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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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653207 |
7a58 ![]() ![]() |
34487 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 VAL 1 1H VAL 1 -14.039 12.772 9.507 2 H2 VAL 1 2H VAL 1 -14.714 13.927 8.557 3 H3 VAL 1 3H VAL 1 -13.388 14.286 9.438 4 HA VAL 1 HA VAL 1 -12.725 14.041 7.203 5 HB VAL 1 HB VAL 1 -11.297 13.202 9.118 6 HG11 VAL 1 1HG1 VAL 1 -11.882 10.430 8.017 7 HG12 VAL 1 2HG1 VAL 1 -10.791 10.884 9.337 8 HG13 VAL 1 3HG1 VAL 1 -12.531 11.057 9.549 9 HG21 VAL 1 1HG2 VAL 1 -10.452 13.680 6.872 10 HG22 VAL 1 2HG2 VAL 1 -9.586 12.340 7.639 11 HG23 VAL 1 3HG2 VAL 1 -10.781 12.003 6.378 12 H THR 2 H THR 2 -12.769 12.926 5.155 13 HA THR 2 HA THR 2 -15.010 11.189 4.645 14 HB THR 2 HB THR 2 -12.542 11.834 2.985 15 HG1 THR 2 HG1 THR 2 -14.097 13.099 1.877 16 HG21 THR 2 1HG2 THR 2 -13.852 11.027 1.042 17 HG22 THR 2 2HG2 THR 2 -13.495 9.710 2.150 18 HG23 THR 2 3HG2 THR 2 -15.123 10.433 2.135 19 H LYS 3 H LYS 3 -15.158 8.994 4.431 20 HA LYS 3 HA LYS 3 -13.470 7.383 6.060 21 HB2 LYS 3 2HB LYS 3 -15.845 6.982 5.695 22 HB3 LYS 3 3HB LYS 3 -15.559 6.616 3.986 23 HG2 LYS 3 2HG LYS 3 -14.292 4.606 4.602 24 HG3 LYS 3 3HG LYS 3 -14.453 5.012 6.327 25 HD2 LYS 3 2HD LYS 3 -16.883 4.734 6.196 26 HD3 LYS 3 3HD LYS 3 -16.789 4.505 4.448 27 HE2 LYS 3 2HE LYS 3 -17.151 2.386 5.549 28 HE3 LYS 3 3HE LYS 3 -15.602 2.396 4.709 29 HZ1 LYS 3 1HZ LYS 3 -15.679 1.456 7.036 30 HZ2 LYS 3 2HZ LYS 3 -14.464 2.570 6.783 31 HZ3 LYS 3 3HZ LYS 3 -15.818 2.963 7.614 32 H LYS 4 H LYS 4 -11.822 6.063 5.705 33 HA LYS 4 HA LYS 4 -10.363 6.118 3.169 34 HB2 LYS 4 2HB LYS 4 -9.785 4.549 5.722 35 HB3 LYS 4 3HB LYS 4 -8.700 4.741 4.332 36 HG2 LYS 4 2HG LYS 4 -8.975 7.278 4.680 37 HG3 LYS 4 3HG LYS 4 -9.736 6.877 6.201 38 HD2 LYS 4 2HD LYS 4 -7.445 7.435 6.659 39 HD3 LYS 4 3HD LYS 4 -7.646 5.692 6.914 40 HE2 LYS 4 2HE LYS 4 -6.698 5.266 4.657 41 HE3 LYS 4 3HE LYS 4 -6.510 7.005 4.390 42 HZ1 LYS 4 1HZ LYS 4 -4.826 7.082 6.044 43 HZ2 LYS 4 2HZ LYS 4 -5.236 5.613 6.670 44 HZ3 LYS 4 3HZ LYS 4 -4.501 5.713 5.201 45 H ALA 5 H ALA 5 -9.562 4.253 2.118 46 HA ALA 5 HA ALA 5 -11.666 2.274 1.565 47 HB1 ALA 5 1HB ALA 5 -10.179 1.408 -0.144 48 HB2 ALA 5 2HB ALA 5 -10.261 3.175 -0.277 49 HB3 ALA 5 3HB ALA 5 -8.841 2.393 0.463 50 H SER 6 H SER 6 -11.777 0.193 2.274 51 HA SER 6 HA SER 6 -10.070 -0.779 4.404 52 HB2 SER 6 2HB SER 6 -11.352 -2.862 4.136 53 HB3 SER 6 3HB SER 6 -12.417 -1.449 4.181 54 HG SER 6 HG SER 6 -13.160 -2.503 2.494 55 H HIS 7 H HIS 7 -8.805 -2.821 4.253 56 HA HIS 7 HA HIS 7 -6.898 -2.795 2.068 57 HB2 HIS 7 2HB HIS 7 -7.429 -4.690 4.365 58 HB3 HIS 7 3HB HIS 7 -6.300 -5.115 3.079 59 HD2 HIS 7 HD2 HIS 7 -6.805 -2.062 5.491 60 HE1 HIS 7 HE1 HIS 7 -2.688 -2.235 4.418 61 HE2 HIS 7 HE2 HIS 7 -4.432 -0.931 5.735 62 H LYS 8 H LYS 8 -9.966 -4.415 2.424 63 HA LYS 8 HA LYS 8 -9.904 -6.019 0.013 64 HB2 LYS 8 2HB LYS 8 -11.450 -6.458 1.750 65 HB3 LYS 8 3HB LYS 8 -12.095 -4.826 1.703 66 HG2 LYS 8 2HG LYS 8 -13.568 -6.426 0.702 67 HG3 LYS 8 3HG LYS 8 -13.100 -5.198 -0.465 68 HD2 LYS 8 2HD LYS 8 -11.637 -6.765 -1.618 69 HD3 LYS 8 3HD LYS 8 -11.787 -7.948 -0.310 70 HE2 LYS 8 2HE LYS 8 -13.136 -8.614 -2.228 71 HE3 LYS 8 3HE LYS 8 -14.154 -8.293 -0.819 72 HZ1 LYS 8 1HZ LYS 8 -13.704 -6.301 -2.976 73 HZ2 LYS 8 2HZ LYS 8 -14.991 -7.332 -2.940 74 HZ3 LYS 8 3HZ LYS 8 -14.777 -6.177 -1.776 75 H ASP 9 H ASP 9 -11.428 -2.798 0.537 76 HA ASP 9 HA ASP 9 -11.962 -2.463 -2.247 77 HB2 ASP 9 2HB ASP 9 -12.159 -0.742 0.238 78 HB3 ASP 9 3HB ASP 9 -12.513 -0.099 -1.337 79 H ALA 10 H ALA 10 -9.098 -1.588 -0.462 80 HA ALA 10 HA ALA 10 -8.057 0.027 -2.706 81 HB1 ALA 10 1HB ALA 10 -6.718 -1.074 -0.205 82 HB2 ALA 10 2HB ALA 10 -6.030 0.120 -1.327 83 HB3 ALA 10 3HB ALA 10 -7.458 0.537 -0.362 84 H GLY 11 H GLY 11 -8.468 -3.331 -2.182 85 HA2 GLY 11 2HA GLY 11 -7.716 -5.166 -3.310 86 HA3 GLY 11 3HA GLY 11 -6.990 -4.084 -4.501 87 H TYR 12 H TYR 12 -6.155 -4.336 -1.016 88 HA TYR 12 HA TYR 12 -3.333 -4.417 -1.435 89 HB2 TYR 12 2HB TYR 12 -4.331 -3.704 0.675 90 HB3 TYR 12 3HB TYR 12 -5.049 -5.288 0.919 91 HD1 TYR 12 HD1 TYR 12 -1.878 -3.381 0.968 92 HD2 TYR 12 HD2 TYR 12 -3.762 -7.189 1.741 93 HE1 TYR 12 HE1 TYR 12 0.138 -4.144 2.225 94 HE2 TYR 12 HE2 TYR 12 -1.734 -7.948 2.967 95 HH TYR 12 HH TYR 12 0.421 -7.404 3.654 96 H GLN 13 H GLN 13 -1.844 -6.034 -1.455 97 HA GLN 13 HA GLN 13 -2.699 -8.874 -1.430 98 HB2 GLN 13 2HB GLN 13 -0.964 -9.245 -3.280 99 HB3 GLN 13 3HB GLN 13 -2.533 -8.606 -3.717 100 HG2 GLN 13 2HG GLN 13 -1.550 -6.309 -3.874 101 HG3 GLN 13 3HG GLN 13 0.029 -6.980 -3.466 102 HE21 GLN 13 1HE2 GLN 13 1.173 -6.579 -5.223 103 HE22 GLN 13 2HE2 GLN 13 0.842 -7.428 -6.720 104 H GLU 14 H GLU 14 -1.183 -10.367 -0.734 105 HA GLU 14 HA GLU 14 0.597 -9.370 1.296 106 HB2 GLU 14 2HB GLU 14 0.984 -11.652 1.873 107 HB3 GLU 14 3HB GLU 14 -0.728 -11.419 1.506 108 HG2 GLU 14 2HG GLU 14 -0.404 -12.400 -0.728 109 HG3 GLU 14 3HG GLU 14 1.309 -12.665 -0.386 110 H SER 15 H SER 15 1.196 -9.631 -1.987 111 HA SER 15 HA SER 15 4.089 -9.336 -1.453 112 HB2 SER 15 2HB SER 15 4.545 -10.602 -3.659 113 HB3 SER 15 3HB SER 15 4.279 -11.478 -2.165 114 HG SER 15 HG SER 15 2.463 -11.031 -4.327 115 HA PRO 16 HA PRO 16 3.624 -5.777 -3.903 116 HB2 PRO 16 2HB PRO 16 6.169 -5.178 -4.636 117 HB3 PRO 16 3HB PRO 16 5.654 -5.204 -2.920 118 HG2 PRO 16 2HG PRO 16 7.120 -7.355 -4.466 119 HG3 PRO 16 3HG PRO 16 7.464 -6.740 -2.820 120 HD2 PRO 16 2HD PRO 16 5.999 -9.029 -3.386 121 HD3 PRO 16 3HD PRO 16 5.787 -8.110 -1.888 122 H ASN 17 H ASN 17 4.081 -4.807 -6.175 123 HA ASN 17 HA ASN 17 3.736 -7.004 -8.194 124 HB2 ASN 17 2HB ASN 17 1.709 -5.723 -7.781 125 HB3 ASN 17 3HB ASN 17 2.552 -4.219 -8.038 126 HD21 ASN 17 1HD2 ASN 17 0.564 -4.151 -9.580 127 HD22 ASN 17 2HD2 ASN 17 0.826 -4.792 -11.189 128 H GLY 18 H GLY 18 5.931 -7.271 -8.737 129 HA2 GLY 18 2HA GLY 18 7.935 -6.821 -9.779 130 HA3 GLY 18 3HA GLY 18 7.069 -5.619 -10.721 131 H ALA 19 H ALA 19 7.868 -3.655 -10.531 132 HA ALA 19 HA ALA 19 9.573 -2.837 -8.271 133 HB1 ALA 19 1HB ALA 19 8.781 -1.375 -10.822 134 HB2 ALA 19 2HB ALA 19 10.087 -0.926 -9.698 135 HB3 ALA 19 3HB ALA 19 10.200 -2.430 -10.624 136 H LYS 20 H LYS 20 6.221 -2.773 -8.687 137 HA LYS 20 HA LYS 20 5.799 -0.107 -7.455 138 HB2 LYS 20 2HB LYS 20 3.727 -2.095 -8.472 139 HB3 LYS 20 3HB LYS 20 3.478 -0.436 -7.936 140 HG2 LYS 20 2HG LYS 20 3.412 -0.094 -10.151 141 HG3 LYS 20 3HG LYS 20 5.122 0.204 -9.856 142 HD2 LYS 20 2HD LYS 20 5.668 -2.062 -10.714 143 HD3 LYS 20 3HD LYS 20 3.934 -2.406 -10.918 144 HE2 LYS 20 2HE LYS 20 3.752 -0.476 -12.470 145 HE3 LYS 20 3HE LYS 20 5.477 -0.151 -12.275 146 HZ1 LYS 20 1HZ LYS 20 5.924 -2.335 -13.288 147 HZ2 LYS 20 2HZ LYS 20 4.313 -2.607 -13.485 148 HZ3 LYS 20 3HZ LYS 20 5.018 -1.389 -14.289 149 H ARG 21 H ARG 21 5.790 0.053 -5.347 150 HA ARG 21 HA ARG 21 4.682 -2.013 -3.530 151 HB2 ARG 21 2HB ARG 21 6.750 -2.971 -3.589 152 HB3 ARG 21 3HB ARG 21 7.583 -1.499 -4.066 153 HG2 ARG 21 2HG ARG 21 7.705 -0.666 -1.860 154 HG3 ARG 21 3HG ARG 21 6.566 -1.871 -1.231 155 HD2 ARG 21 2HD ARG 21 8.144 -3.661 -1.721 156 HD3 ARG 21 3HD ARG 21 9.281 -2.500 -2.441 157 HE ARG 21 HE ARG 21 8.457 -2.035 0.370 158 HH11 ARG 21 1HH1 ARG 21 10.696 -3.876 -1.539 159 HH12 ARG 21 2HH1 ARG 21 12.037 -3.635 -0.438 160 HH21 ARG 21 1HH2 ARG 21 10.283 -1.717 1.798 161 HH22 ARG 21 2HH2 ARG 21 11.686 -2.724 1.488 162 H CYS 22 H CYS 22 4.122 -1.287 -1.536 163 HA CYS 22 HA CYS 22 3.496 1.399 -0.997 164 HB2 CYS 22 2HB CYS 22 3.903 -1.063 0.762 165 HB3 CYS 22 3HB CYS 22 3.181 0.457 1.327 166 H GLY 23 H GLY 23 6.225 -0.452 0.487 167 HA2 GLY 23 2HA GLY 23 7.466 1.637 1.851 168 HA3 GLY 23 3HA GLY 23 8.268 0.186 1.253 169 H THR 24 H THR 24 7.307 1.515 -1.578 170 HA THR 24 HA THR 24 9.391 3.645 -1.697 171 HB THR 24 HB THR 24 9.937 3.019 -3.967 172 HG1 THR 24 HG1 THR 24 8.163 1.968 -4.735 173 HG21 THR 24 1HG2 THR 24 11.226 1.044 -3.567 174 HG22 THR 24 2HG2 THR 24 11.227 2.017 -2.089 175 HG23 THR 24 3HG2 THR 24 10.200 0.568 -2.199 176 H CYS 25 H CYS 25 6.118 3.046 -1.891 177 HA CYS 25 HA CYS 25 5.291 4.615 -4.120 178 HB2 CYS 25 2HB CYS 25 3.889 2.874 -3.116 179 HB3 CYS 25 3HB CYS 25 3.877 3.730 -1.566 180 H ARG 26 H ARG 26 4.477 6.648 -4.313 181 HA ARG 26 HA ARG 26 5.425 8.755 -2.627 182 HB2 ARG 26 2HB ARG 26 4.537 10.205 -4.177 183 HB3 ARG 26 3HB ARG 26 4.845 8.781 -5.149 184 HG2 ARG 26 2HG ARG 26 2.397 8.179 -4.976 185 HG3 ARG 26 3HG ARG 26 2.143 9.650 -4.022 186 HD2 ARG 26 2HD ARG 26 3.073 10.965 -6.017 187 HD3 ARG 26 3HD ARG 26 2.926 9.473 -6.940 188 HE ARG 26 HE ARG 26 0.622 9.768 -7.050 189 HH11 ARG 26 1HH1 ARG 26 1.857 12.151 -4.702 190 HH12 ARG 26 2HH1 ARG 26 0.236 12.835 -4.571 191 HH21 ARG 26 1HH2 ARG 26 -1.351 10.786 -6.699 192 HH22 ARG 26 2HH2 ARG 26 -1.349 12.240 -5.684 193 H GLN 27 H GLN 27 2.687 6.775 -2.132 194 HA GLN 27 HA GLN 27 1.132 8.866 -0.721 195 HB2 GLN 27 2HB GLN 27 0.428 5.972 -1.260 196 HB3 GLN 27 3HB GLN 27 -0.678 7.254 -0.808 197 HG2 GLN 27 2HG GLN 27 0.759 6.991 -3.493 198 HG3 GLN 27 3HG GLN 27 -0.912 6.605 -3.152 199 HE21 GLN 27 1HE2 GLN 27 -1.623 8.048 -4.826 200 HE22 GLN 27 2HE2 GLN 27 -1.600 9.780 -4.513 201 H PHE 28 H PHE 28 3.401 6.547 0.203 202 HA PHE 28 HA PHE 28 1.991 5.074 2.129 203 HB2 PHE 28 2HB PHE 28 3.875 4.333 0.779 204 HB3 PHE 28 3HB PHE 28 4.935 5.469 1.597 205 HD1 PHE 28 HD1 PHE 28 2.734 2.490 2.330 206 HD2 PHE 28 HD2 PHE 28 6.263 4.729 3.358 207 HE1 PHE 28 HE1 PHE 28 3.446 0.675 3.889 208 HE2 PHE 28 HE2 PHE 28 6.928 2.952 4.960 209 HZ PHE 28 HZ PHE 28 5.537 0.916 5.211 210 H ARG 29 H ARG 29 3.874 7.987 2.683 211 HA ARG 29 HA ARG 29 4.818 8.972 4.511 212 HB2 ARG 29 2HB ARG 29 2.095 8.386 5.618 213 HB3 ARG 29 3HB ARG 29 3.305 9.334 6.461 214 HG2 ARG 29 2HG ARG 29 1.879 10.870 5.372 215 HG3 ARG 29 3HG ARG 29 3.434 10.924 4.535 216 HD2 ARG 29 2HD ARG 29 2.546 9.628 2.693 217 HD3 ARG 29 3HD ARG 29 1.125 9.206 3.608 218 HE ARG 29 HE ARG 29 0.526 11.694 3.498 219 HH11 ARG 29 1HH1 ARG 29 2.724 10.527 0.961 220 HH12 ARG 29 2HH1 ARG 29 2.004 11.636 -0.186 221 HH21 ARG 29 1HH2 ARG 29 -0.176 13.051 2.014 222 HH22 ARG 29 2HH2 ARG 29 0.499 13.051 0.388 223 HA PRO 30 HA PRO 30 6.575 5.143 6.443 224 HB2 PRO 30 2HB PRO 30 8.777 7.214 6.676 225 HB3 PRO 30 3HB PRO 30 8.925 5.455 6.386 226 HG2 PRO 30 2HG PRO 30 9.107 7.196 4.322 227 HG3 PRO 30 3HG PRO 30 8.137 5.702 4.132 228 HD2 PRO 30 2HD PRO 30 7.200 8.515 4.730 229 HD3 PRO 30 3HD PRO 30 6.493 7.311 3.609 230 HA PRO 31 HA PRO 31 7.774 4.062 8.215 231 HB2 PRO 31 2HB PRO 31 6.957 2.639 10.388 232 HB3 PRO 31 3HB PRO 31 8.303 3.819 10.436 233 HG2 PRO 31 2HG PRO 31 5.402 4.307 11.207 234 HG3 PRO 31 3HG PRO 31 6.872 4.639 12.183 235 HD2 PRO 31 2HD PRO 31 5.737 6.593 10.695 236 HD3 PRO 31 3HD PRO 31 7.511 6.438 10.777 237 H SER 32 H SER 32 4.305 4.706 8.911 238 HA SER 32 HA SER 32 3.450 2.833 6.863 239 HB2 SER 32 2HB SER 32 4.064 1.225 8.673 240 HB3 SER 32 3HB SER 32 2.956 2.066 9.759 241 HG SER 32 HG SER 32 2.456 0.375 7.587 242 H SER 33 H SER 33 2.388 5.052 6.334 243 HA SER 33 HA SER 33 -0.370 4.921 7.373 244 HB2 SER 33 2HB SER 33 1.245 7.470 7.717 245 HB3 SER 33 3HB SER 33 -0.524 7.278 7.849 246 HG SER 33 HG SER 33 0.585 5.397 9.334 247 H CYS 34 H CYS 34 -0.288 4.157 5.161 248 HA CYS 34 HA CYS 34 -0.038 5.849 2.875 249 HB2 CYS 34 2HB CYS 34 -0.049 3.454 2.556 250 HB3 CYS 34 3HB CYS 34 -1.656 3.313 3.322 251 H ILE 35 H ILE 35 -1.327 7.340 1.941 252 HA ILE 35 HA ILE 35 -3.846 8.046 3.289 253 HB ILE 35 HB ILE 35 -3.962 9.968 1.829 254 HG12 ILE 35 2HG1 ILE 35 -2.027 10.688 0.491 255 HG13 ILE 35 3HG1 ILE 35 -1.298 9.093 0.631 256 HG21 ILE 35 1HG2 ILE 35 -1.275 9.616 3.192 257 HG22 ILE 35 2HG2 ILE 35 -2.086 11.155 2.817 258 HG23 ILE 35 3HG2 ILE 35 -2.816 10.039 3.974 259 HD11 ILE 35 1HD1 ILE 35 -3.024 8.116 -0.748 260 HD12 ILE 35 2HD1 ILE 35 -4.047 9.571 -0.610 261 HD13 ILE 35 3HD1 ILE 35 -2.546 9.616 -1.539 262 H THR 36 H THR 36 -3.186 5.768 0.941 263 HA THR 36 HA THR 36 -5.750 6.074 -0.508 264 HB THR 36 HB THR 36 -3.524 4.027 -0.773 265 HG1 THR 36 HG1 THR 36 -2.738 5.306 -2.164 266 HG21 THR 36 1HG2 THR 36 -5.588 3.070 -1.686 267 HG22 THR 36 2HG2 THR 36 -5.897 4.567 -2.601 268 HG23 THR 36 3HG2 THR 36 -4.495 3.541 -2.986 269 H VAL 37 H VAL 37 -4.379 4.062 2.085 270 HA VAL 37 HA VAL 37 -6.940 2.540 2.283 271 HB VAL 37 HB VAL 37 -5.231 1.352 0.931 272 HG11 VAL 37 1HG1 VAL 37 -3.641 1.125 3.518 273 HG12 VAL 37 2HG1 VAL 37 -3.306 0.299 1.979 274 HG13 VAL 37 3HG1 VAL 37 -3.175 2.051 2.070 275 HG21 VAL 37 1HG2 VAL 37 -6.979 0.095 2.121 276 HG22 VAL 37 2HG2 VAL 37 -5.469 -0.818 1.949 277 HG23 VAL 37 3HG2 VAL 37 -5.885 -0.103 3.507 278 H GLU 38 H GLU 38 -7.329 1.471 4.306 279 HA GLU 38 HA GLU 38 -6.844 2.900 6.685 280 HB2 GLU 38 2HB GLU 38 -7.605 0.022 6.105 281 HB3 GLU 38 3HB GLU 38 -7.460 0.585 7.759 282 HG2 GLU 38 2HG GLU 38 -9.319 1.921 5.757 283 HG3 GLU 38 3HG GLU 38 -9.758 0.539 6.767 284 H SER 39 H SER 39 -5.810 2.282 8.629 285 HA SER 39 HA SER 39 -2.960 1.562 8.150 286 HB2 SER 39 2HB SER 39 -3.332 3.801 8.915 287 HB3 SER 39 3HB SER 39 -4.301 3.205 10.272 288 HG SER 39 HG SER 39 -2.345 3.656 11.071 289 HA PRO 40 HA PRO 40 -1.065 0.897 9.324 290 HB2 PRO 40 2HB PRO 40 0.453 -1.295 9.717 291 HB3 PRO 40 3HB PRO 40 -0.123 -0.297 11.084 292 HG2 PRO 40 2HG PRO 40 -1.390 -2.842 9.991 293 HG3 PRO 40 3HG PRO 40 -0.925 -2.488 11.688 294 HD2 PRO 40 2HD PRO 40 -3.465 -2.088 10.786 295 HD3 PRO 40 3HD PRO 40 -2.713 -0.971 11.958 296 H ILE 41 H ILE 41 0.505 0.094 7.709 297 HA ILE 41 HA ILE 41 -0.538 -1.715 5.609 298 HB ILE 41 HB ILE 41 -1.139 0.465 4.821 299 HG12 ILE 41 2HG1 ILE 41 0.188 0.736 2.751 300 HG13 ILE 41 3HG1 ILE 41 1.402 -0.380 3.365 301 HG21 ILE 41 1HG2 ILE 41 0.233 1.938 6.171 302 HG22 ILE 41 2HG2 ILE 41 1.713 1.374 5.372 303 HG23 ILE 41 3HG2 ILE 41 0.518 2.297 4.464 304 HD11 ILE 41 1HD1 ILE 41 -0.317 -2.192 3.400 305 HD12 ILE 41 2HD1 ILE 41 -1.520 -1.035 2.789 306 HD13 ILE 41 3HD1 ILE 41 -0.126 -1.478 1.789 307 H SER 42 H SER 42 0.943 -3.160 4.937 308 HA SER 42 HA SER 42 3.491 -3.389 6.205 309 HB2 SER 42 2HB SER 42 2.092 -5.285 5.360 310 HB3 SER 42 3HB SER 42 2.508 -4.803 3.703 311 HG SER 42 HG SER 42 3.929 -6.396 4.345 312 H GLU 43 H GLU 43 5.619 -3.484 5.270 313 HA GLU 43 HA GLU 43 6.437 -1.316 3.660 314 HB2 GLU 43 2HB GLU 43 8.611 -2.434 3.609 315 HB3 GLU 43 3HB GLU 43 7.916 -2.484 5.222 316 HG2 GLU 43 2HG GLU 43 7.244 -4.830 4.914 317 HG3 GLU 43 3HG GLU 43 7.821 -4.785 3.266 318 H ASN 44 H ASN 44 5.317 -4.514 2.559 319 HA ASN 44 HA ASN 44 6.478 -4.139 -0.113 320 HB2 ASN 44 2HB ASN 44 5.534 -6.361 1.643 321 HB3 ASN 44 3HB ASN 44 5.128 -6.556 -0.032 322 HD21 ASN 44 1HD2 ASN 44 6.445 -8.499 0.523 323 HD22 ASN 44 2HD2 ASN 44 8.069 -8.323 -0.089 324 H GLY 45 H GLY 45 3.215 -5.336 0.811 325 HA2 GLY 45 2HA GLY 45 1.122 -4.729 0.204 326 HA3 GLY 45 3HA GLY 45 1.721 -3.080 0.173 327 H TRP 46 H TRP 46 1.587 -2.072 -1.675 328 HA TRP 46 HA TRP 46 1.019 -1.508 -3.793 329 HB2 TRP 46 2HB TRP 46 2.279 -3.353 -4.813 330 HB3 TRP 46 3HB TRP 46 0.899 -4.422 -4.586 331 HD1 TRP 46 HD1 TRP 46 2.089 -1.574 -6.725 332 HE1 TRP 46 HE1 TRP 46 0.604 -1.337 -8.821 333 HE3 TRP 46 HE3 TRP 46 -1.696 -4.716 -5.380 334 HZ2 TRP 46 HZ2 TRP 46 -1.744 -2.637 -9.899 335 HZ3 TRP 46 HZ3 TRP 46 -3.571 -5.182 -6.935 336 HH2 TRP 46 HH2 TRP 46 -3.591 -4.170 -9.213 337 H CYS 47 H CYS 47 -0.840 -0.867 -4.552 338 HA CYS 47 HA CYS 47 -3.384 -2.199 -3.740 339 HB2 CYS 47 2HB CYS 47 -4.329 0.059 -3.433 340 HB3 CYS 47 3HB CYS 47 -2.913 -0.151 -2.403 341 H ARG 48 H ARG 48 -5.176 -1.748 -5.116 342 HA ARG 48 HA ARG 48 -4.624 -1.857 -7.971 343 HB2 ARG 48 2HB ARG 48 -7.131 -1.896 -6.257 344 HB3 ARG 48 3HB ARG 48 -7.258 -1.695 -8.000 345 HG2 ARG 48 2HG ARG 48 -6.010 -3.778 -8.390 346 HG3 ARG 48 3HG ARG 48 -5.925 -4.066 -6.640 347 HD2 ARG 48 2HD ARG 48 -8.345 -4.256 -6.491 348 HD3 ARG 48 3HD ARG 48 -8.545 -3.670 -8.151 349 HE ARG 48 HE ARG 48 -6.937 -6.066 -8.122 350 HH11 ARG 48 1HH1 ARG 48 -10.328 -5.145 -7.773 351 HH12 ARG 48 2HH1 ARG 48 -10.868 -6.610 -8.564 352 HH21 ARG 48 1HH2 ARG 48 -7.684 -7.816 -9.121 353 HH22 ARG 48 2HH2 ARG 48 -9.393 -8.168 -9.195 354 H LEU 49 H LEU 49 -4.262 0.841 -6.230 355 HA LEU 49 HA LEU 49 -5.440 2.615 -8.324 356 HB2 LEU 49 2HB LEU 49 -6.178 3.107 -6.025 357 HB3 LEU 49 3HB LEU 49 -4.497 3.253 -5.511 358 HG LEU 49 HG LEU 49 -4.205 5.203 -7.055 359 HD11 LEU 49 1HD1 LEU 49 -7.207 4.893 -7.498 360 HD12 LEU 49 2HD1 LEU 49 -6.240 6.307 -7.966 361 HD13 LEU 49 3HD1 LEU 49 -5.941 4.753 -8.740 362 HD21 LEU 49 1HD2 LEU 49 -6.508 5.426 -5.080 363 HD22 LEU 49 2HD2 LEU 49 -4.773 5.557 -4.707 364 HD23 LEU 49 3HD2 LEU 49 -5.546 6.781 -5.719 365 H TYR 50 H TYR 50 -4.108 3.389 -9.789 366 HA TYR 50 HA TYR 50 -1.272 2.937 -9.809 367 HB2 TYR 50 2HB TYR 50 -2.525 2.854 -11.836 368 HB3 TYR 50 3HB TYR 50 -3.257 4.426 -11.545 369 HD1 TYR 50 HD1 TYR 50 -0.099 2.731 -12.552 370 HD2 TYR 50 HD2 TYR 50 -2.226 6.469 -12.197 371 HE1 TYR 50 HE1 TYR 50 1.643 3.854 -13.929 372 HE2 TYR 50 HE2 TYR 50 -0.489 7.589 -13.567 373 HH TYR 50 HH TYR 50 2.325 5.799 -14.889 374 H ALA 51 H ALA 51 0.443 4.409 -9.912 375 HA ALA 51 HA ALA 51 -0.073 7.258 -9.389 376 HB1 ALA 51 1HB ALA 51 0.512 6.269 -7.172 377 HB2 ALA 51 2HB ALA 51 2.037 5.676 -7.866 378 HB3 ALA 51 3HB ALA 51 1.731 7.422 -7.743 379 H GLY 52 H GLY 52 1.241 8.624 -10.510 380 HA2 GLY 52 2HA GLY 52 2.787 7.662 -12.706 381 HA3 GLY 52 3HA GLY 52 2.603 9.340 -12.209 382 H LYS 53 H LYS 53 3.749 8.249 -9.494 383 HA LYS 53 HA LYS 53 6.595 8.769 -10.013 384 HB2 LYS 53 2HB LYS 53 4.844 8.614 -7.570 385 HB3 LYS 53 3HB LYS 53 6.533 8.184 -7.406 386 HG2 LYS 53 2HG LYS 53 6.291 10.472 -6.804 387 HG3 LYS 53 3HG LYS 53 7.270 10.327 -8.264 388 HD2 LYS 53 2HD LYS 53 5.321 11.018 -9.641 389 HD3 LYS 53 3HD LYS 53 4.346 11.184 -8.160 390 HE2 LYS 53 2HE LYS 53 5.971 12.858 -7.294 391 HE3 LYS 53 3HE LYS 53 6.941 12.672 -8.766 392 HZ1 LYS 53 1HZ LYS 53 5.551 14.578 -8.985 393 HZ2 LYS 53 2HZ LYS 53 4.979 13.444 -10.024 394 HZ3 LYS 53 3HZ LYS 53 4.186 13.747 -8.610 395 H ALA 54 H ALA 54 7.799 7.282 -10.615 396 HA ALA 54 HA ALA 54 7.287 4.464 -10.648 397 HB1 ALA 54 1HB ALA 54 8.737 5.644 -12.282 398 HB2 ALA 54 2HB ALA 54 9.924 5.952 -10.994 399 HB3 ALA 54 3HB ALA 54 9.575 4.290 -11.503 Start of MODEL 2 1 H1 VAL 1 1H VAL 1 -8.185 11.046 13.590 2 H2 VAL 1 2H VAL 1 -8.478 9.926 14.744 3 H3 VAL 1 3H VAL 1 -8.187 11.481 15.180 4 HA VAL 1 HA VAL 1 -10.478 11.171 15.421 5 HB VAL 1 HB VAL 1 -10.174 12.583 12.752 6 HG11 VAL 1 1HG1 VAL 1 -12.162 12.898 15.040 7 HG12 VAL 1 2HG1 VAL 1 -12.070 13.940 13.606 8 HG13 VAL 1 3HG1 VAL 1 -12.509 12.246 13.424 9 HG21 VAL 1 1HG2 VAL 1 -9.769 13.696 15.566 10 HG22 VAL 1 2HG2 VAL 1 -8.521 13.560 14.300 11 HG23 VAL 1 3HG2 VAL 1 -9.874 14.658 14.078 12 H THR 2 H THR 2 -9.642 10.160 12.007 13 HA THR 2 HA THR 2 -12.042 8.359 12.123 14 HB THR 2 HB THR 2 -11.272 10.121 9.775 15 HG1 THR 2 HG1 THR 2 -12.867 11.425 10.401 16 HG21 THR 2 1HG2 THR 2 -13.576 9.528 8.998 17 HG22 THR 2 2HG2 THR 2 -12.513 8.122 9.063 18 HG23 THR 2 3HG2 THR 2 -13.719 8.380 10.346 19 H LYS 3 H LYS 3 -11.710 6.313 11.551 20 HA LYS 3 HA LYS 3 -9.198 5.251 10.666 21 HB2 LYS 3 2HB LYS 3 -11.936 4.213 11.233 22 HB3 LYS 3 3HB LYS 3 -11.120 3.352 9.936 23 HG2 LYS 3 2HG LYS 3 -9.117 3.105 11.402 24 HG3 LYS 3 3HG LYS 3 -10.056 3.751 12.759 25 HD2 LYS 3 2HD LYS 3 -11.633 1.893 12.573 26 HD3 LYS 3 3HD LYS 3 -10.865 1.309 11.102 27 HE2 LYS 3 2HE LYS 3 -9.580 1.390 13.867 28 HE3 LYS 3 3HE LYS 3 -10.235 -0.043 13.073 29 HZ1 LYS 3 1HZ LYS 3 -7.875 1.520 12.208 30 HZ2 LYS 3 2HZ LYS 3 -7.869 -0.011 12.743 31 HZ3 LYS 3 3HZ LYS 3 -8.542 0.360 11.271 32 H LYS 4 H LYS 4 -8.558 4.242 8.730 33 HA LYS 4 HA LYS 4 -9.535 5.581 6.267 34 HB2 LYS 4 2HB LYS 4 -7.076 3.964 7.009 35 HB3 LYS 4 3HB LYS 4 -7.410 4.336 5.332 36 HG2 LYS 4 2HG LYS 4 -7.631 6.613 7.189 37 HG3 LYS 4 3HG LYS 4 -5.999 5.951 7.007 38 HD2 LYS 4 2HD LYS 4 -6.293 7.849 5.579 39 HD3 LYS 4 3HD LYS 4 -6.115 6.403 4.578 40 HE2 LYS 4 2HE LYS 4 -8.445 6.334 4.083 41 HE3 LYS 4 3HE LYS 4 -8.852 7.478 5.370 42 HZ1 LYS 4 1HZ LYS 4 -8.832 8.406 3.053 43 HZ2 LYS 4 2HZ LYS 4 -7.907 9.257 4.150 44 HZ3 LYS 4 3HZ LYS 4 -7.205 8.275 3.054 45 H ALA 5 H ALA 5 -9.169 4.135 4.277 46 HA ALA 5 HA ALA 5 -11.474 2.326 4.227 47 HB1 ALA 5 1HB ALA 5 -11.061 2.200 1.826 48 HB2 ALA 5 2HB ALA 5 -10.976 3.885 2.369 49 HB3 ALA 5 3HB ALA 5 -9.481 2.985 2.024 50 H SER 6 H SER 6 -11.483 0.042 3.516 51 HA SER 6 HA SER 6 -9.446 -1.419 4.947 52 HB2 SER 6 2HB SER 6 -10.687 -3.325 4.657 53 HB3 SER 6 3HB SER 6 -11.924 -2.066 4.631 54 HG SER 6 HG SER 6 -12.244 -3.544 2.947 55 H HIS 7 H HIS 7 -8.199 -3.260 4.124 56 HA HIS 7 HA HIS 7 -6.438 -2.586 1.958 57 HB2 HIS 7 2HB HIS 7 -7.079 -5.264 3.269 58 HB3 HIS 7 3HB HIS 7 -5.829 -5.036 2.060 59 HD2 HIS 7 HD2 HIS 7 -5.993 -2.287 4.731 60 HE1 HIS 7 HE1 HIS 7 -2.608 -4.710 5.596 61 HE2 HIS 7 HE2 HIS 7 -3.786 -2.534 6.150 62 H LYS 8 H LYS 8 -9.370 -4.544 2.013 63 HA LYS 8 