 82 6.281 -16.124 -8.812 654 HA GLU 82 HA GLU 82 6.105 -13.616 -10.207 655 HB2 GLU 82 HB2 GLU 82 4.127 -15.027 -9.411 656 HB3 GLU 82 HB3 GLU 82 4.482 -14.474 -7.777 657 HG2 GLU 82 HG2 GLU 82 4.090 -12.127 -8.475 658 HG3 GLU 82 HG3 GLU 82 3.762 -12.680 -10.123 659 H GLY 83 H GLY 83 5.899 -11.512 -9.074 660 HA2 GLY 83 HA2 GLY 83 6.786 -9.822 -7.748 661 HA3 GLY 83 HA3 GLY 83 7.476 -11.041 -6.677 662 H ARG 84 H ARG 84 9.295 -9.412 -6.822 663 HA ARG 84 HA ARG 84 11.463 -8.997 -7.292 664 HB2 ARG 84 HB2 ARG 84 11.230 -11.332 -9.226 665 HB3 ARG 84 HB3 ARG 84 12.720 -10.414 -9.036 666 HG2 ARG 84 HG2 ARG 84 12.775 -12.512 -7.744 667 HG3 ARG 84 HG3 ARG 84 12.896 -11.110 -6.686 668 HD2 ARG 84 HD2 ARG 84 10.607 -11.371 -5.967 669 HD3 ARG 84 HD3 ARG 84 10.298 -12.604 -7.183 670 HE ARG 84 HE ARG 84 12.378 -13.392 -5.394 671 HH11 ARG 84 HH11 ARG 84 8.863 -13.149 -5.662 672 HH12 ARG 84 HH12 ARG 84 8.567 -14.400 -4.501 673 HH21 ARG 84 HH21 ARG 84 11.956 -15.042 -3.871 674 HH22 ARG 84 HH22 ARG 84 10.328 -15.476 -3.484 675 H LYS 85 H LYS 85 9.912 -9.652 -10.476 676 HA LYS 85 HA LYS 85 10.122 -6.777 -11.142 677 HB2 LYS 85 HB2 LYS 85 8.916 -9.081 -12.752 678 HB3 LYS 85 HB3 LYS 85 9.195 -7.436 -13.318 679 HG2 LYS 85 HG2 LYS 85 11.633 -7.765 -13.109 680 HG3 LYS 85 HG3 LYS 85 11.358 -9.414 -12.542 681 HD2 LYS 85 HD2 LYS 85 10.235 -9.931 -14.735 682 HD3 LYS 85 HD3 LYS 85 10.653 -8.304 -15.286 683 HE2 LYS 85 HE2 LYS 85 12.277 -9.906 -16.142 684 HE3 LYS 85 HE3 LYS 85 13.063 -8.841 -14.974 685 HZ1 LYS 85 HZ1 LYS 85 12.094 -11.595 -14.413 686 HZ2 LYS 85 HZ2 LYS 85 12.876 -10.585 -13.311 687 HZ3 LYS 85 HZ3 LYS 85 13.701 -11.156 -14.670 688 H GLU 86 H GLU 86 7.614 -6.483 -12.486 689 HA GLU 86 HA GLU 86 5.406 -6.063 -12.264 690 HB2 GLU 86 HB2 GLU 86 5.170 -8.489 -12.282 691 HB3 GLU 86 HB3 GLU 86 5.518 -8.587 -10.562 692 HG2 GLU 86 HG2 GLU 86 3.148 -8.970 -10.970 693 HG3 GLU 86 HG3 GLU 86 3.365 -7.472 -10.073 694 H ALA 87 H ALA 87 5.428 -7.333 -8.949 695 HA ALA 87 HA ALA 87 4.172 -4.934 -7.988 696 HB1 ALA 87 HB1 ALA 87 5.062 -7.415 -6.481 697 HB2 ALA 87 HB2 ALA 87 3.482 -7.171 -7.224 698 HB3 ALA 87 HB3 ALA 87 3.978 -6.155 -5.872 699 H LYS 88 H LYS 88 7.386 -6.260 -7.976 700 HA LYS 88 HA LYS 88 8.427 -5.042 -5.656 701 HB2 LYS 88 HB2 LYS 88 9.318 -7.062 -6.900 702 HB3 LYS 88 HB3 LYS 88 9.981 -5.970 -8.097 703 HG2 LYS 88 HG2 LYS 88 10.767 -5.709 -5.185 704 HG3 LYS 88 HG3 LYS 88 11.532 -6.916 -6.218 705 HD2 LYS 88 HD2 LYS 88 12.348 -5.176 -7.720 706 HD3 LYS 88 HD3 LYS 88 11.479 -3.940 -6.807 707 HE2 LYS 88 HE2 LYS 88 12.893 -4.427 -4.838 708 HE3 LYS 88 HE3 LYS 88 13.782 -5.623 -5.785 709 HZ1 LYS 88 HZ1 LYS 88 14.892 -3.447 -5.668 710 HZ2 LYS 88 HZ2 LYS 88 13.585 -2.740 -6.476 711 HZ3 LYS 88 HZ3 LYS 88 14.532 -3.902 -7.257 712 H GLU 89 H GLU 89 8.140 -3.964 -8.970 713 HA GLU 89 HA GLU 89 9.972 -1.840 -9.046 714 HB2 GLU 89 HB2 GLU 89 7.310 -2.018 -10.508 715 HB3 GLU 89 HB3 GLU 89 8.703 -1.064 -10.998 716 HG2 GLU 89 HG2 GLU 89 8.526 -4.092 -10.935 717 HG3 GLU 89 HG3 GLU 89 8.520 -3.072 -12.370 718 H MET 90 H MET 90 6.788 -2.047 -7.717 719 HA MET 90 HA MET 90 6.152 0.734 -7.511 720 HB2 MET 90 HB2 MET 90 4.959 -1.638 -6.053 721 HB3 MET 90 HB3 MET 90 4.212 -0.061 -6.236 722 HG2 MET 90 HG2 MET 90 4.133 -0.441 -8.712 723 HG3 MET 90 HG3 MET 90 4.751 -2.066 -8.441 724 HE1 MET 90 HE1 MET 90 3.487 -3.782 -6.776 725 HE2 MET 90 HE2 MET 90 1.809 -3.615 -6.299 726 HE3 MET 90 HE3 MET 90 3.037 -2.601 -5.548 727 H ALA 91 H ALA 91 7.704 -1.631 -5.389 728 HA ALA 91 HA ALA 91 7.607 -0.373 -2.909 729 HB1 ALA 91 HB1 ALA 91 8.544 -2.607 -3.181 730 HB2 ALA 91 HB2 ALA 91 9.709 -1.568 -2.365 731 HB3 ALA 91 HB3 ALA 91 9.914 -1.964 -4.077 732 H LYS 92 H LYS 92 9.983 0.063 -5.555 733 HA LYS 92 HA LYS 92 11.666 1.913 -4.309 734 HB2 LYS 92 HB2 LYS 92 12.322 0.831 -6.425 735 HB3 LYS 92 HB3 LYS 92 11.046 1.684 -7.295 736 HG2 LYS 92 HG2 LYS 92 12.128 3.840 -6.824 737 HG3 LYS 92 HG3 LYS 92 13.360 3.034 -5.857 738 HD2 LYS 92 HD2 LYS 92 14.175 1.872 -7.910 739 HD3 LYS 92 HD3 LYS 92 12.957 2.740 -8.854 740 HE2 LYS 92 HE2 LYS 92 15.215 3.802 -8.980 741 HE3 LYS 92 HE3 LYS 92 13.991 4.885 -8.313 742 HZ1 LYS 92 HZ1 LYS 92 14.823 4.483 -6.108 743 HZ2 LYS 92 HZ2 LYS 92 16.129 4.915 -7.089 744 HZ3 LYS 92 HZ3 LYS 92 15.896 3.296 -6.661 745 H LYS 93 H LYS 93 8.681 2.404 -6.174 746 HA LYS 93 HA LYS 93 8.802 5.214 -6.457 747 HB2 LYS 93 HB2 LYS 93 6.457 3.278 -6.352 748 HB3 LYS 93 HB3 LYS 93 6.241 4.988 -6.678 749 HG2 LYS 93 HG2 LYS 93 7.904 3.105 -8.381 750 HG3 LYS 93 HG3 LYS 93 6.247 3.606 -8.733 751 HD2 LYS 93 HD2 LYS 93 6.964 5.951 -8.895 752 HD3 LYS 93 HD3 LYS 93 8.609 5.487 -8.481 753 HE2 LYS 93 HE2 LYS 93 8.653 4.084 -10.581 754 HE3 LYS 93 HE3 LYS 93 7.090 4.796 -11.004 755 HZ1 LYS 93 HZ1 LYS 93 8.094 6.973 -10.993 756 HZ2 LYS 93 HZ2 LYS 93 8.971 5.966 -12.027 757 HZ3 LYS 93 HZ3 LYS 93 9.577 6.338 -10.493 758 H ALA 94 H ALA 94 7.312 3.196 -3.951 759 HA ALA 94 HA ALA 94 6.156 5.245 -2.389 760 HB1 ALA 94 HB1 ALA 94 5.916 3.488 -0.690 761 HB2 ALA 94 HB2 ALA 94 7.042 2.458 -1.578 762 HB3 ALA 94 HB3 ALA 94 5.482 2.887 -2.285 763 H GLU 95 H GLU 95 9.351 3.725 -2.322 764 HA GLU 95 HA GLU 95 10.388 4.981 -0.004 765 HB2 GLU 95 HB2 GLU 95 11.898 3.999 -2.460 766 HB3 GLU 95 HB3 GLU 95 12.619 4.357 -0.900 767 HG2 GLU 95 HG2 GLU 95 10.643 2.140 -1.482 768 HG3 GLU 95 HG3 GLU 95 12.367 1.950 -1.225 769 H GLU 96 H GLU 96 10.549 5.849 -3.454 770 HA GLU 96 HA GLU 96 12.199 8.110 -3.334 771 HB2 GLU 96 HB2 GLU 96 9.889 7.484 -5.223 772 HB3 GLU 96 HB3 GLU 96 11.032 8.793 -5.482 773 HG2 GLU 96 HG2 GLU 96 11.685 5.842 -5.439 774 HG3 GLU 96 HG3 GLU 96 11.540 6.850 -6.873 775 H TRP 97 H TRP 97 8.687 7.806 -3.061 776 HA TRP 97 HA TRP 97 8.066 10.577 -2.883 777 HB2 TRP 97 HB2 TRP 97 6.473 8.121 -2.030 778 HB3 TRP 97 HB3 TRP 97 5.818 9.745 -2.159 779 HD1 TRP 97 HD1 TRP 97 7.482 10.213 -5.077 780 HE1 TRP 