HA LYS 8 -9.290 -5.588 -0.678 64 HB2 LYS 8 2HB LYS 8 -11.715 -4.964 1.078 65 HB3 LYS 8 3HB LYS 8 -11.680 -6.052 -0.281 66 HG2 LYS 8 2HG LYS 8 -10.182 -6.455 2.358 67 HG3 LYS 8 3HG LYS 8 -11.752 -7.132 1.950 68 HD2 LYS 8 2HD LYS 8 -10.734 -8.393 0.069 69 HD3 LYS 8 3HD LYS 8 -9.133 -7.749 0.516 70 HE2 LYS 8 2HE LYS 8 -9.304 -8.790 2.731 71 HE3 LYS 8 3HE LYS 8 -10.945 -9.345 2.385 72 HZ1 LYS 8 1HZ LYS 8 -9.296 -11.080 2.109 73 HZ2 LYS 8 2HZ LYS 8 -10.063 -10.799 0.678 74 HZ3 LYS 8 3HZ LYS 8 -8.521 -10.244 0.925 75 H ASP 9 H ASP 9 -11.096 -2.921 0.768 76 HA ASP 9 HA ASP 9 -12.361 -1.941 -1.543 77 HB2 ASP 9 2HB ASP 9 -12.682 -1.415 1.010 78 HB3 ASP 9 3HB ASP 9 -11.533 -0.127 0.718 79 H ALA 10 H ALA 10 -9.240 -1.001 -0.160 80 HA ALA 10 HA ALA 10 -8.689 1.068 -2.118 81 HB1 ALA 10 1HB ALA 10 -6.842 -0.387 -0.189 82 HB2 ALA 10 2HB ALA 10 -6.527 1.151 -1.027 83 HB3 ALA 10 3HB ALA 10 -7.815 1.054 0.197 84 H GLY 11 H GLY 11 -8.476 -2.361 -2.416 85 HA2 GLY 11 2HA GLY 11 -7.571 -3.696 -4.076 86 HA3 GLY 11 3HA GLY 11 -7.066 -2.247 -4.959 87 H TYR 12 H TYR 12 -6.150 -3.150 -1.637 88 HA TYR 12 HA TYR 12 -3.275 -3.426 -2.416 89 HB2 TYR 12 2HB TYR 12 -3.720 -1.737 -0.702 90 HB3 TYR 12 3HB TYR 12 -4.600 -2.907 0.268 91 HD1 TYR 12 HD1 TYR 12 -3.414 -4.744 1.450 92 HD2 TYR 12 HD2 TYR 12 -1.267 -1.681 -0.707 93 HE1 TYR 12 HE1 TYR 12 -1.329 -5.365 2.635 94 HE2 TYR 12 HE2 TYR 12 0.810 -2.280 0.502 95 HH TYR 12 HH TYR 12 1.758 -3.632 2.128 96 H GLN 13 H GLN 13 -2.155 -5.293 -1.739 97 HA GLN 13 HA GLN 13 -3.943 -7.678 -1.612 98 HB2 GLN 13 2HB GLN 13 -2.127 -8.723 -3.066 99 HB3 GLN 13 3HB GLN 13 -3.207 -7.538 -3.779 100 HG2 GLN 13 2HG GLN 13 -1.456 -5.775 -3.580 101 HG3 GLN 13 3HG GLN 13 -0.366 -6.964 -2.882 102 HE21 GLN 13 1HE2 GLN 13 1.138 -6.654 -4.394 103 HE22 GLN 13 2HE2 GLN 13 0.972 -7.525 -5.923 104 H GLU 14 H GLU 14 -3.353 -9.580 -0.655 105 HA GLU 14 HA GLU 14 -1.832 -9.295 1.755 106 HB2 GLU 14 2HB GLU 14 -2.505 -11.435 2.339 107 HB3 GLU 14 3HB GLU 14 -3.850 -10.773 1.415 108 HG2 GLU 14 2HG GLU 14 -3.029 -12.093 -0.575 109 HG3 GLU 14 3HG GLU 14 -1.790 -12.811 0.453 110 H SER 15 H SER 15 -0.648 -9.863 -1.352 111 HA SER 15 HA SER 15 1.961 -10.723 -0.277 112 HB2 SER 15 2HB SER 15 2.258 -12.195 -2.344 113 HB3 SER 15 3HB SER 15 1.279 -12.810 -1.040 114 HG SER 15 HG SER 15 0.340 -13.122 -3.105 115 HA PRO 16 HA PRO 16 3.398 -7.479 -2.596 116 HB2 PRO 16 2HB PRO 16 6.047 -7.966 -2.832 117 HB3 PRO 16 3HB PRO 16 5.237 -7.833 -1.246 118 HG2 PRO 16 2HG PRO 16 5.973 -10.343 -2.772 119 HG3 PRO 16 3HG PRO 16 6.260 -9.958 -1.038 120 HD2 PRO 16 2HD PRO 16 4.102 -11.434 -1.946 121 HD3 PRO 16 3HD PRO 16 4.047 -10.448 -0.480 122 H ASN 17 H ASN 17 4.313 -6.535 -4.528 123 HA ASN 17 HA ASN 17 3.914 -8.261 -6.916 124 HB2 ASN 17 2HB ASN 17 2.439 -6.246 -6.604 125 HB3 ASN 17 3HB ASN 17 3.837 -5.229 -6.811 126 HD21 ASN 17 1HD2 ASN 17 1.921 -4.723 -8.594 127 HD22 ASN 17 2HD2 ASN 17 2.320 -5.442 -10.146 128 H GLY 18 H GLY 18 5.973 -9.189 -7.188 129 HA2 GLY 18 2HA GLY 18 8.024 -9.337 -8.229 130 HA3 GLY 18 3HA GLY 18 7.493 -7.913 -9.123 131 H ALA 19 H ALA 19 8.736 -6.159 -8.966 132 HA ALA 19 HA ALA 19 10.541 -5.792 -6.611 133 HB1 ALA 19 1HB ALA 19 11.057 -4.962 -9.487 134 HB2 ALA 19 2HB ALA 19 12.168 -4.810 -8.106 135 HB3 ALA 19 3HB ALA 19 11.720 -6.414 -8.708 136 H LYS 20 H LYS 20 7.665 -4.735 -7.284 137 HA LYS 20 HA LYS 20 8.135 -1.804 -7.194 138 HB2 LYS 20 2HB LYS 20 5.587 -3.464 -7.328 139 HB3 LYS 20 3HB LYS 20 5.657 -1.709 -7.327 140 HG2 LYS 20 2HG LYS 20 5.965 -1.623 -9.519 141 HG3 LYS 20 3HG LYS 20 7.435 -2.586 -9.412 142 HD2 LYS 20 2HD LYS 20 6.076 -4.670 -9.527 143 HD3 LYS 20 3HD LYS 20 4.600 -3.684 -9.634 144 HE2 LYS 20 2HE LYS 20 5.477 -2.620 -11.714 145 HE3 LYS 20 3HE LYS 20 6.937 -3.617 -11.599 146 HZ1 LYS 20 1HZ LYS 20 4.175 -4.645 -11.997 147 HZ2 LYS 20 2HZ LYS 20 5.342 -4.557 -13.138 148 HZ3 LYS 20 3HZ LYS 20 5.514 -5.592 -11.864 149 H ARG 21 H ARG 21 6.822 -0.548 -5.623 150 HA ARG 21 HA ARG 21 6.299 -1.672 -2.949 151 HB2 ARG 21 2HB ARG 21 8.556 -1.399 -2.570 152 HB3 ARG 21 3HB ARG 21 8.729 -0.037 -3.662 153 HG2 ARG 21 2HG ARG 21 8.012 1.531 -2.095 154 HG3 ARG 21 3HG ARG 21 7.295 0.334 -1.015 155 HD2 ARG 21 2HD ARG 21 9.451 -0.575 -0.433 156 HD3 ARG 21 3HD ARG 21 10.260 0.504 -1.580 157 HE ARG 21 HE ARG 21 9.216 2.393 -0.163 158 HH11 ARG 21 1HH1 ARG 21 10.271 -0.594 1.437 159 HH12 ARG 21 2HH1 ARG 21 11.186 0.350 2.606 160 HH21 ARG 21 1HH2 ARG 21 10.214 3.408 1.583 161 HH22 ARG 21 2HH2 ARG 21 11.105 2.404 2.714 162 H CYS 22 H CYS 22 5.218 -0.181 -1.558 163 HA CYS 22 HA CYS 22 3.611 1.988 -2.542 164 HB2 CYS 22 2HB CYS 22 4.680 1.259 0.218 165 HB3 CYS 22 3HB CYS 22 3.511 2.547 -0.090 166 H GLY 23 H GLY 23 5.696 2.985 -0.003 167 HA2 GLY 23 2HA GLY 23 7.356 4.520 0.277 168 HA3 GLY 23 3HA GLY 23 8.022 3.838 -1.197 169 H THR 24 H THR 24 7.453 4.796 -3.206 170 HA THR 24 HA THR 24 6.970 7.738 -3.059 171 HB THR 24 HB THR 24 8.614 7.969 -4.907 172 HG1 THR 24 HG1 THR 24 9.983 6.359 -5.315 173 HG21 THR 24 1HG2 THR 24 9.672 6.700 -2.334 174 HG22 THR 24 2HG2 THR 24 10.609 7.675 -3.471 175 HG23 THR 24 3HG2 THR 24 9.272 8.414 -2.579 176 H CYS 25 H CYS 25 4.925 5.753 -3.505 177 HA CYS 25 HA CYS 25 4.100 5.838 -6.268 178 HB2 CYS 25 2HB CYS 25 1.997 4.894 -5.355 179 HB3 CYS 25 3HB CYS 25 3.399 4.053 -4.709 180 H ARG 26 H ARG 26 2.090 7.034 -3.774 181 HA ARG 26 HA ARG 26 2.492 9.873 -4.240 182 HB2 ARG 26 2HB ARG 26 0.800 9.008 -6.057 183 HB3 ARG 26 3HB ARG 26 -0.356 8.916 -4.725 184 HG2 ARG 26 2HG ARG 26 -0.027 11.349 -4.303 185 HG3 ARG 26 3HG ARG 26 1.185 11.405 -5.596 186 HD2 ARG 26 2HD ARG 26 -0.542 10.724 -7.236 187 HD3 ARG 26 3HD ARG 26 -1.759 10.672 -5.953 188 HE ARG 26 HE ARG 26 -0.600 13.038 -7.251 189 HH11 ARG 26 1HH1 ARG 26 -2.653 12.006 -4.544 190 HH12 ARG 26 2HH1 ARG 26 -2.901 13.658 -4.045 191 HH21 ARG 26 1HH2 ARG 26 -1.078 15.065 -6.573 192 HH22 ARG 26 2HH2 ARG 26 -2.036 15.327 -5.125 193 H GLN 27 H GLN 27 1.375 7.258 -2.284 194 HA GLN 27 HA GLN 27 -0.008 9.105 -0.376 195 HB2 GLN 27 2HB GLN 27 -0.690 6.227 -1.050 196 HB3 GLN 27 3HB GLN 27 -1.568 7.290 0.039 197 HG2 GLN 27 2HG GLN 27 -1.904 8.861 -1.977 198 HG3 GLN 27 3HG GLN 27 -1.380 7.497 -2.976 199 HE21 GLN 27 1HE2 GLN 27 -2.752 5.432 -2.775 200 HE22 GLN 27 2HE2 GLN 27 -4.462 5.689 -2.517 201 H PHE 28 H PHE 28 2.658 6.893 -0.398 202 HA PHE 28 HA PHE 28 2.150 5.602 2.101 203 HB2 PHE 28 2HB PHE 28 3.683 4.794 0.292 204 HB3 PHE 28 3HB PHE 28 4.803 6.069 0.731 205 HD1 PHE 28 HD1 PHE 28 2.916 3.206 2.312 206 HD2 PHE 28 HD2 PHE 28 6.517 5.592 2.286 207 HE1 PHE 28 HE1 PHE 28 3.904 1.749 4.062 208 HE2 PHE 28 HE2 PHE 28 7.507 4.106 4.010 209 HZ PHE 28 HZ PHE 28 6.198 2.200 4.917 210 H ARG 29 H ARG 29 2.852 5.917 4.165 211 HA ARG 29 HA ARG 29 4.518 8.286 4.858 212 HB2 ARG 29 2HB ARG 29 2.088 8.909 4.964 213 HB3 ARG 29 3HB ARG 29 1.854 7.640 6.155 214 HG2 ARG 29 2HG ARG 29 2.129 9.495 7.513 215 HG3 ARG 29 3HG ARG 29 3.755 8.846 7.493 216 HD2 ARG 29 2HD ARG 29 4.195 11.105 7.092 217 HD3 ARG 29 3HD ARG 29 4.127 10.497 5.450 218 HE ARG 29 HE ARG 29 2.311 11.883 5.076 219 HH11 ARG 29 1HH1 ARG 29 2.665 11.610 8.539 220 HH12 ARG 29 2HH1 ARG 29 1.218 12.548 8.870 221 HH21 ARG 29 1HH2 ARG 29 0.514 13.196 5.551 222 HH22 ARG 29 2HH2 ARG 29 0.082 13.434 7.215 223 HA PRO 30 HA PRO 30 6.319 4.774 7.049 224 HB2 PRO 30 2HB PRO 30 8.098 6.996 8.072 225 HB3 PRO 30 3HB PRO 30 8.554 5.352 7.530 226 HG2 PRO 30 2HG PRO 30 8.879 7.479 5.882 227 HG3 PRO 30 3HG PRO 30 8.228 5.939 5.239 228 HD2 PRO 30 2HD PRO 30 6.718 8.443 5.991 229 HD3 PRO 30 3HD PRO 30 6.496 7.353 4.593 230 HA PRO 31 HA PRO 31 7.389 3.589 8.705 231 HB2 PRO 31 2HB PRO 31 6.809 1.771 10.632 232 HB3 PRO 31 3HB PRO 31 7.872 3.181 10.922 233 HG2 PRO 31 2HG PRO 31 4.900 2.961 11.543 234 HG3 PRO 31 3HG PRO 31 6.226 3.442 12.654 235 HD2 PRO 31 2HD PRO 31 4.768 5.315 11.347 236 HD3 PRO 31 3HD PRO 31 6.533 5.495 11.545 237 H SER 32 H SER 32 3.859 3.454 9.395 238 HA SER 32 HA SER 32 3.572 1.222 7.452 239 HB2 SER 32 2HB SER 32 2.320 -0.108 9.098 240 HB3 SER 32 3HB SER 32 3.990 0.172 9.593 241 HG SER 32 HG SER 32 1.630 1.434 10.589 242 H SER 33 H SER 33 2.725 3.974 7.143 243 HA SER 33 HA SER 33 -0.228 3.563 7.113 244 HB2 SER 33 2HB SER 33 1.363 6.085 7.623 245 HB3 SER 33 3HB SER 33 -0.374 6.055 7.270 246 HG SER 33 HG SER 33 1.047 4.913 9.438 247 H CYS 34 H CYS 34 -1.452 4.281 5.495 248 HA CYS 34 HA CYS 34 -0.181 5.572 3.126 249 HB2 CYS 34 2HB CYS 34 -0.569 3.280 2.470 250 HB3 CYS 34 3HB CYS 34 -2.210 3.306 3.124 251 H ILE 35 H ILE 35 -1.591 6.973 1.998 252 HA ILE 35 HA ILE 35 -3.526 8.357 3.749 253 HB ILE 35 HB ILE 35 -1.794 9.118 1.489 254 HG12 ILE 35 2HG1 ILE 35 -1.667 11.229 2.737 255 HG13 ILE 35 3HG1 ILE 35 -2.953 10.700 3.819 256 HG21 ILE 35 1HG2 ILE 35 -3.015 11.077 0.795 257 HG22 ILE 35 2HG2 ILE 35 -3.929 9.632 0.383 258 HG23 ILE 35 3HG2 ILE 35 -4.410 10.620 1.785 259 HD11 ILE 35 1HD1 ILE 35 -1.480 8.947 4.746 260 HD12 ILE 35 2HD1 ILE 35 -0.206 9.397 3.586 261 HD13 ILE 35 3HD1 ILE 35 -0.713 10.537 4.843 262 H THR 36 H THR 36 -3.839 5.837 1.544 263 HA THR 36 HA THR 36 -6.812 6.370 1.586 264 HB THR 36 HB THR 36 -5.259 4.655 -0.352 265 HG1 THR 36 HG1 THR 36 -5.428 6.842 -0.881 266 HG21 THR 36 1HG2 THR 36 -8.278 4.932 0.033 267 HG22 THR 36 2HG2 THR 36 -7.490 4.199 -1.380 268 HG23 THR 36 3HG2 THR 36 -7.330 3.437 0.203 269 H VAL 37 H VAL 37 -4.328 3.887 2.364 270 HA VAL 37 HA VAL 37 -6.500 2.057 3.030 271 HB VAL 37 HB VAL 37 -3.590 1.276 3.158 272 HG11 VAL 37 1HG1 VAL 37 -6.173 -0.121 2.309 273 HG12 VAL 37 2HG1 VAL 37 -4.553 -0.829 2.139 274 HG13 VAL 37 3HG1 VAL 37 -5.169 -0.466 3.740 275 HG21 VAL 37 1HG2 VAL 37 -3.765 0.717 0.694 276 HG22 VAL 37 2HG2 VAL 37 -5.206 1.759 0.635 277 HG23 VAL 37 3HG2 VAL 37 -3.625 2.427 1.054 278 H GLU 38 H GLU 38 -6.750 0.795 4.798 279 HA GLU 38 HA GLU 38 -6.521 1.665 7.402 280 HB2 GLU 38 2HB GLU 38 -7.210 -0.834 5.963 281 HB3 GLU 38 3HB GLU 38 -6.653 -1.145 7.587 282 HG2 GLU 38 2HG GLU 38 -8.836 0.869 6.978 283 HG3 GLU 38 3HG GLU 38 -9.149 -0.844 7.257 284 H SER 39 H SER 39 -5.654 0.511 9.263 285 HA SER 39 HA SER 39 -2.718 0.465 9.082 286 HB2 SER 39 2HB SER 39 -3.783 1.933 10.687 287 HB3 SER 39 3HB SER 39 -4.524 0.535 11.479 288 HG SER 39 HG SER 39 -2.692 0.018 12.378 289 HA PRO 40 HA PRO 40 -0.871 -0.263 9.568 290 HB2 PRO 40 2HB PRO 40 1.151 -2.038 9.667 291 HB3 PRO 40 3HB PRO 40 0.393 -1.384 11.151 292 HG2 PRO 40 2HG PRO 40 -0.102 -4.051 9.811 293 HG3 PRO 40 3HG PRO 40 0.136 -3.707 11.549 294 HD2 PRO 40 2HD PRO 40 -2.349 -3.993 10.348 295 HD3 PRO 40 3HD PRO 40 -2.069 -3.013 11.809 296 H ILE 41 H ILE 41 0.442 -0.136 7.624 297 HA ILE 41 HA ILE 41 -0.145 -2.166 5.528 298 HB ILE 41 HB ILE 41 -1.028 0.353 5.349 299 HG12 ILE 41 2HG1 ILE 41 -0.935 0.179 2.861 300 HG13 ILE 41 3HG1 ILE 41 0.106 -1.238 3.023 301 HG21 ILE 41 1HG2 ILE 41 1.653 0.603 3.931 302 HG22 ILE 41 2HG2 ILE 41 0.356 1.801 4.024 303 HG23 ILE 41 3HG2 ILE 41 1.256 1.376 5.481 304 HD11 ILE 41 1HD1 ILE 41 -2.364 -1.697 2.658 305 HD12 ILE 41 2HD1 ILE 41 -1.694 -2.489 4.087 306 HD13 ILE 41 3HD1 ILE 41 -2.679 -1.013 4.260 307 H SER 42 H SER 42 1.484 -3.217 4.606 308 HA SER 42 HA SER 42 4.265 -2.499 5.382 309 HB2 SER 42 2HB SER 42 3.339 -5.016 4.039 310 HB3 SER 42 3HB SER 42 4.905 -4.699 4.803 311 HG SER 42 HG SER 42 2.341 -4.907 5.992 312 H GLU 43 H GLU 43 5.660 -1.655 4.021 313 HA GLU 43 HA GLU 43 4.881 -0.426 1.691 314 HB2 GLU 43 2HB GLU 43 7.442 -0.080 1.471 315 HB3 GLU 43 3HB GLU 43 6.615 0.488 2.907 316 HG2 GLU 43 2HG GLU 43 8.657 -0.494 3.617 317 HG3 GLU 43 3HG GLU 43 7.411 -1.484 4.215 318 H ASN 44 H ASN 44 6.244 -3.662 1.825 319 HA ASN 44 HA ASN 44 6.989 -3.765 -0.970 320 HB2 ASN 44 2HB ASN 44 7.382 -6.176 -0.430 321 HB3 ASN 44 3HB ASN 44 8.102 -5.102 0.768 322 HD21 ASN 44 1HD2 ASN 44 7.401 -5.073 2.826 323 HD22 ASN 44 2HD2 ASN 44 6.390 -6.416 3.371 324 H GLY 45 H GLY 45 3.903 -4.090 0.571 325 HA2 GLY 45 2HA GLY 45 2.744 -6.232 -0.850 326 HA3 GLY 45 3HA GLY 45 1.863 -4.914 -0.086 327 H TRP 46 H TRP 46 2.708 -2.769 -1.667 328 HA TRP 46 HA TRP 46 2.156 -1.558 -3.480 329 HB2 TRP 46 2HB TRP 46 3.590 -3.086 -4.721 330 HB3 TRP 46 3HB TRP 46 2.260 -4.188 -4.976 331 HD1 TRP 46 HD1 TRP 46 3.688 -0.965 -6.332 332 HE1 TRP 46 HE1 TRP 46 2.700 -0.581 -8.679 333 HE3 TRP 46 HE3 TRP 46 -0.042 -4.480 -6.235 334 HZ2 TRP 46 HZ2 TRP 46 0.534 -1.604 -10.262 335 HZ3 TRP 46 HZ3 TRP 46 -1.559 -4.740 -8.173 336 HH2 TRP 46 HH2 TRP 46 -1.295 -3.299 -10.181 337 H CYS 47 H CYS 47 0.410 -0.902 -4.887 338 HA CYS 47 HA CYS 47 -2.105 -2.363 -4.737 339 HB2 CYS 47 2HB CYS 47 -3.424 -0.767 -3.694 340 HB3 CYS 47 3HB CYS 47 -1.948 -0.662 -2.745 341 H ARG 48 H ARG 48 -3.714 -1.481 -6.223 342 HA ARG 48 HA ARG 48 -2.560 -1.089 -8.800 343 HB2 ARG 48 2HB ARG 48 -5.490 -0.931 -7.982 344 HB3 ARG 48 3HB ARG 48 -4.866 -1.187 -9.616 345 HG2 ARG 48 2HG ARG 48 -3.823 -3.327 -8.885 346 HG3 ARG 48 3HG ARG 48 -4.561 -3.114 -7.286 347 HD2 ARG 48 2HD ARG 48 -6.811 -2.992 -8.371 348 HD3 ARG 48 3HD ARG 48 -6.054 -3.297 -9.932 349 HE ARG 48 HE ARG 48 -5.386 -5.508 -9.169 350 HH11 ARG 48 1HH1 ARG 48 -7.913 -4.084 -7.073 351 HH12 ARG 48 2HH1 ARG 48 -8.257 -5.704 -6.458 352 HH21 ARG 48 1HH2 ARG 48 -6.055 -7.374 -8.376 353 HH22 ARG 48 2HH2 ARG 48 -7.365 -7.409 -7.180 354 H LEU 49 H LEU 49 -2.417 1.372 -6.889 355 HA LEU 49 HA LEU 49 -3.950 3.487 -7.986 356 HB2 LEU 49 2HB LEU 49 -2.658 3.493 -5.803 357 HB3 LEU 49 3HB LEU 49 -1.175 3.635 -6.743 358 HG LEU 49 HG LEU 49 -2.164 5.805 -7.723 359 HD11 LEU 49 1HD1 LEU 49 -4.060 5.472 -5.359 360 HD12 LEU 49 2HD1 LEU 49 -3.891 6.928 -6.357 361 HD13 LEU 49 3HD1 LEU 49 -4.534 5.442 -7.066 362 HD21 LEU 49 1HD2 LEU 49 -0.396 5.830 -6.044 363 HD22 LEU 49 2HD2 LEU 49 -1.548 7.153 -5.789 364 HD23 LEU 49 3HD2 LEU 49 -1.610 5.712 -4.754 365 H TYR 50 H TYR 50 -3.723 4.855 -9.683 366 HA TYR 50 HA TYR 50 -1.214 4.824 -11.275 367 HB2 TYR 50 2HB TYR 50 -3.400 3.481 -12.137 368 HB3 TYR 50 3HB TYR 50 -3.794 5.069 -12.772 369 HD1 TYR 50 HD1 TYR 50 -1.147 2.451 -12.585 370 HD2 TYR 50 HD2 TYR 50 -2.658 5.820 -14.797 371 HE1 TYR 50 HE1 TYR 50 0.473 1.978 -14.407 372 HE2 TYR 50 HE2 TYR 50 -1.025 5.359 -16.622 373 HH TYR 50 HH TYR 50 1.271 2.621 -16.421 374 H ALA 51 H ALA 51 -2.504 6.697 -9.255 375 HA ALA 51 HA ALA 51 -3.110 9.147 -10.597 376 HB1 ALA 51 1HB ALA 51 -2.867 10.129 -8.359 377 HB2 ALA 51 2HB ALA 51 -3.797 8.622 -8.281 378 HB3 ALA 51 3HB ALA 51 -2.091 8.642 -7.770 379 H GLY 52 H GLY 52 -1.880 10.914 -11.083 380 HA2 GLY 52 2HA GLY 52 0.762 10.392 -11.975 381 HA3 GLY 52 3HA GLY 52 -0.066 11.941 -12.058 382 H LYS 53 H LYS 53 2.704 11.485 -11.538 383 HA LYS 53 HA LYS 53 3.279 12.015 -8.722 384 HB2 LYS 53 2HB LYS 53 4.863 11.710 -11.250 385 HB3 LYS 53 3HB LYS 53 5.606 12.588 -9.925 386 HG2 LYS 53 2HG LYS 53 6.265 10.265 -9.910 387 HG3 LYS 53 3HG LYS 53 5.477 10.765 -8.420 388 HD2 LYS 53 2HD LYS 53 3.453 9.552 -8.969 389 HD3 LYS 53 3HD LYS 53 4.063 9.184 -10.597 390 HE2 LYS 53 2HE LYS 53 5.990 7.963 -9.580 391 HE3 LYS 53 3HE LYS 53 5.339 8.292 -7.964 392 HZ1 LYS 53 1HZ LYS 53 4.706 6.084 -8.781 393 HZ2 LYS 53 2HZ LYS 53 3.361 7.031 -8.572 394 HZ3 LYS 53 3HZ LYS 53 3.939 6.745 -10.072 395 H ALA 54 H ALA 54 1.571 13.697 -8.927 396 HA ALA 54 HA ALA 54 2.838 16.291 -8.462 397 HB1 ALA 54 1HB ALA 54 0.683 15.996 -10.610 398 HB2 ALA 54 2HB ALA 54 1.257 17.537 -9.941 399 HB3 ALA 54 3HB ALA 54 2.366 16.508 -10.864 Start of MODEL 3 1 H1 VAL 1 1H VAL 1 -13.136 15.731 5.240 2 H2 VAL 1 2H VAL 1 -12.138 16.292 6.402 3 H3 VAL 1 3H VAL 1 -12.958 14.877 6.638 4 HA VAL 1 HA VAL 1 -10.876 15.340 4.607 5 HB VAL 1 HB VAL 1 -9.519 13.683 5.795 6 HG11 VAL 1 1HG1 VAL 1 -10.166 16.230 7.346 7 HG12 VAL 1 2HG1 VAL 1 -8.664 15.299 7.425 8 HG13 VAL 1 3HG1 VAL 1 -9.110 16.112 5.918 9 HG21 VAL 1 1HG2 VAL 1 -11.284 12.668 7.278 10 HG22 VAL 1 2HG2 VAL 1 -9.845 13.219 8.140 11 HG23 VAL 1 3HG2 VAL 1 -11.319 14.191 8.204 12 H THR 2 H THR 2 -10.502 13.841 3.101 13 HA THR 2 HA THR 2 -12.681 12.404 2.056 14 HB THR 2 HB THR 2 -9.696 12.270 1.516 15 HG1 THR 2 HG1 THR 2 -11.120 13.252 -0.449 16 HG21 THR 2 1HG2 THR 2 -11.909 11.141 -0.241 17 HG22 THR 2 2HG2 THR 2 -10.203 11.338 -0.692 18 HG23 THR 2 3HG2 THR 2 -10.636 10.194 0.570 19 H LYS 3 H LYS 3 -13.468 10.345 2.208 20 HA LYS 3 HA LYS 3 -12.528 8.582 4.286 21 HB2 LYS 3 2HB LYS 3 -14.898 8.825 3.511 22 HB3 LYS 3 3HB LYS 3 -14.463 7.969 2.021 23 HG2 LYS 3 2HG LYS 3 -13.739 6.012 3.440 24 HG3 LYS 3 3HG LYS 3 -14.293 6.889 4.872 25 HD2 LYS 3 2HD LYS 3 -16.594 6.887 3.996 26 HD3 LYS 3 3HD LYS 3 -16.042 6.091 2.504 27 HE2 LYS 3 2HE LYS 3 -15.239 4.143 3.799 28 HE3 LYS 3 3HE LYS 3 -15.697 4.948 5.305 29 HZ1 LYS 3 1HZ LYS 3 -17.549 3.920 3.228 30 HZ2 LYS 3 2HZ LYS 3 -17.395 3.446 4.783 31 HZ3 LYS 3 3HZ LYS 3 -18.028 4.930 4.442 32 H LYS 4 H LYS 4 -11.262 6.861 4.276 33 HA LYS 4 HA LYS 4 -9.553 6.165 2.013 34 HB2 LYS 4 2HB LYS 4 -9.798 4.926 4.797 35 HB3 LYS 4 3HB LYS 4 -8.488 4.659 3.634 36 HG2 LYS 4 2HG LYS 4 -8.068 7.151 3.665 37 HG3 LYS 4 3HG LYS 4 -9.224 7.288 4.982 38 HD2 LYS 4 2HD LYS 4 -7.096 7.270 6.018 39 HD3 LYS 4 3HD LYS 4 -7.827 5.688 6.339 40 HE2 LYS 4 2HE LYS 4 -6.523 4.727 4.441 41 HE3 LYS 4 3HE LYS 4 -5.784 6.304 4.146 42 HZ1 LYS 4 1HZ LYS 4 -4.688 6.168 6.274 43 HZ2 LYS 4 2HZ LYS 4 -5.526 4.813 6.706 44 HZ3 LYS 4 3HZ LYS 4 -4.421 4.799 5.457 45 H ALA 5 H ALA 5 -9.088 3.801 1.664 46 HA ALA 5 HA ALA 5 -11.644 2.342 1.098 47 HB1 ALA 5 1HB ALA 5 -8.938 2.145 -0.248 48 HB2 ALA 5 2HB ALA 5 -10.329 1.122 -0.603 49 HB3 ALA 5 3HB ALA 5 -10.438 2.860 -0.905 50 H SER 6 H SER 6 -11.848 0.143 1.489 51 HA SER 6 HA SER 6 -10.288 -1.044 3.648 52 HB2 SER 6 2HB SER 6 -11.581 -3.042 3.266 53 HB3 SER 6 3HB SER 6 -12.660 -1.644 3.257 54 HG SER 6 HG SER 6 -13.247 -2.825 1.497 55 H HIS 7 H HIS 7 -8.904 -2.854 3.455 56 HA HIS 7 HA HIS 7 -6.956 -2.894 1.399 57 HB2 HIS 7 2HB HIS 7 -7.929 -5.053 3.308 58 HB3 HIS 7 3HB HIS 7 -6.591 -5.309 2.214 59 HD2 HIS 7 HD2 HIS 7 -6.880 -1.886 4.065 60 HE1 HIS 7 HE1 HIS 7 -3.599 -4.001 5.759 61 HE2 HIS 7 HE2 HIS 7 -4.796 -1.751 5.628 62 H LYS 8 H LYS 8 -9.995 -4.696 1.522 63 HA LYS 8 HA LYS 8 -9.770 -6.252 -0.867 64 HB2 LYS 8 2HB LYS 8 -12.244 -5.014 0.414 65 HB3 LYS 8 3HB LYS 8 -12.259 -6.303 -0.777 66 HG2 LYS 8 2HG LYS 8 -10.934 -6.568 1.957 67 HG3 LYS 8 3HG LYS 8 -12.627 -6.915 1.621 68 HD2 LYS 8 2HD LYS 8 -12.018 -8.684 0.030 69 HD3 LYS 8 3HD LYS 8 -10.309 -8.267 0.172 70 HE2 LYS 8 2HE LYS 8 -10.696 -10.239 1.482 71 HE3 LYS 8 3HE LYS 8 -10.356 -8.901 2.584 72 HZ1 LYS 8 1HZ LYS 8 -13.079 -9.896 1.925 73 HZ2 LYS 8 2HZ LYS 8 -12.244 -10.260 3.307 74 HZ3 LYS 8 3HZ LYS 8 -12.740 -8.733 3.023 75 H ASP 9 H ASP 9 -11.431 -3.141 -0.413 76 HA ASP 9 HA ASP 9 -12.182 -2.815 -3.122 77 HB2 ASP 9 2HB ASP 9 -12.901 -1.596 -0.903 78 HB3 ASP 9 3HB ASP 9 -11.645 -0.468 -1.323 79 H ALA 10 H ALA 10 -9.272 -1.801 -1.483 80 HA ALA 10 HA ALA 10 -8.140 -0.409 -3.811 81 HB1 ALA 10 1HB ALA 10 -6.878 -1.205 -1.179 82 HB2 ALA 10 2HB ALA 10 -6.272 0.016 -2.327 83 HB3 ALA 10 3HB ALA 10 -7.787 0.303 -1.455 84 H GLY 11 H GLY 11 -8.404 -3.716 -3.159 85 HA2 GLY 11 2HA GLY 11 -7.592 -5.503 -4.350 86 HA3 GLY 11 3HA GLY 11 -6.590 -4.413 -5.315 87 H TYR 12 H TYR 12 -6.224 -4.406 -1.823 88 HA TYR 12 HA TYR 12 -3.409 -4.717 -1.947 89 HB2 TYR 12 2HB TYR 12 -4.833 -3.529 -0.230 90 HB3 TYR 12 3HB TYR 12 -5.260 -5.103 0.419 91 HD1 TYR 12 HD1 TYR 12 -2.503 -2.661 -0.072 92 HD2 TYR 12 HD2 TYR 12 -3.776 -6.261 1.923 93 HE1 TYR 12 HE1 TYR 12 -0.604 -2.456 1.500 94 HE2 TYR 12 HE2 TYR 12 -1.824 -6.077 3.478 95 HH TYR 12 HH TYR 12 -0.099 -4.825 4.168 96 H GLN 13 H GLN 13 -2.000 -6.408 -1.227 97 HA GLN 13 HA GLN 13 -3.174 -9.151 -1.401 98 HB2 GLN 13 2HB GLN 13 -1.271 -9.600 -3.112 99 HB3 GLN 13 3HB GLN 13 -2.785 -8.884 -3.586 100 HG2 GLN 13 2HG GLN 13 -1.654 -6.592 -3.544 101 HG3 GLN 13 3HG GLN 13 -0.122 -7.450 -3.341 102 HE21 GLN 13 1HE2 GLN 13 0.891 -8.311 -5.057 103 HE22 GLN 13 2HE2 GLN 13 0.190 -8.086 -6.662 104 H GLU 14 H GLU 14 -1.751 -10.934 -1.105 105 HA GLU 14 HA GLU 14 -0.326 -10.713 1.369 106 HB2 GLU 14 2HB GLU 14 0.122 -13.083 1.110 107 HB3 GLU 14 3HB GLU 14 -1.558 -12.709 0.725 108 HG2 GLU 14 2HG GLU 14 -0.941 -12.812 -1.715 109 HG3 GLU 14 3HG GLU 14 0.689 -13.304 -1.251 110 H SER 15 H SER 15 0.826 -10.177 -1.836 111 HA SER 15 HA SER 15 3.360 -9.339 -0.787 112 HB2 SER 15 2HB SER 15 4.596 -10.754 -2.624 113 HB3 SER 15 3HB SER 15 4.249 -11.383 -1.013 114 HG SER 15 HG SER 15 3.679 -12.945 -2.390 115 HA PRO 16 HA PRO 16 2.893 -6.525 -4.134 116 HB2 PRO 16 2HB PRO 16 5.421 -5.576 -4.525 117 HB3 PRO 16 3HB PRO 16 4.503 -5.278 -3.017 118 HG2 PRO 16 2HG PRO 16 6.652 -7.334 -3.562 119 HG3 PRO 16 3HG PRO 16 6.455 -6.285 -2.125 120 HD2 PRO 16 2HD PRO 16 5.616 -8.915 -2.313 121 HD3 PRO 16 3HD PRO 16 4.865 -7.750 -1.199 122 H ASN 17 H ASN 17 3.306 -6.158 -6.498 123 HA ASN 17 HA ASN 17 3.920 -8.730 -7.776 124 HB2 ASN 17 2HB ASN 17 2.864 -7.645 -9.793 125 HB3 ASN 17 3HB ASN 17 1.899 -8.148 -8.421 126 HD21 ASN 17 1HD2 ASN 17 0.152 -6.799 -8.541 127 HD22 ASN 