97 HE1 TRP 97 6.384 9.200 -7.160 781 HE3 TRP 97 HE3 TRP 97 4.352 6.841 -2.820 782 HZ2 TRP 97 HZ2 TRP 97 4.451 7.256 -7.791 783 HZ3 TRP 97 HZ3 TRP 97 2.904 5.447 -4.252 784 HH2 TRP 97 HH2 TRP 97 2.959 5.661 -6.681 785 H LEU 98 H LEU 98 8.667 8.029 -0.507 786 HA LEU 98 HA LEU 98 7.890 9.498 1.792 787 HB2 LEU 98 HB2 LEU 98 8.035 6.996 1.673 788 HB3 LEU 98 HB3 LEU 98 9.787 7.127 1.643 789 HG LEU 98 HG LEU 98 9.761 8.146 3.908 790 HD11 LEU 98 HD11 LEU 98 6.753 7.737 3.834 791 HD12 LEU 98 HD12 LEU 98 7.610 9.284 3.875 792 HD13 LEU 98 HD13 LEU 98 7.698 8.195 5.254 793 HD21 LEU 98 HD21 LEU 98 8.268 5.500 3.798 794 HD22 LEU 98 HD22 LEU 98 9.166 6.136 5.180 795 HD23 LEU 98 HD23 LEU 98 10.018 5.712 3.696 796 H GLN 99 H GLN 99 10.952 9.169 0.054 797 HA GLN 99 HA GLN 99 12.581 10.493 2.024 798 HB2 GLN 99 HB2 GLN 99 13.119 10.057 -0.952 799 HB3 GLN 99 HB3 GLN 99 14.306 10.606 0.227 800 HG2 GLN 99 HG2 GLN 99 12.996 7.879 0.083 801 HG3 GLN 99 HG3 GLN 99 14.685 8.268 -0.222 802 HE21 GLN 99 HE21 GLN 99 13.356 6.426 1.708 803 HE22 GLN 99 HE22 GLN 99 14.008 6.850 3.251 804 H ALA 100 H ALA 100 10.648 11.509 -0.727 805 HA ALA 100 HA ALA 100 11.558 14.172 -1.024 806 HB1 ALA 100 HB1 ALA 100 10.187 13.025 -2.718 807 HB2 ALA 100 HB2 ALA 100 9.440 14.550 -2.243 808 HB3 ALA 100 HB3 ALA 100 8.806 13.021 -1.625 809 H GLU 101 H GLU 101 9.277 12.688 1.179 810 HA GLU 101 HA GLU 101 8.349 15.181 2.359 811 HB2 GLU 101 HB2 GLU 101 7.880 12.270 3.168 812 HB3 GLU 101 HB3 GLU 101 7.083 13.663 3.888 813 HG2 GLU 101 HG2 GLU 101 6.803 12.743 1.016 814 HG3 GLU 101 HG3 GLU 101 5.612 12.544 2.299 815 H GLN 102 H GLN 102 10.283 12.376 3.414 816 HA GLN 102 HA GLN 102 11.019 13.641 5.942 817 HB2 GLN 102 HB2 GLN 102 11.538 10.860 4.789 818 HB3 GLN 102 HB3 GLN 102 12.219 11.402 6.319 819 HG2 GLN 102 HG2 GLN 102 9.921 11.742 7.212 820 HG3 GLN 102 HG3 GLN 102 9.270 11.157 5.681 821 HE21 GLN 102 HE21 GLN 102 8.168 9.462 6.814 822 HE22 GLN 102 HE22 GLN 102 9.016 8.071 7.385 823 H ASN 103 H ASN 103 12.277 15.357 5.144 824 HA ASN 103 HA ASN 103 14.735 14.823 3.630 825 HB2 ASN 103 HB2 ASN 103 13.478 17.417 4.658 826 HB3 ASN 103 HB3 ASN 103 14.953 17.341 3.704 827 HD21 ASN 103 HD21 ASN 103 11.484 16.941 3.635 828 HD22 ASN 103 HD22 ASN 103 11.328 16.902 1.916 829 H ASN 104 H ASN 104 16.541 14.291 4.691 830 HA ASN 104 HA ASN 104 17.142 15.412 7.368 831 HB2 ASN 104 HB2 ASN 104 17.626 12.547 6.412 832 HB3 ASN 104 HB3 ASN 104 18.301 13.217 7.895 833 HD21 ASN 104 HD21 ASN 104 16.891 13.698 9.622 834 HD22 ASN 104 HD22 ASN 104 15.338 12.961 9.745 Start of MODEL 20 1 H1 ALA 1 H1 ALA 1 -14.941 -14.564 -0.054 2 H2 ALA 1 H2 ALA 1 -15.893 -14.508 1.344 3 H3 ALA 1 H3 ALA 1 -15.157 -15.955 0.888 4 HA ALA 1 HA ALA 1 -14.029 -14.869 2.751 5 HB1 ALA 1 HB1 ALA 1 -11.762 -15.154 1.835 6 HB2 ALA 1 HB2 ALA 1 -12.404 -15.071 0.191 7 HB3 ALA 1 HB3 ALA 1 -12.838 -16.420 1.242 8 H ASP 2 H ASP 2 -15.504 -12.712 1.228 9 HA ASP 2 HA ASP 2 -13.600 -10.470 1.426 10 HB2 ASP 2 HB2 ASP 2 -14.369 -9.630 -0.812 11 HB3 ASP 2 HB3 ASP 2 -13.495 -11.151 -0.926 12 H GLU 3 H GLU 3 -15.753 -11.356 3.112 13 HA GLU 3 HA GLU 3 -18.151 -9.876 2.818 14 HB2 GLU 3 HB2 GLU 3 -17.674 -11.890 4.347 15 HB3 GLU 3 HB3 GLU 3 -16.862 -10.790 5.445 16 HG2 GLU 3 HG2 GLU 3 -19.787 -10.523 4.651 17 HG3 GLU 3 HG3 GLU 3 -19.250 -11.441 6.052 18 H ASN 4 H ASN 4 -15.261 -9.273 4.859 19 HA ASN 4 HA ASN 4 -16.063 -6.632 5.667 20 HB2 ASN 4 HB2 ASN 4 -13.283 -7.863 5.880 21 HB3 ASN 4 HB3 ASN 4 -13.923 -6.519 6.823 22 HD21 ASN 4 HD21 ASN 4 -13.948 -9.986 6.388 23 HD22 ASN 4 HD22 ASN 4 -14.742 -10.358 7.877 24 H ILE 5 H ILE 5 -14.064 -7.969 3.115 25 HA ILE 5 HA ILE 5 -12.680 -5.633 2.294 26 HB ILE 5 HB ILE 5 -13.420 -8.114 0.670 27 HG12 ILE 5 HG12 ILE 5 -10.851 -7.390 2.157 28 HG13 ILE 5 HG13 ILE 5 -12.017 -8.614 2.644 29 HG21 ILE 5 HG21 ILE 5 -11.378 -5.966 -0.033 30 HG22 ILE 5 HG22 ILE 5 -12.904 -6.253 -0.866 31 HG23 ILE 5 HG23 ILE 5 -11.633 -7.472 -0.926 32 HD11 ILE 5 HD11 ILE 5 -10.074 -9.638 1.668 33 HD12 ILE 5 HD12 ILE 5 -10.263 -8.697 0.189 34 HD13 ILE 5 HD13 ILE 5 -11.470 -9.911 0.624 35 H ALA 6 H ALA 6 -15.866 -6.950 1.506 36 HA ALA 6 HA ALA 6 -16.656 -5.431 -0.694 37 HB1 ALA 6 HB1 ALA 6 -17.940 -7.348 0.186 38 HB2 ALA 6 HB2 ALA 6 -18.970 -5.927 0.005 39 HB3 ALA 6 HB3 ALA 6 -18.396 -6.400 1.605 40 H LYS 7 H LYS 7 -16.534 -4.566 2.711 41 HA LYS 7 HA LYS 7 -17.955 -2.117 2.626 42 HB2 LYS 7 HB2 LYS 7 -15.877 -3.216 4.558 43 HB3 LYS 7 HB3 LYS 7 -16.498 -1.583 4.739 44 HG2 LYS 7 HG2 LYS 7 -17.661 -3.104 6.240 45 HG3 LYS 7 HG3 LYS 7 -18.775 -2.450 5.037 46 HD2 LYS 7 HD2 LYS 7 -18.699 -4.555 3.777 47 HD3 LYS 7 HD3 LYS 7 -17.490 -5.211 4.886 48 HE2 LYS 7 HE2 LYS 7 -19.775 -6.072 5.331 49 HE3 LYS 7 HE3 LYS 7 -19.109 -5.199 6.712 50 HZ1 LYS 7 HZ1 LYS 7 -20.431 -3.284 6.117 51 HZ2 LYS 7 HZ2 LYS 7 -21.433 -4.635 6.266 52 HZ3 LYS 7 HZ3 LYS 7 -21.014 -4.061 4.734 53 H PHE 8 H PHE 8 -14.489 -2.909 2.384 54 HA PHE 8 HA PHE 8 -13.580 -0.204 2.286 55 HB2 PHE 8 HB2 PHE 8 -12.091 -2.727 1.452 56 HB3 PHE 8 HB3 PHE 8 -11.360 -1.168 1.816 57 HD1 PHE 8 HD1 PHE 8 -12.408 -0.267 4.288 58 HD2 PHE 8 HD2 PHE 8 -11.597 -4.306 3.107 59 HE1 PHE 8 HE1 PHE 8 -12.150 -0.917 6.644 60 HE2 PHE 8 HE2 PHE 8 -11.351 -4.942 5.464 61 HZ PHE 8 HZ PHE 8 -11.625 -3.251 7.231 62 H GLU 9 H GLU 9 -14.403 -2.580 -0.197 63 HA GLU 9 HA GLU 9 -13.258 -1.351 -2.459 64 HB2 GLU 9 HB2 GLU 9 -15.709 -3.139 -2.231 65 HB3 GLU 9 HB3 GLU 9 -14.982 -2.669 -3.765 66 HG2 GLU 9 HG2 GLU 9 -12.897 -3.824 -3.151 67 HG3 GLU 9 HG3 GLU 9 -13.590 -4.269 -1.590 68 H LYS 10 H LYS 10 -16.539 -1.068 -1.065 69 HA LYS 10 HA LYS 10 -17.276 1.049 -2.938 70 HB2 LYS 10 HB2 LYS 10 -18.883 -0.296 -0.728 71 HB3 LYS 10 HB3 LYS 10 -19.511 0.944 -1.815 72 HG2 LYS 10 HG2 LYS 10 -18.960 -0.576 -3.754 73 HG3 LYS 10 HG3 LYS 10 -18.554 -1.836 -2.588 74 HD2 LYS 10 HD2 LYS 10 -21.273 -0.514 -2.950 75 HD3 