17 2HD2 ASN 17 0.333 -5.057 -8.344 128 H GLY 18 H GLY 18 6.190 -8.273 -7.058 129 HA2 GLY 18 2HA GLY 18 8.352 -8.326 -7.852 130 HA3 GLY 18 3HA GLY 18 7.729 -7.977 -9.458 131 H ALA 19 H ALA 19 8.089 -6.020 -10.319 132 HA ALA 19 HA ALA 19 9.951 -4.232 -9.068 133 HB1 ALA 19 1HB ALA 19 8.366 -3.994 -11.659 134 HB2 ALA 19 2HB ALA 19 9.793 -3.035 -11.219 135 HB3 ALA 19 3HB ALA 19 9.948 -4.786 -11.457 136 H LYS 20 H LYS 20 6.581 -4.281 -8.631 137 HA LYS 20 HA LYS 20 6.525 -1.381 -7.888 138 HB2 LYS 20 2HB LYS 20 4.084 -3.016 -8.606 139 HB3 LYS 20 3HB LYS 20 4.246 -1.285 -8.444 140 HG2 LYS 20 2HG LYS 20 4.182 -1.396 -10.677 141 HG3 LYS 20 3HG LYS 20 5.923 -1.563 -10.517 142 HD2 LYS 20 2HD LYS 20 5.718 -4.000 -10.925 143 HD3 LYS 20 3HD LYS 20 3.957 -3.892 -10.824 144 HE2 LYS 20 2HE LYS 20 4.121 -2.159 -12.750 145 HE3 LYS 20 3HE LYS 20 5.781 -2.724 -12.948 146 HZ1 LYS 20 1HZ LYS 20 4.801 -5.000 -13.267 147 HZ2 LYS 20 2HZ LYS 20 3.305 -4.335 -13.287 148 HZ3 LYS 20 3HZ LYS 20 4.363 -3.900 -14.437 149 H ARG 21 H ARG 21 6.114 -0.909 -5.822 150 HA ARG 21 HA ARG 21 4.546 -2.655 -4.052 151 HB2 ARG 21 2HB ARG 21 6.146 -3.203 -2.525 152 HB3 ARG 21 3HB ARG 21 7.154 -3.212 -3.957 153 HG2 ARG 21 2HG ARG 21 7.816 -0.781 -3.321 154 HG3 ARG 21 3HG ARG 21 6.982 -1.077 -1.795 155 HD2 ARG 21 2HD ARG 21 8.449 -3.166 -1.545 156 HD3 ARG 21 3HD ARG 21 9.437 -2.471 -2.829 157 HE ARG 21 HE ARG 21 9.029 -1.431 -0.069 158 HH11 ARG 21 1HH1 ARG 21 10.593 -0.726 -3.175 159 HH12 ARG 21 2HH1 ARG 21 11.740 0.351 -2.405 160 HH21 ARG 21 1HH2 ARG 21 10.575 -0.232 0.780 161 HH22 ARG 21 2HH2 ARG 21 11.625 0.757 -0.224 162 H CYS 22 H CYS 22 4.374 -1.415 -1.770 163 HA CYS 22 HA CYS 22 3.708 1.336 -1.964 164 HB2 CYS 22 2HB CYS 22 4.541 -0.297 0.468 165 HB3 CYS 22 3HB CYS 22 3.641 1.240 0.471 166 H GLY 23 H GLY 23 6.225 0.841 0.428 167 HA2 GLY 23 2HA GLY 23 8.130 2.089 0.855 168 HA3 GLY 23 3HA GLY 23 8.572 1.451 -0.722 169 H THR 24 H THR 24 9.088 2.945 -2.287 170 HA THR 24 HA THR 24 8.880 5.786 -1.718 171 HB THR 24 HB THR 24 9.720 4.873 -4.439 172 HG1 THR 24 HG1 THR 24 10.774 3.384 -3.348 173 HG21 THR 24 1HG2 THR 24 11.490 6.545 -4.071 174 HG22 THR 24 2HG2 THR 24 9.902 7.269 -3.780 175 HG23 THR 24 3HG2 THR 24 10.925 6.805 -2.404 176 H CYS 25 H CYS 25 6.377 4.017 -2.407 177 HA CYS 25 HA CYS 25 5.003 5.080 -4.601 178 HB2 CYS 25 2HB CYS 25 4.164 3.212 -3.279 179 HB3 CYS 25 3HB CYS 25 3.968 4.249 -1.853 180 H ARG 26 H ARG 26 3.560 6.674 -4.892 181 HA ARG 26 HA ARG 26 4.209 9.295 -4.220 182 HB2 ARG 26 2HB ARG 26 1.331 8.563 -4.768 183 HB3 ARG 26 3HB ARG 26 2.244 9.971 -5.282 184 HG2 ARG 26 2HG ARG 26 3.395 8.656 -7.008 185 HG3 ARG 26 3HG ARG 26 2.591 7.169 -6.433 186 HD2 ARG 26 2HD ARG 26 0.381 8.216 -6.815 187 HD3 ARG 26 3HD ARG 26 1.177 9.638 -7.506 188 HE ARG 26 HE ARG 26 2.120 7.424 -8.972 189 HH11 ARG 26 1HH1 ARG 26 -1.082 8.768 -8.313 190 HH12 ARG 26 2HH1 ARG 26 -1.698 8.262 -9.871 191 HH21 ARG 26 1HH2 ARG 26 1.261 7.006 -11.058 192 HH22 ARG 26 2HH2 ARG 26 -0.424 7.327 -11.337 193 H GLN 27 H GLN 27 2.061 7.168 -2.423 194 HA GLN 27 HA GLN 27 1.372 9.398 -0.554 195 HB2 GLN 27 2HB GLN 27 -0.834 8.474 -0.315 196 HB3 GLN 27 3HB GLN 27 -0.501 8.961 -1.960 197 HG2 GLN 27 2HG GLN 27 0.072 6.082 -1.424 198 HG3 GLN 27 3HG GLN 27 -1.601 6.534 -1.174 199 HE21 GLN 27 1HE2 GLN 27 0.744 5.782 -3.627 200 HE22 GLN 27 2HE2 GLN 27 -0.288 6.246 -4.958 201 H PHE 28 H PHE 28 3.345 6.924 -0.405 202 HA PHE 28 HA PHE 28 2.488 5.825 2.202 203 HB2 PHE 28 2HB PHE 28 3.783 4.437 0.594 204 HB3 PHE 28 3HB PHE 28 5.115 5.562 0.719 205 HD1 PHE 28 HD1 PHE 28 2.924 3.334 2.819 206 HD2 PHE 28 HD2 PHE 28 6.794 5.180 2.367 207 HE1 PHE 28 HE1 PHE 28 3.763 2.072 4.790 208 HE2 PHE 28 HE2 PHE 28 7.629 3.903 4.325 209 HZ PHE 28 HZ PHE 28 6.110 2.363 5.552 210 H ARG 29 H ARG 29 3.347 6.400 4.176 211 HA ARG 29 HA ARG 29 5.577 8.324 4.227 212 HB2 ARG 29 2HB ARG 29 3.253 9.481 4.537 213 HB3 ARG 29 3HB ARG 29 3.266 8.736 6.131 214 HG2 ARG 29 2HG ARG 29 4.113 10.976 6.350 215 HG3 ARG 29 3HG ARG 29 5.501 9.897 6.550 216 HD2 ARG 29 2HD ARG 29 6.143 10.308 4.189 217 HD3 ARG 29 3HD ARG 29 4.733 11.361 3.976 218 HE ARG 29 HE ARG 29 5.928 12.634 6.011 219 HH11 ARG 29 1HH1 ARG 29 7.451 11.441 3.051 220 HH12 ARG 29 2HH1 ARG 29 8.714 12.656 3.179 221 HH21 ARG 29 1HH2 ARG 29 7.488 13.992 6.109 222 HH22 ARG 29 2HH2 ARG 29 8.755 14.101 4.884 223 HA PRO 30 HA PRO 30 6.877 5.126 7.049 224 HB2 PRO 30 2HB PRO 30 9.003 7.118 7.796 225 HB3 PRO 30 3HB PRO 30 9.178 5.388 7.385 226 HG2 PRO 30 2HG PRO 30 9.820 7.310 5.576 227 HG3 PRO 30 3HG PRO 30 8.948 5.832 5.058 228 HD2 PRO 30 2HD PRO 30 7.809 8.579 5.634 229 HD3 PRO 30 3HD PRO 30 7.475 7.464 4.271 230 HA PRO 31 HA PRO 31 7.907 4.269 9.059 231 HB2 PRO 31 2HB PRO 31 6.977 2.890 11.202 232 HB3 PRO 31 3HB PRO 31 8.138 4.241 11.345 233 HG2 PRO 31 2HG PRO 31 5.127 4.338 11.727 234 HG3 PRO 31 3HG PRO 31 6.402 4.995 12.801 235 HD2 PRO 31 2HD PRO 31 5.086 6.542 10.959 236 HD3 PRO 31 3HD PRO 31 6.807 6.811 11.364 237 H SER 32 H SER 32 4.346 4.515 9.232 238 HA SER 32 HA SER 32 4.032 2.000 7.693 239 HB2 SER 32 2HB SER 32 2.698 0.986 9.585 240 HB3 SER 32 3HB SER 32 4.425 1.144 9.871 241 HG SER 32 HG SER 32 2.385 2.881 10.861 242 H SER 33 H SER 33 3.065 4.763 7.070 243 HA SER 33 HA SER 33 0.108 4.225 7.192 244 HB2 SER 33 2HB SER 33 1.583 6.843 7.536 245 HB3 SER 33 3HB SER 33 -0.168 6.699 7.280 246 HG SER 33 HG SER 33 0.994 6.625 9.580 247 H CYS 34 H CYS 34 -1.123 4.505 5.443 248 HA CYS 34 HA CYS 34 -0.021 5.717 2.948 249 HB2 CYS 34 2HB CYS 34 0.158 3.345 2.523 250 HB3 CYS 34 3HB CYS 34 -1.438 3.033 3.239 251 H ILE 35 H ILE 35 -1.541 6.891 1.760 252 HA ILE 35 HA ILE 35 -3.969 7.609 3.243 253 HB ILE 35 HB ILE 35 -2.278 9.142 1.797 254 HG12 ILE 35 2HG1 ILE 35 -4.100 10.882 1.712 255 HG13 ILE 35 3HG1 ILE 35 -5.241 9.655 2.266 256 HG21 ILE 35 1HG2 ILE 35 -4.645 8.884 -0.103 257 HG22 ILE 35 2HG2 ILE 35 -3.181 9.860 -0.290 258 HG23 ILE 35 3HG2 ILE 35 -3.089 8.095 -0.394 259 HD11 ILE 35 1HD1 ILE 35 -2.745 10.567 3.777 260 HD12 ILE 35 2HD1 ILE 35 -4.399 11.125 4.089 261 HD13 ILE 35 3HD1 ILE 35 -3.974 9.434 4.390 262 H THR 36 H THR 36 -3.253 5.445 0.603 263 HA THR 36 HA THR 36 -5.912 5.516 -0.582 264 HB THR 36 HB THR 36 -3.834 3.306 -0.811 265 HG1 THR 36 HG1 THR 36 -2.840 4.475 -2.154 266 HG21 THR 36 1HG2 THR 36 -4.926 2.893 -2.983 267 HG22 THR 36 2HG2 THR 36 -6.113 2.741 -1.692 268 HG23 THR 36 3HG2 THR 36 -6.068 4.214 -2.692 269 H VAL 37 H VAL 37 -4.190 3.288 1.610 270 HA VAL 37 HA VAL 37 -6.723 1.795 2.104 271 HB VAL 37 HB VAL 37 -5.215 -0.079 2.786 272 HG11 VAL 37 1HG1 VAL 37 -4.902 0.889 -0.074 273 HG12 VAL 37 2HG1 VAL 37 -4.751 -0.781 0.514 274 HG13 VAL 37 3HG1 VAL 37 -6.317 0.050 0.618 275 HG21 VAL 37 1HG2 VAL 37 -2.902 -0.111 1.987 276 HG22 VAL 37 2HG2 VAL 37 -3.007 1.572 1.475 277 HG23 VAL 37 3HG2 VAL 37 -3.112 1.159 3.205 278 H GLU 38 H GLU 38 -7.391 1.147 4.057 279 HA GLU 38 HA GLU 38 -6.744 2.468 6.457 280 HB2 GLU 38 2HB GLU 38 -7.909 -0.185 5.767 281 HB3 GLU 38 3HB GLU 38 -7.499 0.050 7.413 282 HG2 GLU 38 2HG GLU 38 -9.351 1.863 5.814 283 HG3 GLU 38 3HG GLU 38 -9.837 0.641 6.991 284 H SER 39 H SER 39 -5.553 2.088 8.126 285 HA SER 39 HA SER 39 -2.972 0.685 7.719 286 HB2 SER 39 2HB SER 39 -3.827 3.562 8.018 287 HB3 SER 39 3HB SER 39 -2.326 3.084 8.712 288 HG SER 39 HG SER 39 -3.102 2.570 6.007 289 HA PRO 40 HA PRO 40 -0.839 1.661 9.364 290 HB2 PRO 40 2HB PRO 40 0.798 -0.093 10.656 291 HB3 PRO 40 3HB PRO 40 0.155 1.393 11.410 292 HG2 PRO 40 2HG PRO 40 -0.931 -1.421 11.640 293 HG3 PRO 40 3HG PRO 40 -0.600 -0.249 12.952 294 HD2 PRO 40 2HD PRO 40 -3.097 -0.574 11.903 295 HD3 PRO 40 3HD PRO 40 -2.507 1.034 12.408 296 H ILE 41 H ILE 41 0.614 0.813 7.917 297 HA ILE 41 HA ILE 41 -0.213 -1.681 6.526 298 HB ILE 41 HB ILE 41 -0.927 0.706 5.654 299 HG12 ILE 41 2HG1 ILE 41 -0.807 -0.038 3.307 300 HG13 ILE 41 3HG1 ILE 41 0.205 -1.400 3.777 301 HG21 ILE 41 1HG2 ILE 41 1.832 0.556 4.387 302 HG22 ILE 41 2HG2 ILE 41 0.584 1.777 4.134 303 HG23 ILE 41 3HG2 ILE 41 1.377 1.663 5.709 304 HD11 ILE 41 1HD1 ILE 41 -1.614 -2.383 5.069 305 HD12 ILE 41 2HD1 ILE 41 -2.548 -0.875 4.984 306 HD13 ILE 41 3HD1 ILE 41 -2.324 -1.853 3.538 307 H SER 42 H SER 42 1.383 -2.617 5.068 308 HA SER 42 HA SER 42 4.123 -2.497 6.184 309 HB2 SER 42 2HB SER 42 2.906 -4.276 4.045 310 HB3 SER 42 3HB SER 42 4.557 -4.395 4.676 311 HG SER 42 HG SER 42 3.195 -5.852 5.658 312 H GLU 43 H GLU 43 5.896 -1.709 5.082 313 HA GLU 43 HA GLU 43 5.563 0.093 2.877 314 HB2 GLU 43 2HB GLU 43 7.946 0.330 2.937 315 HB3 GLU 43 3HB GLU 43 7.329 0.243 4.571 316 HG2 GLU 43 2HG GLU 43 9.013 -1.234 4.862 317 HG3 GLU 43 3HG GLU 43 7.859 -2.395 4.276 318 H ASN 44 H ASN 44 5.531 -3.207 2.729 319 HA ASN 44 HA ASN 44 6.103 -3.245 -0.200 320 HB2 ASN 44 2HB ASN 44 6.788 -5.680 0.198 321 HB3 ASN 44 3HB ASN 44 7.853 -4.452 0.874 322 HD21 ASN 44 1HD2 ASN 44 8.400 -4.527 2.898 323 HD22 ASN 44 2HD2 ASN 44 7.657 -5.675 4.019 324 H GLY 45 H GLY 45 3.508 -2.751 1.358 325 HA2 GLY 45 2HA GLY 45 1.769 -4.948 1.281 326 HA3 GLY 45 3HA GLY 45 1.342 -3.247 1.192 327 H TRP 46 H TRP 46 1.896 -2.308 -1.061 328 HA TRP 46 HA TRP 46 1.375 -1.969 -3.198 329 HB2 TRP 46 2HB TRP 46 2.378 -4.162 -3.849 330 HB3 TRP 46 3HB TRP 46 0.796 -4.904 -3.637 331 HD1 TRP 46 HD1 TRP 46 2.802 -2.780 -6.004 332 HE1 TRP 46 HE1 TRP 46 1.456 -2.175 -8.104 333 HE3 TRP 46 HE3 TRP 46 -1.783 -4.635 -4.629 334 HZ2 TRP 46 HZ2 TRP 46 -1.247 -2.377 -9.032 335 HZ3 TRP 46 HZ3 TRP 46 -3.723 -4.402 -6.146 336 HH2 TRP 46 HH2 TRP 46 -3.470 -3.265 -8.341 337 H CYS 47 H CYS 47 -0.365 -0.960 -3.927 338 HA CYS 47 HA CYS 47 -2.964 -2.313 -3.927 339 HB2 CYS 47 2HB CYS 47 -4.160 -0.695 -2.738 340 HB3 CYS 47 3HB CYS 47 -2.659 -0.754 -1.798 341 H ARG 48 H ARG 48 -4.595 -0.804 -5.057 342 HA ARG 48 HA ARG 48 -3.635 -0.086 -7.705 343 HB2 ARG 48 2HB ARG 48 -6.342 0.158 -6.310 344 HB3 ARG 48 3HB ARG 48 -6.065 0.640 -7.983 345 HG2 ARG 48 2HG ARG 48 -5.299 -1.672 -8.521 346 HG3 ARG 48 3HG ARG 48 -5.690 -2.177 -6.874 347 HD2 ARG 48 2HD ARG 48 -7.530 -2.780 -8.348 348 HD3 ARG 48 3HD ARG 48 -8.058 -1.502 -7.244 349 HE ARG 48 HE ARG 48 -7.047 -0.766 -9.961 350 HH11 ARG 48 1HH1 ARG 48 -10.048 -1.187 -8.121 351 HH12 ARG 48 2HH1 ARG 48 -10.767 0.181 -8.979 352 HH21 ARG 48 1HH2 ARG 48 -8.040 1.084 -10.706 353 HH22 ARG 48 2HH2 ARG 48 -9.782 1.248 -10.445 354 H LEU 49 H LEU 49 -3.497 1.776 -4.922 355 HA LEU 49 HA LEU 49 -3.362 3.877 -4.353 356 HB2 LEU 49 2HB LEU 49 -1.855 5.250 -5.508 357 HB3 LEU 49 3HB LEU 49 -1.314 3.587 -5.459 358 HG LEU 49 HG LEU 49 -1.820 3.351 -7.880 359 HD11 LEU 49 1HD1 LEU 49 -2.548 6.321 -7.706 360 HD12 LEU 49 2HD1 LEU 49 -2.207 5.441 -9.215 361 HD13 LEU 49 3HD1 LEU 49 -3.604 4.994 -8.253 362 HD21 LEU 49 1HD2 LEU 49 0.390 4.081 -7.072 363 HD22 LEU 49 2HD2 LEU 49 -0.004 4.791 -8.643 364 HD23 LEU 49 3HD2 LEU 49 -0.128 5.781 -7.172 365 H TYR 50 H TYR 50 -3.657 6.248 -4.658 366 HA TYR 50 HA TYR 50 -6.025 6.914 -6.357 367 HB2 TYR 50 2HB TYR 50 -6.899 6.185 -4.203 368 HB3 TYR 50 3HB TYR 50 -5.808 7.267 -3.348 369 HD1 TYR 50 HD1 TYR 50 -8.323 7.569 -6.170 370 HD2 TYR 50 HD2 TYR 50 -6.857 9.153 -2.436 371 HE1 TYR 50 HE1 TYR 50 -10.037 9.352 -6.249 372 HE2 TYR 50 HE2 TYR 50 -8.588 10.935 -2.516 373 HH TYR 50 HH TYR 50 -10.884 11.218 -5.263 374 H ALA 51 H ALA 51 -3.277 8.239 -4.440 375 HA ALA 51 HA ALA 51 -4.036 10.980 -5.112 376 HB1 ALA 51 1HB ALA 51 -1.629 9.938 -3.601 377 HB2 ALA 51 2HB ALA 51 -2.281 11.587 -3.570 378 HB3 ALA 51 3HB ALA 51 -3.219 10.257 -2.866 379 H GLY 52 H GLY 52 -2.495 12.567 -5.904 380 HA2 GLY 52 2HA GLY 52 -1.025 11.796 -8.254 381 HA3 GLY 52 3HA GLY 52 -1.178 13.416 -7.597 382 H LYS 53 H LYS 53 1.174 13.120 -8.480 383 HA LYS 53 HA LYS 53 3.160 11.952 -6.643 384 HB2 LYS 53 2HB LYS 53 3.460 13.606 -9.183 385 HB3 LYS 53 3HB LYS 53 4.794 12.977 -8.222 386 HG2 LYS 53 2HG LYS 53 4.631 11.496 -9.958 387 HG3 LYS 53 3HG LYS 53 3.924 10.647 -8.580 388 HD2 LYS 53 2HD LYS 53 1.664 11.131 -9.447 389 HD3 LYS 53 3HD LYS 53 2.347 12.030 -10.805 390 HE2 LYS 53 2HE LYS 53 2.781 9.068 -10.208 391 HE3 LYS 53 3HE LYS 53 1.628 9.700 -11.391 392 HZ1 LYS 53 1HZ LYS 53 3.544 10.563 -12.651 393 HZ2 LYS 53 2HZ LYS 53 4.579 9.915 -11.512 394 HZ3 LYS 53 3HZ LYS 53 3.640 8.947 -12.421 395 H ALA 54 H ALA 54 1.586 13.527 -5.375 396 HA ALA 54 HA ALA 54 1.119 15.336 -4.086 397 HB1 ALA 54 1HB ALA 54 2.814 14.190 -2.762 398 HB2 ALA 54 2HB ALA 54 4.094 15.138 -3.531 399 HB3 ALA 54 3HB ALA 54 2.886 15.938 -2.500 Start of MODEL 4 1 H1 VAL 1 1H VAL 1 -13.331 12.835 4.710 2 H2 VAL 1 2H VAL 1 -13.686 14.309 4.065 3 H3 VAL 1 3H VAL 1 -14.232 12.959 3.341 4 HA VAL 1 HA VAL 1 -14.978 13.816 6.052 5 HB VAL 1 HB VAL 1 -17.282 14.187 5.139 6 HG11 VAL 1 1HG1 VAL 1 -15.071 16.094 4.295 7 HG12 VAL 1 2HG1 VAL 1 -16.778 16.499 4.541 8 HG13 VAL 1 3HG1 VAL 1 -15.802 15.963 5.913 9 HG21 VAL 1 1HG2 VAL 1 -17.043 13.224 2.851 10 HG22 VAL 1 2HG2 VAL 1 -17.549 14.911 2.836 11 HG23 VAL 1 3HG2 VAL 1 -15.871 14.512 2.452 12 H THR 2 H THR 2 -15.740 11.442 3.423 13 HA THR 2 HA THR 2 -16.916 9.662 5.496 14 HB THR 2 HB THR 2 -18.195 9.720 3.538 15 HG1 THR 2 HG1 THR 2 -16.954 7.345 2.953 16 HG21 THR 2 1HG2 THR 2 -15.675 9.050 1.996 17 HG22 THR 2 2HG2 THR 2 -17.322 8.864 1.339 18 HG23 THR 2 3HG2 THR 2 -16.744 10.460 1.804 19 H LYS 3 H LYS 3 -16.195 7.358 5.402 20 HA LYS 3 HA LYS 3 -13.601 7.214 6.550 21 HB2 LYS 3 2HB LYS 3 -15.563 5.881 7.162 22 HB3 LYS 3 3HB LYS 3 -15.548 5.074 5.592 23 HG2 LYS 3 2HG LYS 3 -13.462 3.933 6.137 24 HG3 LYS 3 3HG LYS 3 -13.309 4.851 7.656 25 HD2 LYS 3 2HD LYS 3 -15.369 3.852 8.514 26 HD3 LYS 3 3HD LYS 3 -15.667 3.046 6.964 27 HE2 LYS 3 2HE LYS 3 -13.654 1.679 7.230 28 HE3 LYS 3 3HE LYS 3 -13.266 2.500 8.749 29 HZ1 LYS 3 1HZ LYS 3 -15.762 0.967 8.286 30 HZ2 LYS 3 2HZ LYS 3 -14.434 0.376 9.084 31 HZ3 LYS 3 3HZ LYS 3 -15.274 1.658 9.703 32 H LYS 4 H LYS 4 -11.732 6.143 5.986 33 HA LYS 4 HA LYS 4 -10.614 6.280 3.413 34 HB2 LYS 4 2HB LYS 4 -9.898 4.495 5.772 35 HB3 LYS 4 3HB LYS 4 -8.896 4.743 4.342 36 HG2 LYS 4 2HG LYS 4 -8.894 7.220 4.815 37 HG3 LYS 4 3HG LYS 4 -9.789 6.905 6.295 38 HD2 LYS 4 2HD LYS 4 -7.449 7.180 6.834 39 HD3 LYS 4 3HD LYS 4 -7.960 5.519 7.163 40 HE2 LYS 4 2HE LYS 4 -6.983 4.861 4.915 41 HE3 LYS 4 3HE LYS 4 -6.356 6.503 4.757 42 HZ1 LYS 4 1HZ LYS 4 -5.060 6.134 6.779 43 HZ2 LYS 4 2HZ LYS 4 -5.691 4.643 6.982 44 HZ3 LYS 4 3HZ LYS 4 -4.705 4.949 5.691 45 H ALA 5 H ALA 5 -9.794 4.674 2.042 46 HA ALA 5 HA ALA 5 -11.679 2.593 1.269 47 HB1 ALA 5 1HB ALA 5 -8.872 3.213 0.269 48 HB2 ALA 5 2HB ALA 5 -10.035 2.110 -0.495 49 HB3 ALA 5 3HB ALA 5 -10.391 3.848 -0.407 50 H SER 6 H SER 6 -11.614 0.430 1.687 51 HA SER 6 HA SER 6 -9.705 -0.656 3.639 52 HB2 SER 6 2HB SER 6 -10.985 -2.677 3.496 53 HB3 SER 6 3HB SER 6 -12.123 -1.324 3.560 54 HG SER 6 HG SER 6 -12.853 -2.477 1.854 55 H HIS 7 H HIS 7 -8.387 -2.555 3.198 56 HA HIS 7 HA HIS 7 -6.957 -2.461 0.682 57 HB2 HIS 7 2HB HIS 7 -6.898 -4.298 3.065 58 HB3 HIS 7 3HB HIS 7 -6.048 -4.728 1.592 59 HD2 HIS 7 HD2 HIS 7 -6.188 -1.739 4.081 60 HE1 HIS 7 HE1 HIS 7 -2.449 -1.531 2.053 61 HE2 HIS 7 HE2 HIS 7 -3.883 -0.481 3.898 62 H LYS 8 H LYS 8 -9.873 -4.225 1.495 63 HA LYS 8 HA LYS 8 -9.955 -5.929 -0.853 64 HB2 LYS 8 2HB LYS 8 -12.197 -4.533 0.690 65 HB3 LYS 8 3HB LYS 8 -12.453 -5.736 -0.553 66 HG2 LYS 8 2HG LYS 8 -10.881 -6.271 1.980 67 HG3 LYS 8 3HG LYS 8 -12.630 -6.462 1.839 68 HD2 LYS 8 2HD LYS 8 -12.299 -8.048 -0.058 69 HD3 LYS 8 3HD LYS 8 -10.543 -7.936 0.157 70 HE2 LYS 8 2HE LYS 8 -10.639 -8.964 2.325 71 HE3 LYS 8 3HE LYS 8 -12.396 -8.757 2.417 72 HZ1 LYS 8 1HZ LYS 8 -12.643 -10.290 0.589 73 HZ2 LYS 8 2HZ LYS 8 -11.012 -10.549 0.508 74 HZ3 LYS 8 3HZ LYS 8 -11.875 -11.029 1.832 75 H ASP 9 H ASP 9 -11.427 -2.731 -0.269 76 HA ASP 9 HA ASP 9 -12.267 -2.314 -2.966 77 HB2 ASP 9 2HB ASP 9 -11.958 -0.654 -0.480 78 HB3 ASP 9 3HB ASP 9 -12.114 0.170 -2.001 79 H ALA 10 H ALA 10 -9.176 -1.641 -1.399 80 HA ALA 10 HA ALA 10 -8.095 -0.394 -3.816 81 HB1 ALA 10 1HB ALA 10 -6.717 -1.100 -1.209 82 HB2 ALA 10 2HB ALA 10 -6.171 0.059 -2.441 83 HB3 ALA 10 3HB ALA 10 -7.623 0.408 -1.492 84 H GLY 11 H GLY 11 -8.724 -3.533 -3.386 85 HA2 GLY 11 2HA GLY 11 -8.122 -5.327 -4.650 86 HA3 GLY 11 3HA GLY 11 -7.178 -4.213 -5.640 87 H TYR 12 H TYR 12 -6.586 -5.000 -2.228 88 HA TYR 12 HA TYR 12 -3.808 -5.355 -2.506 89 HB2 TYR 12 2HB TYR 12 -4.837 -4.628 -0.481 90 HB3 TYR 12 3HB TYR 12 -5.810 -6.090 -0.368 91 HD1 TYR 12 HD1 TYR 12 -2.424 -4.680 0.197 92 HD2 TYR 12 HD2 TYR 12 -4.974 -8.142 0.540 93 HE1 TYR 12 HE1 TYR 12 -0.783 -5.748 1.745 94 HE2 TYR 12 HE2 TYR 12 -3.348 -9.200 2.075 95 HH TYR 12 HH TYR 12 -1.388 -9.008 3.126 96 H GLN 13 H GLN 13 -2.412 -7.034 -2.294 97 HA GLN 13 HA GLN 13 -3.331 -9.852 -2.571 98 HB2 GLN 13 2HB GLN 13 -1.349 -10.196 -4.117 99 HB3 GLN 13 3HB GLN 13 -2.691 -9.335 -4.825 100 HG2 GLN 13 2HG GLN 13 -1.617 -7.216 -4.688 101 HG3 GLN 13 3HG GLN 13 -0.331 -7.866 -3.663 102 HE21 GLN 13 1HE2 GLN 13 1.121 -6.953 -5.135 103 HE22 GLN 13 2HE2 GLN 13 1.595 -8.021 -6.412 104 H GLU 14 H GLU 14 -1.668 -11.420 -2.100 105 HA GLU 14 HA GLU 14 -0.404 -11.150 0.380 106 HB2 GLU 14 2HB GLU 14 0.546 -13.317 -0.120 107 HB3 GLU 14 3HB GLU 14 -1.107 -13.233 -0.730 108 HG2 GLU 14 2HG GLU 14 -0.109 -12.703 -3.033 109 HG3 GLU 14 3HG GLU 14 1.472 -13.074 -2.347 110 H SER 15 H SER 15 0.849 -9.787 -2.518 111 HA SER 15 HA SER 15 3.600 -9.594 -1.392 112 HB2 SER 15 2HB SER 15 4.390 -10.304 -3.782 113 HB3 SER 15 3HB SER 15 3.890 -11.517 -2.631 114 HG SER 15 HG SER 15 2.795 -12.071 -4.384 115 HA PRO 16 HA PRO 16 3.999 -5.782 -3.880 116 HB2 PRO 16 2HB PRO 16 6.596 -6.940 -4.857 117 HB3 PRO 16 3HB PRO 16 6.274 -5.322 -4.169 118 HG2 PRO 16 2HG PRO 16 7.503 -7.212 -2.657 119 HG3 PRO 16 3HG PRO 16 6.205 -6.199 -1.955 120 HD2 PRO 16 2HD PRO 16 5.946 -9.022 -3.068 121 HD3 PRO 16 3HD PRO 16 5.393 -8.373 -1.503 122 H ASN 17 H ASN 17 3.787 -5.185 -6.116 123 HA ASN 17 HA ASN 17 3.159 -7.421 -8.001 124 HB2 ASN 17 2HB ASN 17 1.366 -5.850 -7.668 125 HB3 ASN 17 3HB ASN 17 2.420 -4.483 -7.895 126 HD21 ASN 17 1HD2 ASN 17 0.591 -4.011 -9.454 127 HD22 ASN 17 2HD2 ASN 17 0.707 -4.686 -11.076 128 H GLY 18 H GLY 18 5.315 -8.066 -8.386 129 HA2 GLY 18 2HA GLY 18 7.445 -8.006 -9.254 130 HA3 GLY 18 3HA GLY 18 6.869 -6.783 -10.381 131 H ALA 19 H ALA 19 7.706 -4.801 -10.194 132 HA ALA 19 HA ALA 19 9.540 -4.062 -8.016 133 HB1 ALA 19 1HB ALA 19 10.024 -3.633 -10.419 134 HB2 ALA 19 2HB ALA 19 8.622 -2.546 -10.499 135 HB3 ALA 19 3HB ALA 19 10.004 -2.141 -9.458 136 H LYS 20 H LYS 20 6.130 -3.581 -8.653 137 HA LYS 20 HA LYS 20 6.000 -0.942 -7.379 138 HB2 LYS 20 2HB LYS 20 3.858 -2.784 -8.466 139 HB3 LYS 20 3HB LYS 20 3.642 -1.094 -8.027 140 HG2 LYS 20 2HG LYS 20 4.595 -0.310 -9.941 141 HG3 LYS 20 3HG LYS 20 5.844 -1.536 -10.016 142 HD2 LYS 20 2HD LYS 20 4.310 -3.202 -10.853 143 HD3 LYS 20 3HD LYS 20 2.947 -2.105 -10.675 144 HE2 LYS 20 2HE LYS 20 4.035 -0.556 -12.342 145 HE3 LYS 20 3HE LYS 20 5.370 -1.704 -12.501 146 HZ1 LYS 20 1HZ LYS 20 3.832 -2.067 -14.271 147 HZ2 LYS 20 2HZ LYS 20 3.682 -3.359 -13.258 148 HZ3 LYS 20 3HZ LYS 20 2.540 -2.187 -13.252 149 H ARG 21 H ARG 21 5.682 -0.579 -5.318 150 HA ARG 21 HA ARG 21 4.035 -2.343 -3.661 151 HB2 ARG 21 2HB ARG 21 5.579 -3.060 -2.173 152 HB3 ARG 21 3HB ARG 21 6.559 -3.053 -3.619 153 HG2 ARG 21 2HG ARG 21 7.376 -0.681 -2.799 154 HG3 ARG 21 3HG ARG 21 6.645 -1.140 -1.271 155 HD2 ARG 21 2HD ARG 21 7.989 -3.340 -1.450 156 HD3 ARG 21 3HD ARG 21 8.907 -2.548 -2.730 157 HE ARG 21 HE ARG 21 8.903 -1.933 0.175 158 HH11 ARG 21 1HH1 ARG 21 9.933 -0.671 -2.976 159 HH12 ARG 21 2HH1 ARG 21 11.152 0.329 -2.228 160 HH21 ARG 21 1HH2 ARG 21 10.582 -0.859 0.956 161 HH22 ARG 21 2HH2 ARG 21 11.408 0.347 -0.030 162 H CYS 22 H CYS 22 4.200 -1.231 -1.251 163 HA CYS 22 HA CYS 22 3.642 1.603 -1.260 164 HB2 CYS 22 2HB CYS 22 4.585 -0.289 0.943 165 HB3 CYS 22 3HB CYS 22 3.743 1.264 1.147 166 H GLY 23 H GLY 23 6.009 1.169 0.984 167 HA2 GLY 23 2HA GLY 23 8.052 2.045 1.452 168 HA3 GLY 23 3HA GLY 23 8.493 1.510 -0.165 169 H THR 24 H THR 24 7.493 3.123 -1.877 170 HA THR 24 HA THR 24 6.909 5.788 -1.164 171 HB THR 24 HB THR 24 9.199 6.282 -1.031 172 HG1 THR 24 HG1 THR 24 8.099 7.850 -2.003 173 HG21 THR 24 1HG2 THR 24 10.789 5.998 -2.841 174 HG22 THR 24 2HG2 THR 24 10.169 4.433 -2.280 175 HG23 THR 24 3HG2 THR 24 9.577 5.131 -3.802 176 H CYS 25 H CYS 25 5.091 5.882 -2.338 177 HA CYS 25 HA CYS 25 4.944 4.570 -5.029 178 HB2 CYS 25 2HB CYS 25 2.844 3.478 -4.104 179 HB3 CYS 25 3HB CYS 25 4.317 2.998 -3.255 180 H ARG 26 H ARG 26 2.575 5.944 -2.900 181 HA ARG 26 HA ARG 26 2.029 8.286 -4.644 182 HB2 ARG 26 2HB ARG 26 0.538 6.282 -5.262 183 HB3 ARG 26 3HB ARG 26 -0.225 6.471 -3.675 184 HG2 ARG 26 2HG ARG 26 -0.804 8.845 -4.308 185 HG3 ARG 26 3HG ARG 26 -0.061 8.566 -5.889 186 HD2 ARG 26 2HD ARG 26 -1.728 6.746 -6.317 187 HD3 ARG 26 3HD ARG 26 -2.493 7.114 -4.756 188 HE ARG 26 HE ARG 26 -2.271 9.524 -6.235 189 HH11 ARG 26 1HH1 ARG 26 -4.144 6.552 -6.562 190 HH12 ARG 26 2HH1 ARG 26 -5.435 7.404 -7.379 191 HH21 ARG 26 1HH2 ARG 26 -4.019 10.517 -7.100 192 HH22 ARG 26 2HH2 ARG 26 -5.460 9.602 -7.448 193 H GLN 27 H GLN 27 1.273 6.671 -1.497 194 HA GLN 27 HA GLN 27 1.621 9.233 -0.131 195 HB2 GLN 27 2HB GLN 27 -1.067 7.878 0.227 196 HB3 GLN 27 3HB GLN 27 -0.489 9.391 0.921 197 HG2 GLN 27 2HG GLN 27 -0.608 10.501 -1.244 198 HG3 GLN 27 3HG GLN 27 -1.191 9.000 -1.995 199 HE21 GLN 27 1HE2 GLN 27 -3.233 8.052 -1.026 200 HE22 GLN 27 2HE2 GLN 27 -4.472 9.228 -0.550 201 H PHE 28 H PHE 28 3.082 6.720 0.135 202 HA PHE 28 HA PHE 28 2.125 5.044 2.159 203 HB2 PHE 28 2HB PHE 28 3.965 4.428 0.706 204 HB3 PHE 28 3HB PHE 28 4.963 5.725 1.336 205 HD1 PHE 28 HD1 PHE 28 2.923 2.967 2.985 206 HD2 PHE 28 HD2 PHE 28 6.740 4.918 2.586 207 HE1 PHE 28 HE1 PHE 28 3.887 1.405 4.638 208 HE2 PHE 28 HE2 PHE 28 7.711 3.346 4.246 209 HZ PHE 28 HZ PHE 28 6.279 1.599 5.284 210 H ARG 29 H ARG 29 4.251 7.866 2.669 211 HA ARG 29 HA ARG 29 5.093 8.892 4.528 212 HB2 ARG 29 2HB ARG 29 2.320 8.330 5.556 213 HB3 ARG 29 3HB ARG 29 3.541 9.138 6.526 214 HG2 ARG 29 2HG ARG 29 2.286 10.855 5.568 215 HG3 ARG 29 3HG ARG 29 3.832 10.868 4.727 216 HD2 ARG 29 2HD ARG 29 2.854 9.889 2.754 217 HD3 ARG 29 3HD ARG 29 1.441 9.370 3.652 218 HE ARG 29 HE ARG 29 0.712 11.705 3.838 219 HH11 ARG 29 1HH1 ARG 29 3.334 11.425 1.514 220 HH12 ARG 29 2HH1 ARG 29 2.752 12.798 0.623 221 HH21 ARG 29 1HH2 ARG 29 0.140 13.433 2.709 222 HH22 ARG 29 2HH2 ARG 29 0.806 13.667 1.082 223 HA PRO 30 HA PRO 30 6.787 5.098 6.471 224 HB2 PRO 30 2HB PRO 30 9.032 7.099 6.792 225 HB3 PRO 30 3HB PRO 30 9.136 5.342 6.451 226 HG2 PRO 30 2HG PRO 30 9.397 7.104 4.447 227 HG3 PRO 30 3HG PRO 30 8.365 5.659 4.216 228 HD2 PRO 30 2HD PRO 30 7.496 8.490 4.837 229 HD3 PRO 30 3HD PRO 30 6.803 7.324 3.670 230 HA PRO 31 HA PRO 31 8.123 4.066 8.228 231 HB2 PRO 31 2HB PRO 31 7.468 2.554 10.379 232 HB3 PRO 31 3HB PRO 31 8.636 3.903 10.473 233 HG2 PRO 31 2HG PRO 31 5.678 3.961 11.177 234 HG3 PRO 31 3HG PRO 31 7.063 4.516 12.176 235 HD2 PRO 31 2HD PRO 31 5.623 6.239 10.615 236 HD3 PRO 31 3HD PRO 31 7.382 6.432 10.839 237 H SER 32 H SER 32 4.648 4.425 8.691 238 HA SER 32 HA SER 32 4.054 2.078 6.991 239 HB2 SER 32 2HB SER 32 2.785 0.924 8.752 240 HB3 SER 32 3HB SER 32 4.463 1.134 9.258 241 HG SER 32 HG SER 32 3.261 1.740 10.962 242 H SER 33 H SER 33 3.273 5.192 7.378 243 HA SER 33 HA SER 33 0.556 4.835 8.429 244 HB2 SER 33 2HB SER 33 2.209 7.351 8.172 245 HB3 SER 33 3HB SER 33 0.645 7.074 8.976 246 HG SER 33 HG SER 33 1.797 5.449 10.276 247 H CYS 34 H CYS 34 0.530 4.120 5.996 248 HA CYS 34 HA CYS 34 0.057 5.866 3.875 249 HB2 CYS 34 2HB CYS 34 0.326 3.490 3.463 250 HB3 CYS 34 3HB CYS 34 -1.219 3.122 4.258 251 H ILE 35 H ILE 35 -1.540 6.933 2.958 252 HA ILE 35 HA ILE 35 -4.187 7.104 4.356 253 HB ILE 35 HB ILE 35 -4.326 9.458 3.687 254 HG12 ILE 35 2HG1 ILE 35 -1.325 9.242 3.170 255 HG13 ILE 35 3HG1 ILE 35 -2.556 9.267 1.899 256 HG21 ILE 35 1HG2 ILE 35 -2.004 8.755 5.530 257 HG22 ILE 35 2HG2 ILE 35 -2.997 10.224 5.574 258 HG23 ILE 35 3HG2 ILE 35 -3.725 8.674 5.965 259 HD11 ILE 35 1HD1 ILE 35 -2.060 11.472 3.912 260 HD12 ILE 35 2HD1 ILE 35 -1.612 11.488 2.197 261 HD13 ILE 35 3HD1 ILE 35 -3.329 11.474 2.664 262 H THR 36 H THR 36 -2.806 6.047 1.502 263 HA THR 36 HA THR 36 -5.046 6.742 -0.273 264 HB THR 36 HB THR 36 -3.075 4.442 -0.493 265 HG1 THR 36 HG1 THR 36 -1.757 5.712 -1.401 266 HG21 THR 36 1HG2 THR 36 -3.513 4.611 -2.903 267 HG22 THR 36 2HG2 THR 36 -5.023 4.299 -2.037 268 HG23 THR 36 3HG2 THR 36 -4.666 5.939 -2.630 269 H VAL 37 H VAL 37 -4.120 4.107 1.895 270 HA VAL 37 HA VAL 37 -6.848 2.912 1.840 271 HB VAL 37 HB VAL 37 -4.403 1.146 1.960 272 HG11 VAL 37 1HG1 VAL 37 -7.199 0.780 0.786 273 HG12 VAL 37 2HG1 VAL 37 -5.934 -0.468 0.904 274 HG13 VAL 37 3HG1 VAL 37 -6.672 0.172 2.359 275 HG21 VAL 37 1HG2 VAL 37 -3.910 2.306 -0.112 276 HG22 VAL 37 2HG2 VAL 37 -4.536 0.715 -0.479 277 HG23 VAL 37 3HG2 VAL 37 -5.599 2.127 -0.661 278 H GLU 38 H GLU 38 -7.019 1.271 3.795 279 HA GLU 38 HA GLU 38 -6.468 2.449 6.231 280 HB2 GLU 38 2HB GLU 38 -6.829 -0.481 5.570 281 HB3 GLU 38 3HB GLU 38 -6.634 0.083 7.202 282 HG2 GLU 38 2HG GLU 38 -8.524 1.753 6.674 283 HG3 GLU 38 3HG GLU 38 -8.846 0.733 5.297 284 H SER 39 H SER 39 -5.157 2.261 7.840 285 HA SER 39 HA SER 39 -2.405 1.210 7.447 286 HB2 SER 39 2HB SER 39 -1.447 3.307 8.166 287 HB3 SER 39 3HB SER 39 -2.482 3.548 6.763 288 HG SER 39 HG SER 39 -2.833 5.150 8.363 289 HA PRO 40 HA PRO 40 -0.235 1.803 9.089 290 HB2 PRO 40 2HB PRO 40 1.081 -0.204 10.387 291 HB3 PRO 40 3HB PRO 40 0.708 1.376 11.141 292 HG2 PRO 40 2HG PRO 40 -0.913 -1.177 11.335 293 HG3 PRO 40 3HG PRO 40 -0.300 -0.168 12.681 294 HD2 PRO 40 2HD PRO 40 -2.802 0.188 11.808 295 HD3 PRO 40 3HD PRO 40 -1.796 1.625 12.120 296 H ILE 41 H ILE 41 1.002 0.631 7.583 297 HA ILE 41 HA ILE 41 0.119 -2.066 6.758 298 HB ILE 41 HB ILE 41 -1.064 -0.441 5.322 299 HG12 ILE 41 2HG1 ILE 41 -0.475 -1.260 3.117 300 HG13 ILE 41 3HG1 ILE 41 1.064 -1.863 3.685 301 HG21 ILE 41 1HG2 ILE 41 1.684 0.475 4.378 302 HG22 ILE 41 2HG2 ILE 41 0.129 0.960 3.698 303 HG23 ILE 41 3HG2 ILE 41 0.542 1.434 5.351 304 HD11 ILE 41 1HD1 ILE 41 -0.632 -3.653 3.398 305 HD12 ILE 41 2HD1 ILE 41 -0.101 -3.560 5.083 306 HD13 ILE 41 3HD1 ILE 41 -1.668 -2.872 4.606 307 H SER 42 H SER 42 1.712 -3.285 5.638 308 HA SER 42 HA SER 42 4.434 -2.885 6.484 309 HB2 SER 42 2HB SER 42 3.555 -5.123 6.028 310 HB3 SER 42 3HB SER 42 3.278 -4.685 4.326 311 HG SER 42 HG SER 42 5.219 -5.502 4.145 312 H GLU 43 H GLU 43 6.177 -2.053 5.405 313 HA GLU 43 HA GLU 43 5.819 -0.129 3.353 314 HB2 GLU 43 2HB GLU 43 8.152 0.162 3.403 315 HB3 GLU 43 3HB GLU 43 7.682 -0.251 5.041 316 HG2 GLU 43 2HG GLU 43 9.282 -1.802 5.009 317 HG3 GLU 43 3HG GLU 43 8.272 -2.768 3.960 318 H ASN 44 H ASN 44 5.724 -3.428 2.919 319 HA ASN 44 HA ASN 44 6.234 -3.141 0.008 320 HB2 ASN 44 2HB ASN 44 7.012 -5.434 -0.062 321 HB3 ASN 44 3HB ASN 44 7.938 -4.544 1.135 322 HD21 ASN 44 1HD2 ASN 44 8.579 -6.623 1.751 323 HD22 ASN 44 2HD2 ASN 44 7.626 -7.337 3.048 324 H GLY 45 H GLY 45 3.648 -2.894 1.790 325 HA2 GLY 45 2HA GLY 45 1.955 -5.086 1.382 326 HA3 GLY 45 3HA GLY 45 1.446 -3.416 1.630 327 H TRP 46 H TRP 46 2.050 -2.116 -0.554 328 HA TRP 46 HA TRP 46 1.483 -1.482 -2.591 329 HB2 TRP 46 2HB TRP 46 2.507 -3.690 -3.479 330 HB3 TRP 46 3HB TRP 46 0.891 -4.302 -3.483 331 HD1 TRP 46 HD1 TRP 46 2.316 -0.912 -4.802 332 HE1 TRP 46 HE1 TRP 46 1.287 -0.439 -7.086 333 HE3 TRP 46 HE3 TRP 46 -0.575 -5.109 -5.286 334 HZ2 TRP 46 HZ2 TRP 46 -0.456 -1.755 -8.958 335 HZ3 TRP 46 HZ3 TRP 46 -1.946 -5.450 -7.326 336 HH2 TRP 46 HH2 TRP 46 -1.910 -3.758 -9.156 337 H CYS 47 H CYS 47 -0.310 -0.732 -3.700 338 HA CYS 47 HA CYS 47 -2.889 -2.123 -3.325 339 HB2 CYS 47 2HB CYS 47 -4.037 -0.084 -2.768 340 HB3 CYS 47 3HB CYS 47 -2.685 -0.254 -1.647 341 H ARG 48 H ARG 48 -4.380 -1.800 -5.017 342 HA ARG 48 HA ARG 48 -3.261 -1.077 -7.634 343 HB2 ARG 48 2HB ARG 48 -5.989 -2.022 -6.670 344 HB3 ARG 48 3HB ARG 48 -5.712 -1.469 -8.329 345 HG2 ARG 48 2HG ARG 48 -3.922 -3.043 -8.641 346 HG3 ARG 48 3HG ARG 48 -4.100 -3.678 -6.993 347 HD2 ARG 48 2HD ARG 48 -6.207 -4.692 -7.536 348 HD3 ARG 48 3HD ARG 48 -6.359 -3.745 -9.019 349 HE ARG 48 HE ARG 48 -4.792 -5.087 -10.123 350 HH11 ARG 48 1HH1 ARG 48 -4.890 -6.218 -6.739 351 HH12 ARG 48 2HH1 ARG 48 -4.256 -7.769 -7.224 352 HH21 ARG 48 1HH2 ARG 48 -3.758 -7.021 -10.507 353 HH22 ARG 48 2HH2 ARG 48 -3.305 -8.016 -9.139 354 H LEU 49 H LEU 49 -4.385 0.830 -5.118 355 HA LEU 49 HA LEU 49 -5.504 2.985 -6.815 356 HB2 LEU 49 2HB LEU 49 -5.045 2.795 -3.825 357 HB3 LEU 49 3HB LEU 49 -5.818 4.151 -4.654 358 HG LEU 49 HG LEU 49 -6.872 1.309 -4.447 359 HD11 LEU 49 1HD1 LEU 49 -7.946 3.938 -3.342 360 HD12 LEU 49 2HD1 LEU 49 -8.650 2.324 -3.106 361 HD13 LEU 49 3HD1 LEU 49 -7.076 2.714 -2.396 362 HD21 LEU 49 1HD2 LEU 49 -7.589 2.178 -6.606 363 HD22 LEU 49 2HD2 LEU 49 -8.953 2.206 -5.494 364 HD23 LEU 49 3HD2 LEU 49 -8.089 3.716 -5.859 365 H TYR 50 H TYR 50 -2.357 2.006 -5.869 366 HA TYR 50 HA TYR 50 -1.114 4.541 -5.796 367 HB2 TYR 50 2HB TYR 50 0.794 3.421 -5.681 368 HB3 TYR 50 3HB TYR 50 -0.242 2.053 -5.362 369 HD1 TYR 50 HD1 TYR 50 -1.177 1.143 -7.990 370 HD2 TYR 50 HD2 TYR 50 2.661 2.748 -6.852 371 HE1 TYR 50 HE1 TYR 50 -0.167 0.254 -10.089 372 HE2 TYR 50 HE2 TYR 50 3.675 1.752 -8.864 373 HH TYR 50 HH TYR 50 3.208 1.016 -10.954 374 H ALA 51 H ALA 51 0.214 5.632 -7.498 375 HA ALA 51 HA ALA 51 -0.721 5.289 -10.272 376 HB1 ALA 51 1HB ALA 51 -1.259 7.830 -8.673 377 HB2 ALA 51 2HB ALA 51 -1.612 7.571 -10.388 378 HB3 ALA 51 3HB ALA 51 -2.496 6.647 -9.159 379 H GLY 52 H GLY 52 0.587 6.193 -11.819 380 HA2 GLY 52 2HA GLY 52 2.204 7.566 -12.770 381 HA3 GLY 52 3HA GLY 52 2.550 8.236 -11.170 382 H LYS 53 H LYS 53 2.812 5.030 -10.761 383 HA LYS 53 HA LYS 53 5.797 4.986 -11.157 384 HB2 LYS 53 2HB LYS 53 3.985 4.119 -8.918 385 HB3 LYS 53 3HB LYS 53 5.499 3.261 -9.180 386 HG2 LYS 53 2HG LYS 53 5.622 4.988 -7.439 387 HG3 LYS 53 3HG LYS 53 6.829 5.101 -8.723 388 HD2 LYS 53 2HD LYS 53 5.660 7.023 -9.701 389 HD3 LYS 53 3HD LYS 53 4.351 6.854 -8.516 390 HE2 LYS 53 2HE LYS 53 5.868 8.667 -7.886 391 HE3 LYS 53 3HE LYS 53 5.932 7.362 -6.690 392 HZ1 LYS 53 1HZ LYS 53 7.973 6.605 -7.635 393 HZ2 LYS 53 2HZ LYS 53 7.908 7.672 -8.887 394 HZ3 LYS 53 3HZ LYS 53 8.174 8.196 -7.346 395 H ALA 54 H ALA 54 5.028 4.312 -13.318 396 HA ALA 54 HA ALA 54 4.742 1.342 -13.554 397 HB1 ALA 54 1HB ALA 54 2.540 2.424 -13.818 398 HB2 ALA 54 2HB ALA 54 3.198 3.448 -15.118 399 HB3 ALA 54 3HB ALA 54 3.088 1.689 -15.337 Start of MODEL 5 1 H1 VAL 1 1H VAL 1 -16.276 6.901 11.920 2 H2 VAL 1 2H VAL 1 -16.539 7.924 13.161 3 H3 VAL 1 3H VAL 1 -15.348 8.252 12.068 4 HA VAL 1 HA VAL 1 -18.240 8.209 11.597 5 HB VAL 1 HB VAL 1 -18.123 10.586 11.101 6 HG11 VAL 1 1HG1 VAL 1 -18.736 9.677 13.363 7 HG12 VAL 1 2HG1 VAL 1 -17.068 9.961 13.895 8 HG13 VAL 1 3HG1 VAL 1 -18.091 11.321 13.396 9 HG21 VAL 1 1HG2 VAL 1 -15.740 11.001 10.583 10 HG22 VAL 1 2HG2 VAL 1 -16.267 11.978 11.936 11 HG23 VAL 1 3HG2 VAL 1 -15.285 10.541 12.246 12 H THR 2 H THR 2 -15.229 9.209 9.784 13 HA THR 2 HA THR 2 -16.389 7.843 7.400 14 HB THR 2 HB THR 2 -15.180 10.622 7.238 15 HG1 THR 2 HG1 THR 2 -17.026 11.290 7.655 16 HG21 THR 2 1HG2 THR 2 -16.601 8.903 5.153 17 HG22 THR 2 2HG2 THR 2 -16.007 10.565 4.921 18 HG23 THR 2 3HG2 THR 2 -14.858 9.258 5.191 19 H LYS 3 H LYS 3 -14.950 6.509 6.572 20 HA LYS 3 HA LYS 3 -12.039 6.888 7.177 21 HB2 LYS 3 2HB LYS 3 -13.694 4.993 8.296 22 HB3 LYS 3 3HB LYS 3 -13.181 4.140 6.852 23 HG2 LYS 3 2HG LYS 3 -11.709 3.528 8.570 24 HG3 LYS 3 3HG LYS 3 -10.768 4.624 7.556 25 HD2 LYS 3 2HD LYS 3 -11.326 6.474 9.231 26 HD3 LYS 3 3HD LYS 3 -12.131 5.257 10.223 27 HE2 LYS 3 2HE LYS 3 -9.179 5.310 9.455 28 HE3 LYS 3 3HE LYS 3 -9.854 5.765 11.024 29 HZ1 LYS 3 1HZ LYS 3 -9.826 3.059 9.807 30 HZ2 LYS 3 2HZ LYS 3 -9.056 3.520 11.164 31 HZ3 LYS 3 3HZ LYS 3 -10.695 3.403 11.165 32 H LYS 4 H LYS 4 -10.536 5.809 5.746 33 HA LYS 4 HA LYS 4 -11.357 5.879 2.914 34 HB2 LYS 4 2HB LYS 4 -8.639 5.444 4.191 35 HB3 LYS 4 3HB LYS 4 -8.951 5.525 2.457 36 HG2 LYS 4 2HG LYS 4 -10.248 7.806 3.216 37 HG3 LYS 4 3HG LYS 4 -9.094 7.700 4.530 38 HD2 LYS 4 2HD LYS 4 -8.186 9.147 2.876 39 HD3 LYS 4 3HD LYS 4 -7.241 7.646 2.832 40 HE2 LYS 4 2HE LYS 4 -8.487 6.886 0.862 41 HE3 LYS 4 3HE LYS 4 -9.585 8.264 0.959 42 HZ1 LYS 4 1HZ LYS 4 -6.673 8.577 0.535 43 HZ2 LYS 4 2HZ LYS 4 -7.743 8.456 -0.707 44 HZ3 LYS 4 3HZ LYS 4 -7.814 9.731 0.298 45 H ALA 5 H ALA 5 -10.316 4.203 1.475 46 HA ALA 5 HA ALA 5 -11.976 1.970 1.602 47 HB1 ALA 5 1HB ALA 5 -9.381 2.328 0.045 48 HB2 ALA 5 2HB ALA 5 -10.643 1.131 -0.307 49 HB3 ALA 5 3HB ALA 5 -11.003 2.859 -0.468 50 H SER 6 H SER 6 -11.829 -0.125 2.192 51 HA SER 6 HA SER 6 -9.927 -0.965 4.197 52 HB2 SER 6 2HB SER 6 -11.228 -2.974 4.255 53 HB3 SER 6 3HB SER 6 -12.359 -1.638 4.015 54 HG SER 6 HG SER 6 -12.923 -3.105 2.508 55 H HIS 7 H HIS 7 -8.816 -3.175 3.999 56 HA HIS 7 HA HIS 7 -6.943 -3.154 1.790 57 HB2 HIS 7 2HB HIS 7 -7.525 -5.131 4.023 58 HB3 HIS 7 3HB HIS 7 -6.295 -5.408 2.796 59 HD2 HIS 7 HD2 HIS 7 -6.766 -1.871 4.359 60 HE1 HIS 7 HE1 HIS 7 -2.979 -3.328 5.604 61 HE2 HIS 7 HE2 HIS 7 -4.509 -1.279 5.505 62 H LYS 8 H LYS 8 -10.028 -4.781 2.267 63 HA LYS 8 HA LYS 8 -10.008 -6.468 -0.084 64 HB2 LYS 8 2HB LYS 8 -11.596 -6.616 1.873 65 HB3 LYS 8 3HB LYS 8 -12.368 -5.156 1.280 66 HG2 LYS 8 2HG LYS 8 -13.702 -6.796 0.414 67 HG3 LYS 8 3HG LYS 8 -12.682 -6.457 -0.974 68 HD2 LYS 8 2HD LYS 8 -11.307 -8.453 -0.453 69 HD3 LYS 8 3HD LYS 8 -12.261 -8.718 1.028 70 HE2 LYS 8 2HE LYS 8 -14.286 -9.091 -0.282 71 HE3 LYS 8 3HE LYS 8 -13.401 -8.812 -1.786 72 HZ1 LYS 8 1HZ LYS 8 -12.775 -10.979 0.146 73 HZ2 LYS 8 2HZ LYS 8 -13.632 -11.180 -1.247 74 HZ3 LYS 8 3HZ LYS 8 -12.054 -10.763 -1.315 75 H ASP 9 H ASP 9 -11.481 -3.234 0.434 76 HA ASP 9 HA ASP 9 -12.308 -2.934 -2.270 77 HB2 ASP 9 2HB ASP 9 -12.088 -1.157 0.183 78 HB3 ASP 9 3HB ASP 9 -12.545 -0.492 -1.357 79 H ALA 10 H ALA 10 -9.287 -1.962 -0.675 80 HA ALA 10 HA ALA 10 -8.370 -0.432 -2.998 81 HB1 ALA 10 1HB ALA 10 -7.843 0.206 -0.668 82 HB2 ALA 10 2HB ALA 10 -6.921 -1.303 -0.473 83 HB3 ALA 10 3HB ALA 10 -6.383 -0.067 -1.632 84 H GLY 11 H GLY 11 -8.633 -3.742 -2.601 85 HA2 GLY 11 2HA GLY 11 -7.698 -5.541 -3.676 86 HA3 GLY 11 3HA GLY 11 -6.899 -4.416 -4.773 87 H TYR 12 H TYR 12 -6.223 -4.196 -1.345 88 HA TYR 12 HA TYR 12 -3.431 -4.184 -1.791 89 HB2 TYR 12 2HB TYR 12 -4.739 -2.942 -0.034 90 HB3 TYR 12 3HB TYR 12 -4.893 -4.449 0.854 91 HD1 TYR 12 HD1 TYR 12 -2.890 -5.475 1.938 92 HD2 TYR 12 HD2 TYR 12 -2.658 -1.690 -0.087 93 HE1 TYR 12 HE1 TYR 12 -0.745 -4.996 3.088 94 HE2 TYR 12 HE2 TYR 12 -0.491 -1.228 1.022 95 HH TYR 12 HH TYR 12 1.113 -2.013 2.385 96 H GLN 13 H GLN 13 -1.809 -5.686 -1.515 97 HA GLN 13 HA GLN 13 -2.844 -8.471 -1.304 98 HB2 GLN 13 2HB GLN 13 -1.798 -8.983 -3.375 99 HB3 GLN 13 3HB GLN 13 -2.855 -7.596 -3.551 100 HG2 GLN 13 2HG GLN 13 -0.803 -6.096 -3.485 101 HG3 GLN 13 3HG GLN 13 0.203 -7.555 -3.503 102 HE21 GLN 13 1HE2 GLN 13 1.271 -6.988 -5.442 103 HE22 GLN 13 2HE2 GLN 13 0.349 -7.200 -6.899 104 H GLU 14 H GLU 14 -1.629 -10.232 -1.025 105 HA GLU 14 HA GLU 14 0.974 -9.965 0.361 106 HB2 GLU 14 2HB GLU 14 0.653 -12.249 1.020 107 HB3 GLU 14 3HB GLU 14 -0.817 -11.333 1.322 108 HG2 GLU 14 2HG GLU 14 -1.543 -12.262 -1.055 109 HG3 GLU 14 3HG GLU 14 -0.299 -13.471 -0.754 110 H SER 15 H SER 15 -0.076 -10.452 -2.842 111 HA SER 15 HA SER 15 2.227 -11.942 -3.807 112 HB2 SER 15 2HB SER 15 1.172 -10.866 -6.045 113 HB3 SER 15 3HB SER 15 0.568 -12.329 -5.268 114 HG SER 15 HG SER 15 -0.970 -10.489 -5.834 115 HA PRO 16 HA PRO 16 4.734 -8.285 -4.709 116 HB2 PRO 16 2HB PRO 16 6.376 -9.126 -6.642 117 HB3 PRO 16 3HB PRO 16 6.380 -9.917 -5.039 118 HG2 PRO 16 2HG PRO 16 4.998 -10.865 -7.566 119 HG3 PRO 16 3HG PRO 16 6.007 -11.812 -6.429 120 HD2 PRO 16 2HD PRO 16 3.222 -11.668 -6.365 121 HD3 PRO 16 3HD PRO 16 4.218 -12.069 -4.946 122 H ASN 17 H ASN 17 5.012 -6.576 -6.359 123 HA ASN 17 HA ASN 17 3.575 -6.984 -8.887 124 HB2 ASN 17 2HB ASN 17 2.027 -5.748 -7.329 125 HB3 ASN 17 3HB ASN 17 3.168 -4.410 -7.344 126 HD21 ASN 17 1HD2 ASN 17 1.480 -3.092 -8.371 127 HD22 ASN 17 2HD2 ASN 17 1.063 -3.346 -10.051 128 H GLY 18 H GLY 18 6.147 -7.330 -8.956 129 HA2 GLY 18 2HA GLY 18 8.167 -6.665 -9.841 130 HA3 GLY 18 3HA GLY 18 7.170 -5.655 -10.880 131 H ALA 19 H ALA 19 7.547 -3.540 -10.832 132 HA ALA 19 HA ALA 19 9.551 -2.379 -9.078 133 HB1 ALA 19 1HB ALA 19 9.412 -1.909 -11.501 134 HB2 ALA 19 2HB ALA 19 7.812 -1.174 -11.279 135 HB3 ALA 19 3HB ALA 19 9.248 -0.424 -10.560 136 H LYS 20 H LYS 20 6.222 -2.749 -8.485 137 HA LYS 20 HA LYS 20 5.976 -0.061 -7.188 138 HB2 LYS 20 2HB LYS 20 3.680 -1.773 -8.181 139 HB3 LYS 20 3HB LYS 20 3.681 -0.089 -7.677 140 HG2 LYS 20 2HG LYS 20 3.561 0.220 -9.910 141 HG3 LYS 20 3HG LYS 20 5.318 0.249 -9.741 142 HD2 LYS 20 2HD LYS 20 5.422 -2.110 -10.516 143 HD3 LYS 20 3HD LYS 20 3.653 -2.194 -10.523 144 HE2 LYS 20 2HE LYS 20 3.546 -0.497 -12.295 145 HE3 LYS 20 3HE LYS 20 5.302 -0.294 -12.243 146 HZ1 LYS 20 1HZ LYS 20 5.563 -2.562 -13.012 147 HZ2 LYS 20 2HZ LYS 20 3.971 -2.858 -12.948 148 HZ3 LYS 20 3HZ LYS 20 4.542 -1.784 -14.056 149 H ARG 21 H ARG 21 5.698 0.063 -5.052 150 HA ARG 21 HA ARG 21 3.997 -1.683 -3.581 151 HB2 ARG 21 2HB ARG 21 5.320 -3.011 -2.285 152 HB3 ARG 21 3HB ARG 21 6.349 -2.975 -3.708 153 HG2 ARG 21 2HG ARG 21 7.671 -1.110 -2.623 154 HG3 ARG 21 3HG ARG 21 6.657 -1.308 -1.185 155 HD2 ARG 21 2HD ARG 21 7.382 -3.681 -1.019 156 HD3 ARG 21 3HD ARG 21 8.515 -3.410 -2.338 157 HE ARG 21 HE ARG 21 8.552 -2.181 0.392 158 HH11 ARG 21 1HH1 ARG 21 10.208 -2.320 -2.713 159 HH12 ARG 21 2HH1 ARG 21 11.796 -2.172 -1.990 160 HH21 ARG 21 1HH2 ARG 21 10.732 -1.851 1.237 161 HH22 ARG 21 2HH2 ARG 21 11.985 -1.535 0.073 162 H CYS 22 H CYS 22 3.630 -0.949 -1.351 163 HA CYS 22 HA CYS 22 3.478 1.626 -0.715 164 HB2 CYS 22 2HB CYS 22 4.160 -0.702 1.138 165 HB3 CYS 22 3HB CYS 22 3.320 0.808 1.598 166 H GLY 23 H GLY 23 6.415 -0.175 0.507 167 HA2 GLY 23 2HA GLY 23 7.827 2.061 1.469 168 HA3 GLY 23 3HA GLY 23 8.552 0.556 0.916 169 H THR 24 H THR 24 7.190 1.395 -1.814 170 HA THR 24 HA THR 24 9.346 3.169 -2.859 171 HB THR 24 HB THR 24 7.778 0.973 -4.274 172 HG1 THR 24 HG1 THR 24 9.465 -0.296 -3.928 173 HG21 THR 24 1HG2 THR 24 9.721 1.054 -5.892 174 HG22 THR 24 2HG2 THR 24 8.643 2.443 -5.969 175 HG23 THR 24 3HG2 THR 24 10.211 2.586 -5.134 176 H CYS 25 H CYS 25 6.215 3.370 -1.876 177 HA CYS 25 HA CYS 25 5.010 4.560 -4.258 178 HB2 CYS 25 2HB CYS 25 3.858 2.897 -2.838 179 HB3 CYS 25 3HB CYS 25 3.916 4.005 -1.468 180 H ARG 26 H ARG 26 3.612 6.455 -4.005 181 HA ARG 26 HA ARG 26 5.010 8.803 -2.771 182 HB2 ARG 26 2HB ARG 26 4.320 8.898 -5.157 183 HB3 ARG 26 3HB ARG 26 2.633 8.652 -4.689 184 HG2 ARG 26 2HG ARG 26 2.600 10.799 -3.515 185 HG3 ARG 26 3HG ARG 26 4.343 11.005 -3.770 186 HD2 ARG 26 2HD ARG 26 3.946 11.090 -6.220 187 HD3 ARG 26 3HD ARG 26 2.210 10.910 -5.946 188 HE ARG 26 HE ARG 26 2.289 13.053 -4.639 189 HH11 ARG 26 1HH1 ARG 26 4.618 12.704 -7.247 190 HH12 ARG 26 2HH1 ARG 26 5.520 14.101 -6.720 191 HH21 ARG 26 1HH2 ARG 26 3.081 15.047 -4.430 192 HH22 ARG 26 2HH2 ARG 26 4.343 15.640 -5.494 193 H GLN 27 H GLN 27 2.430 6.643 -2.108 194 HA GLN 27 HA GLN 27 0.826 8.608 -0.613 195 HB2 GLN 27 2HB GLN 27 0.434 5.669 -1.228 196 HB3 GLN 27 3HB GLN 27 -0.803 6.738 -0.595 197 HG2 GLN 27 2HG GLN 27 0.523 7.066 -3.347 198 HG3 GLN 27 3HG GLN 27 -1.000 6.271 -3.062 199 HE21 GLN 27 1HE2 GLN 27 -2.827 7.543 -2.226 200 HE22 GLN 27 2HE2 GLN 27 -2.884 9.259 -2.668 201 H PHE 28 H PHE 28 3.305 6.458 0.200 202 HA PHE 28 HA PHE 28 2.209 5.016 2.340 203 HB2 PHE 28 2HB PHE 28 3.950 4.216 0.944 204 HB3 PHE 28 3HB PHE 28 5.007 5.561 1.332 205 HD1 PHE 28 HD1 PHE 28 3.153 3.251 3.697 206 HD2 PHE 28 HD2 PHE 28 6.937 4.554 2.114 207 HE1 PHE 28 HE1 PHE 28 4.351 1.881 5.402 208 HE2 PHE 28 HE2 PHE 28 8.122 3.190 3.819 209 HZ PHE 28 HZ PHE 28 6.826 1.861 5.470 210 H ARG 29 H ARG 29 4.132 8.017 2.525 211 HA ARG 29 HA ARG 29 5.010 9.179 4.303 212 HB2 ARG 29 2HB ARG 29 2.840 10.042 4.143 213 HB3 ARG 29 3HB ARG 29 2.153 8.730 5.080 214 HG2 ARG 29 2HG ARG 29 2.264 10.898 6.277 215 HG3 ARG 29 3HG ARG 29 3.018 9.559 7.119 216 HD2 ARG 29 2HD ARG 29 5.254 10.358 6.304 217 HD3 ARG 29 3HD ARG 29 4.447 11.791 5.624 218 HE ARG 29 HE ARG 29 3.567 11.663 8.254 219 HH11 ARG 29 1HH1 ARG 29 6.868 11.730 6.952 220 HH12 ARG 29 2HH1 ARG 29 7.485 12.204 8.543 221 HH21 ARG 29 1HH2 ARG 29 4.519 12.365 10.142 222 HH22 ARG 29 2HH2 ARG 29 6.249 12.632 10.144 223 HA PRO 30 HA PRO 30 6.352 5.340 6.376 224 HB2 PRO 30 2HB PRO 30 8.905 6.926 6.537 225 HB3 PRO 30 3HB PRO 30 8.676 5.210 6.105 226 HG2 PRO 30 2HG PRO 30 9.131 7.135 4.216 227 HG3 PRO 30 3HG PRO 30 8.032 5.767 3.910 228 HD2 PRO 30 2HD PRO 30 7.353 8.609 4.582 229 HD3 PRO 30 3HD PRO 30 6.513 7.457 3.509 230 HA PRO 31 HA PRO 31 7.565 4.169 7.951 231 HB2 PRO 31 2HB PRO 31 7.225 2.842 10.263 232 HB3 PRO 31 3HB PRO 31 8.510 4.074 10.068 233 HG2 PRO 31 2HG PRO 31 5.771 4.419 11.338 234 HG3 PRO 31 3HG PRO 31 7.367 4.906 11.997 235 HD2 PRO 31 2HD PRO 31 5.692 6.612 10.609 236 HD3 PRO 31 3HD PRO 31 7.473 6.780 10.600 237 H SER 32 H SER 32 4.314 5.098 8.940 238 HA SER 32 HA SER 32 3.266 2.431 8.095 239 HB2 SER 32 2HB SER 32 2.069 2.217 10.200 240 HB3 SER 32 3HB SER 32 3.802 2.406 10.495 241 HG SER 32 HG SER 32 1.749 3.934 11.336 242 H SER 33 H SER 33 2.720 5.579 7.298 243 HA SER 33 HA SER 33 -0.233 5.445 7.779 244 HB2 SER 33 2HB SER 33 1.541 7.878 7.590 245 HB3 SER 33 3HB SER 33 -0.212 7.795 7.891 246 HG SER 33 HG SER 33 0.143 6.853 9.827 247 H CYS 34 H CYS 34 -0.325 4.292 5.706 248 HA CYS 34 HA CYS 34 0.017 5.729 3.217 249 HB2 CYS 34 2HB CYS 34 -0.187 3.301 3.104 250 HB3 CYS 34 3HB CYS 34 -1.850 3.389 3.760 251 H ILE 35 H ILE 35 -1.182 7.175 2.207 252 HA ILE 35 HA ILE 35 -3.612 8.216 3.520 253 HB ILE 35 HB ILE 35 -1.691 9.651 2.779 254 HG12 ILE 35 2HG1 ILE 35 -4.380 10.520 1.658 255 HG13 ILE 35 3HG1 ILE 35 -3.995 10.457 3.381 256 HG21 ILE 