LYS 10 HD3 LYS 10 -20.828 -2.144 -3.460 76 HE2 LYS 10 HE2 LYS 10 -20.995 -1.141 -0.595 77 HE3 LYS 10 HE3 LYS 10 -22.123 -2.233 -1.397 78 HZ1 LYS 10 HZ1 LYS 10 -19.258 -2.831 -0.892 79 HZ2 LYS 10 HZ2 LYS 10 -20.395 -3.880 -1.579 80 HZ3 LYS 10 HZ3 LYS 10 -20.552 -3.399 0.036 81 H ALA 11 H ALA 11 -15.923 0.826 0.228 82 HA ALA 11 HA ALA 11 -16.646 3.413 1.235 83 HB1 ALA 11 HB1 ALA 11 -14.745 3.137 2.789 84 HB2 ALA 11 HB2 ALA 11 -14.167 1.748 1.864 85 HB3 ALA 11 HB3 ALA 11 -15.708 1.661 2.717 86 H TYR 12 H TYR 12 -14.108 2.157 -0.860 87 HA TYR 12 HA TYR 12 -12.884 4.716 -1.337 88 HB2 TYR 12 HB2 TYR 12 -11.874 2.286 -1.715 89 HB3 TYR 12 HB3 TYR 12 -12.669 2.391 -3.282 90 HD1 TYR 12 HD2 TYR 12 -12.196 4.817 -4.517 91 HD2 TYR 12 HD1 TYR 12 -9.636 2.954 -1.655 92 HE1 TYR 12 HE2 TYR 12 -10.304 6.139 -5.345 93 HE2 TYR 12 HE1 TYR 12 -7.756 4.255 -2.485 94 HH TYR 12 HH TYR 12 -7.132 5.411 -4.682 95 H LYS 13 H LYS 13 -14.428 6.167 -1.981 96 HA LYS 13 HA LYS 13 -16.588 5.527 -3.740 97 HB2 LYS 13 HB2 LYS 13 -15.612 8.208 -2.677 98 HB3 LYS 13 HB3 LYS 13 -17.120 7.966 -3.561 99 HG2 LYS 13 HG2 LYS 13 -17.913 6.442 -1.780 100 HG3 LYS 13 HG3 LYS 13 -16.413 6.711 -0.885 101 HD2 LYS 13 HD2 LYS 13 -16.970 9.094 -0.615 102 HD3 LYS 13 HD3 LYS 13 -18.426 8.891 -1.598 103 HE2 LYS 13 HE2 LYS 13 -19.355 7.361 0.089 104 HE3 LYS 13 HE3 LYS 13 -17.891 7.531 1.061 105 HZ1 LYS 13 HZ1 LYS 13 -19.709 8.928 1.843 106 HZ2 LYS 13 HZ2 LYS 13 -19.731 9.748 0.364 107 HZ3 LYS 13 HZ3 LYS 13 -18.372 9.844 1.363 108 H LYS 14 H LYS 14 -14.442 8.333 -4.301 109 HA LYS 14 HA LYS 14 -13.596 7.415 -6.915 110 HB2 LYS 14 HB2 LYS 14 -15.958 8.127 -7.321 111 HB3 LYS 14 HB3 LYS 14 -15.573 9.734 -6.713 112 HG2 LYS 14 HG2 LYS 14 -14.001 10.084 -8.578 113 HG3 LYS 14 HG3 LYS 14 -14.327 8.457 -9.178 114 HD2 LYS 14 HD2 LYS 14 -16.533 10.528 -8.883 115 HD3 LYS 14 HD3 LYS 14 -15.533 10.436 -10.327 116 HE2 LYS 14 HE2 LYS 14 -17.577 9.249 -10.756 117 HE3 LYS 14 HE3 LYS 14 -16.281 8.067 -10.637 118 HZ1 LYS 14 HZ1 LYS 14 -17.015 7.504 -8.434 119 HZ2 LYS 14 HZ2 LYS 14 -18.322 7.388 -9.500 120 HZ3 LYS 14 HZ3 LYS 14 -18.188 8.720 -8.469 121 H ALA 15 H ALA 15 -11.544 7.832 -6.073 122 HA ALA 15 HA ALA 15 -10.750 10.627 -5.544 123 HB1 ALA 15 HB1 ALA 15 -9.982 8.876 -3.959 124 HB2 ALA 15 HB2 ALA 15 -8.628 9.682 -4.759 125 HB3 ALA 15 HB3 ALA 15 -9.129 8.068 -5.276 126 H GLU 16 H GLU 16 -11.218 8.755 -8.187 127 HA GLU 16 HA GLU 16 -8.739 9.293 -9.639 128 HB2 GLU 16 HB2 GLU 16 -9.820 7.903 -11.434 129 HB3 GLU 16 HB3 GLU 16 -9.649 7.071 -9.898 130 HG2 GLU 16 HG2 GLU 16 -12.067 7.531 -9.429 131 HG3 GLU 16 HG3 GLU 16 -12.215 8.250 -11.032 132 H GLU 17 H GLU 17 -12.210 10.092 -9.947 133 HA GLU 17 HA GLU 17 -11.597 12.090 -12.034 134 HB2 GLU 17 HB2 GLU 17 -13.250 10.470 -12.701 135 HB3 GLU 17 HB3 GLU 17 -14.173 10.695 -11.222 136 HG2 GLU 17 HG2 GLU 17 -14.813 12.955 -11.931 137 HG3 GLU 17 HG3 GLU 17 -13.808 12.804 -13.372 138 H LEU 18 H LEU 18 -12.966 11.716 -8.828 139 HA LEU 18 HA LEU 18 -13.234 14.646 -8.521 140 HB2 LEU 18 HB2 LEU 18 -14.274 12.344 -6.804 141 HB3 LEU 18 HB3 LEU 18 -14.449 14.043 -6.387 142 HG LEU 18 HG LEU 18 -15.688 12.707 -8.828 143 HD11 LEU 18 HD11 LEU 18 -17.835 12.974 -7.689 144 HD12 LEU 18 HD12 LEU 18 -17.019 13.615 -6.258 145 HD13 LEU 18 HD13 LEU 18 -16.745 11.945 -6.764 146 HD21 LEU 18 HD21 LEU 18 -15.181 15.045 -9.282 147 HD22 LEU 18 HD22 LEU 18 -16.001 15.547 -7.800 148 HD23 LEU 18 HD23 LEU 18 -16.918 14.817 -9.123 149 H ASN 19 H ASN 19 -11.819 15.721 -7.221 150 HA ASN 19 HA ASN 19 -9.614 14.277 -5.948 151 HB2 ASN 19 HB2 ASN 19 -10.082 17.293 -6.110 152 HB3 ASN 19 HB3 ASN 19 -8.603 16.493 -5.588 153 HD21 ASN 19 HD21 ASN 19 -8.897 18.426 -7.687 154 HD22 ASN 19 HD22 ASN 19 -8.386 17.671 -9.150 155 H GLN 20 H GLN 20 -11.591 13.392 -4.649 156 HA GLN 20 HA GLN 20 -12.134 14.973 -2.205 157 HB2 GLN 20 HB2 GLN 20 -13.386 12.377 -3.224 158 HB3 GLN 20 HB3 GLN 20 -13.856 13.216 -1.750 159 HG2 GLN 20 HG2 GLN 20 -14.636 15.139 -3.087 160 HG3 GLN 20 HG3 GLN 20 -14.165 14.301 -4.569 161 HE21 GLN 20 HE21 GLN 20 -16.807 15.220 -3.880 162 HE22 GLN 20 HE22 GLN 20 -17.829 13.831 -3.841 163 H GLY 21 H GLY 21 -9.502 13.920 -2.692 164 HA2 GLY 21 HA2 GLY 21 -8.935 11.418 -1.519 165 HA3 GLY 21 HA3 GLY 21 -7.803 12.750 -1.700 166 H GLU 22 H GLU 22 -7.417 11.267 0.459 167 HA GLU 22 HA GLU 22 -7.180 11.193 2.685 168 HB2 GLU 22 HB2 GLU 22 -7.080 13.656 2.802 169 HB3 GLU 22 HB3 GLU 22 -8.837 13.740 2.844 170 HG2 GLU 22 HG2 GLU 22 -8.821 12.558 5.032 171 HG3 GLU 22 HG3 GLU 22 -7.058 12.533 4.980 172 H LEU 23 H LEU 23 -10.565 11.955 1.696 173 HA LEU 23 HA LEU 23 -11.933 10.196 3.423 174 HB2 LEU 23 HB2 LEU 23 -12.547 10.877 0.517 175 HB3 LEU 23 HB3 LEU 23 -13.658 10.041 1.588 176 HG LEU 23 HG LEU 23 -12.701 12.909 1.945 177 HD11 LEU 23 HD11 LEU 23 -14.169 12.679 -0.002 178 HD12 LEU 23 HD12 LEU 23 -14.966 13.572 1.288 179 HD13 LEU 23 HD13 LEU 23 -15.397 11.885 0.992 180 HD21 LEU 23 HD21 LEU 23 -14.784 11.348 3.520 181 HD22 LEU 23 HD22 LEU 23 -14.432 13.070 3.697 182 HD23 LEU 23 HD23 LEU 23 -13.204 11.879 4.107 183 H MET 24 H MET 24 -9.956 9.625 0.624 184 HA MET 24 HA MET 24 -10.374 6.695 0.759 185 HB2 MET 24 HB2 MET 24 -10.206 8.467 -1.722 186 HB3 MET 24 HB3 MET 24 -10.014 6.721 -1.774 187 HG2 MET 24 HG2 MET 24 -12.237 6.307 -1.287 188 HG3 MET 24 HG3 MET 24 -12.488 7.866 -0.507 189 HE1 MET 24 HE1 MET 24 -11.401 9.984 -2.495 190 HE2 MET 24 HE2 MET 24 -12.964 10.058 -1.671 191 HE3 MET 24 HE3 MET 24 -12.873 10.306 -3.417 192 H GLY 25 H GLY 25 -8.559 5.717 -0.788 193 HA2 GLY 25 HA2 GLY 25 -6.224 5.479 -1.162 194 HA3 GLY 25 HA3 GLY 25 -5.912 6.723 0.045 195 H ARG 26 H ARG 26 -7.375 5.972 2.152 196 HA ARG 26 HA ARG 26 -6.033 3.993 3.531 197 HB2 ARG 26 HB2 ARG 26 -7.408 5.676 4.695 198 HB3 ARG 26 HB3 ARG 26 -8.873 5.025 3.961 199 HG2 ARG 26 HG2 ARG 26 -8.401 2.842 5.179 200 HG3 ARG 26 HG3 