35 1HG2 ILE 35 -2.890 9.389 -0.002 257 HG22 ILE 35 2HG2 ILE 35 -1.491 10.366 0.481 258 HG23 ILE 35 3HG2 ILE 35 -1.383 8.609 0.524 259 HD11 ILE 35 1HD1 ILE 35 -3.720 12.723 2.565 260 HD12 ILE 35 2HD1 ILE 35 -2.132 12.072 3.013 261 HD13 ILE 35 3HD1 ILE 35 -2.603 12.196 1.300 262 H THR 36 H THR 36 -3.090 5.811 1.266 263 HA THR 36 HA THR 36 -5.507 6.378 -0.370 264 HB THR 36 HB THR 36 -3.565 4.049 -0.467 265 HG1 THR 36 HG1 THR 36 -2.452 5.155 -1.796 266 HG21 THR 36 1HG2 THR 36 -5.601 5.084 -2.484 267 HG22 THR 36 2HG2 THR 36 -4.355 3.850 -2.807 268 HG23 THR 36 3HG2 THR 36 -5.645 3.514 -1.641 269 H VAL 37 H VAL 37 -4.357 4.027 2.027 270 HA VAL 37 HA VAL 37 -6.999 2.633 2.052 271 HB VAL 37 HB VAL 37 -5.221 1.518 0.723 272 HG11 VAL 37 1HG1 VAL 37 -3.363 0.363 1.849 273 HG12 VAL 37 2HG1 VAL 37 -3.217 2.111 1.999 274 HG13 VAL 37 3HG1 VAL 37 -3.778 1.149 3.383 275 HG21 VAL 37 1HG2 VAL 37 -7.023 0.175 1.749 276 HG22 VAL 37 2HG2 VAL 37 -5.503 -0.715 1.562 277 HG23 VAL 37 3HG2 VAL 37 -5.969 -0.116 3.157 278 H GLU 38 H GLU 38 -7.515 1.444 3.979 279 HA GLU 38 HA GLU 38 -7.012 2.607 6.490 280 HB2 GLU 38 2HB GLU 38 -7.924 -0.121 5.585 281 HB3 GLU 38 3HB GLU 38 -7.587 0.116 7.288 282 HG2 GLU 38 2HG GLU 38 -9.442 1.998 5.803 283 HG3 GLU 38 3HG GLU 38 -9.996 0.473 6.499 284 H SER 39 H SER 39 -5.944 1.899 8.319 285 HA SER 39 HA SER 39 -3.176 0.889 7.781 286 HB2 SER 39 2HB SER 39 -2.261 2.868 8.687 287 HB3 SER 39 3HB SER 39 -3.581 3.418 7.688 288 HG SER 39 HG SER 39 -4.855 3.702 9.481 289 HA PRO 40 HA PRO 40 -1.228 1.746 9.939 290 HB2 PRO 40 2HB PRO 40 0.461 0.007 11.119 291 HB3 PRO 40 3HB PRO 40 -0.518 1.187 12.040 292 HG2 PRO 40 2HG PRO 40 -1.171 -1.724 11.475 293 HG3 PRO 40 3HG PRO 40 -1.144 -0.893 13.070 294 HD2 PRO 40 2HD PRO 40 -3.456 -1.200 11.710 295 HD3 PRO 40 3HD PRO 40 -3.114 0.337 12.553 296 H ILE 41 H ILE 41 0.613 1.188 8.559 297 HA ILE 41 HA ILE 41 0.139 -1.198 6.840 298 HB ILE 41 HB ILE 41 -0.462 1.341 6.113 299 HG12 ILE 41 2HG1 ILE 41 -0.262 0.636 3.736 300 HG13 ILE 41 3HG1 ILE 41 0.600 -0.808 4.266 301 HG21 ILE 41 1HG2 ILE 41 1.970 2.038 6.243 302 HG22 ILE 41 2HG2 ILE 41 2.275 0.963 4.862 303 HG23 ILE 41 3HG2 ILE 41 1.170 2.337 4.699 304 HD11 ILE 41 1HD1 ILE 41 -1.866 -1.139 3.795 305 HD12 ILE 41 2HD1 ILE 41 -1.413 -1.605 5.441 306 HD13 ILE 41 3HD1 ILE 41 -2.224 -0.051 5.143 307 H SER 42 H SER 42 1.794 -2.226 5.816 308 HA SER 42 HA SER 42 4.479 -2.024 7.050 309 HB2 SER 42 2HB SER 42 3.295 -4.194 6.876 310 HB3 SER 42 3HB SER 42 3.331 -4.050 5.111 311 HG SER 42 HG SER 42 5.017 -5.316 6.156 312 H GLU 43 H GLU 43 6.419 -2.060 5.632 313 HA GLU 43 HA GLU 43 6.299 -0.243 3.386 314 HB2 GLU 43 2HB GLU 43 8.627 -0.707 3.101 315 HB3 GLU 43 3HB GLU 43 8.311 -0.504 4.820 316 HG2 GLU 43 2HG GLU 43 8.514 -2.852 5.258 317 HG3 GLU 43 3HG GLU 43 8.418 -3.245 3.557 318 H ASN 44 H ASN 44 5.561 -3.630 3.598 319 HA ASN 44 HA ASN 44 5.854 -4.058 0.686 320 HB2 ASN 44 2HB ASN 44 6.189 -5.691 3.230 321 HB3 ASN 44 3HB ASN 44 5.584 -6.455 1.802 322 HD21 ASN 44 1HD2 ASN 44 6.862 -6.391 -0.127 323 HD22 ASN 44 2HD2 ASN 44 8.548 -6.681 0.232 324 H GLY 45 H GLY 45 4.054 -4.811 -0.428 325 HA2 GLY 45 2HA GLY 45 1.661 -5.804 0.305 326 HA3 GLY 45 3HA GLY 45 1.434 -4.119 0.744 327 H TRP 46 H TRP 46 1.648 -2.488 -0.913 328 HA TRP 46 HA TRP 46 1.127 -1.517 -2.866 329 HB2 TRP 46 2HB TRP 46 2.549 -3.251 -4.107 330 HB3 TRP 46 3HB TRP 46 1.072 -4.149 -4.338 331 HD1 TRP 46 HD1 TRP 46 2.401 -0.601 -5.156 332 HE1 TRP 46 HE1 TRP 46 1.274 0.219 -7.305 333 HE3 TRP 46 HE3 TRP 46 -0.802 -4.519 -5.958 334 HZ2 TRP 46 HZ2 TRP 46 -0.684 -0.726 -9.178 335 HZ3 TRP 46 HZ3 TRP 46 -2.322 -4.505 -7.913 336 HH2 TRP 46 HH2 TRP 46 -2.276 -2.615 -9.533 337 H CYS 47 H CYS 47 -0.707 -0.872 -3.866 338 HA CYS 47 HA CYS 47 -3.238 -2.413 -3.558 339 HB2 CYS 47 2HB CYS 47 -4.353 -0.444 -2.750 340 HB3 CYS 47 3HB CYS 47 -2.854 -0.519 -1.803 341 H ARG 48 H ARG 48 -4.961 -1.541 -5.079 342 HA ARG 48 HA ARG 48 -3.755 -0.915 -7.712 343 HB2 ARG 48 2HB ARG 48 -6.646 -1.488 -6.963 344 HB3 ARG 48 3HB ARG 48 -6.040 -1.152 -8.593 345 HG2 ARG 48 2HG ARG 48 -4.469 -3.114 -8.343 346 HG3 ARG 48 3HG ARG 48 -5.302 -3.518 -6.836 347 HD2 ARG 48 2HD ARG 48 -6.252 -4.887 -8.531 348 HD3 ARG 48 3HD ARG 48 -7.454 -3.656 -8.169 349 HE ARG 48 HE ARG 48 -5.708 -3.867 -10.592 350 HH11 ARG 48 1HH1 ARG 48 -8.701 -2.511 -9.286 351 HH12 ARG 48 2HH1 ARG 48 -8.980 -1.595 -10.746 352 HH21 ARG 48 1HH2 ARG 48 -6.169 -2.625 -12.363 353 HH22 ARG 48 2HH2 ARG 48 -7.557 -1.577 -12.351 354 H LEU 49 H LEU 49 -2.899 1.125 -6.792 355 HA LEU 49 HA LEU 49 -4.720 3.292 -7.741 356 HB2 LEU 49 2HB LEU 49 -3.946 3.375 -5.224 357 HB3 LEU 49 3HB LEU 49 -2.394 3.841 -5.900 358 HG LEU 49 HG LEU 49 -3.742 5.708 -7.163 359 HD11 LEU 49 1HD1 LEU 49 -5.707 5.083 -4.911 360 HD12 LEU 49 2HD1 LEU 49 -5.797 6.434 -6.058 361 HD13 LEU 49 3HD1 LEU 49 -6.016 4.773 -6.625 362 HD21 LEU 49 1HD2 LEU 49 -2.183 6.153 -5.318 363 HD22 LEU 49 2HD2 LEU 49 -3.610 7.205 -5.224 364 HD23 LEU 49 3HD2 LEU 49 -3.465 5.803 -4.145 365 H TYR 50 H TYR 50 -3.817 4.822 -9.199 366 HA TYR 50 HA TYR 50 -1.267 3.984 -10.501 367 HB2 TYR 50 2HB TYR 50 -3.332 3.922 -11.834 368 HB3 TYR 50 3HB TYR 50 -3.529 5.655 -11.605 369 HD1 TYR 50 HD1 TYR 50 -0.814 3.237 -12.705 370 HD2 TYR 50 HD2 TYR 50 -2.856 6.967 -13.426 371 HE1 TYR 50 HE1 TYR 50 0.651 3.665 -14.672 372 HE2 TYR 50 HE2 TYR 50 -1.400 7.383 -15.399 373 HH TYR 50 HH TYR 50 0.307 6.586 -16.723 374 H ALA 51 H ALA 51 -0.256 5.015 -8.528 375 HA ALA 51 HA ALA 51 0.753 7.677 -9.301 376 HB1 ALA 51 1HB ALA 51 0.519 8.547 -7.008 377 HB2 ALA 51 2HB ALA 51 -1.068 8.130 -7.676 378 HB3 ALA 51 3HB ALA 51 -0.283 7.048 -6.501 379 H GLY 52 H GLY 52 2.846 8.201 -8.264 380 HA2 GLY 52 2HA GLY 52 4.376 6.436 -6.661 381 HA3 GLY 52 3HA GLY 52 4.673 6.020 -8.350 382 H LYS 53 H LYS 53 6.968 6.692 -7.563 383 HA LYS 53 HA LYS 53 7.522 9.544 -7.338 384 HB2 LYS 53 2HB LYS 53 9.279 7.071 -7.508 385 HB3 LYS 53 3HB LYS 53 9.933 8.679 -7.748 386 HG2 LYS 53 2HG LYS 53 10.368 8.116 -5.526 387 HG3 LYS 53 3HG LYS 53 9.130 9.378 -5.492 388 HD2 LYS 53 2HD LYS 53 7.394 7.771 -5.020 389 HD3 LYS 53 3HD LYS 53 8.489 6.420 -5.330 390 HE2 LYS 53 2HE LYS 53 8.603 8.323 -2.954 391 HE3 LYS 53 3HE LYS 53 8.090 6.632 -2.953 392 HZ1 LYS 53 1HZ LYS 53 10.451 6.186 -3.842 393 HZ2 LYS 53 2HZ LYS 53 10.804 7.691 -3.293 394 HZ3 LYS 53 3HZ LYS 53 10.285 6.549 -2.237 395 H ALA 54 H ALA 54 8.403 10.671 -8.671 396 HA ALA 54 HA ALA 54 9.054 10.059 -11.484 397 HB1 ALA 54 1HB ALA 54 6.833 12.052 -10.812 398 HB2 ALA 54 2HB ALA 54 7.488 11.723 -12.428 399 HB3 ALA 54 3HB ALA 54 6.593 10.460 -11.562 Start of MODEL 6 1 H1 VAL 1 1H VAL 1 -9.031 10.332 12.786 2 H2 VAL 1 2H VAL 1 -10.287 11.312 13.182 3 H3 VAL 1 3H VAL 1 -8.849 11.966 12.724 4 HA VAL 1 HA VAL 1 -10.493 12.135 10.982 5 HB VAL 1 HB VAL 1 -9.268 11.044 9.126 6 HG11 VAL 1 1HG1 VAL 1 -7.443 12.510 11.070 7 HG12 VAL 1 2HG1 VAL 1 -7.273 12.394 9.312 8 HG13 VAL 1 3HG1 VAL 1 -8.638 13.278 10.003 9 HG21 VAL 1 1HG2 VAL 1 -8.459 8.998 10.258 10 HG22 VAL 1 2HG2 VAL 1 -7.150 9.909 9.519 11 HG23 VAL 1 3HG2 VAL 1 -7.373 9.991 11.263 12 H THR 2 H THR 2 -11.813 11.156 9.437 13 HA THR 2 HA THR 2 -13.285 8.782 10.302 14 HB THR 2 HB THR 2 -13.404 10.462 7.771 15 HG1 THR 2 HG1 THR 2 -14.790 11.664 8.822 16 HG21 THR 2 1HG2 THR 2 -14.523 8.239 7.472 17 HG22 THR 2 2HG2 THR 2 -15.497 8.567 8.925 18 HG23 THR 2 3HG2 THR 2 -15.666 9.582 7.482 19 H LYS 3 H LYS 3 -13.244 6.720 9.359 20 HA LYS 3 HA LYS 3 -10.682 5.757 8.666 21 HB2 LYS 3 2HB LYS 3 -12.469 4.517 9.845 22 HB3 LYS 3 3HB LYS 3 -13.396 4.413 8.346 23 HG2 LYS 3 2HG LYS 3 -11.619 3.045 7.320 24 HG3 LYS 3 3HG LYS 3 -10.649 3.196 8.801 25 HD2 LYS 3 2HD LYS 3 -12.314 1.974 10.078 26 HD3 LYS 3 3HD LYS 3 -13.409 1.912 8.673 27 HE2 LYS 3 2HE LYS 3 -11.854 0.567 7.406 28 HE3 LYS 3 3HE LYS 3 -10.577 0.794 8.616 29 HZ1 LYS 3 1HZ LYS 3 -13.123 -0.623 9.208 30 HZ2 LYS 3 2HZ LYS 3 -11.697 -1.369 8.777 31 HZ3 LYS 3 3HZ LYS 3 -11.782 -0.519 10.157 32 H LYS 4 H LYS 4 -9.784 4.797 6.841 33 HA LYS 4 HA LYS 4 -10.518 6.013 4.258 34 HB2 LYS 4 2HB LYS 4 -8.233 4.129 5.011 35 HB3 LYS 4 3HB LYS 4 -8.392 4.966 3.466 36 HG2 LYS 4 2HG LYS 4 -8.691 6.911 5.484 37 HG3 LYS 4 3HG LYS 4 -7.283 5.943 5.936 38 HD2 LYS 4 2HD LYS 4 -6.469 7.804 4.735 39 HD3 LYS 4 3HD LYS 4 -6.396 6.467 3.566 40 HE2 LYS 4 2HE LYS 4 -8.473 7.205 2.532 41 HE3 LYS 4 3HE LYS 4 -8.787 8.346 3.841 42 HZ1 LYS 4 1HZ LYS 4 -6.949 9.706 3.115 43 HZ2 LYS 4 2HZ LYS 4 -6.531 8.649 1.939 44 HZ3 LYS 4 3HZ LYS 4 -7.955 9.430 1.846 45 H ALA 5 H ALA 5 -9.915 4.440 2.419 46 HA ALA 5 HA ALA 5 -12.097 2.549 2.064 47 HB1 ALA 5 1HB ALA 5 -11.090 3.788 0.183 48 HB2 ALA 5 2HB ALA 5 -9.560 2.905 0.414 49 HB3 ALA 5 3HB ALA 5 -11.026 2.038 -0.086 50 H SER 6 H SER 6 -12.106 0.278 2.001 51 HA SER 6 HA SER 6 -10.346 -0.960 3.894 52 HB2 SER 6 2HB SER 6 -11.726 -2.864 3.734 53 HB3 SER 6 3HB SER 6 -12.800 -1.472 3.552 54 HG SER 6 HG SER 6 -13.365 -2.797 1.905 55 H HIS 7 H HIS 7 -9.154 -2.946 3.606 56 HA HIS 7 HA HIS 7 -7.326 -3.106 1.390 57 HB2 HIS 7 2HB HIS 7 -8.102 -4.886 3.697 58 HB3 HIS 7 3HB HIS 7 -7.168 -5.582 2.378 59 HD2 HIS 7 HD2 HIS 7 -6.620 -3.687 5.536 60 HE1 HIS 7 HE1 HIS 7 -3.035 -3.192 3.290 61 HE2 HIS 7 HE2 HIS 7 -4.095 -2.919 5.591 62 H LYS 8 H LYS 8 -10.591 -4.262 1.651 63 HA LYS 8 HA LYS 8 -10.477 -6.169 -0.592 64 HB2 LYS 8 2HB LYS 8 -12.880 -4.804 0.688 65 HB3 LYS 8 3HB LYS 8 -12.912 -6.185 -0.367 66 HG2 LYS 8 2HG LYS 8 -11.668 -6.139 2.426 67 HG3 LYS 8 3HG LYS 8 -13.309 -6.642 2.048 68 HD2 LYS 8 2HD LYS 8 -12.462 -8.502 0.660 69 HD3 LYS 8 3HD LYS 8 -10.789 -7.996 0.995 70 HE2 LYS 8 2HE LYS 8 -11.122 -8.358 3.404 71 HE3 LYS 8 3HE LYS 8 -12.824 -8.772 3.127 72 HZ1 LYS 8 1HZ LYS 8 -12.124 -10.703 1.880 73 HZ2 LYS 8 2HZ LYS 8 -10.526 -10.308 2.067 74 HZ3 LYS 8 3HZ LYS 8 -11.429 -10.761 3.363 75 H ASP 9 H ASP 9 -11.943 -2.986 -0.048 76 HA ASP 9 HA ASP 9 -12.676 -2.304 -2.675 77 HB2 ASP 9 2HB ASP 9 -13.122 -1.097 -0.435 78 HB3 ASP 9 3HB ASP 9 -11.588 -0.299 -0.697 79 H ALA 10 H ALA 10 -9.591 -1.555 -1.008 80 HA ALA 10 HA ALA 10 -8.326 -0.441 -3.328 81 HB1 ALA 10 1HB ALA 10 -7.122 -1.392 -0.696 82 HB2 ALA 10 2HB ALA 10 -6.410 -0.234 -1.844 83 HB3 ALA 10 3HB ALA 10 -7.879 0.194 -0.959 84 H GLY 11 H GLY 11 -8.952 -3.700 -2.748 85 HA2 GLY 11 2HA GLY 11 -8.255 -5.617 -3.789 86 HA3 GLY 11 3HA GLY 11 -7.642 -4.568 -5.068 87 H TYR 12 H TYR 12 -6.573 -4.940 -1.683 88 HA TYR 12 HA TYR 12 -3.840 -4.660 -2.216 89 HB2 TYR 12 2HB TYR 12 -4.747 -4.225 -0.068 90 HB3 TYR 12 3HB TYR 12 -5.405 -5.845 0.082 91 HD1 TYR 12 HD1 TYR 12 -2.331 -3.802 0.376 92 HD2 TYR 12 HD2 TYR 12 -4.049 -7.744 0.723 93 HE1 TYR 12 HE1 TYR 12 -0.396 -4.529 1.753 94 HE2 TYR 12 HE2 TYR 12 -2.107 -8.480 2.061 95 HH TYR 12 HH TYR 12 -0.254 -7.815 3.196 96 H GLN 13 H GLN 13 -2.102 -5.951 -2.404 97 HA GLN 13 HA GLN 13 -2.357 -8.841 -1.952 98 HB2 GLN 13 2HB GLN 13 -0.708 -9.368 -3.775 99 HB3 GLN 13 3HB GLN 13 -2.318 -8.945 -4.332 100 HG2 GLN 13 2HG GLN 13 -1.598 -6.695 -4.904 101 HG3 GLN 13 3HG GLN 13 0.046 -7.024 -4.318 102 HE21 GLN 13 1HE2 GLN 13 1.325 -6.947 -5.963 103 HE22 GLN 13 2HE2 GLN 13 1.050 -7.809 -7.459 104 H GLU 14 H GLU 14 -0.595 -9.767 -1.018 105 HA GLU 14 HA GLU 14 1.156 -7.978 0.471 106 HB2 GLU 14 2HB GLU 14 1.896 -10.048 1.557 107 HB3 GLU 14 3HB GLU 14 0.137 -9.893 1.493 108 HG2 GLU 14 2HG GLU 14 0.070 -11.464 -0.450 109 HG3 GLU 14 3HG GLU 14 1.830 -11.626 -0.361 110 H SER 15 H SER 15 1.508 -9.331 -2.612 111 HA SER 15 HA SER 15 4.457 -9.170 -2.460 112 HB2 SER 15 2HB SER 15 4.289 -10.352 -4.774 113 HB3 SER 15 3HB SER 15 4.229 -11.213 -3.249 114 HG SER 15 HG SER 15 2.526 -12.004 -4.289 115 HA PRO 16 HA PRO 16 4.703 -5.597 -5.017 116 HB2 PRO 16 2HB PRO 16 6.969 -7.017 -6.378 117 HB3 PRO 16 3HB PRO 16 6.926 -5.358 -5.704 118 HG2 PRO 16 2HG PRO 16 8.168 -7.378 -4.361 119 HG3 PRO 16 3HG PRO 16 7.168 -6.177 -3.482 120 HD2 PRO 16 2HD PRO 16 6.405 -9.004 -4.299 121 HD3 PRO 16 3HD PRO 16 6.121 -8.112 -2.789 122 H ASN 17 H ASN 17 4.000 -4.866 -6.923 123 HA ASN 17 HA ASN 17 3.291 -6.743 -9.152 124 HB2 ASN 17 2HB ASN 17 1.420 -5.445 -8.461 125 HB3 ASN 17 3HB ASN 17 2.360 -3.990 -8.308 126 HD21 ASN 17 1HD2 ASN 17 1.097 -2.738 -9.784 127 HD22 ASN 17 2HD2 ASN 17 1.026 -3.127 -11.487 128 H GLY 18 H GLY 18 5.456 -7.098 -9.818 129 HA2 GLY 18 2HA GLY 18 7.491 -6.669 -10.820 130 HA3 GLY 18 3HA GLY 18 6.845 -5.132 -11.411 131 H ALA 19 H ALA 19 8.021 -3.509 -10.682 132 HA ALA 19 HA ALA 19 9.477 -3.474 -8.162 133 HB1 ALA 19 1HB ALA 19 8.881 -1.262 -10.177 134 HB2 ALA 19 2HB ALA 19 10.081 -1.189 -8.870 135 HB3 ALA 19 3HB ALA 19 10.291 -2.347 -10.196 136 H LYS 20 H LYS 20 6.144 -2.729 -8.884 137 HA LYS 20 HA LYS 20 5.925 -0.432 -7.098 138 HB2 LYS 20 2HB LYS 20 3.778 -1.990 -8.599 139 HB3 LYS 20 3HB LYS 20 3.544 -0.519 -7.675 140 HG2 LYS 20 2HG LYS 20 3.667 0.349 -9.755 141 HG3 LYS 20 3HG LYS 20 5.343 0.538 -9.232 142 HD2 LYS 20 2HD LYS 20 5.986 -1.428 -10.603 143 HD3 LYS 20 3HD LYS 20 4.276 -1.685 -11.037 144 HE2 LYS 20 2HE LYS 20 4.196 0.571 -12.055 145 HE3 LYS 20 3HE LYS 20 5.890 0.842 -11.618 146 HZ1 LYS 20 1HZ LYS 20 5.641 0.167 -13.898 147 HZ2 LYS 20 2HZ LYS 20 6.514 -0.962 -13.096 148 HZ3 LYS 20 3HZ LYS 20 4.939 -1.263 -13.497 149 H ARG 21 H ARG 21 5.723 -0.505 -5.008 150 HA ARG 21 HA ARG 21 3.700 -2.106 -3.659 151 HB2 ARG 21 2HB ARG 21 5.017 -3.491 -2.362 152 HB3 ARG 21 3HB ARG 21 5.970 -3.494 -3.824 153 HG2 ARG 21 2HG ARG 21 7.415 -1.667 -2.801 154 HG3 ARG 21 3HG ARG 21 6.442 -1.854 -1.317 155 HD2 ARG 21 2HD ARG 21 7.050 -4.314 -1.350 156 HD3 ARG 21 3HD ARG 21 8.263 -3.924 -2.573 157 HE ARG 21 HE ARG 21 8.154 -3.028 0.275 158 HH11 ARG 21 1HH1 ARG 21 9.989 -2.769 -2.761 159 HH12 ARG 21 2HH1 ARG 21 11.392 -2.177 -1.879 160 HH21 ARG 21 1HH2 ARG 21 10.186 -2.662 1.228 161 HH22 ARG 21 2HH2 ARG 21 11.499 -2.145 0.166 162 H CYS 22 H CYS 22 3.601 -1.347 -1.214 163 HA CYS 22 HA CYS 22 3.514 1.387 -0.860 164 HB2 CYS 22 2HB CYS 22 4.114 -0.829 1.142 165 HB3 CYS 22 3HB CYS 22 3.658 0.832 1.584 166 H GLY 23 H GLY 23 6.395 -0.587 0.121 167 HA2 GLY 23 2HA GLY 23 8.151 1.493 0.811 168 HA3 GLY 23 3HA GLY 23 8.623 -0.086 0.195 169 H THR 24 H THR 24 6.946 1.050 -2.390 170 HA THR 24 HA THR 24 9.017 2.930 -3.410 171 HB THR 24 HB THR 24 8.817 1.958 -5.651 172 HG1 THR 24 HG1 THR 24 7.931 -0.183 -5.744 173 HG21 THR 24 1HG2 THR 24 10.147 -0.011 -5.323 174 HG22 THR 24 2HG2 THR 24 10.601 1.152 -4.068 175 HG23 THR 24 3HG2 THR 24 9.555 -0.221 -3.658 176 H CYS 25 H CYS 25 6.041 2.966 -2.314 177 HA CYS 25 HA CYS 25 4.672 4.404 -4.509 178 HB2 CYS 25 2HB CYS 25 3.533 2.618 -3.156 179 HB3 CYS 25 3HB CYS 25 3.698 3.630 -1.726 180 H ARG 26 H ARG 26 4.171 6.496 -4.526 181 HA ARG 26 HA ARG 26 5.485 8.472 -2.861 182 HB2 ARG 26 2HB ARG 26 4.830 8.853 -5.199 183 HB3 ARG 26 3HB ARG 26 3.119 8.682 -4.782 184 HG2 ARG 26 2HG ARG 26 3.205 10.698 -3.404 185 HG3 ARG 26 3HG ARG 26 4.956 10.813 -3.617 186 HD2 ARG 26 2HD ARG 26 4.605 11.208 -6.057 187 HD3 ARG 26 3HD ARG 26 2.850 11.135 -5.789 188 HE ARG 26 HE ARG 26 4.056 12.995 -3.962 189 HH11 ARG 26 1HH1 ARG 26 3.328 13.022 -7.443 190 HH12 ARG 26 2HH1 ARG 26 3.065 14.743 -7.382 191 HH21 ARG 26 1HH2 ARG 26 3.867 15.033 -4.046 192 HH22 ARG 26 2HH2 ARG 26 3.476 15.914 -5.512 193 H GLN 27 H GLN 27 2.553 6.635 -2.431 194 HA GLN 27 HA GLN 27 1.275 8.607 -0.700 195 HB2 GLN 27 2HB GLN 27 0.466 5.736 -1.254 196 HB3 GLN 27 3HB GLN 27 -0.566 7.024 -0.665 197 HG2 GLN 27 2HG GLN 27 0.646 6.779 -3.451 198 HG3 GLN 27 3HG GLN 27 -1.023 6.549 -2.999 199 HE21 GLN 27 1HE2 GLN 27 -2.286 8.248 -3.634 200 HE22 GLN 27 2HE2 GLN 27 -1.755 9.932 -3.670 201 H PHE 28 H PHE 28 3.375 5.902 -0.102 202 HA PHE 28 HA PHE 28 2.271 4.803 2.162 203 HB2 PHE 28 2HB PHE 28 4.003 3.775 0.857 204 HB3 PHE 28 3HB PHE 28 5.166 5.012 1.311 205 HD1 PHE 28 HD1 PHE 28 2.770 3.006 3.456 206 HD2 PHE 28 HD2 PHE 28 6.873 3.890 2.444 207 HE1 PHE 28 HE1 PHE 28 3.552 1.648 5.384 208 HE2 PHE 28 HE2 PHE 28 7.634 2.477 4.335 209 HZ PHE 28 HZ PHE 28 5.966 1.369 5.810 210 H ARG 29 H ARG 29 4.487 7.593 2.180 211 HA ARG 29 HA ARG 29 5.119 9.053 3.903 212 HB2 ARG 29 2HB ARG 29 2.162 8.638 4.195 213 HB3 ARG 29 3HB ARG 29 2.992 9.602 5.407 214 HG2 ARG 29 2HG ARG 29 1.935 10.849 3.480 215 HG3 ARG 29 3HG ARG 29 3.588 11.277 3.915 216 HD2 ARG 29 2HD ARG 29 4.491 10.135 1.986 217 HD3 ARG 29 3HD ARG 29 2.937 9.375 1.642 218 HE ARG 29 HE ARG 29 2.383 11.171 0.373 219 HH11 ARG 29 1HH1 ARG 29 4.874 12.483 2.549 220 HH12 ARG 29 2HH1 ARG 29 4.504 14.106 1.996 221 HH21 ARG 29 1HH2 ARG 29 2.281 13.099 -0.403 222 HH22 ARG 29 2HH2 ARG 29 3.312 14.401 0.180 223 HA PRO 30 HA PRO 30 5.884 5.245 6.414 224 HB2 PRO 30 2HB PRO 30 8.649 5.572 6.704 225 HB3 PRO 30 3HB PRO 30 7.836 4.754 5.340 226 HG2 PRO 30 2HG PRO 30 8.754 7.637 5.515 227 HG3 PRO 30 3HG PRO 30 9.040 6.464 4.187 228 HD2 PRO 30 2HD PRO 30 7.076 8.252 3.997 229 HD3 PRO 30 3HD PRO 30 6.758 6.559 3.508 230 HA PRO 31 HA PRO 31 7.488 4.087 8.025 231 HB2 PRO 31 2HB PRO 31 7.180 2.956 10.458 232 HB3 PRO 31 3HB PRO 31 8.490 4.120 10.103 233 HG2 PRO 31 2HG PRO 31 5.775 4.723 11.348 234 HG3 PRO 31 3HG PRO 31 7.395 5.121 12.012 235 HD2 PRO 31 2HD PRO 31 6.029 6.953 10.553 236 HD3 PRO 31 3HD PRO 31 7.787 6.753 10.341 237 H SER 32 H SER 32 4.222 5.078 8.889 238 HA SER 32 HA SER 32 3.202 2.428 8.026 239 HB2 SER 32 2HB SER 32 3.880 2.535 10.520 240 HB3 SER 32 3HB SER 32 2.476 3.577 10.730 241 HG SER 32 HG SER 32 2.394 0.986 9.523 242 H SER 33 H SER 33 2.636 5.278 6.937 243 HA SER 33 HA SER 33 -0.090 5.758 7.917 244 HB2 SER 33 2HB SER 33 1.324 7.368 5.799 245 HB3 SER 33 3HB SER 33 -0.045 7.826 6.815 246 HG SER 33 HG SER 33 2.671 7.584 7.417 247 H CYS 34 H CYS 34 1.203 5.407 4.607 248 HA CYS 34 HA CYS 34 0.220 5.604 2.598 249 HB2 CYS 34 2HB CYS 34 -0.697 3.374 2.971 250 HB3 CYS 34 3HB CYS 34 -2.153 4.088 3.687 251 H ILE 35 H ILE 35 -1.700 6.582 1.433 252 HA ILE 35 HA ILE 35 -3.308 8.410 3.109 253 HB ILE 35 HB ILE 35 -3.268 10.273 1.648 254 HG12 ILE 35 2HG1 ILE 35 -0.932 9.151 0.084 255 HG13 ILE 35 3HG1 ILE 35 -2.597 8.940 -0.474 256 HG21 ILE 35 1HG2 ILE 35 -0.437 9.535 2.482 257 HG22 ILE 35 2HG2 ILE 35 -1.073 11.171 2.230 258 HG23 ILE 35 3HG2 ILE 35 -1.706 10.179 3.543 259 HD11 ILE 35 1HD1 ILE 35 -1.222 11.617 0.028 260 HD12 ILE 35 2HD1 ILE 35 -1.622 10.908 -1.540 261 HD13 ILE 35 3HD1 ILE 35 -2.923 11.406 -0.447 262 H THR 36 H THR 36 -3.544 5.779 1.427 263 HA THR 36 HA THR 36 -6.280 6.513 0.486 264 HB THR 36 HB THR 36 -5.335 4.335 -1.139 265 HG1 THR 36 HG1 THR 36 -3.273 5.061 -1.129 266 HG21 THR 36 1HG2 THR 36 -5.970 5.932 -2.934 267 HG22 THR 36 2HG2 THR 36 -7.188 5.876 -1.654 268 HG23 THR 36 3HG2 THR 36 -6.048 7.239 -1.742 269 H VAL 37 H VAL 37 -4.405 4.048 2.161 270 HA VAL 37 HA VAL 37 -6.829 2.296 2.220 271 HB VAL 37 HB VAL 37 -3.906 1.502 2.460 272 HG11 VAL 37 1HG1 VAL 37 -6.440 -0.171 2.110 273 HG12 VAL 37 2HG1 VAL 37 -4.786 -0.789 1.915 274 HG13 VAL 37 3HG1 VAL 37 -5.301 -0.214 3.485 275 HG21 VAL 37 1HG2 VAL 37 -4.271 2.311 0.199 276 HG22 VAL 37 2HG2 VAL 37 -4.261 0.563 0.144 277 HG23 VAL 37 3HG2 VAL 37 -5.813 1.427 0.077 278 H GLU 38 H GLU 38 -7.346 1.066 4.024 279 HA GLU 38 HA GLU 38 -7.309 2.230 6.567 280 HB2 GLU 38 2HB GLU 38 -8.088 0.007 7.382 281 HB3 GLU 38 3HB GLU 38 -9.016 0.652 6.037 282 HG2 GLU 38 2HG GLU 38 -8.141 -0.878 4.480 283 HG3 GLU 38 3HG GLU 38 -6.818 -1.319 5.532 284 H SER 39 H SER 39 -5.849 2.516 8.036 285 HA SER 39 HA SER 39 -3.247 1.162 7.914 286 HB2 SER 39 2HB SER 39 -2.528 3.179 9.194 287 HB3 SER 39 3HB SER 39 -3.403 3.578 7.722 288 HG SER 39 HG SER 39 -4.210 4.804 9.383 289 HA PRO 40 HA PRO 40 -1.292 1.839 10.006 290 HB2 PRO 40 2HB PRO 40 0.252 -0.157 11.095 291 HB3 PRO 40 3HB PRO 40 -0.443 1.219 12.002 292 HG2 PRO 40 2HG PRO 40 -1.588 -1.573 11.672 293 HG3 PRO 40 3HG PRO 40 -1.337 -0.655 13.199 294 HD2 PRO 40 2HD PRO 40 -3.748 -0.659 12.062 295 HD3 PRO 40 3HD PRO 40 -3.081 0.888 12.636 296 H ILE 41 H ILE 41 0.300 1.434 8.567 297 HA ILE 41 HA ILE 41 -0.098 -0.796 6.607 298 HB ILE 41 HB ILE 41 0.988 1.999 6.129 299 HG12 ILE 41 2HG1 ILE 41 -1.390 2.185 6.682 300 HG13 ILE 41 3HG1 ILE 41 -1.070 2.562 5.020 301 HG21 ILE 41 1HG2 ILE 41 0.273 -0.210 4.159 302 HG22 ILE 41 2HG2 ILE 41 0.586 1.466 3.700 303 HG23 ILE 41 3HG2 ILE 41 1.864 0.504 4.422 304 HD11 ILE 41 1HD1 ILE 41 -1.977 0.399 4.276 305 HD12 ILE 41 2HD1 ILE 41 -2.256 -0.071 5.969 306 HD13 ILE 41 3HD1 ILE 41 -3.139 1.292 5.255 307 H SER 42 H SER 42 1.867 -1.565 5.512 308 HA SER 42 HA SER 42 4.412 -1.091 6.999 309 HB2 SER 42 2HB SER 42 3.282 -3.284 7.617 310 HB3 SER 42 3HB SER 42 3.599 -3.816 5.952 311 HG SER 42 HG SER 42 5.226 -4.356 7.554 312 H GLU 43 H GLU 43 6.382 -1.558 5.698 313 HA GLU 43 HA GLU 43 6.122 -0.368 3.104 314 HB2 GLU 43 2HB GLU 43 8.507 -0.508 2.963 315 HB3 GLU 43 3HB GLU 43 8.029 0.006 4.567 316 HG2 GLU 43 2HG GLU 43 9.364 -1.556 5.430 317 HG3 GLU 43 3HG GLU 43 8.280 -2.799 4.818 318 H ASN 44 H ASN 44 5.634 -3.585 3.936 319 HA ASN 44 HA ASN 44 6.105 -4.582 1.175 320 HB2 ASN 44 2HB