ARG 26 -7.101 3.677 6.026 201 HD2 ARG 26 HD2 ARG 26 -8.702 5.194 7.062 202 HD3 ARG 26 HD3 ARG 26 -10.023 4.498 6.119 203 HE ARG 26 HE ARG 26 -9.562 2.369 7.318 204 HH11 ARG 26 HH11 ARG 26 -8.606 5.389 8.870 205 HH12 ARG 26 HH12 ARG 26 -8.688 4.724 10.469 206 HH21 ARG 26 HH21 ARG 26 -9.682 1.537 9.417 207 HH22 ARG 26 HH22 ARG 26 -9.297 2.546 10.772 208 H ALA 27 H ALA 27 -9.105 3.801 1.753 209 HA ALA 27 HA ALA 27 -9.943 1.264 2.514 210 HB1 ALA 27 HB1 ALA 27 -11.440 1.357 0.578 211 HB2 ALA 27 HB2 ALA 27 -10.510 2.698 -0.092 212 HB3 ALA 27 HB3 ALA 27 -11.397 2.908 1.417 213 H LEU 28 H LEU 28 -7.812 2.184 -0.248 214 HA LEU 28 HA LEU 28 -7.633 -0.410 -1.358 215 HB2 LEU 28 HB2 LEU 28 -5.786 1.964 -1.601 216 HB3 LEU 28 HB3 LEU 28 -5.415 0.431 -2.378 217 HG LEU 28 HG LEU 28 -7.857 2.139 -2.905 218 HD11 LEU 28 HD11 LEU 28 -6.913 2.551 -5.101 219 HD12 LEU 28 HD12 LEU 28 -5.481 1.608 -4.683 220 HD13 LEU 28 HD13 LEU 28 -5.831 3.115 -3.831 221 HD21 LEU 28 HD21 LEU 28 -7.075 -0.456 -4.258 222 HD22 LEU 28 HD22 LEU 28 -8.425 0.591 -4.708 223 HD23 LEU 28 HD23 LEU 28 -8.430 -0.228 -3.149 224 H TYR 29 H TYR 29 -5.602 1.352 0.943 225 HA TYR 29 HA TYR 29 -3.587 -0.518 1.437 226 HB2 TYR 29 HB2 TYR 29 -3.454 1.820 2.209 227 HB3 TYR 29 HB3 TYR 29 -4.822 1.581 3.286 228 HD1 TYR 29 HD2 TYR 29 -1.348 0.330 2.652 229 HD2 TYR 29 HD1 TYR 29 -4.399 0.999 5.570 230 HE1 TYR 29 HE2 TYR 29 0.212 -0.308 4.429 231 HE2 TYR 29 HE1 TYR 29 -2.834 0.352 7.346 232 HH TYR 29 HH TYR 29 -0.807 -1.001 7.594 233 H ASN 30 H ASN 30 -6.834 -0.219 2.811 234 HA ASN 30 HA ASN 30 -6.512 -2.114 4.947 235 HB2 ASN 30 HB2 ASN 30 -8.913 -0.678 3.761 236 HB3 ASN 30 HB3 ASN 30 -9.075 -1.834 5.075 237 HD21 ASN 30 HD21 ASN 30 -6.209 0.238 5.016 238 HD22 ASN 30 HD22 ASN 30 -6.721 1.250 6.314 239 H ILE 31 H ILE 31 -7.917 -2.233 1.674 240 HA ILE 31 HA ILE 31 -8.798 -4.929 1.698 241 HB ILE 31 HB ILE 31 -7.770 -3.270 -0.661 242 HG12 ILE 31 HG12 ILE 31 -10.647 -3.874 0.158 243 HG13 ILE 31 HG13 ILE 31 -9.817 -2.352 0.454 244 HG21 ILE 31 HG21 ILE 31 -7.620 -5.662 -1.201 245 HG22 ILE 31 HG22 ILE 31 -8.906 -4.906 -2.138 246 HG23 ILE 31 HG23 ILE 31 -9.306 -5.896 -0.732 247 HD11 ILE 31 HD11 ILE 31 -10.466 -3.509 -2.258 248 HD12 ILE 31 HD12 ILE 31 -9.619 -1.987 -1.958 249 HD13 ILE 31 HD13 ILE 31 -11.296 -2.180 -1.448 250 H GLY 32 H GLY 32 -5.712 -3.374 0.925 251 HA2 GLY 32 HA2 GLY 32 -4.277 -5.578 -0.059 252 HA3 GLY 32 HA3 GLY 32 -3.592 -4.095 0.582 253 H LEU 33 H LEU 33 -4.637 -4.286 3.236 254 HA LEU 33 HA LEU 33 -2.741 -5.876 4.568 255 HB2 LEU 33 HB2 LEU 33 -5.369 -4.711 5.579 256 HB3 LEU 33 HB3 LEU 33 -4.226 -5.534 6.631 257 HG LEU 33 HG LEU 33 -3.674 -2.964 5.096 258 HD11 LEU 33 HD11 LEU 33 -5.244 -2.605 6.924 259 HD12 LEU 33 HD12 LEU 33 -3.688 -1.861 7.274 260 HD13 LEU 33 HD13 LEU 33 -4.132 -3.376 8.061 261 HD21 LEU 33 HD21 LEU 33 -1.626 -4.288 5.332 262 HD22 LEU 33 HD22 LEU 33 -1.895 -4.438 7.072 263 HD23 LEU 33 HD23 LEU 33 -1.566 -2.858 6.358 264 H GLU 34 H GLU 34 -6.111 -6.483 3.685 265 HA GLU 34 HA GLU 34 -6.248 -9.057 4.958 266 HB2 GLU 34 HB2 GLU 34 -8.141 -7.631 3.052 267 HB3 GLU 34 HB3 GLU 34 -8.462 -9.239 3.701 268 HG2 GLU 34 HG2 GLU 34 -8.197 -6.654 5.261 269 HG3 GLU 34 HG3 GLU 34 -9.652 -7.634 5.051 270 H LYS 35 H LYS 35 -5.409 -7.932 1.721 271 HA LYS 35 HA LYS 35 -5.502 -10.473 0.419 272 HB2 LYS 35 HB2 LYS 35 -3.785 -8.030 -0.196 273 HB3 LYS 35 HB3 LYS 35 -3.959 -9.416 -1.267 274 HG2 LYS 35 HG2 LYS 35 -6.253 -7.647 -0.389 275 HG3 LYS 35 HG3 LYS 35 -5.341 -7.413 -1.879 276 HD2 LYS 35 HD2 LYS 35 -6.112 -9.565 -2.749 277 HD3 LYS 35 HD3 LYS 35 -6.899 -9.953 -1.213 278 HE2 LYS 35 HE2 LYS 35 -8.515 -8.177 -1.523 279 HE3 LYS 35 HE3 LYS 35 -7.653 -7.563 -2.930 280 HZ1 LYS 35 HZ1 LYS 35 -9.634 -8.821 -3.505 281 HZ2 LYS 35 HZ2 LYS 35 -8.981 -10.193 -2.770 282 HZ3 LYS 35 HZ3 LYS 35 -8.235 -9.539 -4.132 283 H ASN 36 H ASN 36 -2.853 -8.663 1.982 284 HA ASN 36 HA ASN 36 -0.804 -10.605 1.684 285 HB2 ASN 36 HB2 ASN 36 -0.493 -8.138 2.216 286 HB3 ASN 36 HB3 ASN 36 -1.047 -8.465 3.850 287 HD21 ASN 36 HD21 ASN 36 0.900 -7.710 4.704 288 HD22 ASN 36 HD22 ASN 36 2.370 -8.611 4.613 289 H LYS 37 H LYS 37 -3.265 -10.069 4.122 290 HA LYS 37 HA LYS 37 -2.521 -11.998 6.057 291 HB2 LYS 37 HB2 LYS 37 -4.007 -10.286 6.745 292 HB3 LYS 37 HB3 LYS 37 -5.074 -10.504 5.378 293 HG2 LYS 37 HG2 LYS 37 -4.885 -12.726 7.390 294 HG3 LYS 37 HG3 LYS 37 -5.748 -11.260 7.849 295 HD2 LYS 37 HD2 LYS 37 -7.170 -11.548 5.763 296 HD3 LYS 37 HD3 LYS 37 -6.390 -13.109 5.512 297 HE2 LYS 37 HE2 LYS 37 -8.550 -13.423 6.599 298 HE3 LYS 37 HE3 LYS 37 -7.264 -13.854 7.729 299 HZ1 LYS 37 HZ1 LYS 37 -8.735 -11.270 7.681 300 HZ2 LYS 37 HZ2 LYS 37 -7.508 -11.679 8.767 301 HZ3 LYS 37 HZ3 LYS 37 -8.972 -12.519 8.797 302 H MET 38 H MET 38 -4.507 -12.190 3.112 303 HA MET 38 HA MET 38 -5.170 -15.013 3.508 304 HB2 MET 38 HB2 MET 38 -5.831 -13.064 1.261 305 HB3 MET 38 HB3 MET 38 -6.348 -14.748 1.264 306 HG2 MET 38 HG2 MET 38 -7.635 -14.352 3.320 307 HG3 MET 38 HG3 MET 38 -7.116 -12.667 3.331 308 HE1 MET 38 HE1 MET 38 -7.282 -11.957 0.155 309 HE2 MET 38 HE2 MET 38 -7.883 -10.881 1.418 310 HE3 MET 38 HE3 MET 38 -8.925 -11.317 0.067 311 H GLY 39 H GLY 39 -2.414 -13.516 2.560 312 HA2 GLY 39 HA2 GLY 39 -0.481 -14.455 1.724 313 HA3 GLY 39 HA3 GLY 39 -1.376 -15.864 1.186 314 H LYS 40 H LYS 40 -3.028 -13.265 0.059 315 HA LYS 40 HA LYS 40 -2.050 -13.440 -2.665 316 HB2 LYS 40 HB2 LYS 40 -4.250 -11.675 -1.492 317 HB3 LYS 40 HB3 LYS 40 -4.006 -12.049 -3.199 318 HG2 LYS 40 HG2 LYS 40 -4.597 -14.384 -2.819 319 HG3 LYS 40 HG3 LYS 40 -4.712 -14.103 -1.078 320 HD2 LYS 40 HD2 LYS 40 -6.603 -12.518 -1.491 321 HD3 LYS 40 HD3 LYS 40 -6.502 -12.879 -3.217 322 HE2 LYS 40 HE2 LYS 40 -7.121 -14.919 -1.046 323 HE3 LYS 40 HE3 LYS 40 -8.319 -14.141 -2.079 324 HZ1 LYS 40 HZ1 LYS 40 -6.120 -15.915 -3.000 325 HZ2 LYS 40 HZ2 LYS 40 -7.248 -15.155 -4.006 326 HZ3 LYS 40 HZ3 LYS 40 -7.756 -16.325 -2.894 327 H ALA 41 H ALA 41 0.062 -12.599 -1.517 328 HA ALA 41 HA ALA 41 0.266 -9.900 -0.641 329 HB1 ALA 41 HB1 ALA 41 2.658 -10.395 -0.461 330 HB2 ALA 41 HB2 ALA 41 2.436 -11.885 -1.381 331 HB3 ALA 41 HB3 ALA 41 1.689 -11.711 0.207 332 H ARG 42 H ARG 42 0.734 -11.506 -3.713 333 HA ARG 42 HA ARG 42 2.060 -9.628 -5.258 334 HB2 ARG 42 HB2 ARG 42 1.658 -11.721 -6.279 335 HB3 ARG 42 HB3 ARG 42 -0.037 -11.730 -5.834 336 HG2 ARG 42 HG2 ARG 42 0.226 -11.530 -8.241 337 HG3 ARG 42 HG3 ARG 42 -0.543 -10.098 -7.572 338 HD2 ARG 42 HD2 ARG 42 2.244 -9.507 -7.639 339 HD3 ARG 42 HD3 ARG 42 1.884 -10.302 -9.174 340 HE ARG 42 HE ARG 42 0.065 -8.169 -8.359 341 HH11 ARG 42 HH11 ARG 42 2.822 -9.050 -10.378 342 HH12 ARG 42 HH12 ARG 42 2.662 -7.665 -11.405 343 HH21 ARG 42 HH21 ARG 42 -0.132 -6.370 -9.729 344 HH22 ARG 42 HH22 ARG 42 0.984 -6.155 -11.034 345 H GLU 43 H GLU 43 -1.467 -9.863 -4.660 346 HA GLU 43 HA GLU 43 -2.001 -7.366 -6.010 347 HB2 GLU 43 HB2 GLU 43 -3.817 -9.200 -4.407 348 HB3 GLU 43 HB3 GLU 43 -4.371 -7.758 -5.260 349 HG2 GLU 43 HG2 GLU 43 -3.164 -10.256 -6.485 350 HG3 GLU 43 HG3 GLU 43 -4.832 -9.703 -6.622 351 H ALA 44 H ALA 44 -1.478 -8.412 -2.717 352 HA ALA 44 HA ALA 44 -2.577 -6.320 -1.228 353 HB1 ALA 44 HB1 ALA 44 -0.042 -7.888 -0.620 354 HB2 ALA 44 HB2 ALA 44 -1.685 -8.396 -0.227 355 HB3 ALA 44 HB3 ALA 44 -0.998 -6.964 0.542 356 H ALA 45 H ALA 45 0.738 -6.722 -2.440 357 HA ALA 45 HA ALA 45 1.843 -4.300 -1.595 358 HB1 ALA 45 HB1 ALA 45 3.638 -4.798 -3.211 359 HB2 ALA 45 HB2 ALA 45 2.628 -6.029 -3.972 360 HB3 ALA 45 HB3 ALA 45 3.178 -6.242 -2.309 361 H GLU 46 H GLU 46 0.033 -5.152 -4.481 362 HA GLU 46 HA GLU 46 0.521 -2.824 -6.032 363 HB2 GLU 46 HB2 GLU 46 -0.398 -5.230 -6.679 364 HB3 GLU 46 HB3 GLU 46 -1.972 -4.541 -6.323 365 HG2 GLU 46 HG2 GLU 46 -0.013 -3.494 -8.389 366 HG3 GLU 46 HG3 GLU 46 -1.394 -4.521 -8.739 367 H TYR 47 H TYR 47 -2.060 -3.786 -3.776 368 HA TYR 47 HA TYR 47 -3.662 -1.447 -3.971 369 HB2 TYR 47 HB2 TYR 47 -3.413 -3.614 -1.851 370 HB3 TYR 47 HB3 TYR 47 -4.481 -2.238 -1.617 371 HD1 TYR 47 HD1 TYR 47 -6.037 -1.767 -3.780 372 HD2 TYR 47 HD2 TYR 47 -4.466 -5.565 -2.658 373 HE1 TYR 47 HE1 TYR 47 -7.861 -2.872 -4.987 374 HE2 TYR 47 HE2 TYR 47 -6.273 -6.679 -3.877 375 HH TYR 47 HH TYR 47 -8.409 -4.980 -5.985 376 H PHE 48 H PHE 48 -0.885 -2.327 -1.931 377 HA PHE 48 HA PHE 48 -0.972 -0.071 -0.182 378 HB2 PHE 48 HB2 PHE 48 1.391 -1.859 -0.928 379 HB3 PHE 48 HB3 PHE 48 1.397 -0.688 0.389 380 HD1 PHE 48 HD1 PHE 48 -1.369 -1.228 1.502 381 HD2 PHE 48 HD2 PHE 48 1.747 -3.890 0.284 382 HE1 PHE 48 HE1 PHE 48 -2.179 -2.901 3.077 383 HE2 PHE 48 HE2 PHE 48 0.916 -5.577 1.861 384 HZ PHE 48 HZ PHE 48 -1.044 -5.088 3.263 385 H PHE 49 H PHE 49 0.448 -0.687 -3.337 386 HA PHE 49 HA PHE 49 2.122 1.606 -3.494 387 HB2 PHE 49 HB2 PHE 49 2.462 -0.343 -4.962 388 HB3 PHE 49 HB3 PHE 49 0.886 -0.088 -5.708 389 HD1 PHE 49 HD2 PHE 49 3.745 2.225 -4.902 390 HD2 PHE 49 HD1 PHE 49 1.206 0.619 -7.955 391 HE1 PHE 49 HE2 PHE 49 4.803 3.674 -6.558 392 HE2 PHE 49 HE1 PHE 49 2.296 2.086 -9.612 393 HZ PHE 49 HZ PHE 49 4.109 3.615 -8.908 394 H ARG 50 H ARG 50 -1.119 0.885 -4.798 395 HA ARG 50 HA ARG 50 -1.570 3.443 -5.932 396 HB2 ARG 50 HB2 ARG 50 -3.497 1.233 -5.153 397 HB3 ARG 50 HB3 ARG 50 -3.976 2.693 -6.014 398 HG2 ARG 50 HG2 ARG 50 -2.310 2.048 -7.818 399 HG3 ARG 50 HG3 ARG 50 -2.151 0.489 -6.999 400 HD2 ARG 50 HD2 ARG 50 -3.774 0.337 -8.827 401 HD3 ARG 50 HD3 ARG 50 -4.584 0.114 -7.274 402 HE ARG 50 HE ARG 50 -4.900 2.752 -7.662 403 HH11 ARG 50 HH11 ARG 50 -5.567 0.074 -9.843 404 HH12 ARG 50 HH12 ARG 50 -6.840 0.914 -10.662 405 HH21 ARG 50 HH21 ARG 50 -6.565 3.821 -8.733 406 HH22 ARG 50 HH22 ARG 50 -7.407 3.037 -10.030 407 H ALA 51 H ALA 51 -2.271 2.063 -2.756 408 HA ALA 51 HA ALA 51 -3.783 4.166 -1.638 409 HB1 ALA 51 HB1 ALA 51 -3.566 1.977 -0.527 410 HB2 ALA 51 HB2 ALA 51 -3.057 3.274 0.554 411 HB3 ALA 51 HB3 ALA 51 -1.846 2.271 -0.250 412 H ALA 52 H ALA 52 -0.279 3.508 -1.721 413 HA ALA 52 HA ALA 52 0.650 5.723 -0.278 414 HB1 ALA 52 HB1 ALA 52 2.848 5.224 -1.265 415 HB2 ALA 52 HB2 ALA 52 2.091 4.183 -2.473 416 HB3 ALA 52 HB3 ALA 52 2.042 3.736 -0.766 417 H ILE 53 H ILE 53 -0.109 5.341 -3.733 418 HA ILE 53 HA ILE 53 0.838 7.766 -4.757 419 HB ILE 53 HB ILE 53 -1.574 6.086 -5.595 420 HG12 ILE 53 HG12 ILE 53 1.165 6.410 -6.903 421 HG13 ILE 53 HG13 ILE 53 0.696 5.052 -5.895 422 HG21 ILE 53 HG21 ILE 53 -2.028 8.382 -6.337 423 HG22 ILE 53 HG22 ILE 53 -1.655 7.363 -7.726 424 HG23 ILE 53 HG23 ILE 53 -0.437 8.474 -7.097 425 HD11 ILE 53 HD11 ILE 53 -0.458 5.776 -8.589 426 HD12 ILE 53 HD12 ILE 53 -1.034 4.459 -7.562 427 HD13 ILE 53 HD13 ILE 53 0.607 4.423 -8.205 428 H VAL 54 H VAL 54 -2.387 7.000 -3.374 429 HA VAL 54 HA VAL 54 -3.513 9.583 -3.719 430 HB VAL 54 HB VAL 54 -4.375 7.466 -1.689 431 HG11 VAL 54 HG11 VAL 54 -6.621 8.541 -1.850 432 HG12 VAL 54 HG12 VAL 54 -5.949 9.772 -2.923 433 HG13 VAL 54 HG13 VAL 54 -5.403 9.670 -1.249 434 HG21 VAL 54 HG21 VAL 54 -4.252 6.523 -3.968 435 HG22 VAL 54 HG22 VAL 54 -5.274 7.826 -4.576 436 HG23 VAL 54 HG23 VAL 54 -5.929 6.653 -3.432 437 H PHE 55 H PHE 55 -1.947 8.017 -0.913 438 HA PHE 55 HA PHE 55 -2.265 10.152 0.928 439 HB2 PHE 55 HB2 PHE 55 -0.252 7.869 0.879 440 HB3 PHE 55 HB3 PHE 55 -0.380 9.015 2.211 441 HD1 PHE 55 HD1 PHE 55 -3.037 9.309 2.989 442 HD2 PHE 55 HD2 PHE 55 -1.240 5.794 1.324 443 HE1 PHE 55 HE1 PHE 55 -4.726 7.900 4.102 444 HE2 PHE 55 HE2 PHE 55 -2.931 4.408 2.429 445 HZ PHE 55 HZ PHE 55 -4.669 5.457 3.821 446 H TYR 56 H TYR 56 0.159 9.513 -1.549 447 HA TYR 56 HA TYR 56 2.045 11.515 -0.734 448 HB2 TYR 56 HB2 TYR 56 2.808 9.697 -2.134 449 HB3 TYR 56 HB3 TYR 56 1.583 10.035 -3.353 450 HD1 TYR 56 HD2 TYR 56 4.404 11.862 -1.625 451 HD2 TYR 56 HD1 TYR 56 2.346 11.091 -5.297 452 HE1 TYR 56 HE2 TYR 56 5.997 13.287 -2.818 453 HE2 TYR 56 