ASN 44 5.583 -6.823 2.155 321 HB3 ASN 44 3HB ASN 44 7.027 -6.063 2.800 322 HD21 ASN 44 1HD2 ASN 44 7.224 -5.795 4.900 323 HD22 ASN 44 2HD2 ASN 44 6.039 -6.476 5.993 324 H GLY 45 H GLY 45 4.479 -5.587 0.002 325 HA2 GLY 45 2HA GLY 45 2.250 -6.085 -0.594 326 HA3 GLY 45 3HA GLY 45 1.628 -5.076 0.703 327 H TRP 46 H TRP 46 0.540 -4.959 -1.776 328 HA TRP 46 HA TRP 46 1.121 -2.216 -2.783 329 HB2 TRP 46 2HB TRP 46 2.303 -3.742 -4.319 330 HB3 TRP 46 3HB TRP 46 0.906 -4.779 -4.411 331 HD1 TRP 46 HD1 TRP 46 2.301 -1.579 -5.889 332 HE1 TRP 46 HE1 TRP 46 0.976 -0.976 -8.029 333 HE3 TRP 46 HE3 TRP 46 -1.702 -4.683 -5.304 334 HZ2 TRP 46 HZ2 TRP 46 -1.343 -1.939 -9.422 335 HZ3 TRP 46 HZ3 TRP 46 -3.425 -4.886 -7.077 336 HH2 TRP 46 HH2 TRP 46 -3.245 -3.522 -9.152 337 H CYS 47 H CYS 47 -0.736 -1.163 -3.625 338 HA CYS 47 HA CYS 47 -3.308 -2.669 -3.545 339 HB2 CYS 47 2HB CYS 47 -4.401 -0.868 -2.503 340 HB3 CYS 47 3HB CYS 47 -2.868 -0.946 -1.616 341 H ARG 48 H ARG 48 -4.968 -1.788 -4.914 342 HA ARG 48 HA ARG 48 -4.043 -1.113 -7.575 343 HB2 ARG 48 2HB ARG 48 -6.855 -1.196 -6.383 344 HB3 ARG 48 3HB ARG 48 -6.490 -1.022 -8.103 345 HG2 ARG 48 2HG ARG 48 -5.334 -3.205 -8.112 346 HG3 ARG 48 3HG ARG 48 -5.699 -3.420 -6.390 347 HD2 ARG 48 2HD ARG 48 -8.126 -3.353 -6.910 348 HD3 ARG 48 3HD ARG 48 -7.742 -3.148 -8.629 349 HE ARG 48 HE ARG 48 -6.459 -5.514 -7.505 350 HH11 ARG 48 1HH1 ARG 48 -9.653 -4.532 -8.668 351 HH12 ARG 48 2HH1 ARG 48 -9.889 -6.138 -9.360 352 HH21 ARG 48 1HH2 ARG 48 -6.963 -7.469 -8.396 353 HH22 ARG 48 2HH2 ARG 48 -8.547 -7.664 -9.156 354 H LEU 49 H LEU 49 -4.172 0.901 -4.971 355 HA LEU 49 HA LEU 49 -4.891 3.341 -6.531 356 HB2 LEU 49 2HB LEU 49 -4.865 2.744 -3.549 357 HB3 LEU 49 3HB LEU 49 -4.899 4.365 -4.183 358 HG LEU 49 HG LEU 49 -7.080 3.679 -3.473 359 HD11 LEU 49 1HD1 LEU 49 -7.048 3.917 -6.507 360 HD12 LEU 49 2HD1 LEU 49 -8.385 4.308 -5.412 361 HD13 LEU 49 3HD1 LEU 49 -6.901 5.269 -5.360 362 HD21 LEU 49 1HD2 LEU 49 -6.854 1.227 -3.973 363 HD22 LEU 49 2HD2 LEU 49 -8.404 1.967 -4.428 364 HD23 LEU 49 3HD2 LEU 49 -7.205 1.606 -5.679 365 H TYR 50 H TYR 50 -2.181 1.579 -5.551 366 HA TYR 50 HA TYR 50 -0.139 3.093 -4.766 367 HB2 TYR 50 2HB TYR 50 0.176 0.826 -5.524 368 HB3 TYR 50 3HB TYR 50 -0.278 1.234 -7.172 369 HD1 TYR 50 HD1 TYR 50 1.290 2.391 -8.698 370 HD2 TYR 50 HD2 TYR 50 2.435 1.330 -4.685 371 HE1 TYR 50 HE1 TYR 50 3.645 3.059 -9.188 372 HE2 TYR 50 HE2 TYR 50 4.795 1.923 -5.204 373 HH TYR 50 HH TYR 50 6.181 2.996 -6.682 374 H ALA 51 H ALA 51 1.169 4.763 -5.361 375 HA ALA 51 HA ALA 51 0.836 5.957 -8.078 376 HB1 ALA 51 1HB ALA 51 -0.440 7.269 -6.382 377 HB2 ALA 51 2HB ALA 51 1.091 7.562 -5.522 378 HB3 ALA 51 3HB ALA 51 0.867 8.177 -7.167 379 H GLY 52 H GLY 52 2.663 6.147 -9.185 380 HA2 GLY 52 2HA GLY 52 5.272 5.725 -8.126 381 HA3 GLY 52 3HA GLY 52 4.861 6.304 -9.735 382 H LYS 53 H LYS 53 6.998 7.428 -8.953 383 HA LYS 53 HA LYS 53 6.783 9.659 -7.142 384 HB2 LYS 53 2HB LYS 53 8.926 8.329 -8.752 385 HB3 LYS 53 3HB LYS 53 9.166 10.028 -8.310 386 HG2 LYS 53 2HG LYS 53 10.233 8.778 -6.637 387 HG3 LYS 53 3HG LYS 53 8.740 9.357 -5.908 388 HD2 LYS 53 2HD LYS 53 8.947 7.100 -5.227 389 HD3 LYS 53 3HD LYS 53 7.718 7.106 -6.507 390 HE2 LYS 53 2HE LYS 53 9.316 6.292 -8.140 391 HE3 LYS 53 3HE LYS 53 10.635 6.395 -6.972 392 HZ1 LYS 53 1HZ LYS 53 8.356 4.718 -6.222 393 HZ2 LYS 53 2HZ LYS 53 9.311 4.159 -7.416 394 HZ3 LYS 53 3HZ LYS 53 9.977 4.484 -5.971 395 H ALA 54 H ALA 54 6.497 11.510 -7.481 396 HA ALA 54 HA ALA 54 5.492 13.413 -8.203 397 HB1 ALA 54 1HB ALA 54 7.312 13.114 -10.598 398 HB2 ALA 54 2HB ALA 54 6.471 14.594 -10.077 399 HB3 ALA 54 3HB ALA 54 7.711 13.865 -9.041 Start of MODEL 7 1 H1 VAL 1 1H VAL 1 -9.168 6.677 16.119 2 H2 VAL 1 2H VAL 1 -10.604 7.498 16.082 3 H3 VAL 1 3H VAL 1 -9.184 8.304 16.025 4 HA VAL 1 HA VAL 1 -10.206 8.289 13.884 5 HB VAL 1 HB VAL 1 -7.736 8.314 14.120 6 HG11 VAL 1 1HG1 VAL 1 -7.806 5.360 13.378 7 HG12 VAL 1 2HG1 VAL 1 -6.379 6.392 13.569 8 HG13 VAL 1 3HG1 VAL 1 -7.362 5.991 14.976 9 HG21 VAL 1 1HG2 VAL 1 -8.783 8.675 11.942 10 HG22 VAL 1 2HG2 VAL 1 -7.243 7.835 11.775 11 HG23 VAL 1 3HG2 VAL 1 -8.749 6.927 11.614 12 H THR 2 H THR 2 -11.379 7.280 12.335 13 HA THR 2 HA THR 2 -12.130 4.435 12.790 14 HB THR 2 HB THR 2 -13.882 6.190 12.473 15 HG1 THR 2 HG1 THR 2 -15.083 4.822 11.168 16 HG21 THR 2 1HG2 THR 2 -12.829 7.434 10.544 17 HG22 THR 2 2HG2 THR 2 -13.131 6.011 9.522 18 HG23 THR 2 3HG2 THR 2 -14.486 6.898 10.242 19 H LYS 3 H LYS 3 -12.203 2.912 10.998 20 HA LYS 3 HA LYS 3 -9.665 2.814 9.647 21 HB2 LYS 3 2HB LYS 3 -11.161 0.908 10.593 22 HB3 LYS 3 3HB LYS 3 -11.997 0.979 9.036 23 HG2 LYS 3 2HG LYS 3 -9.801 0.547 7.889 24 HG3 LYS 3 3HG LYS 3 -9.006 0.529 9.478 25 HD2 LYS 3 2HD LYS 3 -10.392 -1.418 10.140 26 HD3 LYS 3 3HD LYS 3 -11.157 -1.403 8.535 27 HE2 LYS 3 2HE LYS 3 -8.898 -1.722 7.493 28 HE3 LYS 3 3HE LYS 3 -8.180 -1.807 9.112 29 HZ1 LYS 3 1HZ LYS 3 -10.251 -3.645 8.049 30 HZ2 LYS 3 2HZ LYS 3 -8.672 -4.044 8.213 31 HZ3 LYS 3 3HZ LYS 3 -9.619 -3.762 9.537 32 H LYS 4 H LYS 4 -9.179 2.674 7.460 33 HA LYS 4 HA LYS 4 -10.880 4.160 5.520 34 HB2 LYS 4 2HB LYS 4 -8.095 2.910 5.232 35 HB3 LYS 4 3HB LYS 4 -8.930 3.886 4.015 36 HG2 LYS 4 2HG LYS 4 -9.186 5.550 6.104 37 HG3 LYS 4 3HG LYS 4 -7.681 4.752 6.576 38 HD2 LYS 4 2HD LYS 4 -7.030 6.670 5.422 39 HD3 LYS 4 3HD LYS 4 -6.821 5.391 4.207 40 HE2 LYS 4 2HE LYS 4 -8.942 5.979 3.169 41 HE3 LYS 4 3HE LYS 4 -9.387 7.019 4.531 42 HZ1 LYS 4 1HZ LYS 4 -7.237 7.614 2.594 43 HZ2 LYS 4 2HZ LYS 4 -8.667 8.404 2.777 44 HZ3 LYS 4 3HZ LYS 4 -7.543 8.475 3.969 45 H ALA 5 H ALA 5 -10.290 2.887 3.227 46 HA ALA 5 HA ALA 5 -12.068 0.589 3.166 47 HB1 ALA 5 1HB ALA 5 -10.076 1.566 1.086 48 HB2 ALA 5 2HB ALA 5 -11.371 0.381 0.825 49 HB3 ALA 5 3HB ALA 5 -11.782 2.066 1.208 50 H SER 6 H SER 6 -11.588 -1.565 3.320 51 HA SER 6 HA SER 6 -8.990 -2.389 4.353 52 HB2 SER 6 2HB SER 6 -9.833 -4.572 4.508 53 HB3 SER 6 3HB SER 6 -11.184 -3.516 4.925 54 HG SER 6 HG SER 6 -12.214 -4.121 3.140 55 H HIS 7 H HIS 7 -7.601 -4.046 3.350 56 HA HIS 7 HA HIS 7 -6.848 -3.403 0.660 57 HB2 HIS 7 2HB HIS 7 -5.374 -5.315 0.802 58 HB3 HIS 7 3HB HIS 7 -5.290 -4.385 2.291 59 HD2 HIS 7 HD2 HIS 7 -6.366 -5.526 4.503 60 HE1 HIS 7 HE1 HIS 7 -6.997 -9.413 2.876 61 HE2 HIS 7 HE2 HIS 7 -7.011 -8.020 5.009 62 H LYS 8 H LYS 8 -8.856 -6.023 1.903 63 HA LYS 8 HA LYS 8 -9.478 -7.407 -0.492 64 HB2 LYS 8 2HB LYS 8 -10.020 -8.046 1.930 65 HB3 LYS 8 3HB LYS 8 -11.358 -6.904 1.842 66 HG2 LYS 8 2HG LYS 8 -12.430 -8.825 1.270 67 HG3 LYS 8 3HG LYS 8 -12.020 -8.262 -0.344 68 HD2 LYS 8 2HD LYS 8 -9.902 -9.710 -0.180 69 HD3 LYS 8 3HD LYS 8 -10.581 -10.400 1.294 70 HE2 LYS 8 2HE LYS 8 -11.774 -10.510 -1.514 71 HE3 LYS 8 3HE LYS 8 -10.994 -11.833 -0.642 72 HZ1 LYS 8 1HZ LYS 8 -13.566 -10.532 0.017 73 HZ2 LYS 8 2HZ LYS 8 -13.340 -12.092 -0.420 74 HZ3 LYS 8 3HZ LYS 8 -12.807 -11.572 1.056 75 H ASP 9 H ASP 9 -11.350 -4.752 1.010 76 HA ASP 9 HA ASP 9 -13.222 -4.460 -1.123 77 HB2 ASP 9 2HB ASP 9 -12.332 -2.696 1.181 78 HB3 ASP 9 3HB ASP 9 -13.705 -2.368 0.162 79 H ALA 10 H ALA 10 -10.036 -2.961 -0.576 80 HA ALA 10 HA ALA 10 -10.200 -1.115 -2.804 81 HB1 ALA 10 1HB ALA 10 -7.804 -2.228 -1.304 82 HB2 ALA 10 2HB ALA 10 -7.826 -0.799 -2.360 83 HB3 ALA 10 3HB ALA 10 -8.748 -0.790 -0.848 84 H GLY 11 H GLY 11 -10.006 -4.509 -2.824 85 HA2 GLY 11 2HA GLY 11 -9.826 -5.949 -4.618 86 HA3 GLY 11 3HA GLY 11 -9.451 -4.593 -5.687 87 H TYR 12 H TYR 12 -7.678 -5.535 -2.722 88 HA TYR 12 HA TYR 12 -5.150 -5.399 -4.024 89 HB2 TYR 12 2HB TYR 12 -5.502 -4.878 -1.669 90 HB3 TYR 12 3HB TYR 12 -5.959 -6.553 -1.342 91 HD1 TYR 12 HD1 TYR 12 -3.072 -4.873 -3.136 92 HD2 TYR 12 HD2 TYR 12 -4.338 -7.609 -0.042 93 HE1 TYR 12 HE1 TYR 12 -0.715 -5.460 -2.683 94 HE2 TYR 12 HE2 TYR 12 -1.952 -8.092 0.489 95 HH TYR 12 HH TYR 12 0.716 -6.548 -1.317 96 H GLN 13 H GLN 13 -3.519 -7.014 -4.126 97 HA GLN 13 HA GLN 13 -4.485 -9.535 -5.349 98 HB2 GLN 13 2HB GLN 13 -2.001 -9.469 -6.225 99 HB3 GLN 13 3HB GLN 13 -3.297 -8.578 -6.984 100 HG2 GLN 13 2HG GLN 13 -2.522 -6.478 -5.869 101 HG3 GLN 13 3HG GLN 13 -1.187 -7.380 -5.136 102 HE21 GLN 13 1HE2 GLN 13 0.648 -6.750 -6.054 103 HE22 GLN 13 2HE2 GLN 13 0.806 -6.544 -7.769 104 H GLU 14 H GLU 14 -2.799 -11.375 -5.237 105 HA GLU 14 HA GLU 14 -2.530 -12.058 -2.406 106 HB2 GLU 14 2HB GLU 14 -1.919 -14.236 -3.177 107 HB3 GLU 14 3HB GLU 14 -3.374 -13.632 -3.976 108 HG2 GLU 14 2HG GLU 14 -2.269 -13.319 -6.054 109 HG3 GLU 14 3HG GLU 14 -0.671 -13.442 -5.329 110 H SER 15 H SER 15 -0.439 -10.437 -4.491 111 HA SER 15 HA SER 15 1.697 -10.589 -2.521 112 HB2 SER 15 2HB SER 15 3.379 -10.998 -4.582 113 HB3 SER 15 3HB SER 15 2.765 -12.283 -3.551 114 HG SER 15 HG SER 15 1.687 -13.088 -5.116 115 HA PRO 16 HA PRO 16 2.551 -6.437 -3.920 116 HB2 PRO 16 2HB PRO 16 5.471 -7.144 -3.884 117 HB3 PRO 16 3HB PRO 16 4.638 -5.751 -3.123 118 HG2 PRO 16 2HG PRO 16 5.417 -7.869 -1.612 119 HG3 PRO 16 3HG PRO 16 3.801 -7.125 -1.355 120 HD2 PRO 16 2HD PRO 16 4.488 -9.620 -2.941 121 HD3 PRO 16 3HD PRO 16 3.202 -9.362 -1.724 122 H ASN 17 H ASN 17 3.488 -5.171 -5.727 123 HA ASN 17 HA ASN 17 3.534 -6.749 -8.239 124 HB2 ASN 17 2HB ASN 17 1.877 -5.050 -8.120 125 HB3 ASN 17 3HB ASN 17 2.981 -3.884 -7.496 126 HD21 ASN 17 1HD2 ASN 17 1.739 -2.750 -9.288 127 HD22 ASN 17 2HD2 ASN 17 2.503 -2.759 -10.873 128 H GLY 18 H GLY 18 5.685 -7.496 -7.142 129 HA2 GLY 18 2HA GLY 18 7.970 -7.691 -7.384 130 HA3 GLY 18 3HA GLY 18 7.757 -6.829 -8.904 131 H ALA 19 H ALA 19 8.729 -4.940 -9.102 132 HA ALA 19 HA ALA 19 10.233 -3.726 -6.946 133 HB1 ALA 19 1HB ALA 19 11.059 -3.933 -9.265 134 HB2 ALA 19 2HB ALA 19 9.779 -2.830 -9.824 135 HB3 ALA 19 3HB ALA 19 11.045 -2.254 -8.718 136 H LYS 20 H LYS 20 6.952 -3.343 -7.731 137 HA LYS 20 HA LYS 20 6.824 -0.583 -6.594 138 HB2 LYS 20 2HB LYS 20 4.668 -2.122 -8.087 139 HB3 LYS 20 3HB LYS 20 4.607 -0.465 -7.509 140 HG2 LYS 20 2HG LYS 20 5.153 0.037 -9.619 141 HG3 LYS 20 3HG LYS 20 6.806 -0.229 -9.054 142 HD2 LYS 20 2HD LYS 20 6.768 -2.517 -10.001 143 HD3 LYS 20 3HD LYS 20 5.053 -2.312 -10.429 144 HE2 LYS 20 2HE LYS 20 5.603 -0.479 -11.951 145 HE3 LYS 20 3HE LYS 20 7.313 -0.570 -11.505 146 HZ1 LYS 20 1HZ LYS 20 6.719 -1.698 -13.599 147 HZ2 LYS 20 2HZ LYS 20 7.482 -2.695 -12.551 148 HZ3 LYS 20 3HZ LYS 20 5.837 -2.814 -12.788 149 H ARG 21 H ARG 21 6.286 -0.383 -4.587 150 HA ARG 21 HA ARG 21 4.090 -1.691 -3.360 151 HB2 ARG 21 2HB ARG 21 4.981 -3.054 -1.720 152 HB3 ARG 21 3HB ARG 21 6.058 -3.413 -3.060 153 HG2 ARG 21 2HG ARG 21 7.666 -1.660 -2.059 154 HG3 ARG 21 3HG ARG 21 6.579 -1.634 -0.646 155 HD2 ARG 21 2HD ARG 21 6.904 -4.182 -0.552 156 HD3 ARG 21 3HD ARG 21 8.208 -3.961 -1.727 157 HE ARG 21 HE ARG 21 8.393 -2.225 0.635 158 HH11 ARG 21 1HH1 ARG 21 9.044 -5.591 -0.235 159 HH12 ARG 21 2HH1 ARG 21 10.363 -5.642 0.934 160 HH21 ARG 21 1HH2 ARG 21 10.265 -2.357 1.758 161 HH22 ARG 21 2HH2 ARG 21 11.021 -3.928 1.990 162 H CYS 22 H CYS 22 3.704 -0.859 -1.123 163 HA CYS 22 HA CYS 22 3.557 1.732 -0.703 164 HB2 CYS 22 2HB CYS 22 4.146 -0.444 1.363 165 HB3 CYS 22 3HB CYS 22 3.323 1.108 1.664 166 H GLY 23 H GLY 23 6.495 0.070 0.729 167 HA2 GLY 23 2HA GLY 23 7.816 2.351 1.595 168 HA3 GLY 23 3HA GLY 23 8.592 0.867 1.079 169 H THR 24 H THR 24 7.387 1.553 -1.768 170 HA THR 24 HA THR 24 9.227 3.727 -2.592 171 HB THR 24 HB THR 24 10.368 1.652 -3.041 172 HG1 THR 24 HG1 THR 24 10.894 3.165 -4.466 173 HG21 THR 24 1HG2 THR 24 9.578 0.112 -4.745 174 HG22 THR 24 2HG2 THR 24 8.464 0.168 -3.379 175 HG23 THR 24 3HG2 THR 24 8.047 1.019 -4.884 176 H CYS 25 H CYS 25 6.364 3.648 -1.972 177 HA CYS 25 HA CYS 25 4.895 3.999 -4.457 178 HB2 CYS 25 2HB CYS 25 3.895 3.110 -2.423 179 HB3 CYS 25 3HB CYS 25 4.305 4.557 -1.521 180 H ARG 26 H ARG 26 3.412 6.098 -4.364 181 HA ARG 26 HA ARG 26 5.103 8.387 -5.014 182 HB2 ARG 26 2HB ARG 26 3.386 9.305 -5.980 183 HB3 ARG 26 3HB ARG 26 2.629 7.738 -5.894 184 HG2 ARG 26 2HG ARG 26 2.131 9.851 -3.730 185 HG3 ARG 26 3HG ARG 26 1.380 9.955 -5.294 186 HD2 ARG 26 2HD ARG 26 -0.208 8.970 -3.877 187 HD3 ARG 26 3HD ARG 26 0.330 7.749 -5.007 188 HE ARG 26 HE ARG 26 1.333 6.522 -3.249 189 HH11 ARG 26 1HH1 ARG 26 0.028 9.524 -1.854 190 HH12 ARG 26 2HH1 ARG 26 -0.006 8.764 -0.269 191 HH21 ARG 26 1HH2 ARG 26 1.375 5.806 -1.230 192 HH22 ARG 26 2HH2 ARG 26 0.768 6.796 0.079 193 H GLN 27 H GLN 27 3.781 7.202 -2.071 194 HA GLN 27 HA GLN 27 5.320 9.244 -0.653 195 HB2 GLN 27 2HB GLN 27 2.885 10.107 -0.973 196 HB3 GLN 27 3HB GLN 27 2.424 8.799 0.115 197 HG2 GLN 27 2HG GLN 27 3.883 9.786 1.884 198 HG3 GLN 27 3HG GLN 27 4.258 11.123 0.782 199 HE21 GLN 27 1HE2 GLN 27 2.200 12.325 -0.105 200 HE22 GLN 27 2HE2 GLN 27 0.896 12.512 1.065 201 H PHE 28 H PHE 28 5.930 8.476 1.454 202 HA PHE 28 HA PHE 28 4.778 5.859 2.343 203 HB2 PHE 28 2HB PHE 28 7.077 5.561 1.466 204 HB3 PHE 28 3HB PHE 28 7.663 6.746 2.634 205 HD1 PHE 28 HD1 PHE 28 5.510 3.643 2.613 206 HD2 PHE 28 HD2 PHE 28 8.645 5.855 4.581 207 HE1 PHE 28 HE1 PHE 28 5.683 1.872 4.333 208 HE2 PHE 28 HE2 PHE 28 8.820 4.064 6.300 209 HZ PHE 28 HZ PHE 28 7.325 2.078 6.184 210 H ARG 29 H ARG 29 5.957 9.054 3.266 211 HA ARG 29 HA ARG 29 5.915 10.229 5.217 212 HB2 ARG 29 2HB ARG 29 3.603 10.381 4.299 213 HB3 ARG 29 3HB ARG 29 3.117 9.094 5.387 214 HG2 ARG 29 2HG ARG 29 2.483 11.134 6.437 215 HG3 ARG 29 3HG ARG 29 3.882 10.566 7.326 216 HD2 ARG 29 2HD ARG 29 4.210 12.868 7.104 217 HD3 ARG 29 3HD ARG 29 5.297 12.185 5.918 218 HE ARG 29 HE ARG 29 2.770 13.689 5.462 219 HH11 ARG 29 1HH1 ARG 29 5.646 12.350 3.847 220 HH12 ARG 29 2HH1 ARG 29 5.088 13.023 2.322 221 HH21 ARG 29 1HH2 ARG 29 2.329 14.526 3.422 222 HH22 ARG 29 2HH2 ARG 29 3.406 14.093 2.102 223 HA PRO 30 HA PRO 30 7.118 6.398 7.442 224 HB2 PRO 30 2HB PRO 30 9.511 7.272 8.528 225 HB3 PRO 30 3HB PRO 30 9.320 6.707 6.841 226 HG2 PRO 30 2HG PRO 30 9.213 9.568 7.867 227 HG3 PRO 30 3HG PRO 30 10.195 8.927 6.510 228 HD2 PRO 30 2HD PRO 30 7.863 10.131 6.048 229 HD3 PRO 30 3HD PRO 30 8.267 8.638 5.139 230 HA PRO 31 HA PRO 31 8.293 5.262 9.231 231 HB2 PRO 31 2HB PRO 31 7.540 3.682 11.298 232 HB3 PRO 31 3HB PRO 31 8.723 5.009 11.495 233 HG2 PRO 31 2HG PRO 31 5.739 5.107 12.053 234 HG3 PRO 31 3HG PRO 31 7.079 5.560 13.160 235 HD2 PRO 31 2HD PRO 31 5.778 7.414 11.647 236 HD3 PRO 31 3HD PRO 31 7.541 7.511 11.913 237 H SER 32 H SER 32 4.791 5.758 9.484 238 HA SER 32 HA SER 32 4.227 3.220 8.063 239 HB2 SER 32 2HB SER 32 3.028 2.271 9.999 240 HB3 SER 32 3HB SER 32 4.730 2.543 10.383 241 HG SER 32 HG SER 32 2.541 4.226 11.007 242 H SER 33 H SER 33 3.306 5.588 6.910 243 HA SER 33 HA SER 33 0.370 5.465 7.566 244 HB2 SER 33 2HB SER 33 1.994 7.934 6.917 245 HB3 SER 33 3HB SER 33 0.222 7.860 6.948 246 HG SER 33 HG SER 33 2.062 7.533 9.073 247 H CYS 34 H CYS 34 -1.109 5.443 5.943 248 HA CYS 34 HA CYS 34 -0.300 6.287 3.227 249 HB2 CYS 34 2HB CYS 34 -0.101 3.862 3.113 250 HB3 CYS 34 3HB CYS 34 -1.736 3.661 3.771 251 H ILE 35 H ILE 35 -1.952 7.005 1.936 252 HA ILE 35 HA ILE 35 -4.421 7.958 3.313 253 HB ILE 35 HB ILE 35 -4.608 9.636 1.625 254 HG12 ILE 35 2HG1 ILE 35 -2.054 8.482 0.419 255 HG13 ILE 35 3HG1 ILE 35 -3.662 8.420 -0.286 256 HG21 ILE 35 1HG2 ILE 35 -1.806 9.662 2.809 257 HG22 ILE 35 2HG2 ILE 35 -2.794 11.057 2.340 258 HG23 ILE 35 3HG2 ILE 35 -3.296 10.045 3.695 259 HD11 ILE 35 1HD1 ILE 35 -1.997 10.897 0.166 260 HD12 ILE 35 2HD1 ILE 35 -2.499 10.178 -1.378 261 HD13 ILE 35 3HD1 ILE 35 -3.718 10.915 -0.311 262 H THR 36 H THR 36 -3.434 5.559 1.129 263 HA THR 36 HA THR 36 -5.821 5.740 -0.613 264 HB THR 36 HB THR 36 -3.400 3.910 -0.768 265 HG1 THR 36 HG1 THR 36 -2.444 5.381 -1.846 266 HG21 THR 36 1HG2 THR 36 -5.523 4.703 -2.811 267 HG22 THR 36 2HG2 THR 36 -3.983 3.912 -3.224 268 HG23 THR 36 3HG2 THR 36 -5.147 3.073 -2.193 269 H VAL 37 H VAL 37 -4.461 3.578 1.859 270 HA VAL 37 HA VAL 37 -6.926 1.928 1.827 271 HB VAL 37 HB VAL 37 -5.031 1.101 0.223 272 HG11 VAL 37 1HG1 VAL 37 -3.927 -0.080 2.803 273 HG12 VAL 37 2HG1 VAL 37 -3.364 -0.357 1.145 274 HG13 VAL 37 3HG1 VAL 37 -3.179 1.244 1.884 275 HG21 VAL 37 1HG2 VAL 37 -7.082 -0.149 0.778 276 HG22 VAL 37 2HG2 VAL 37 -5.666 -1.172 0.480 277 HG23 VAL 37 3HG2 VAL 37 -6.233 -0.906 2.134 278 H GLU 38 H GLU 38 -6.773 0.226 3.646 279 HA GLU 38 HA GLU 38 -6.726 1.242 6.138 280 HB2 GLU 38 2HB GLU 38 -6.286 -1.132 6.944 281 HB3 GLU 38 3HB GLU 38 -7.610 -0.911 5.807 282 HG2 GLU 38 2HG GLU 38 -6.406 -1.923 4.049 283 HG3 GLU 38 3HG GLU 38 -4.860 -1.732 4.891 284 H SER 39 H SER 39 -5.466 2.130 7.462 285 HA SER 39 HA SER 39 -2.519 1.789 7.483 286 HB2 SER 39 2HB SER 39 -3.042 3.561 5.938 287 HB3 SER 39 3HB SER 39 -4.079 4.334 7.140 288 HG SER 39 HG SER 39 -2.420 5.229 8.000 289 HA PRO 40 HA PRO 40 -0.759 3.265 9.310 290 HB2 PRO 40 2HB PRO 40 -0.257 1.228 11.485 291 HB3 PRO 40 3HB PRO 40 0.645 2.731 11.128 292 HG2 PRO 40 2HG PRO 40 -1.153 2.722 13.126 293 HG3 PRO 40 3HG PRO 40 -1.159 4.089 11.958 294 HD2 PRO 40 2HD PRO 40 -2.937 1.628 11.982 295 HD3 PRO 40 3HD PRO 40 -3.386 3.346 11.794 296 H ILE 41 H ILE 41 0.895 2.283 8.235 297 HA ILE 41 HA ILE 41 0.282 -0.363 7.000 298 HB ILE 41 HB ILE 41 -0.044 1.822 5.729 299 HG12 ILE 41 2HG1 ILE 41 1.820 -0.152 4.370 300 HG13 ILE 41 3HG1 ILE 41 0.105 -0.447 4.699 301 HG21 ILE 41 1HG2 ILE 41 2.988 1.763 5.417 302 HG22 ILE 41 2HG2 ILE 41 1.854 2.958 4.769 303 HG23 ILE 41 3HG2 ILE 41 2.125 2.857 6.503 304 HD11 ILE 41 1HD1 ILE 41 -0.529 1.486 3.324 305 HD12 ILE 41 2HD1 ILE 41 1.191 1.794 2.950 306 HD13 ILE 41 3HD1 ILE 41 0.419 0.305 2.414 307 H SER 42 H SER 42 2.202 -1.509 5.995 308 HA SER 42 HA SER 42 4.608 -1.398 7.751 309 HB2 SER 42 2HB SER 42 4.998 -3.632 7.177 310 HB3 SER 42 3HB SER 42 3.245 -3.550 7.358 311 HG SER 42 HG SER 42 3.755 -4.649 5.486 312 H GLU 43 H GLU 43 6.655 -2.255 6.253 313 HA GLU 43 HA GLU 43 7.294 -0.221 4.310 314 HB2 GLU 43 2HB GLU 43 9.281 -1.572 3.916 315 HB3 GLU 43 3HB GLU 43 8.970 -1.422 5.638 316 HG2 GLU 43 2HG GLU 43 8.011 -3.735 5.647 317 HG3 GLU 43 3HG GLU 43 8.349 -3.828 3.937 318 H ASN 44 H ASN 44 5.154 -2.806 4.035 319 HA ASN 44 HA ASN 44 5.753 -3.430 1.190 320 HB2 ASN 44 2HB ASN 44 6.711 -4.938 3.033 321 HB3 ASN 44 3HB ASN 44 5.058 -5.371 3.441 322 HD21 ASN 44 1HD2 ASN 44 6.106 -7.384 3.205 323 HD22 ASN 44 2HD2 ASN 44 5.880 -8.142 1.636 324 H GLY 45 H GLY 45 3.947 -4.837 0.248 325 HA2 GLY 45 2HA GLY 45 1.469 -5.282 0.561 326 HA3 GLY 45 3HA GLY 45 1.289 -3.557 0.844 327 H TRP 46 H TRP 46 1.872 -2.101 -0.890 328 HA TRP 46 HA TRP 46 1.578 -1.256 -2.982 329 HB2 TRP 46 2HB TRP 46 2.776 -3.301 -4.033 330 HB3 TRP 46 3HB TRP 46 1.188 -3.989 -4.196 331 HD1 TRP 46 HD1 TRP 46 3.010 -0.749 -5.337 332 HE1 TRP 46 HE1 TRP 46 2.082 -0.045 -7.615 333 HE3 TRP 46 HE3 TRP 46 -0.644 -4.295 -5.827 334 HZ2 TRP 46 HZ2 TRP 46 0.024 -0.940 -9.445 335 HZ3 TRP 46 HZ3 TRP 46 -2.074 -4.351 -7.862 336 HH2 TRP 46 HH2 TRP 46 -1.756 -2.679 -9.655 337 H CYS 47 H CYS 47 -0.214 -0.701 -4.297 338 HA CYS 47 HA CYS 47 -2.758 -2.097 -4.030 339 HB2 CYS 47 2HB CYS 47 -3.996 -0.331 -3.052 340 HB3 CYS 47 3HB CYS 47 -2.540 -0.413 -2.055 341 H ARG 48 H ARG 48 -4.416 -1.037 -5.526 342 HA ARG 48 HA ARG 48 -3.079 -0.694 -8.092 343 HB2 ARG 48 2HB ARG 48 -6.036 -0.829 -7.380 344 HB3 ARG 48 3HB ARG 48 -5.373 -0.852 -9.024 345 HG2 ARG 48 2HG ARG 48 -4.061 -2.889 -8.472 346 HG3 ARG 48 3HG ARG 48 -4.790 -2.924 -6.857 347 HD2 ARG 48 2HD ARG 48 -7.030 -3.140 -7.876 348 HD3 ARG 48 3HD ARG 48 -6.307 -3.148 -9.488 349 HE ARG 48 HE ARG 48 -6.379 -5.326 -7.529 350 HH11 ARG 48 1HH1 ARG 48 -4.664 -4.219 -10.423 351 HH12 ARG 48 2HH1 ARG 48 -4.033 -5.811 -10.746 352 HH21 ARG 48 1HH2 ARG 48 -5.663 -7.323 -8.114 353 HH22 ARG 48 2HH2 ARG 48 -4.695 -7.535 -9.556 354 H LEU 49 H LEU 49 -4.019 1.611 -5.902 355 HA LEU 49 HA LEU 49 -4.319 3.942 -6.060 356 HB2 LEU 49 2HB LEU 49 -2.054 3.223 -5.541 357 HB3 LEU 49 3HB LEU 49 -1.654 3.119 -7.253 358 HG LEU 49 HG LEU 49 -1.933 5.617 -7.428 359 HD11 LEU 49 1HD1 LEU 49 -2.184 5.464 -4.397 360 HD12 LEU 49 2HD1 LEU 49 -1.950 6.947 -5.347 361 HD13 LEU 49 3HD1 LEU 49 -3.444 6.018 -5.517 362 HD21 LEU 49 1HD2 LEU 49 0.262 4.461 -7.000 363 HD22 LEU 49 2HD2 LEU 49 0.176 6.132 -6.430 364 HD23 LEU 49 3HD2 LEU 49 0.033 4.781 -5.272 365 H TYR 50 H TYR 50 -5.938 4.731 -7.438 366 HA TYR 50 HA TYR 50 -5.312 4.995 -10.302 367 HB2 TYR 50 2HB TYR 50 -7.841 5.672 -8.811 368 HB3 TYR 50 3HB TYR 50 -7.645 5.574 -10.560 369 HD1 TYR 50 HD1 TYR 50 -6.420 3.196 -11.303 370 HD2 TYR 50 HD2 TYR 50 -8.853 3.806 -7.792 371 HE1 TYR 50 HE1 TYR 50 -6.863 0.752 -11.179 372 HE2 TYR 50 HE2 TYR 50 -9.266 1.363 -7.655 373 HH TYR 50 HH TYR 50 -8.779 -0.692 -8.523 374 H ALA 51 H ALA 51 -4.644 6.968 -7.720 375 HA ALA 51 HA ALA 51 -4.779 9.554 -9.067 376 HB1 ALA 51 1HB ALA 51 -3.327 8.648 -6.543 377 HB2 ALA 51 2HB ALA 51 -3.615 10.327 -7.044 378 HB3 ALA 51 3HB ALA 51 -4.981 9.292 -6.610 379 H GLY 52 H GLY 52 -2.635 10.883 -9.100 380 HA2 GLY 52 2HA GLY 52 -0.813 9.779 -10.990 381 HA3 GLY 52 3HA GLY 52 -0.663 11.328 -10.170 382 H LYS 53 H LYS 53 1.405 9.375 -10.833 383 HA LYS 53 HA LYS 53 2.376 8.377 -8.210 384 HB2 LYS 53 2HB LYS 53 2.919 7.445 -11.063 385 HB3 LYS 53 3HB LYS 53 3.873 6.911 -9.701 386 HG2 LYS 53 2HG LYS 53 2.417 5.186 -9.810 387 HG3 LYS 53 3HG LYS 53 1.636 6.197 -8.587 388 HD2 LYS 53 2HD LYS 53 0.223 7.175 -10.396 389 HD3 LYS 53 3HD LYS 53 0.994 6.095 -11.561 390 HE2 LYS 53 2HE LYS 53 0.059 4.139 -10.376 391 HE3 LYS 53 3HE LYS 53 -0.571 5.197 -9.098 392 HZ1 LYS 53 1HZ LYS 53 -1.909 6.306 -10.814 393 HZ2 LYS 53 2HZ LYS 53 -1.430 5.152 -11.923 394 HZ3 LYS 53 3HZ LYS 53 -2.329 4.743 -10.595 395 H ALA 54 H ALA 54 4.834 7.977 -8.689 396 HA ALA 54 HA ALA 54 6.271 10.481 -9.305 397 HB1 ALA 54 1HB ALA 54 6.567 9.132 -6.593 398 HB2 ALA 54 2HB ALA 54 7.397 10.593 -7.158 399 HB3 ALA 54 3HB ALA 54 5.649 10.633 -6.889 Start of MODEL 8 1 H1 VAL 1 1H VAL 1 -10.869 14.376 3.116 2 H2 VAL 1 2H VAL 1 -12.239 14.890 3.880 3 H3 VAL 1 3H VAL 1 -11.248 15.976 3.166 4 HA VAL 1 HA VAL 1 -13.163 15.698 1.833 5 HB VAL 1 HB VAL 1 -10.879 14.288 0.424 6 HG11 VAL 1 1HG1 VAL 1 -13.136 16.075 -0.579 7 HG12 VAL 1 2HG1 VAL 1 -11.802 15.446 -1.566 8 HG13 VAL 1 3HG1 VAL 1 -12.968 14.328 -0.868 9 HG21 VAL 1 1HG2 VAL 1 -9.964 16.341 1.448 10 HG22 VAL 1 2HG2 VAL 1 -10.134 16.535 -0.292 11 HG23 VAL 1 3HG2 VAL 1 -11.323 17.284 0.784 12 H THR 2 H THR 2 -11.499 12.444 2.091 13 HA THR 2 HA THR 2 -14.186 11.196 1.876 14 HB THR 2 HB THR 2 -13.143 11.700 -0.384 15 HG1 THR 2 HG1 THR 2 -13.985 9.897 -1.193 16 HG21 THR 2 1HG2 THR 2 -11.597 10.152 -1.353 17 HG22 THR 2 2HG2 THR 2 -10.830 10.848 0.082 18 HG23 THR 2 3HG2 THR 2 -11.503 9.200 0.139 19 H LYS 3 H LYS 3 -14.432 9.176 2.673 20 HA LYS 3 HA LYS 3 -12.771 8.088 4.644 21 HB2 LYS 3 2HB LYS 3 -15.198 7.545 4.198 22 HB3 LYS 3 3HB LYS 3 -14.658 6.549 2.840 23 HG2 LYS 3 2HG LYS 3 -13.168 5.375 4.724 24 HG3 LYS 3 3HG LYS 3 -14.339 6.104 5.813 25 HD2 LYS 3 2HD LYS 3 -16.161 4.957 4.657 26 HD3 LYS 3 3HD LYS 3 -15.040 4.286 3.463 27 HE2 LYS 3 2HE LYS 3 -14.853 3.751 6.462 28 HE3 LYS 3 3HE LYS 3 -15.736 2.704 5.348 29 HZ1 LYS 3 1HZ LYS 3 -13.460 1.943 5.800 30 HZ2 LYS 3 2HZ LYS 3 -13.689 2.216 4.189 31 HZ3 LYS 3 3HZ LYS 3 -12.836 3.291 5.080 32 H LYS 4 H LYS 4 -11.040 6.868 4.693 33 HA LYS 4 HA LYS 4 -9.518 5.995 2.422 34 HB2 LYS 4 2HB LYS 4 -9.422 5.062 5.319 35 HB3 LYS 4 3HB LYS 4 -8.199 4.726 4.081 36 HG2 LYS 4 2HG LYS 4 -7.915 7.215 3.783 37 HG3 LYS 4 3HG LYS 4 -9.053 7.464 5.087 38 HD2 LYS 4 2HD LYS 4 -6.871 7.694 6.050 39 HD3 LYS 4 3HD LYS 4 -7.559 6.181 6.635 40 HE2 LYS 4 2HE LYS 4 -6.270 4.980 4.820 41 HE3 LYS 4 3HE LYS 4 -5.537 6.530 4.379 42 HZ1 LYS 4 1HZ LYS 4 -4.582 6.631 6.609 43 HZ2 LYS 4 2HZ LYS 4 -5.298 5.210 7.030 44 HZ3 LYS 4 3HZ LYS 4 -4.125 5.263 5.851 45 H ALA 5 H ALA 5 -9.090 4.003 1.690 46 HA ALA 5 HA ALA 5 -11.437 2.240 1.441 47 HB1 ALA 5 1HB ALA 5 -8.689 2.158 0.135 48 HB2 ALA 5 2HB ALA 5 -10.062 1.110 -0.283 49 HB3 ALA 5 3HB ALA 5 -10.171 2.861 -0.555 50 H SER 6 H SER 6 -11.747 0.298 2.403 51 HA SER 6 HA SER 6 -9.873 -0.817 4.308 52 HB2 SER 6 2HB SER 6 -11.340 -2.593 4.570 53 HB3 SER 6 3HB SER 6 -12.378 -1.200 4.276 54 HG SER 6 HG SER 6 -12.926 -1.990 2.320 55 H HIS 7 H HIS 7 -8.885 -3.010 4.106 56 HA HIS 7 HA HIS 7 -7.078 -3.052 1.880 57 HB2 HIS 7 2HB HIS 7 -7.737 -5.146 3.983 58 HB3 HIS 7 3HB HIS 7 -6.456 -5.325 2.792 59 HD2 HIS 7 HD2 HIS 7 -6.697 -1.766 4.142 60 HE1 HIS 7 HE1 HIS 7 -3.526 -3.627 6.267 61 HE2 HIS 7 HE2 HIS 7 -4.677 -1.404 5.757 62 H LYS 8 H LYS 8 -10.183 -4.625 2.264 63 HA LYS 8 HA LYS 8 -10.107 -6.216 -0.141 64 HB2 LYS 8 2HB LYS 8 -11.735 -6.464 1.789 65 HB3 LYS 8 3HB LYS 8 -12.528 -4.993 1.225 66 HG2 LYS 8 2HG LYS 8 -13.773 -6.681 0.246 67 HG3 LYS 8 3HG LYS 8 -12.723 -6.205 -1.075 68 HD2 LYS 8 2HD LYS 8 -11.169 -8.133 -0.404 69 HD3 LYS 8 3HD LYS 8 -12.416 -8.633 0.753 70 HE2 LYS 8 2HE LYS 8 -14.042 -8.832 -1.151 71 HE3 LYS 8 3HE LYS 8 -12.749 -8.367 -2.270 72 HZ1 LYS 8 1HZ LYS 8 -12.853 -10.809 -0.591 73 HZ2 LYS 8 2HZ LYS 8 -12.809 -10.722 -2.249 74 HZ3 LYS 8 3HZ LYS 8 -11.496 -10.354 -1.332 75 H ASP 9 H ASP 9 -11.638 -3.045 0.471 76 HA ASP 9 HA ASP 9 -12.455 -2.483 -2.148 77 HB2 ASP 9 2HB ASP 9 -11.724 -0.704 0.217 78 HB3 ASP 9 3HB ASP 9 -12.582 -0.173 -1.208 79 H ALA 10 H ALA 10 -9.325 -1.863 -0.649 80 HA ALA 10 HA ALA 10 -8.275 -0.315 -2.899 81 HB1 ALA 10 1HB ALA 10 -7.614 0.030 -0.532 82 HB2 ALA 10 2HB ALA 10 -6.947 -1.613 -0.474 83 HB3 ALA 10 3HB ALA 10 -6.222 -0.396 -1.545 84 H GLY 11 H GLY 11 -8.741 -3.690 -2.407 85 HA2 GLY 11 2HA GLY 11 -7.968 -5.571 -3.466 86 HA3 GLY 11 3HA GLY 11 -7.223 -4.540 -4.695 87 H TYR 12 H TYR 12 -6.427 -4.420 -1.213 88 HA TYR 12 HA TYR 12 -3.631 -4.277 -1.843 89 HB2 TYR 12 2HB TYR 12 -4.908 -3.071 -0.013 90 HB3 TYR 12 3HB TYR 12 -4.926 -4.581 0.886 91 HD1 TYR 12 HD1 TYR 12 -2.756 -1.910 -0.549 92 HD2 TYR 12 HD2 TYR 12 -2.943 -5.302 2.117 93 HE1 TYR 12 HE1 TYR 12 -0.581 -1.260 0.430 94 HE2 TYR 12 HE2 TYR 12 -0.743 -4.652 3.080 95 HH TYR 12 HH TYR 12 1.008 -1.725 1.994 96 H GLN 13 H GLN 13 -1.892 -5.589 -1.179 97 HA GLN 13 HA GLN 13 -2.525 -8.454 -0.704 98 HB2 GLN 13 2HB GLN 13 -0.726 -8.937 -2.480 99 HB3 GLN 13 3HB GLN 13 -2.352 -8.550 -2.964 100 HG2 GLN 13 2HG GLN 13 -1.573 -6.164 -3.471 101 HG3 GLN 13 3HG GLN 13 0.066 -6.709 -3.092 102 HE21 GLN 13 1HE2 GLN 13 1.213 -7.130 -4.717 103 HE22 GLN 13 2HE2 GLN 13 0.649 -7.749 -6.251 104 H GLU 14 H GLU 14 -0.857 -9.833 -0.086 105 HA GLU 14 HA GLU 14 0.663 -8.710 2.062 106 HB2 GLU 14 2HB GLU 14 1.301 -10.889 2.600 107 HB3 GLU 14 3HB GLU 14 -0.364 -10.975 2.034 108 HG2 GLU 14 2HG GLU 14 0.440 -11.810 -0.180 109 HG3 GLU 14 3HG GLU 14 2.103 -11.752 0.421 110 H SER 15 H SER 15 1.498 -8.956 -1.241 111 HA SER 15 HA SER 15 4.095 -7.835 -0.706 112 HB2 SER 15 2HB SER 15 5.009 -9.728 -2.486 113 HB3 SER 15 3HB SER 15 5.334 -9.669 -0.760 114 HG SER 15 HG SER 15 4.265 -11.382 -0.479 115 HA PRO 16 HA PRO 16 3.136 -5.595 -4.245 116 HB2 PRO 16 2HB PRO 16 5.593 -4.848 -5.258 117 HB3 PRO 16 3HB PRO 16 4.921 -4.261 -3.699 118 HG2 PRO 16 2HG PRO 16 6.872 -6.536 -4.192 119 HG3 PRO 16 3HG PRO 16 7.011 -5.193 -3.005 120 HD2 PRO 16 2HD PRO 16 6.079 -7.610 -2.261 121 HD3 PRO 16 3HD PRO 16 5.311 -6.120 -1.637 122 H ASN 17 H ASN 17 3.205 -5.281 -6.616 123 HA ASN 17 HA ASN 17 3.420 -7.817 -8.056 124 HB2 ASN 17 2HB ASN 17 2.087 -6.921 -9.669 125 HB3 ASN 17 3HB ASN 17 1.395 -6.350 -8.161 126 HD21 ASN 17 1HD2 ASN 17 0.899 -5.215 -10.675 127 HD22 ASN 17 2HD2 ASN 17 1.564 -3.601 -10.603 128 H GLY 18 H GLY 18 5.822 -7.102 -7.257 129 HA2 GLY 18 2HA GLY 18 8.006 -7.035 -8.068 130 HA3 GLY 18 3HA GLY 18 7.389 -6.776 -9.695 131 H ALA 19 H ALA 19 7.063 -4.655 -10.454 132 HA ALA 19 HA ALA 19 9.039 -2.844 -9.540 133 HB1 ALA 19 1HB ALA 19 8.425 -3.107 -11.882 134 HB2 ALA 19 2HB ALA 19 6.796 -2.465 -11.566 135 HB3 ALA 19 3HB ALA 19 8.219 -1.421 -11.391 136 H LYS 20 H LYS 20 5.510 -2.780 -8.881 137 HA LYS 20 HA LYS 20 5.820 -0.068 -7.659 138 HB2 LYS 20 2HB LYS 20 3.215 -1.504 -8.200 139 HB3 LYS 20 3HB LYS 20 3.471 0.174 -7.743 140 HG2 LYS 20 2HG LYS 20 3.145 0.543 -9.955 141 HG3 LYS 20 3HG LYS 20 4.876 0.194 -10.057 142 HD2 LYS 20 2HD LYS 20 4.269 -2.223 -10.537 143 HD3 LYS 20 3HD LYS 20 2.564 -1.749 -10.506 144 HE2 LYS 20 2HE LYS 20 2.983 -0.185 -12.395 145 HE3 LYS 20 3HE LYS 20 4.679 -0.691 -12.433 146 HZ1 LYS 20 1HZ LYS 20 2.328 -2.440 -12.899 147 HZ2 LYS 20 2HZ LYS 20 3.373 -1.922 -14.054 148 HZ3 LYS 20 3HZ LYS 20 3.884 -2.980 -12.887 149 H ARG 21 H ARG 21 5.672 0.258 -5.544 150 HA ARG 21 HA ARG 21 4.740 -1.847 -3.659 151 HB2 ARG 21 2HB ARG 21 6.873 -2.636 -3.595 152 HB3 ARG 21 3HB ARG 21 7.578 -1.181 -4.276 153 HG2 ARG 21 2HG ARG 21 7.553 -0.054 -2.136 154 HG3 ARG 21 3HG ARG 21 6.713 -1.408 -1.366 155 HD2 ARG 21 2HD ARG 21 8.742 -2.831 -2.032 156 HD3 ARG 21 3HD ARG 21 9.539 -1.319 -2.498 157 HE ARG 21 HE ARG 21 8.419 -1.853 0.248 158 HH11 ARG 21 1HH1 ARG 21 11.087 -0.323 -1.578 159 HH12 ARG 21 2HH1 ARG 21 11.757 0.242 -0.054 160 HH21 ARG 21 1HH2 ARG 21 9.635 -1.474 1.949 161 HH22 ARG 21 2HH2 ARG 21 11.076 -0.500 1.838 162 H CYS 22 H CYS 22 4.264 -1.083 -1.577 163 HA CYS 22 HA CYS 22 3.366 1.597 -1.294 164 HB2 CYS 22 2HB CYS 22 3.943 -0.627 0.687 165 HB3 CYS 22 3HB CYS 22 3.312 0.953 1.168 166 H GLY 23 H GLY 23 6.422 0.228 0.195 167 HA2 GLY 23 2HA GLY 23 7.435 2.658 1.160 168 HA3 GLY 23 3HA GLY 23 8.418 1.292 0.647 169 H THR 24 H THR 24 7.074 1.935 -2.209 170 HA THR 24 HA THR 24 8.753 4.286 -2.957 171 HB THR 24 HB THR 24 9.047 3.170 -5.191 172 HG1 THR 24 HG1 THR 24 7.666 1.568 -5.311 173 HG21 THR 24 1HG2 THR 24 10.209 1.634 -2.837 174 HG22 THR 24 2HG2 THR 24 10.837 1.697 -4.498 175 HG23 THR 24 3HG2 THR 24 10.849 3.159 -3.494 176 H CYS 25 H CYS 25 5.772 3.771 -2.256 177 HA CYS 25 HA CYS 25 4.328 4.528 -4.659 178 HB2 CYS 25 2HB CYS 25 3.197 3.230 -2.991 179 HB3 CYS 25 3HB CYS 25 3.609 4.373 -1.713 180 H ARG 26 H ARG 26 2.943 6.427 -4.642 181 HA ARG 26 HA ARG 26 4.622 8.821 -4.599 182 HB2 ARG 26 2HB ARG 26 2.786 7.954 -6.325 183 HB3 ARG 26 3HB ARG 26 1.661 8.840 -5.304 184 HG2 ARG 26 2HG ARG 26 4.205 10.155 -6.301 185 HG3 ARG 26 3HG ARG 26 2.890 9.901 -7.434 186 HD2 ARG 26 2HD ARG 26 1.460 11.407 -6.419 187 HD3 ARG 26 3HD ARG 26 2.239 11.308 -4.849 188 HE ARG 26 HE ARG 26 3.065 12.991 -7.128 189 HH11 ARG 26 1HH1 ARG 26 4.096 11.724 -4.004 190 HH12 ARG 26 2HH1 ARG 26 5.487 12.782 -3.966 191 HH21 ARG 26 1HH2 ARG 26 4.690 14.365 -6.923 192 HH22 ARG 26 2HH2 ARG 26 5.638 14.433 -5.423 193 H GLN 27 H GLN 27 2.408 7.398 -2.378 194 HA GLN 27 HA GLN 27 2.286 9.919 -0.782 195 HB2 GLN 27 2HB GLN 27 -0.105 9.706 -0.544 196 HB3 GLN 27 3HB GLN 27 0.377 9.804 -2.224 197 HG2 GLN 27 2HG GLN 27 0.210 7.169 -2.188 198 HG3 GLN 27 3HG GLN 27 -0.752 7.413 -0.738 199 HE21 GLN 27 1HE2 GLN 27 -1.809 6.194 -3.086 200 HE22 GLN 27 2HE2 GLN 27 -2.923 7.325 -3.861 201 H PHE 28 H PHE 28 3.440 6.907 -0.408 202 HA PHE 28 HA PHE 28 2.317 6.119 2.142 203 HB2 PHE 28 2HB PHE 28 3.363 4.580 0.529 204 HB3 PHE 28 3HB PHE 28 4.907 5.377 0.743 205 HD1 PHE 28 HD1 PHE 28 2.342 3.245 2.408 206 HD2 PHE 28 HD2 PHE 28 6.353 4.811 2.591 207 HE1 PHE 28 HE1 PHE 28 2.901 1.607 4.190 208 HE2 PHE 28 HE2 PHE 28 6.905 3.183 4.388 209 HZ PHE 28 HZ PHE 28 5.174 1.585 5.191 210 H ARG 29 H ARG 29 3.102 6.332 4.209 211 HA ARG 29 HA ARG 29 5.564 7.970 4.724 212 HB2 ARG 29 2HB ARG 29 2.872 8.110 6.092 213 HB3 ARG 29 3HB ARG 29 4.350 8.474 6.967 214 HG2 ARG 29 2HG ARG 29 3.409 10.515 6.245 215 HG3 ARG 29 3HG ARG 29 4.916 10.266 5.364 216 HD2 ARG 29 2HD ARG 29 3.758 9.772 3.332 217 HD3 ARG 29 3HD ARG 29 2.215 9.540 4.183 218 HE ARG 29 HE ARG 29 3.312 12.233 4.501 219 HH11 ARG 29 1HH1 ARG 29 1.509 10.275 2.145 220 HH12 ARG 29 2HH1 ARG 29 0.662 11.722 1.591 221 HH21 ARG 29 1HH2 ARG 29 1.939 13.902 3.773 222 HH22 ARG 29 2HH2 ARG 29 0.959 13.565 2.349 223 HA PRO 30 HA PRO 30 6.654 4.141 6.871 224 HB2 PRO 30 2HB PRO 30 8.944 5.873 7.798 225 HB3 PRO 30 3HB PRO 30 8.979 4.194 7.179 226 HG2 PRO 30 2HG PRO 30 9.712 6.245 5.574 227 HG3 PRO 30 3HG PRO 30 8.660 4.943 4.926 228 HD2 PRO 30 2HD PRO 30 7.840 7.673 5.971 229 HD3 PRO 30 3HD PRO 30 7.351 6.846 4.457 230 HA PRO 31 HA PRO 31 7.498 2.810 8.602 231 HB2 PRO 31 2HB PRO 31 6.542 1.222 10.578 232 HB3 PRO 31 3HB PRO 31 7.865 2.389 10.851 233 HG2 PRO 31 2HG PRO 31 4.916 2.761 11.453 234 HG3 PRO 31 3HG PRO 31 6.311 3.072 12.529 235 HD2 PRO 31 2HD PRO 31 5.125 5.061 11.060 236 HD3 PRO 31 3HD PRO 31 6.882 5.039 11.382 237 H SER 32 H SER 32 4.069 3.461 9.253 238 HA SER 32 HA SER 32 3.240 1.097 7.653 239 HB2 SER 32 2HB SER 32 1.864 0.329 9.539 240 HB3 SER 32 3HB SER 32 3.568 0.420 9.979 241 HG SER 32 HG SER 32 2.404 1.309 11.615 242 H SER 33 H SER 33 2.872 4.022 7.033 243 HA SER 33 HA SER 33 -0.130 4.102 7.081 244 HB2 SER 33 2HB SER 33 1.875 6.360 7.198 245 HB3 SER 33 3HB SER 33 0.124 6.553 6.994 246 HG SER 33 HG SER 33 0.624 6.753 9.112 247 H CYS 34 H CYS 34 -0.848 3.470 5.177 248 HA CYS 34 HA CYS 34 -0.129 5.069 2.761 249 HB2 CYS 34 2HB CYS 34 -0.862 2.750 2.311 250 HB3 CYS 34 3HB CYS 34 -2.363 3.033 3.236 251 H ILE 35 H ILE 35 -1.462 6.801 2.166 252 HA ILE 35 HA ILE 35 -3.446 7.715 4.201 253 HB ILE 35 HB ILE 35 -3.258 9.946 3.402 254 HG12 ILE 35 2HG1 ILE 35 -1.258 10.558 1.944 255 HG13 ILE 35 3HG1 ILE 35 -1.239 8.886 1.386 256 HG21 ILE 35 1HG2 ILE 35 -0.502 8.777 3.958 257 HG22 ILE 35 2HG2 ILE 35 -1.072 10.422 4.302 258 HG23 ILE 35 3HG2 ILE 35 -1.762 9.055 5.181 259 HD11 ILE 35 1HD1 ILE 35 -3.609 10.802 1.137 260 HD12 ILE 35 2HD1 ILE 35 -2.402 10.517 -0.130 261 HD13 ILE 35 3HD1 ILE 35 -3.461 9.200 0.381 262 H THR 36 H THR 36 -3.581 5.894 1.527 263 HA THR 36 HA THR 36 -6.393 6.823 0.980 264 HB THR 36 HB THR 36 -6.380 5.682 -1.130 265 HG1 THR 36 HG1 THR 36 -3.686 5.050 -0.494 266 HG21 THR 36 1HG2 THR 36 -5.034 7.181 -2.423 267 HG22 THR 36 2HG2 THR 36 -5.686 8.077 -1.039 268 HG23 THR 36 3HG2 THR 36 -3.988 7.541 -1.035 269 H VAL 37 H VAL 37 -4.331 4.045 1.780 270 HA VAL 37 HA VAL 37 -6.756 2.362 2.139 271 HB VAL 37 HB VAL 37 -3.851 1.490 2.057 272 HG11 VAL 37 1HG1 VAL 37 -5.285 -0.158 3.140 273 HG12 VAL 37 2HG1 VAL 37 -6.480 -0.049 1.823 274 HG13 VAL 37 3HG1 VAL 37 -4.862 -0.736 1.536 275 HG21 VAL 37 1HG2 VAL 37 -4.305 2.406 -0.112 276 HG22 VAL 37 2HG2 VAL 37 -4.461 0.665 -0.249 277 HG23 VAL 37 3HG2 VAL 37 -5.926 1.680 -0.160 278 H GLU 38 H GLU 38 -7.175 1.275 4.067 279 HA GLU 38 HA GLU 38 -6.668 2.661 6.427 280 HB2 GLU 38 2HB GLU 38 -7.613 -0.136 5.900 281 HB3 GLU 38 3HB GLU 38 -7.347 0.372 7.549 282 HG2 GLU 38 2HG GLU 38 -9.181 1.881 5.642 283 HG3 GLU 38 3HG GLU 38 -9.706 0.635 6.782 284 H SER 39 H SER 39 -5.610 2.357 8.241 285 HA SER 39 HA SER 39 -2.983 0.955 8.077 286 HB2 SER 39 2HB SER 39 -1.910 2.817 9.048 287 HB3 SER 39 3HB SER 39 -3.024 3.505 7.865 288 HG SER 39 HG SER 39 -3.651 4.645 9.529 289 HA PRO 40 HA PRO 40 -1.136 1.057 9.906 290 HB2 PRO 40 2HB PRO 40 -0.658 -1.503 11.341 291 HB3 PRO 40 3HB PRO 40 0.234 0.042 11.440 292 HG2 PRO 40 2HG PRO 40 -1.441 -0.706 13.438 293 HG3 PRO 40 3HG PRO 40 -1.427 0.998 12.866 294 HD2 PRO 40 2HD PRO 40 -3.325 -1.233 12.043 295 HD3 PRO 40 3HD PRO 40 -3.719 0.413 12.611 296 H ILE 41 H ILE 41 0.230 0.151 8.387 297 HA ILE 41 HA ILE 41 -0.687 -2.212 6.856 298 HB ILE 41 HB ILE 41 -1.447 0.330 6.198 299 HG12 ILE 41 2HG1 ILE 41 -0.920 -2.017 4.371 300 HG13 ILE 41 3HG1 ILE 41 -2.343 -1.704 5.343 301 HG21 ILE 41 1HG2 ILE 41 0.924 -0.103 4.352 302 HG22 ILE 41 2HG2 ILE 41 -0.195 1.261 4.403 303 HG23 ILE 41 3HG2 ILE 41 0.943 1.019 5.731 304 HD11 ILE 41 1HD1 ILE 41 -2.861 -1.144 3.067 305 HD12 ILE 41 2HD1 ILE 41 -2.788 0.368 3.997 306 HD13 ILE 41 3HD1 ILE 41 -1.445 -0.093 2.925 307 H SER 42 H SER 42 0.882 -2.808 5.053 308 HA SER 42 HA SER 42 3.534 -3.093 6.277 309 HB2 SER 42 2HB SER 42 2.269 -5.006 5.284 310 HB3 SER 42 3HB SER 42 2.451 -4.236 3.695 311 HG SER 42 HG SER 42 4.119 -5.566 3.823 312 H GLU 43 H GLU 43 5.552 -2.685 5.180 313 HA GLU 43 HA GLU 43 5.524 -0.374 3.369 314 HB2 GLU 43 2HB GLU 43 7.874 -0.281 3.741 315 HB3 GLU 43 3HB GLU 43 7.010 -0.403 5.270 316 HG2 GLU 43 2HG GLU 43 7.619 -2.807 5.420 317 HG3 GLU 43 3HG GLU 43 8.527 -2.632 3.919 318 H ASN 44 H ASN 44 5.277 -3.662 2.821 319 HA ASN 44 HA ASN 44 6.679 -3.517 0.207 320 HB2 ASN 44 2HB ASN 44 6.556 -5.887 0.060 321 HB3 ASN 44 3HB ASN 44 7.229 -5.428 1.595 322 HD21 ASN 44 1HD2 ASN 44 6.919 -7.707 1.912 323 HD22 ASN 44 2HD2 ASN 44 5.429 -8.089 2.743 324 H GLY 45 H GLY 45 3.486 -4.906 1.041 325 HA2 GLY 45 2HA GLY 45 1.374 -4.421 0.377 326 HA3 GLY 45 3HA GLY 45 1.995 -2.785 0.263 327 H TRP 46 H TRP 46 1.642 -1.795 -1.490 328 HA TRP 46 HA TRP 46 0.915 -1.192 -3.516 329 HB2 TRP 46 2HB TRP 46 2.411 -3.024 -4.542 330 HB3 TRP 46 3HB TRP 46 0.974 -4.006 -4.588 331 HD1 TRP 46 HD1 TRP 46 1.691 -0.347 -5.685 332 HE1 TRP 46 HE1 TRP 46 0.592 0.052 -7.981 333 HE3 TRP 46 HE3 TRP 46 -0.288 -5.005 -6.480 334 HZ2 TRP 46 HZ2 TRP 46 -1.067 -1.382 -9.809 335 HZ3 TRP 46 HZ3 TRP 46 -1.732 -5.415 -8.470 336 HH2 TRP 46 HH2 TRP 46 -2.143 -3.608 -10.116 337 H CYS 47 H CYS 47 -1.070 -0.452 -3.357 338 HA CYS 47 HA CYS 47 -3.458 -2.245 -3.374 339 HB2 CYS 47 2HB CYS 47 -4.693 -0.154 -3.194 340 HB3 CYS 47 3HB CYS 47 -3.395 -0.119 -1.984 341 H ARG 48 H ARG 48 -5.078 -1.235 -5.311 342 HA ARG 48 HA ARG 48 -3.502 -1.638 -7.772 343 HB2 ARG 48 2HB ARG 48 -5.956 -2.490 -7.150 344 HB3 ARG 48 3HB ARG 48 -6.427 -1.028 -8.009 345 HG2 ARG 48 2HG ARG 48 -4.544 -3.206 -9.050 346 HG3 ARG 48 3HG ARG 48 -6.254 -3.136 -9.416 347 HD2 ARG 48 2HD ARG 48 -4.296 -0.928 -10.195 348 HD3 ARG 48 3HD ARG 48 -4.675 -2.295 -11.215 349 HE ARG 48 HE ARG 48 -6.616 -0.174 -10.370 350 HH11 ARG 48 1HH1 ARG 48 -5.847 -2.724 -12.772 351 HH12 ARG 48 2HH1 ARG 48 -7.249 -2.227 -13.704 352 HH21 ARG 48 1HH2 ARG 48 -8.284 0.262 -11.703 353 HH22 ARG 48 2HH2 ARG 48 -8.490 -0.647 -13.194 354 H LEU 49 H LEU 49 -2.337 0.331 -6.882 355 HA LEU 49 HA LEU 49 -3.274 2.984 -7.538 356 HB2 LEU 49 2HB LEU 49 -1.692 2.490 -5.712 357 HB3 LEU 49 3HB LEU 49 -0.547 1.817 -6.857 358 HG LEU 49 HG LEU 49 -0.284 4.113 -7.876 359 HD11 LEU 49 1HD1 LEU 49 -1.954 4.955 -5.464 360 HD12 LEU 49 2HD1 LEU 49 -1.032 6.055 -6.510 361 HD13 LEU 49 3HD1 LEU 49 -2.403 5.160 -7.171 362 HD21 LEU 49 1HD2 LEU 49 1.294 3.240 -6.209 363 HD22 LEU 49 2HD2 LEU 49 1.074 4.989 -6.025 364 HD23 LEU 49 3HD2 LEU 49 0.274 3.870 -4.903 365 H TYR 50 H TYR 50 -2.939 4.220 -9.286 366 HA TYR 50 HA TYR 50 -0.718 3.532 -11.155 367 HB2 TYR 50 2HB TYR 50 -3.352 4.856 -11.872 368 HB3 TYR 50 3HB TYR 50 -1.946 4.795 -12.920 369 HD1 TYR 50 HD1 TYR 50 -0.930 2.334 -13.313 370 HD2 TYR 50 HD2 TYR 50 -5.001 3.200 -12.205 371 HE1 TYR 50 HE1 TYR 50 -1.643 0.156 -14.268 372 HE2 TYR 50 HE2 TYR 50 -5.723 1.046 -13.210 373 HH TYR 50 HH TYR 50 -3.415 -1.245 -14.718 374 H ALA 51 H ALA 51 0.794 5.093 -11.397 375 HA ALA 51 HA ALA 51 0.357 7.873 -10.710 376 HB1 ALA 51 1HB ALA 51 0.687 6.965 -8.435 377 HB2 ALA 51 2HB ALA 51 2.204 6.195 -8.947 378 HB3 ALA 51 3HB ALA 51 2.070 7.967 -8.915 379 H GLY 52 H GLY 52 2.040 9.230 -11.507 380 HA2 GLY 52 2HA GLY 52 3.809 8.128 -13.486 381 HA3 GLY 52 3HA GLY 52 3.686 9.813 -13.012 382 H LYS 53 H LYS 53 4.149 9.407 -10.231 383 HA LYS 53 HA LYS 53 7.089 8.847 -10.151 384 HB2 LYS 53 2HB LYS 53 5.221 10.494 -8.431 385 HB3 LYS 53 3HB LYS 53 6.787 9.963 -7.822 386 HG2 LYS 53 2HG LYS 53 6.981 12.200 -8.669 387 HG3 LYS 53 3HG LYS 53 7.957 11.094 -9.641 388 HD2 LYS 53 2HD LYS 53 6.274 11.122 -11.425 389 HD3 LYS 53 3HD LYS 53 5.204 12.140 -10.427 390 HE2 LYS 53 2HE LYS 53 7.011 13.901 -10.432 391 HE3 LYS 53 3HE LYS 53 7.958 12.867 -11.512 392 HZ1 LYS 53 1HZ LYS 53 5.997 12.955 -13.053 393 HZ2 LYS 53 2HZ LYS 53 5.355 14.146 -12.093 394 HZ3 LYS 53 3HZ LYS 53 6.779 14.377 -12.866 395 H ALA 54 H ALA 54 6.883 6.650 -10.295 396 HA ALA 54 HA ALA 54 6.287 5.228 -7.728 397 HB1 ALA 54 1HB ALA 54 5.371 4.376 -10.508 398 HB2 ALA 54 2HB ALA 54 5.123 3.462 -9.003 399 HB3 ALA 54 3HB ALA 54 4.335 5.031 -9.226 Start of MODEL 9 1 H1 VAL 1 1H VAL 1 -8.574 9.469 12.321 2 H2 VAL 1 2H VAL 1 -9.422 8.455 13.285 3 H3 VAL 1 3H VAL 1 -8.440 9.566 13.964 4 HA VAL 1 HA VAL 1 -10.608 10.337 14.265 5 HB VAL 1 HB VAL 1 -9.240 11.874 12.043 6 HG11 VAL 1 1HG1 VAL 1 -11.567 12.592 12.025 7 HG12 VAL 1 2HG1 VAL 1 -11.581 12.705 13.802 8 HG13 VAL 1 3HG1 VAL 1 -10.595 13.817 12.833 9 HG21 VAL 1 1HG2 VAL 1 -9.376 12.320 15.056 10 HG22 VAL 1 2HG2 VAL 1 -7.974 11.664 14.188 11 HG23 VAL 1 3HG2 VAL 1 -8.512 13.317 13.875 12 H THR 2 H THR 2 -10.262 9.846 10.656 13 HA THR 2 HA THR 2 -13.140 9.026 10.687 14 HB THR 2 HB THR 2 -12.836 11.248 9.750 15 HG1 THR 2 HG1 THR 2 -14.344 10.765 8.383 16 HG21 THR 2 1HG2 THR 2 -11.858 11.537 7.505 17 HG22 THR 2 2HG2 THR 2 -10.639 11.157 8.724 18 HG23 THR 2 3HG2 THR 2 -11.181 9.899 7.592 19 H LYS 3 H LYS 3 -13.849 7.550 9.108 20 HA LYS 3 HA LYS 3 -12.177 5.238 9.148 21 HB2 LYS 3 2HB LYS 3 -14.927 5.719 8.862 22 HB3 LYS 3 3HB LYS 3 -14.483 5.081 7.295 23 HG2 LYS 3 2HG LYS 3 -15.077 3.200 8.520 24 HG3 LYS 3 3HG LYS 3 -13.311 3.152 8.585 25 HD2 LYS 3 2HD LYS 3 -13.373 4.194 10.856 26 HD3 LYS 3 3HD LYS 3 -15.131 4.301 10.765 27 HE2 LYS 3 2HE LYS 3 -13.457 1.760 10.915 28 HE3 LYS 3 3HE LYS 3 -14.500 2.440 12.168 29 HZ1 LYS 3 1HZ LYS 3 -15.296 1.135 9.654 30 HZ2 LYS 3 2HZ LYS 3 -15.818 0.811 11.180 31 HZ3 LYS 3 3HZ LYS 3 -16.338 2.165 10.402 32 H LYS 4 H LYS 4 -10.797 4.377 7.805 33 HA LYS 4 HA LYS 4 -10.023 5.743 5.343 34 HB2 LYS 4 2HB LYS 4 -8.829 3.255 6.648 35 HB3 LYS 4 3HB LYS 4 -8.109 4.248 5.370 36 HG2 LYS 4 2HG LYS 4 -8.302 6.242 6.912 37 HG3 LYS 4 3HG LYS 4 -8.798 5.148 8.194 38 HD2 LYS 4 2HD LYS 4 -6.521 5.578 8.568 39 HD3 LYS 4 3HD LYS 4 -6.596 3.928 7.927 40 HE2 LYS 4 2HE LYS 4 -5.976 4.748 5.690 41 HE3 LYS 4 3HE LYS 4 -6.022 6.425 6.260 42 HZ1 LYS 4 1HZ LYS 4 -4.200 4.402 7.426 43 HZ2 LYS 4 2HZ LYS 4 -3.749 5.376 6.211 44 HZ3 LYS 4 3HZ LYS 4 -4.166 6.020 7.672 45 H ALA 5 H ALA 5 -9.415 4.537 3.442 46 HA ALA 5 HA ALA 5 -11.627 2.944 2.347 47 HB1 ALA 5 1HB ALA 5 -10.140 2.765 0.361 48 HB2 ALA 5 2HB ALA 5 -10.354 4.445 0.895 49 HB3 ALA 5 3HB ALA 5 -8.852 3.573 1.275 50 H SER 6 H SER 6 -11.791 0.694 2.267 