HE1 TYR 56 3.932 12.520 -6.480 454 HH TYR 56 HH TYR 56 6.857 13.616 -5.094 455 H LYS 57 H LYS 57 -0.563 11.411 -3.166 456 HA LYS 57 HA LYS 57 -0.573 14.043 -4.050 457 HB2 LYS 57 HB2 LYS 57 -2.654 11.879 -3.887 458 HB3 LYS 57 HB3 LYS 57 -3.261 13.509 -4.137 459 HG2 LYS 57 HG2 LYS 57 -3.009 12.367 -6.263 460 HG3 LYS 57 HG3 LYS 57 -1.895 13.730 -6.157 461 HD2 LYS 57 HD2 LYS 57 -0.043 12.149 -5.615 462 HD3 LYS 57 HD3 LYS 57 -1.168 10.797 -5.764 463 HE2 LYS 57 HE2 LYS 57 0.185 11.040 -7.792 464 HE3 LYS 57 HE3 LYS 57 -1.514 11.357 -8.151 465 HZ1 LYS 57 HZ1 LYS 57 -1.074 13.714 -8.120 466 HZ2 LYS 57 HZ2 LYS 57 0.011 12.969 -9.182 467 HZ3 LYS 57 HZ3 LYS 57 0.532 13.460 -7.652 468 H GLU 58 H GLU 58 -1.933 12.682 -1.108 469 HA GLU 58 HA GLU 58 -3.113 15.197 -0.263 470 HB2 GLU 58 HB2 GLU 58 -2.845 12.565 1.255 471 HB3 GLU 58 HB3 GLU 58 -3.808 13.951 1.764 472 HG2 GLU 58 HG2 GLU 58 -4.296 12.115 -0.587 473 HG3 GLU 58 HG3 GLU 58 -5.310 12.344 0.834 474 H HIS 59 H HIS 59 -0.044 13.814 -0.147 475 HA HIS 59 HA HIS 59 1.900 14.152 0.905 476 HB2 HIS 59 HB2 HIS 59 0.631 16.837 1.566 477 HB3 HIS 59 HB3 HIS 59 2.334 16.472 1.826 478 HD1 HIS 59 HD1 HIS 59 3.865 16.391 -0.216 479 HD2 HIS 59 HD2 HIS 59 -0.101 17.115 -1.173 480 HE1 HIS 59 HE1 HIS 59 3.867 17.056 -2.632 481 HE2 HIS 59 HE2 HIS 59 1.477 17.700 -3.113 482 H ASP 60 H ASP 60 -0.246 12.868 2.249 483 HA ASP 60 HA ASP 60 -0.016 13.253 5.101 484 HB2 ASP 60 HB2 ASP 60 -2.146 12.531 4.022 485 HB3 ASP 60 HB3 ASP 60 -1.353 11.089 3.403 486 H THR 61 H THR 61 2.119 12.896 5.637 487 HA THR 61 HA THR 61 3.826 10.916 4.583 488 HB THR 61 HB THR 61 5.287 11.474 6.638 489 HG1 THR 61 HG1 THR 61 4.469 12.703 8.158 490 HG21 THR 61 HG21 THR 61 4.340 13.801 4.923 491 HG22 THR 61 HG22 THR 61 5.605 12.641 4.498 492 HG23 THR 61 HG23 THR 61 5.841 13.744 5.853 493 H ASP 62 H ASP 62 1.508 10.785 7.230 494 HA ASP 62 HA ASP 62 2.431 8.520 8.613 495 HB2 ASP 62 HB2 ASP 62 -0.334 9.724 8.256 496 HB3 ASP 62 HB3 ASP 62 -0.168 8.180 9.084 497 H GLY 63 H GLY 63 0.027 8.708 6.008 498 HA2 GLY 63 HA2 GLY 63 -0.388 5.874 5.882 499 HA3 GLY 63 HA3 GLY 63 -1.084 7.099 4.836 500 H LEU 64 H LEU 64 1.343 8.258 3.897 501 HA LEU 64 HA LEU 64 1.960 6.618 1.683 502 HB2 LEU 64 HB2 LEU 64 2.235 9.025 1.538 503 HB3 LEU 64 HB3 LEU 64 3.367 9.032 2.880 504 HG LEU 64 HG LEU 64 5.036 7.800 1.440 505 HD11 LEU 64 HD11 LEU 64 4.724 7.675 -0.976 506 HD12 LEU 64 HD12 LEU 64 3.074 8.283 -0.811 507 HD13 LEU 64 HD13 LEU 64 3.515 6.714 -0.126 508 HD21 LEU 64 HD21 LEU 64 5.159 10.222 1.688 509 HD22 LEU 64 HD22 LEU 64 4.086 10.437 0.300 510 HD23 LEU 64 HD23 LEU 64 5.685 9.716 0.087 511 H ARG 65 H ARG 65 3.813 7.372 4.634 512 HA ARG 65 HA ARG 65 6.080 5.769 4.126 513 HB2 ARG 65 HB2 ARG 65 5.948 7.606 5.837 514 HB3 ARG 65 HB3 ARG 65 4.930 6.572 6.834 515 HG2 ARG 65 HG2 ARG 65 6.761 4.993 7.155 516 HG3 ARG 65 HG3 ARG 65 7.769 5.880 6.008 517 HD2 ARG 65 HD2 ARG 65 7.609 7.876 7.562 518 HD3 ARG 65 HD3 ARG 65 6.831 6.811 8.735 519 HE ARG 65 HE ARG 65 9.025 5.439 8.342 520 HH11 ARG 65 HH11 ARG 65 8.757 8.945 8.639 521 HH12 ARG 65 HH12 ARG 65 10.350 9.120 9.302 522 HH21 ARG 65 HH21 ARG 65 11.113 5.718 9.214 523 HH22 ARG 65 HH22 ARG 65 11.669 7.307 9.625 524 H ARG 66 H ARG 66 3.081 5.179 5.914 525 HA ARG 66 HA ARG 66 3.731 2.626 6.955 526 HB2 ARG 66 HB2 ARG 66 1.935 4.240 7.783 527 HB3 ARG 66 HB3 ARG 66 0.942 3.729 6.421 528 HG2 ARG 66 HG2 ARG 66 1.048 1.380 7.306 529 HG3 ARG 66 HG3 ARG 66 1.929 1.993 8.708 530 HD2 ARG 66 HD2 ARG 66 -0.896 2.711 7.881 531 HD3 ARG 66 HD3 ARG 66 -0.420 1.711 9.257 532 HE ARG 66 HE ARG 66 0.786 4.264 9.479 533 HH11 ARG 66 HH11 ARG 66 -2.379 2.740 9.782 534 HH12 ARG 66 HH12 ARG 66 -2.964 3.926 10.903 535 HH21 ARG 66 HH21 ARG 66 -0.015 5.802 10.938 536 HH22 ARG 66 HH22 ARG 66 -1.628 5.664 11.558 537 H ALA 67 H ALA 67 2.218 3.690 3.953 538 HA ALA 67 HA ALA 67 1.349 1.119 3.043 539 HB1 ALA 67 HB1 ALA 67 0.307 3.185 2.220 540 HB2 ALA 67 HB2 ALA 67 0.966 2.240 0.886 541 HB3 ALA 67 HB3 ALA 67 1.830 3.667 1.462 542 H ALA 68 H ALA 68 4.268 3.094 2.614 543 HA ALA 68 HA ALA 68 5.639 1.444 0.740 544 HB1 ALA 68 HB1 ALA 68 7.650 2.712 1.417 545 HB2 ALA 68 HB2 ALA 68 6.779 3.374 2.805 546 HB3 ALA 68 HB3 ALA 68 6.279 3.794 1.165 547 H LYS 69 H LYS 69 5.632 1.609 4.275 548 HA LYS 69 HA LYS 69 7.522 -0.358 4.926 549 HB2 LYS 69 HB2 LYS 69 5.049 0.562 6.435 550 HB3 LYS 69 HB3 LYS 69 6.274 -0.503 7.121 551 HG2 LYS 69 HG2 LYS 69 7.971 1.252 6.946 552 HG3 LYS 69 HG3 LYS 69 6.825 2.314 6.124 553 HD2 LYS 69 HD2 LYS 69 7.042 2.955 8.482 554 HD3 LYS 69 HD3 LYS 69 5.406 2.372 8.153 555 HE2 LYS 69 HE2 LYS 69 6.205 1.481 10.281 556 HE3 LYS 69 HE3 LYS 69 6.041 0.162 9.118 557 HZ1 LYS 69 HZ1 LYS 69 8.107 0.065 10.416 558 HZ2 LYS 69 HZ2 LYS 69 8.598 1.539 9.753 559 HZ3 LYS 69 HZ3 LYS 69 8.396 0.185 8.756 560 H SER 70 H SER 70 4.001 -0.582 4.469 561 HA SER 70 HA SER 70 3.795 -3.368 5.076 562 HB2 SER 70 HB2 SER 70 1.962 -1.471 5.200 563 HB3 SER 70 HB3 SER 70 1.712 -1.827 3.493 564 HG SER 70 HG SER 70 1.595 -4.135 4.373 565 H LEU 71 H LEU 71 4.358 -1.474 2.204 566 HA LEU 71 HA LEU 71 3.627 -3.272 0.175 567 HB2 LEU 71 HB2 LEU 71 4.526 -0.663 0.285 568 HB3 LEU 71 HB3 LEU 71 5.922 -1.448 -0.405 569 HG LEU 71 HG LEU 71 3.142 -1.703 -1.604 570 HD11 LEU 71 HD11 LEU 71 3.789 0.038 -3.215 571 HD12 LEU 71 HD12 LEU 71 5.263 0.343 -2.292 572 HD13 LEU 71 HD13 LEU 71 3.683 0.649 -1.567 573 HD21 LEU 71 HD21 LEU 71 4.734 -3.431 -2.316 574 HD22 LEU 71 HD22 LEU 71 5.871 -2.185 -2.838 575 HD23 LEU 71 HD23 LEU 71 4.309 -2.357 -3.644 576 H LYS 72 H LYS 72 6.831 -2.562 1.604 577 HA LYS 72 HA LYS 72 8.307 -4.444 0.085 578 HB2 LYS 72 HB2 LYS 72 10.170 -3.967 1.590 579 HB3 LYS 72 HB3 LYS 72 9.322 -2.468 1.220 580 HG2 LYS 72 HG2 LYS 72 8.159 -2.609 3.409 581 HG3 LYS 72 HG3 LYS 72 9.063 -4.079 3.777 582 HD2 LYS 72 HD2 LYS 72 11.187 -2.751 3.606 583 HD3 LYS 72 HD3 LYS 72 10.217 -1.292 3.369 584 HE2 LYS 72 HE2 LYS 72 10.915 -1.470 5.711 585 HE3 LYS 72 HE3 LYS 72 9.164 -1.659 5.598 586 HZ1 LYS 72 HZ1 LYS 72 9.495 -4.082 5.720 587 HZ2 LYS 72 HZ2 LYS 72 10.092 -3.288 7.090 588 HZ3 LYS 72 HZ3 LYS 72 11.159 -3.840 5.905 589 H GLU 73 H GLU 73 6.545 -4.735 3.105 590 HA GLU 73 HA GLU 73 7.583 -7.273 3.945 591 HB2 GLU 73 HB2 GLU 73 5.008 -5.832 4.721 592 HB3 GLU 73 HB3 GLU 73 5.673 -7.241 5.547 593 HG2 GLU 73 HG2 GLU 73 7.651 -5.966 6.222 594 HG3 GLU 73 HG3 GLU 73 7.090 -4.570 5.306 595 H ALA 74 H ALA 74 4.799 -6.187 2.045 596 HA ALA 74 HA ALA 74 3.601 -8.730 1.641 597 HB1 ALA 74 HB1 ALA 74 2.375 -7.642 -0.205 598 HB2 ALA 74 HB2 ALA 74 3.434 -6.233 -0.091 599 HB3 ALA 74 HB3 ALA 74 2.359 -6.639 1.248 600 H ILE 75 H ILE 75 6.175 -6.927 -0.036 601 HA ILE 75 HA ILE 75 6.335 -8.548 -2.367 602 HB ILE 75 HB ILE 75 8.434 -6.716 -1.146 603 HG12 ILE 75 HG12 ILE 75 6.623 -6.165 -3.534 604 HG13 ILE 75 HG13 ILE 75 6.156 -5.752 -1.889 605 HG21 ILE 75 HG21 ILE 75 9.524 -6.704 -3.377 606 HG22 ILE 75 HG22 ILE 75 8.364 -7.901 -3.958 607 HG23 ILE 75 HG23 ILE 75 9.517 -8.330 -2.692 608 HD11 ILE 75 HD11 ILE 75 8.637 -4.725 -3.231 609 HD12 ILE 75 HD12 ILE 75 7.960 -4.227 -1.680 610 HD13 ILE 75 HD13 ILE 75 7.091 -3.888 -3.172 611 H THR 76 H THR 76 8.119 -8.643 0.717 612 HA THR 76 HA THR 76 9.829 -10.804 0.102 613 HB THR 76 HB THR 76 9.989 -11.138 2.605 614 HG1 THR 76 HG1 THR 76 7.805 -10.471 3.087 615 HG21 THR 76 HG21 THR 76 10.219 -8.243 1.689 616 HG22 THR 76 HG22 THR 76 11.458 -9.488 1.503 617 HG23 THR 76 HG23 THR 76 10.994 -8.940 3.114 618 H ALA 77 H ALA 77 6.449 -10.670 0.884 619 HA ALA 77 HA ALA 77 6.174 -13.534 1.381 620 HB1 ALA 77 HB1 ALA 77 3.816 -13.002 1.839 621 HB2 ALA 77 HB2 ALA 77 4.081 -11.332 1.334 622 HB3 ALA 77 HB3 ALA 77 4.894 -11.957 2.770 623 H ILE 78 H ILE 78 5.926 -11.344 -1.362 624 HA ILE 78 HA ILE 78 3.977 -12.731 -2.907 625 HB ILE 78 HB ILE 78 6.296 -11.070 -4.019 626 HG12 ILE 78 HG12 ILE 78 3.425 -10.212 -3.469 627 HG13 ILE 78 HG13 ILE 78 4.817 -9.751 -2.509 628 HG21 ILE 78 HG21 ILE 78 3.703 -11.947 -5.379 629 HG22 ILE 78 HG22 ILE 78 5.320 -12.555 -5.743 630 HG23 ILE 78 HG23 ILE 78 4.920 -10.874 -6.082 631 HD11 ILE 78 HD11 ILE 78 4.355 -8.995 -5.391 632 HD12 ILE 78 HD12 ILE 78 5.733 -8.507 -4.394 633 HD13 ILE 78 HD13 ILE 78 4.106 -7.962 -3.986 634 HA PRO 79 HA PRO 79 6.455 -16.482 -4.046 635 HB2 PRO 79 HB2 PRO 79 4.046 -16.587 -5.895 636 HB3 PRO 79 HB3 PRO 79 4.804 -17.900 -4.961 637 HG2 PRO 79 HG2 PRO 79 2.542 -16.856 -4.096 638 HG3 PRO 79 HG3 PRO 79 3.848 -17.195 -2.931 639 HD2 PRO 79 HD2 PRO 79 3.017 -14.547 -4.114 640 HD3 PRO 79 HD3 PRO 79 3.514 -14.929 -2.451 641 H GLU 80 H GLU 80 8.142 -16.189 -5.370 642 HA GLU 80 HA GLU 80 8.337 -14.103 -7.281 643 HB2 GLU 80 HB2 GLU 80 10.245 -14.982 -5.891 644 HB3 GLU 80 HB3 GLU 80 10.240 -16.448 -6.870 645 HG2 GLU 80 HG2 GLU 80 10.793 -15.111 -8.878 646 HG3 GLU 80 HG3 GLU 80 10.783 -13.640 -7.904 647 H GLU 81 H GLU 81 6.723 -14.460 -8.768 648 HA GLU 81 HA GLU 81 7.160 -15.948 -11.100 649 HB2 GLU 81 HB2 GLU 81 6.543 -17.879 -9.580 650 HB3 GLU 81 HB3 GLU 81 4.983 -17.118 -9.280 651 HG2 GLU 81 HG2 GLU 81 4.376 -17.369 -11.651 652 HG3 GLU 81 HG3 GLU 81 5.966 -18.057 -11.997 653 H GLU 82 H GLU 82 4.616 -14.801 -8.916 654 HA GLU 82 HA GLU 82 2.788 -13.933 -10.952 655 HB2 GLU 82 HB2 GLU 82 2.840 -13.139 -8.009 656 HB3 GLU 82 HB3 GLU 82 1.453 -13.095 -9.099 657 HG2 GLU 82 HG2 GLU 82 1.430 -15.541 -9.222 658 HG3 GLU 82 HG3 GLU 82 2.877 -15.625 -8.211 659 H GLY 83 H GLY 83 4.892 -12.204 -8.637 660 HA2 GLY 83 HA2 GLY 83 5.004 -9.846 -10.414 661 HA3 GLY 83 HA3 GLY 83 4.417 -9.625 -8.766 662 H ARG 84 H ARG 84 5.820 -9.758 -7.055 663 HA ARG 84 HA ARG 84 7.679 -9.730 -5.815 664 HB2 ARG 84 HB2 ARG 84 7.811 -12.106 -6.545 665 HB3 ARG 84 HB3 ARG 84 8.799 -11.617 -7.912 666 HG2 ARG 84 HG2 ARG 84 10.249 -12.537 -6.226 667 HG3 ARG 84 HG3 ARG 84 10.547 -10.801 -6.313 668 HD2 ARG 84 HD2 ARG 84 9.126 -10.479 -4.297 669 HD3 ARG 84 HD3 ARG 84 8.863 -12.229 -4.224 670 HE ARG 84 HE ARG 84 11.623 -11.267 -4.167 671 HH11 ARG 84 HH11 ARG 84 8.920 -12.532 -2.301 672 HH12 ARG 84 HH12 ARG 84 9.909 -12.971 -0.944 673 HH21 ARG 84 HH21 ARG 84 12.904 -11.869 -2.389 674 HH22 ARG 84 HH22 ARG 84 12.163 -12.592 -1.001 675 H LYS 85 H LYS 85 9.354 -9.989 -8.975 676 HA LYS 85 HA LYS 85 11.343 -8.068 -8.357 677 HB2 LYS 85 HB2 LYS 85 11.661 -9.945 -9.954 678 HB3 LYS 85 HB3 LYS 85 10.491 -9.219 -11.051 679 HG2 LYS 85 HG2 LYS 85 12.002 -7.256 -11.331 680 HG3 LYS 85 HG3 LYS 85 13.181 -8.035 -10.266 681 HD2 LYS 85 HD2 LYS 85 13.348 -9.938 -11.885 682 HD3 LYS 85 HD3 LYS 85 12.216 -9.110 -12.958 683 HE2 LYS 85 HE2 LYS 85 13.821 -7.244 -13.195 684 HE3 LYS 85 HE3 LYS 85 14.950 -8.080 -12.125 685 HZ1 LYS 85 HZ1 LYS 85 15.046 -9.893 -13.735 686 HZ2 LYS 85 HZ2 LYS 85 15.546 -8.434 -14.426 687 HZ3 LYS 85 HZ3 LYS 85 14.006 -9.053 -14.772 688 H GLU 86 H GLU 86 8.680 -7.934 -10.766 689 HA GLU 86 HA GLU 86 8.881 -5.207 -11.445 690 HB2 GLU 86 HB2 GLU 86 6.585 -5.466 -12.380 691 HB3 GLU 86 HB3 GLU 86 7.631 -6.807 -12.839 692 HG2 GLU 86 HG2 GLU 86 6.602 -8.253 -11.173 693 HG3 GLU 86 HG3 GLU 86 5.638 -6.918 -10.555 694 H ALA 87 H ALA 87 7.174 -6.874 -8.889 695 HA ALA 87 HA ALA 87 5.520 -4.701 -8.031 696 HB1 ALA 87 HB1 ALA 87 4.867 -6.232 -6.220 697 HB2 ALA 87 HB2 ALA 87 6.162 -7.342 -6.679 698 HB3 ALA 87 HB3 ALA 87 4.823 -7.042 -7.789 699 H LYS 88 H LYS 88 8.731 -5.809 -7.274 700 HA LYS 88 HA LYS 88 9.072 -4.714 -4.711 701 HB2 LYS 88 HB2 LYS 88 10.541 -6.452 -5.685 702 HB3 LYS 88 HB3 LYS 88 11.203 -5.261 -6.804 703 HG2 LYS 88 HG2 LYS 88 12.227 -4.021 -5.023 704 HG3 LYS 88 HG3 LYS 88 11.346 -4.926 -3.786 705 HD2 LYS 88 HD2 LYS 88 12.574 -6.977 -4.434 706 HD3 LYS 88 HD3 LYS 88 13.489 -6.053 -5.633 707 HE2 LYS 88 HE2 LYS 88 14.808 -6.338 -3.583 708 HE3 LYS 88 HE3 LYS 88 14.397 -4.636 -3.810 709 HZ1 LYS 88 HZ1 LYS 88 12.626 -4.875 -2.197 710 HZ2 LYS 88 HZ2 LYS 88 14.102 -5.353 -1.518 711 HZ3 LYS 88 HZ3 LYS 88 12.978 -6.519 -2.007 712 H GLU 89 H GLU 89 9.417 -3.427 -7.927 713 HA GLU 89 HA GLU 89 10.761 -1.025 -7.464 714 HB2 GLU 89 HB2 GLU 89 8.717 -1.780 -9.585 715 HB3 GLU 89 HB3 GLU 89 9.638 -0.278 -9.617 716 HG2 GLU 89 HG2 GLU 89 10.771 -3.086 -9.776 717 HG3 GLU 89 HG3 GLU 89 10.646 -1.927 -11.098 718 H MET 90 H MET 90 7.444 -1.900 -6.865 719 HA MET 90 HA MET 90 6.311 0.715 -6.784 720 HB2 MET 90 HB2 MET 90 5.357 -1.859 -5.483 721 HB3 MET 90 HB3 MET 90 4.392 -0.403 -5.684 722 HG2 MET 90 HG2 MET 90 4.674 -0.648 -8.169 723 HG3 MET 90 HG3 MET 90 5.447 -2.208 -7.874 724 HE1 MET 90 HE1 MET 90 3.604 -3.095 -5.268 725 HE2 MET 90 HE2 MET 90 4.144 -4.205 -6.527 726 HE3 MET 90 HE3 MET 90 2.437 -4.115 -6.110 727 H ALA 91 H ALA 91 7.680 -1.444 -4.273 728 HA ALA 91 HA ALA 91 7.193 0.183 -1.999 729 HB1 ALA 91 HB1 ALA 91 9.041 -1.112 -0.928 730 HB2 ALA 91 HB2 ALA 91 9.419 -1.829 -2.504 731 HB3 ALA 91 HB3 ALA 91 7.858 -2.138 -1.741 732 H LYS 92 H LYS 92 9.812 0.015 -4.342 733 HA LYS 92 HA LYS 92 11.585 1.902 -3.209 734 HB2 LYS 92 HB2 LYS 92 11.213 1.053 -6.113 735 HB3 LYS 92 HB3 LYS 92 12.605 1.941 -5.490 736 HG2 LYS 92 HG2 LYS 92 13.281 0.063 -4.118 737 HG3 LYS 92 HG3 LYS 92 11.796 -0.815 -4.505 738 HD2 LYS 92 HD2 LYS 92 13.714 -1.687 -5.787 739 HD3 LYS 92 HD3 LYS 92 12.483 -1.009 -6.853 740 HE2 LYS 92 HE2 LYS 92 13.836 1.041 -7.118 741 HE3 LYS 92 HE3 LYS 92 15.052 0.388 -6.015 742 HZ1 LYS 92 HZ1 LYS 92 14.293 -0.710 -8.670 743 HZ2 LYS 92 HZ2 LYS 92 15.356 -1.464 -7.594 744 HZ3 LYS 92 HZ3 LYS 92 15.759 0.038 -8.258 745 H LYS 93 H LYS 93 8.888 2.214 -5.509 746 HA LYS 93 HA LYS 93 9.201 4.947 -6.202 747 HB2 LYS 93 HB2 LYS 93 6.887 2.993 -6.279 748 HB3 LYS 93 HB3 LYS 93 6.580 4.687 -6.632 749 HG2 LYS 93 HG2 LYS 93 8.643 3.044 -8.133 750 HG3 LYS 93 HG3 LYS 93 6.954 3.178 -8.643 751 HD2 LYS 93 HD2 LYS 93 7.194 5.632 -8.842 752 HD3 LYS 93 HD3 LYS 93 8.859 5.525 -8.283 753 HE2 LYS 93 HE2 LYS 93 7.790 4.306 -10.851 754 HE3 LYS 93 HE3 LYS 93 8.720 5.798 -10.734 755 HZ1 LYS 93 HZ1 LYS 93 10.546 4.465 -9.758 756 HZ2 LYS 93 HZ2 LYS 93 10.180 4.046 -11.353 757 HZ3 LYS 93 HZ3 LYS 93 9.662 3.057 -10.081 758 H ALA 94 H ALA 94 7.261 3.327 -3.711 759 HA ALA 94 HA ALA 94 6.050 5.636 -2.598 760 HB1 ALA 94 HB1 ALA 94 5.347 4.135 -0.782 761 HB2 ALA 94 HB2 ALA 94 6.469 2.897 -1.353 762 HB3 ALA 94 HB3 ALA 94 5.098 3.375 -2.358 763 H GLU 95 H GLU 95 9.087 3.987 -1.977 764 HA GLU 95 HA GLU 95 9.781 5.371 0.446 765 HB2 GLU 95 HB2 GLU 95 10.576 3.050 -0.347 766 HB3 GLU 95 HB3 GLU 95 11.669 3.879 -1.439 767 HG2 GLU 95 HG2 GLU 95 11.739 4.396 1.545 768 HG3 GLU 95 HG3 GLU 95 12.559 3.003 0.857 769 H GLU 96 H GLU 96 10.373 5.843 -3.011 770 HA GLU 96 HA GLU 96 12.238 7.980 -2.871 771 HB2 GLU 96 HB2 GLU 96 10.246 7.154 -5.021 772 HB3 GLU 96 HB3 GLU 96 11.315 8.533 -5.232 773 HG2 GLU 96 HG2 GLU 96 12.239 5.682 -4.775 774 HG3 GLU 96 HG3 GLU 96 12.116 6.464 -6.347 775 H TRP 97 H TRP 97 8.679 7.871 -3.035 776 HA TRP 97 HA TRP 97 8.182 10.663 -3.033 777 HB2 TRP 97 HB2 TRP 97 6.415 8.369 -2.078 778 HB3 TRP 97 HB3 TRP 97 5.861 10.021 -2.318 779 HD1 TRP 97 HD1 TRP 97 7.512 10.361 -5.175 780 HE1 TRP 97 HE1 TRP 97 6.495 9.249 -7.251 781 HE3 TRP 97 HE3 TRP 97 4.416 7.011 -2.879 782 HZ2 TRP 97 HZ2 TRP 97 4.637 7.233 -7.845 783 HZ3 TRP 97 HZ3 TRP 97 3.038 5.532 -4.280 784 HH2 TRP 97 HH2 TRP 97 3.153 5.650 -6.717 785 H LEU 98 H LEU 98 8.589 8.260 -0.488 786 HA LEU 98 HA LEU 98 7.874 9.739 1.769 787 HB2 LEU 98 HB2 LEU 98 8.247 7.301 1.766 788 HB3 LEU 98 HB3 LEU 98 9.958 7.549 1.469 789 HG LEU 98 HG LEU 98 10.205 8.604 3.713 790 HD11 LEU 98 HD11 LEU 98 7.274 7.937 4.088 791 HD12 LEU 98 HD12 LEU 98 7.975 9.555 3.964 792 HD13 LEU 98 HD13 LEU 98 8.373 8.528 5.339 793 HD21 LEU 98 HD21 LEU 98 8.902 5.860 3.812 794 HD22 LEU 98 HD22 LEU 98 9.935 6.570 5.057 795 HD23 LEU 98 HD23 LEU 98 10.605 6.194 3.472 796 H GLN 99 H GLN 99 11.035 9.434 0.109 797 HA GLN 99 HA GLN 99 12.603 11.095 1.765 798 HB2 GLN 99 HB2 GLN 99 12.866 10.691 -1.247 799 HB3 GLN 99 HB3 GLN 99 14.125 11.332 -0.195 800 HG2 GLN 99 HG2 GLN 99 14.344 9.193 0.930 801 HG3 GLN 99 HG3 GLN 99 12.973 8.535 0.034 802 HE21 GLN 99 HE21 GLN 99 14.067 6.904 -1.013 803 HE22 GLN 99 HE22 GLN 99 15.303 7.177 -2.191 804 H ALA 100 H ALA 100 10.672 11.818 -1.122 805 HA ALA 100 HA ALA 100 11.284 14.550 -1.434 806 HB1 ALA 100 HB1 ALA 100 8.773 13.059 -2.282 807 HB2 ALA 100 HB2 ALA 100 10.270 13.180 -3.213 808 HB3 ALA 100 HB3 ALA 100 9.301 14.623 -2.899 809 H GLU 101 H GLU 101 9.017 12.917 0.672 810 HA GLU 101 HA GLU 101 7.549 15.310 1.425 811 HB2 GLU 101 HB2 GLU 101 7.450 12.437 2.426 812 HB3 GLU 101 HB3 GLU 101 6.429 13.725 3.061 813 HG2 GLU 101 HG2 GLU 101 6.435 12.668 0.222 814 HG3 GLU 101 HG3 GLU 101 5.198 12.402 1.446 815 H GLN 102 H GLN 102 10.499 13.920 2.426 816 HA GLN 102 HA GLN 102 10.369 14.868 5.182 817 HB2 GLN 102 HB2 GLN 102 12.811 13.873 3.641 818 HB3 GLN 102 HB3 GLN 102 12.688 14.101 5.383 819 HG2 GLN 102 HG2 GLN 102 11.177 12.063 3.733 820 HG3 GLN 102 HG3 GLN 102 12.543 11.729 4.793 821 HE21 GLN 102 HE21 GLN 102 9.820 10.665 4.767 822 HE22 GLN 102 HE22 GLN 102 9.179 10.961 6.342 823 H ASN 103 H ASN 103 10.470 16.973 5.562 824 HA ASN 103 HA ASN 103 11.653 18.924 3.816 825 HB2 ASN 103 HB2 ASN 103 11.106 20.554 5.669 826 HB3 ASN 103 HB3 ASN 103 9.740 19.590 5.129 827 HD21 ASN 103 HD21 ASN 103 8.507 19.717 6.951 828 HD22 ASN 103 HD22 ASN 103 8.976 19.086 8.490 829 H ASN 104 H ASN 104 12.733 17.122 6.598 830 HA ASN 104 HA ASN 104 15.153 18.597 7.074 831 HB2 ASN 104 HB2 ASN 104 15.771 16.628 8.526 832 HB3 ASN 104 HB3 ASN 104 14.214 17.338 8.918 833 HD21 ASN 104 HD21 ASN 104 15.813 14.537 7.541 834 HD22 ASN 104 HD22 ASN 104 14.446 13.488 7.622
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