51 HA SER 6 HA SER 6 -10.137 -0.772 4.132 52 HB2 SER 6 2HB SER 6 -11.563 -2.646 3.620 53 HB3 SER 6 3HB SER 6 -12.565 -1.197 3.773 54 HG SER 6 HG SER 6 -12.816 -1.106 1.607 55 H HIS 7 H HIS 7 -9.104 -2.906 3.618 56 HA HIS 7 HA HIS 7 -7.178 -3.004 1.517 57 HB2 HIS 7 2HB HIS 7 -8.744 -5.255 2.858 58 HB3 HIS 7 3HB HIS 7 -7.422 -5.529 1.741 59 HD2 HIS 7 HD2 HIS 7 -6.043 -2.778 3.668 60 HE1 HIS 7 HE1 HIS 7 -5.142 -6.181 6.054 61 HE2 HIS 7 HE2 HIS 7 -4.645 -3.721 5.690 62 H LYS 8 H LYS 8 -10.621 -3.744 1.396 63 HA LYS 8 HA LYS 8 -10.631 -5.095 -1.174 64 HB2 LYS 8 2HB LYS 8 -12.931 -3.735 0.285 65 HB3 LYS 8 3HB LYS 8 -13.037 -4.936 -0.957 66 HG2 LYS 8 2HG LYS 8 -11.852 -5.435 1.814 67 HG3 LYS 8 3HG LYS 8 -13.533 -5.681 1.391 68 HD2 LYS 8 2HD LYS 8 -12.926 -7.427 -0.248 69 HD3 LYS 8 3HD LYS 8 -11.208 -7.116 0.056 70 HE2 LYS 8 2HE LYS 8 -11.720 -9.031 1.345 71 HE3 LYS 8 3HE LYS 8 -11.575 -7.694 2.480 72 HZ1 LYS 8 1HZ LYS 8 -13.473 -8.943 3.074 73 HZ2 LYS 8 2HZ LYS 8 -14.115 -7.600 2.372 74 HZ3 LYS 8 3HZ LYS 8 -14.051 -9.032 1.559 75 H ASP 9 H ASP 9 -11.772 -1.911 -0.123 76 HA ASP 9 HA ASP 9 -12.307 -0.621 -2.559 77 HB2 ASP 9 2HB ASP 9 -11.143 0.323 0.090 78 HB3 ASP 9 3HB ASP 9 -11.598 1.394 -1.179 79 H ALA 10 H ALA 10 -9.190 -1.188 -0.952 80 HA ALA 10 HA ALA 10 -7.669 0.384 -2.888 81 HB1 ALA 10 1HB ALA 10 -6.804 -1.313 -0.521 82 HB2 ALA 10 2HB ALA 10 -5.783 -0.171 -1.423 83 HB3 ALA 10 3HB ALA 10 -7.161 0.429 -0.483 84 H GLY 11 H GLY 11 -8.896 -2.771 -3.049 85 HA2 GLY 11 2HA GLY 11 -8.406 -4.625 -4.293 86 HA3 GLY 11 3HA GLY 11 -7.442 -3.583 -5.345 87 H TYR 12 H TYR 12 -6.815 -4.210 -1.917 88 HA TYR 12 HA TYR 12 -4.047 -4.143 -2.304 89 HB2 TYR 12 2HB TYR 12 -5.152 -3.402 -0.302 90 HB3 TYR 12 3HB TYR 12 -5.807 -5.003 0.001 91 HD1 TYR 12 HD1 TYR 12 -2.485 -3.220 -0.280 92 HD2 TYR 12 HD2 TYR 12 -4.761 -6.427 1.501 93 HE1 TYR 12 HE1 TYR 12 -0.601 -3.716 1.248 94 HE2 TYR 12 HE2 TYR 12 -2.862 -6.923 3.033 95 HH TYR 12 HH TYR 12 -0.775 -6.342 3.693 96 H GLN 13 H GLN 13 -2.361 -5.511 -2.101 97 HA GLN 13 HA GLN 13 -2.799 -8.344 -1.410 98 HB2 GLN 13 2HB GLN 13 -1.045 -9.062 -3.025 99 HB3 GLN 13 3HB GLN 13 -2.534 -8.524 -3.785 100 HG2 GLN 13 2HG GLN 13 -1.483 -6.331 -4.336 101 HG3 GLN 13 3HG GLN 13 0.017 -6.864 -3.568 102 HE21 GLN 13 1HE2 GLN 13 1.428 -6.881 -5.147 103 HE22 GLN 13 2HE2 GLN 13 1.220 -7.913 -6.551 104 H GLU 14 H GLU 14 -1.253 -9.172 -0.035 105 HA GLU 14 HA GLU 14 0.409 -7.252 1.311 106 HB2 GLU 14 2HB GLU 14 0.959 -8.968 2.827 107 HB3 GLU 14 3HB GLU 14 -0.743 -9.137 2.394 108 HG2 GLU 14 2HG GLU 14 -0.276 -11.064 0.996 109 HG3 GLU 14 3HG GLU 14 1.469 -10.830 1.166 110 H SER 15 H SER 15 1.065 -8.705 -1.569 111 HA SER 15 HA SER 15 3.992 -8.774 -1.116 112 HB2 SER 15 2HB SER 15 4.039 -10.014 -3.357 113 HB3 SER 15 3HB SER 15 3.513 -10.842 -1.916 114 HG SER 15 HG SER 15 2.162 -10.190 -4.237 115 HA PRO 16 HA PRO 16 4.864 -5.429 -3.948 116 HB2 PRO 16 2HB PRO 16 6.987 -7.224 -5.085 117 HB3 PRO 16 3HB PRO 16 7.143 -5.560 -4.453 118 HG2 PRO 16 2HG PRO 16 8.025 -7.721 -3.038 119 HG3 PRO 16 3HG PRO 16 7.243 -6.329 -2.220 120 HD2 PRO 16 2HD PRO 16 6.012 -9.008 -2.945 121 HD3 PRO 16 3HD PRO 16 5.861 -8.047 -1.455 122 H ASN 17 H ASN 17 4.426 -4.931 -6.123 123 HA ASN 17 HA ASN 17 3.644 -7.177 -7.959 124 HB2 ASN 17 2HB ASN 17 1.781 -5.704 -7.434 125 HB3 ASN 17 3HB ASN 17 2.715 -4.289 -7.799 126 HD21 ASN 17 1HD2 ASN 17 0.414 -4.337 -9.142 127 HD22 ASN 17 2HD2 ASN 17 0.656 -4.901 -10.794 128 H GLY 18 H GLY 18 5.724 -7.669 -8.637 129 HA2 GLY 18 2HA GLY 18 7.571 -7.500 -10.032 130 HA3 GLY 18 3HA GLY 18 6.899 -6.007 -10.701 131 H ALA 19 H ALA 19 7.741 -4.065 -10.042 132 HA ALA 19 HA ALA 19 9.524 -4.002 -7.640 133 HB1 ALA 19 1HB ALA 19 10.775 -3.738 -9.734 134 HB2 ALA 19 2HB ALA 19 9.747 -2.361 -10.181 135 HB3 ALA 19 3HB ALA 19 10.802 -2.253 -8.760 136 H LYS 20 H LYS 20 6.446 -3.102 -8.625 137 HA LYS 20 HA LYS 20 6.400 -0.475 -7.275 138 HB2 LYS 20 2HB LYS 20 4.159 -2.210 -8.370 139 HB3 LYS 20 3HB LYS 20 4.021 -0.540 -7.847 140 HG2 LYS 20 2HG LYS 20 4.701 0.274 -9.836 141 HG3 LYS 20 3HG LYS 20 6.092 -0.801 -9.939 142 HD2 LYS 20 2HD LYS 20 4.657 -2.641 -10.726 143 HD3 LYS 20 3HD LYS 20 3.226 -1.620 -10.545 144 HE2 LYS 20 2HE LYS 20 4.290 -0.023 -12.242 145 HE3 LYS 20 3HE LYS 20 5.569 -1.236 -12.457 146 HZ1 LYS 20 1HZ LYS 20 2.690 -1.529 -13.115 147 HZ2 LYS 20 2HZ LYS 20 4.001 -1.708 -14.125 148 HZ3 LYS 20 3HZ LYS 20 3.682 -2.817 -12.987 149 H ARG 21 H ARG 21 6.193 -0.324 -5.131 150 HA ARG 21 HA ARG 21 4.336 -2.014 -3.647 151 HB2 ARG 21 2HB ARG 21 5.784 -3.072 -2.172 152 HB3 ARG 21 3HB ARG 21 6.667 -3.221 -3.684 153 HG2 ARG 21 2HG ARG 21 7.978 -1.130 -2.996 154 HG3 ARG 21 3HG ARG 21 7.111 -1.215 -1.446 155 HD2 ARG 21 2HD ARG 21 8.037 -3.663 -1.335 156 HD3 ARG 21 3HD ARG 21 9.196 -3.113 -2.547 157 HE ARG 21 HE ARG 21 8.893 -2.176 0.262 158 HH11 ARG 21 1HH1 ARG 21 10.513 -1.400 -2.828 159 HH12 ARG 21 2HH1 ARG 21 11.509 -0.225 -1.987 160 HH21 ARG 21 1HH2 ARG 21 10.678 -0.993 1.173 161 HH22 ARG 21 2HH2 ARG 21 11.520 0.033 0.029 162 H CYS 22 H CYS 22 3.987 -1.186 -1.432 163 HA CYS 22 HA CYS 22 3.529 1.441 -1.004 164 HB2 CYS 22 2HB CYS 22 4.519 -0.677 0.934 165 HB3 CYS 22 3HB CYS 22 3.793 0.868 1.422 166 H GLY 23 H GLY 23 6.760 0.078 0.008 167 HA2 GLY 23 2HA GLY 23 7.855 2.431 0.993 168 HA3 GLY 23 3HA GLY 23 8.791 1.141 0.245 169 H THR 24 H THR 24 7.214 1.909 -2.395 170 HA THR 24 HA THR 24 8.196 4.554 -3.046 171 HB THR 24 HB THR 24 10.248 3.515 -3.394 172 HG1 THR 24 HG1 THR 24 10.374 3.713 -5.765 173 HG21 THR 24 1HG2 THR 24 9.505 1.179 -3.654 174 HG22 THR 24 2HG2 THR 24 8.958 1.547 -5.302 175 HG23 THR 24 3HG2 THR 24 10.680 1.678 -4.869 176 H CYS 25 H CYS 25 5.871 4.677 -3.047 177 HA CYS 25 HA CYS 25 4.498 3.395 -5.363 178 HB2 CYS 25 2HB CYS 25 2.578 3.191 -3.977 179 HB3 CYS 25 3HB CYS 25 3.946 2.592 -3.075 180 H ARG 26 H ARG 26 3.120 5.810 -3.407 181 HA ARG 26 HA ARG 26 3.389 8.164 -5.072 182 HB2 ARG 26 2HB ARG 26 1.064 8.426 -5.712 183 HB3 ARG 26 3HB ARG 26 1.716 6.956 -6.419 184 HG2 ARG 26 2HG ARG 26 0.597 5.623 -4.588 185 HG3 ARG 26 3HG ARG 26 -0.137 7.115 -3.993 186 HD2 ARG 26 2HD ARG 26 -0.562 5.881 -6.748 187 HD3 ARG 26 3HD ARG 26 -1.674 5.804 -5.376 188 HE ARG 26 HE ARG 26 -0.900 8.499 -6.406 189 HH11 ARG 26 1HH1 ARG 26 -3.446 6.077 -6.491 190 HH12 ARG 26 2HH1 ARG 26 -4.676 7.353 -6.512 191 HH21 ARG 26 1HH2 ARG 26 -2.391 9.855 -6.967 192 HH22 ARG 26 2HH2 ARG 26 -4.012 9.310 -7.392 193 H GLN 27 H GLN 27 2.341 6.604 -2.125 194 HA GLN 27 HA GLN 27 2.181 9.247 -0.807 195 HB2 GLN 27 2HB GLN 27 -0.012 7.145 -0.689 196 HB3 GLN 27 3HB GLN 27 0.185 8.368 0.558 197 HG2 GLN 27 2HG GLN 27 -0.382 8.984 -2.371 198 HG3 GLN 27 3HG GLN 27 -1.571 8.920 -1.085 199 HE21 GLN 27 1HE2 GLN 27 -1.943 11.234 -1.965 200 HE22 GLN 27 2HE2 GLN 27 -0.903 12.478 -1.254 201 H PHE 28 H PHE 28 1.529 5.924 0.346 202 HA PHE 28 HA PHE 28 2.172 4.729 2.063 203 HB2 PHE 28 2HB PHE 28 4.046 4.456 0.634 204 HB3 PHE 28 3HB PHE 28 4.870 5.843 1.336 205 HD1 PHE 28 HD1 PHE 28 3.146 2.950 3.095 206 HD2 PHE 28 HD2 PHE 28 6.854 4.945 2.168 207 HE1 PHE 28 HE1 PHE 28 4.338 1.480 4.691 208 HE2 PHE 28 HE2 PHE 28 8.044 3.467 3.770 209 HZ PHE 28 HZ PHE 28 6.783 1.744 5.047 210 H ARG 29 H ARG 29 3.528 7.962 2.809 211 HA ARG 29 HA ARG 29 3.998 8.923 4.827 212 HB2 ARG 29 2HB ARG 29 1.476 8.953 4.586 213 HB3 ARG 29 3HB ARG 29 1.406 7.633 5.734 214 HG2 ARG 29 2HG ARG 29 0.979 9.798 6.796 215 HG3 ARG 29 3HG ARG 29 2.416 9.049 7.474 216 HD2 ARG 29 2HD ARG 29 2.621 11.537 7.078 217 HD3 ARG 29 3HD ARG 29 3.877 10.561 6.333 218 HE ARG 29 HE ARG 29 3.191 11.194 4.232 219 HH11 ARG 29 1HH1 ARG 29 0.587 12.180 6.421 220 HH12 ARG 29 2HH1 ARG 29 -0.323 12.844 5.065 221 HH21 ARG 29 1HH2 ARG 29 1.914 12.175 2.639 222 HH22 ARG 29 2HH2 ARG 29 0.363 12.841 3.138 223 HA PRO 30 HA PRO 30 6.018 5.101 6.344 224 HB2 PRO 30 2HB PRO 30 8.237 7.071 6.880 225 HB3 PRO 30 3HB PRO 30 8.337 5.425 6.190 226 HG2 PRO 30 2HG PRO 30 8.482 7.630 4.602 227 HG3 PRO 30 3HG PRO 30 7.578 6.182 4.076 228 HD2 PRO 30 2HD PRO 30 6.507 8.753 5.232 229 HD3 PRO 30 3HD PRO 30 5.875 7.756 3.893 230 HA PRO 31 HA PRO 31 7.386 3.889 7.780 231 HB2 PRO 31 2HB PRO 31 7.263 2.177 9.853 232 HB3 PRO 31 3HB PRO 31 8.311 3.627 9.897 233 HG2 PRO 31 2HG PRO 31 5.521 3.326 11.068 234 HG3 PRO 31 3HG PRO 31 7.004 3.913 11.891 235 HD2 PRO 31 2HD PRO 31 5.173 5.619 10.753 236 HD3 PRO 31 3HD PRO 31 6.925 5.974 10.769 237 H SER 32 H SER 32 4.037 4.210 8.656 238 HA SER 32 HA SER 32 3.306 1.680 7.262 239 HB2 SER 32 2HB SER 32 2.261 0.754 9.208 240 HB3 SER 32 3HB SER 32 3.898 1.217 9.687 241 HG SER 32 HG SER 32 2.809 2.205 11.240 242 H SER 33 H SER 33 2.459 4.894 7.525 243 HA SER 33 HA SER 33 -0.248 4.466 8.544 244 HB2 SER 33 2HB SER 33 1.381 6.966 8.027 245 HB3 SER 33 3HB SER 33 -0.213 6.923 8.777 246 HG SER 33 HG SER 33 1.693 6.885 10.233 247 H CYS 34 H CYS 34 0.895 4.820 5.443 248 HA CYS 34 HA CYS 34 -0.097 5.897 3.517 249 HB2 CYS 34 2HB CYS 34 0.256 3.479 3.315 250 HB3 CYS 34 3HB CYS 34 -1.364 3.174 4.011 251 H ILE 35 H ILE 35 -1.535 7.487 3.121 252 HA ILE 35 HA ILE 35 -4.155 7.509 4.355 253 HB ILE 35 HB ILE 35 -4.571 9.542 3.265 254 HG12 ILE 35 2HG1 ILE 35 -2.039 9.183 1.599 255 HG13 ILE 35 3HG1 ILE 35 -3.685 8.966 0.993 256 HG21 ILE 35 1HG2 ILE 35 -1.636 9.571 4.081 257 HG22 ILE 35 2HG2 ILE 35 -2.820 10.881 4.214 258 HG23 ILE 35 3HG2 ILE 35 -2.994 9.446 5.223 259 HD11 ILE 35 1HD1 ILE 35 -2.452 11.545 1.999 260 HD12 ILE 35 2HD1 ILE 35 -3.040 11.166 0.374 261 HD13 ILE 35 3HD1 ILE 35 -4.198 11.339 1.703 262 H THR 36 H THR 36 -3.079 5.722 1.720 263 HA THR 36 HA THR 36 -5.498 5.890 0.065 264 HB THR 36 HB THR 36 -3.106 4.025 -0.162 265 HG1 THR 36 HG1 THR 36 -2.137 5.491 -1.257 266 HG21 THR 36 1HG2 THR 36 -4.906 3.311 -1.648 267 HG22 THR 36 2HG2 THR 36 -5.089 4.973 -2.266 268 HG23 THR 36 3HG2 THR 36 -3.604 4.045 -2.577 269 H VAL 37 H VAL 37 -4.360 3.844 2.714 270 HA VAL 37 HA VAL 37 -6.729 2.100 2.382 271 HB VAL 37 HB VAL 37 -4.856 1.154 1.033 272 HG11 VAL 37 1HG1 VAL 37 -3.460 0.684 3.703 273 HG12 VAL 37 2HG1 VAL 37 -2.952 0.073 2.116 274 HG13 VAL 37 3HG1 VAL 37 -2.932 1.809 2.433 275 HG21 VAL 37 1HG2 VAL 37 -6.646 -0.292 2.015 276 HG22 VAL 37 2HG2 VAL 37 -5.107 -1.111 1.681 277 HG23 VAL 37 3HG2 VAL 37 -5.518 -0.673 3.344 278 H GLU 38 H GLU 38 -7.250 0.772 4.189 279 HA GLU 38 HA GLU 38 -6.867 1.770 6.781 280 HB2 GLU 38 2HB GLU 38 -7.814 -0.296 7.594 281 HB3 GLU 38 3HB GLU 38 -8.706 0.292 6.192 282 HG2 GLU 38 2HG GLU 38 -7.616 -1.395 4.777 283 HG3 GLU 38 3HG GLU 38 -6.632 -1.931 6.148 284 H SER 39 H SER 39 -5.474 1.520 8.383 285 HA SER 39 HA SER 39 -2.906 0.112 7.828 286 HB2 SER 39 2HB SER 39 -1.776 2.250 8.390 287 HB3 SER 39 3HB SER 39 -2.847 2.396 6.996 288 HG SER 39 HG SER 39 -3.146 3.347 9.633 289 HA PRO 40 HA PRO 40 -0.598 1.023 9.549 290 HB2 PRO 40 2HB PRO 40 0.196 -1.403 11.100 291 HB3 PRO 40 3HB PRO 40 0.977 0.193 11.007 292 HG2 PRO 40 2HG PRO 40 -0.468 -0.429 13.191 293 HG3 PRO 40 3HG PRO 40 -0.685 1.183 12.430 294 HD2 PRO 40 2HD PRO 40 -2.346 -1.330 11.990 295 HD3 PRO 40 3HD PRO 40 -2.906 0.294 12.464 296 H ILE 41 H ILE 41 0.790 0.096 7.975 297 HA ILE 41 HA ILE 41 0.339 -2.704 7.058 298 HB ILE 41 HB ILE 41 0.708 -2.021 4.726 299 HG12 ILE 41 2HG1 ILE 41 0.291 0.856 5.635 300 HG13 ILE 41 3HG1 ILE 41 1.858 0.170 5.197 301 HG21 ILE 41 1HG2 ILE 41 -1.732 -0.646 5.899 302 HG22 ILE 41 2HG2 ILE 41 -1.545 -1.313 4.269 303 HG23 ILE 41 3HG2 ILE 41 -1.565 -2.402 5.655 304 HD11 ILE 41 1HD1 ILE 41 0.861 -0.369 2.911 305 HD12 ILE 41 2HD1 ILE 41 -0.537 0.619 3.383 306 HD13 ILE 41 3HD1 ILE 41 1.077 1.347 3.288 307 H SER 42 H SER 42 2.268 -3.328 5.508 308 HA SER 42 HA SER 42 4.843 -2.665 6.818 309 HB2 SER 42 2HB SER 42 4.213 -5.021 6.124 310 HB3 SER 42 3HB SER 42 4.344 -4.490 4.442 311 HG SER 42 HG SER 42 6.298 -5.442 5.609 312 H GLU 43 H GLU 43 6.730 -2.403 5.173 313 HA GLU 43 HA GLU 43 6.267 -0.195 3.283 314 HB2 GLU 43 2HB GLU 43 8.625 -0.293 2.908 315 HB3 GLU 43 3HB GLU 43 8.342 -0.342 4.641 316 HG2 GLU 43 2HG GLU 43 8.793 -2.760 4.701 317 HG3 GLU 43 3HG GLU 43 8.953 -2.774 2.947 318 H ASN 44 H ASN 44 5.548 -3.384 3.073 319 HA ASN 44 HA ASN 44 7.001 -3.929 0.566 320 HB2 ASN 44 2HB ASN 44 7.338 -4.959 3.001 321 HB3 ASN 44 3HB ASN 44 6.027 -6.027 2.496 322 HD21 ASN 44 1HD2 ASN 44 7.041 -7.881 2.359 323 HD22 ASN 44 2HD2 ASN 44 8.468 -8.121 1.368 324 H GLY 45 H GLY 45 3.671 -3.708 1.422 325 HA2 GLY 45 2HA GLY 45 2.680 -5.722 -0.485 326 HA3 GLY 45 3HA GLY 45 1.727 -4.610 0.493 327 H TRP 46 H TRP 46 0.651 -4.703 -1.779 328 HA TRP 46 HA TRP 46 1.334 -2.136 -3.067 329 HB2 TRP 46 2HB TRP 46 2.484 -3.830 -4.447 330 HB3 TRP 46 3HB TRP 46 0.979 -4.713 -4.637 331 HD1 TRP 46 HD1 TRP 46 2.616 -1.398 -5.664 332 HE1 TRP 46 HE1 TRP 46 1.560 -0.537 -7.850 333 HE3 TRP 46 HE3 TRP 46 -1.125 -4.855 -6.169 334 HZ2 TRP 46 HZ2 TRP 46 -0.597 -1.297 -9.604 335 HZ3 TRP 46 HZ3 TRP 46 -2.665 -4.765 -8.119 336 HH2 TRP 46 HH2 TRP 46 -2.390 -3.010 -9.852 337 H CYS 47 H CYS 47 -0.409 -0.939 -3.635 338 HA CYS 47 HA CYS 47 -3.110 -2.161 -3.443 339 HB2 CYS 47 2HB CYS 47 -3.947 0.040 -3.010 340 HB3 CYS 47 3HB CYS 47 -2.578 -0.234 -1.935 341 H ARG 48 H ARG 48 -4.642 -1.767 -5.000 342 HA ARG 48 HA ARG 48 -3.640 -1.538 -7.740 343 HB2 ARG 48 2HB ARG 48 -5.562 -3.073 -6.660 344 HB3 ARG 48 3HB ARG 48 -6.570 -1.668 -7.039 345 HG2 ARG 48 2HG ARG 48 -5.571 -1.860 -9.407 346 HG3 ARG 48 3HG ARG 48 -5.006 -3.459 -8.926 347 HD2 ARG 48 2HD ARG 48 -7.880 -2.443 -8.864 348 HD3 ARG 48 3HD ARG 48 -7.230 -3.473 -10.119 349 HE ARG 48 HE ARG 48 -8.300 -4.287 -7.594 350 HH11 ARG 48 1HH1 ARG 48 -5.996 -5.330 -10.048 351 HH12 ARG 48 2HH1 ARG 48 -5.804 -6.897 -9.273 352 HH21 ARG 48 1HH2 ARG 48 -8.272 -6.419 -6.932 353 HH22 ARG 48 2HH2 ARG 48 -7.306 -7.563 -7.820 354 H LEU 49 H LEU 49 -3.743 0.890 -5.793 355 HA LEU 49 HA LEU 49 -5.497 2.735 -7.342 356 HB2 LEU 49 2HB LEU 49 -4.430 2.670 -4.543 357 HB3 LEU 49 3HB LEU 49 -4.678 4.245 -5.254 358 HG LEU 49 HG LEU 49 -6.578 3.396 -3.890 359 HD11 LEU 49 1HD1 LEU 49 -7.252 4.015 -6.800 360 HD12 LEU 49 2HD1 LEU 49 -8.321 4.201 -5.400 361 HD13 LEU 49 3HD1 LEU 49 -6.873 5.204 -5.533 362 HD21 LEU 49 1HD2 LEU 49 -6.539 1.023 -4.722 363 HD22 LEU 49 2HD2 LEU 49 -8.138 1.797 -4.750 364 HD23 LEU 49 3HD2 LEU 49 -7.233 1.595 -6.255 365 H TYR 50 H TYR 50 -3.560 1.897 -8.862 366 HA TYR 50 HA TYR 50 -1.745 2.378 -10.114 367 HB2 TYR 50 2HB TYR 50 -2.678 5.230 -9.728 368 HB3 TYR 50 3HB TYR 50 -1.702 4.610 -11.058 369 HD1 TYR 50 HD1 TYR 50 -2.730 2.533 -12.372 370 HD2 TYR 50 HD2 TYR 50 -5.032 5.363 -10.064 371 HE1 TYR 50 HE1 TYR 50 -4.795 1.817 -13.545 372 HE2 TYR 50 HE2 TYR 50 -7.097 4.648 -11.266 373 HH TYR 50 HH TYR 50 -7.089 1.936 -13.605 374 H ALA 51 H ALA 51 -1.004 1.967 -7.411 375 HA ALA 51 HA ALA 51 1.074 3.744 -6.591 376 HB1 ALA 51 1HB ALA 51 0.412 0.825 -6.064 377 HB2 ALA 51 2HB ALA 51 1.800 1.631 -5.322 378 HB3 ALA 51 3HB ALA 51 0.150 2.223 -5.014 379 H GLY 52 H GLY 52 2.959 4.177 -7.543 380 HA2 GLY 52 2HA GLY 52 5.056 2.694 -8.183 381 HA3 GLY 52 3HA GLY 52 4.100 2.442 -9.641 382 H LYS 53 H LYS 53 6.624 3.655 -9.622 383 HA LYS 53 HA LYS 53 6.200 6.544 -10.072 384 HB2 LYS 53 2HB LYS 53 8.620 4.792 -9.639 385 HB3 LYS 53 3HB LYS 53 8.785 6.320 -10.498 386 HG2 LYS 53 2HG LYS 53 9.282 6.698 -8.217 387 HG3 LYS 53 3HG LYS 53 7.782 7.554 -8.612 388 HD2 LYS 53 2HD LYS 53 6.488 5.730 -7.510 389 HD3 LYS 53 3HD LYS 53 7.998 4.920 -7.093 390 HE2 LYS 53 2HE LYS 53 7.110 7.703 -6.197 391 HE3 LYS 53 3HE LYS 53 7.045 6.233 -5.219 392 HZ1 LYS 53 1HZ LYS 53 9.498 6.094 -5.490 393 HZ2 LYS 53 2HZ LYS 53 9.480 7.609 -6.176 394 HZ3 LYS 53 3HZ LYS 53 8.986 7.379 -4.620 395 H ALA 54 H ALA 54 5.794 7.275 -11.817 396 HA ALA 54 HA ALA 54 5.410 7.742 -14.003 397 HB1 ALA 54 1HB ALA 54 8.176 6.571 -14.425 398 HB2 ALA 54 2HB ALA 54 7.332 7.719 -15.473 399 HB3 ALA 54 3HB ALA 54 7.820 8.212 -13.848 Start of MODEL 10 1 H1 VAL 1 1H VAL 1 -10.682 13.702 10.651 2 H2 VAL 1 2H VAL 1 -9.163 13.825 11.258 3 H3 VAL 1 3H VAL 1 -10.049 12.466 11.539 4 HA VAL 1 HA VAL 1 -9.138 13.379 8.899 5 HB VAL 1 HB VAL 1 -7.757 11.268 8.889 6 HG11 VAL 1 1HG1 VAL 1 -6.923 13.493 10.780 7 HG12 VAL 1 2HG1 VAL 1 -5.848 12.346 9.962 8 HG13 VAL 1 3HG1 VAL 1 -6.787 13.507 9.012 9 HG21 VAL 1 1HG2 VAL 1 -8.697 10.179 10.938 10 HG22 VAL 1 2HG2 VAL 1 -6.940 10.361 10.974 11 HG23 VAL 1 3HG2 VAL 1 -7.948 11.459 11.925 12 H THR 2 H THR 2 -9.712 12.219 7.140 13 HA THR 2 HA THR 2 -12.291 11.028 7.170 14 HB THR 2 HB THR 2 -10.135 11.156 5.034 15 HG1 THR 2 HG1 THR 2 -11.338 12.908 4.359 16 HG21 THR 2 1HG2 THR 2 -12.037 10.972 3.411 17 HG22 THR 2 2HG2 THR 2 -11.702 9.472 4.272 18 HG23 THR 2 3HG2 THR 2 -13.095 10.474 4.749 19 H LYS 3 H LYS 3 -13.060 8.985 6.875 20 HA LYS 3 HA LYS 3 -11.356 6.688 7.612 21 HB2 LYS 3 2HB LYS 3 -13.617 7.061 8.594 22 HB3 LYS 3 3HB LYS 3 -14.321 6.924 6.984 23 HG2 LYS 3 2HG LYS 3 -14.712 4.891 8.169 24 HG3 LYS 3 3HG LYS 3 -13.569 4.547 6.870 25 HD2 LYS 3 2HD LYS 3 -11.705 4.585 8.493 26 HD3 LYS 3 3HD LYS 3 -12.824 5.029 9.796 27 HE2 LYS 3 2HE LYS 3 -13.986 2.919 9.620 28 HE3 LYS 3 3HE LYS 3 -13.118 2.490 8.139 29 HZ1 LYS 3 1HZ LYS 3 -11.808 2.855 10.779 30 HZ2 LYS 3 2HZ LYS 3 -12.191 1.394 10.112 31 HZ3 LYS 3 3HZ LYS 3 -11.074 2.343 9.399 32 H LYS 4 H LYS 4 -10.697 5.119 6.272 33 HA LYS 4 HA LYS 4 -11.352 5.306 3.363 34 HB2 LYS 4 2HB LYS 4 -8.665 4.597 4.601 35 HB3 LYS 4 3HB LYS 4 -9.037 4.688 2.876 36 HG2 LYS 4 2HG LYS 4 -9.977 7.125 3.800 37 HG3 LYS 4 3HG LYS 4 -8.570 6.862 4.817 38 HD2 LYS 4 2HD LYS 4 -7.944 8.214 2.949 39 HD3 LYS 4 3HD LYS 4 -7.173 6.629 2.740 40 HE2 LYS 4 2HE LYS 4 -8.766 5.966 1.093 41 HE3 LYS 4 3HE LYS 4 -9.875 7.287 1.479 42 HZ1 LYS 4 1HZ LYS 4 -7.178 7.784 0.375 43 HZ2 LYS 4 2HZ LYS 4 -8.485 7.622 -0.580 44 HZ3 LYS 4 3HZ LYS 4 -8.426 8.858 0.504 45 H ALA 5 H ALA 5 -10.710 3.528 2.094 46 HA ALA 5 HA ALA 5 -12.388 1.336 2.596 47 HB1 ALA 5 1HB ALA 5 -10.119 1.602 0.584 48 HB2 ALA 5 2HB ALA 5 -11.439 0.426 0.494 49 HB3 ALA 5 3HB ALA 5 -11.798 2.154 0.356 50 H SER 6 H SER 6 -12.070 -0.887 2.847 51 HA SER 6 HA SER 6 -9.866 -1.734 4.587 52 HB2 SER 6 2HB SER 6 -11.104 -3.837 4.690 53 HB3 SER 6 3HB SER 6 -12.206 -2.482 4.961 54 HG SER 6 HG SER 6 -13.134 -3.906 3.520 55 H HIS 7 H HIS 7 -8.585 -3.676 4.069 56 HA HIS 7 HA HIS 7 -7.422 -3.650 1.424 57 HB2 HIS 7 2HB HIS 7 -7.211 -5.537 3.791 58 HB3 HIS 7 3HB HIS 7 -6.338 -5.809 2.284 59 HD2 HIS 7 HD2 HIS 7 -6.498 -3.272 5.210 60 HE1 HIS 7 HE1 HIS 7 -3.078 -2.257 2.881 61 HE2 HIS 7 HE2 HIS 7 -4.378 -1.718 4.997 62 H LYS 8 H LYS 8 -10.231 -5.299 2.613 63 HA LYS 8 HA LYS 8 -10.525 -7.175 0.398 64 HB2 LYS 8 2HB LYS 8 -11.554 -7.432 2.681 65 HB3 LYS 8 3HB LYS 8 -12.624 -6.090 2.285 66 HG2 LYS 8 2HG LYS 8 -13.876 -7.962 1.825 67 HG3 LYS 8 3HG LYS 8 -13.353 -7.462 0.225 68 HD2 LYS 8 2HD LYS 8 -11.560 -9.225 0.293 69 HD3 LYS 8 3HD LYS 8 -12.140 -9.721 1.897 70 HE2 LYS 8 2HE LYS 8 -14.381 -10.221 0.906 71 HE3 LYS 8 3HE LYS 8 -13.765 -9.748 -0.682 72 HZ1 LYS 8 1HZ LYS 8 -12.107 -11.530 -0.472 73 HZ2 LYS 8 2HZ LYS 8 -12.807 -12.055 0.931 74 HZ3 LYS 8 3HZ LYS 8 -13.632 -12.100 -0.506 75 H ASP 9 H ASP 9 -12.223 -4.127 1.190 76 HA ASP 9 HA ASP 9 -13.609 -3.795 -1.256 77 HB2 ASP 9 2HB ASP 9 -13.926 -2.537 0.913 78 HB3 ASP 9 3HB ASP 9 -12.515 -1.609 0.513 79 H ALA 10 H ALA 10 -10.448 -2.519 -0.302 80 HA ALA 10 HA ALA 10 -9.905 -1.196 -2.810 81 HB1 ALA 10 1HB ALA 10 -7.783 -0.619 -1.766 82 HB2 ALA 10 2HB ALA 10 -9.099 -0.431 -0.596 83 HB3 ALA 10 3HB ALA 10 -8.030 -1.850 -0.510 84 H GLY 11 H GLY 11 -9.788 -4.524 -2.326 85 HA2 GLY 11 2HA GLY 11 -9.028 -6.173 -3.734 86 HA3 GLY 11 3HA GLY 11 -8.568 -4.910 -4.872 87 H TYR 12 H TYR 12 -7.135 -5.296 -1.615 88 HA TYR 12 HA TYR 12 -4.423 -5.490 -2.568 89 HB2 TYR 12 2HB TYR 12 -4.830 -4.690 -0.341 90 HB3 TYR 12 3HB TYR 12 -5.750 -6.129 0.074 91 HD1 TYR 12 HD1 TYR 12 -2.298 -4.841 -0.513 92 HD2 TYR 12 HD2 TYR 12 -4.717 -8.182 0.768 93 HE1 TYR 12 HE1 TYR 12 -0.269 -5.979 0.381 94 HE2 TYR 12 HE2 TYR 12 -2.678 -9.318 1.633 95 HH TYR 12 HH TYR 12 0.501 -7.747 1.705 96 H GLN 13 H GLN 13 -3.101 -7.212 -2.880 97 HA GLN 13 HA GLN 13 -4.368 -9.864 -3.377 98 HB2 GLN 13 2HB GLN 13 -2.437 -10.147 -4.993 99 HB3 GLN 13 3HB GLN 13 -3.670 -8.997 -5.423 100 HG2 GLN 13 2HG GLN 13 -2.159 -7.122 -4.589 101 HG3 GLN 13 3HG GLN 13 -0.900 -8.340 -4.336 102 HE21 GLN 13 1HE2 GLN 13 0.244 -6.846 -5.626 103 HE22 GLN 13 2HE2 GLN 13 0.193 -7.195 -7.352 104 H GLU 14 H GLU 14 -3.143 -11.753 -3.143 105 HA GLU 14 HA GLU 14 -1.873 -11.963 -0.606 106 HB2 GLU 14 2HB GLU 14 -1.621 -14.291 -1.123 107 HB3 GLU 14 3HB GLU 14 -3.186 -13.740 -1.700 108 HG2 GLU 14 2HG GLU 14 -2.720 -14.487 -3.764 109 HG3 GLU 14 3HG GLU 14 -1.353 -13.403 -3.899 110 H SER 15 H SER 15 -0.384 -11.048 -3.586 111 HA SER 15 HA SER 15 2.283 -11.294 -2.355 112 HB2 SER 15 2HB SER 15 3.094 -12.389 -4.617 113 HB3 SER 15 3HB SER 15 2.517 -13.346 -3.256 114 HG SER 15 HG SER 15 0.849 -13.942 -4.345 115 HA PRO 16 HA PRO 16 3.027 -7.530 -3.968 116 HB2 PRO 16 2HB PRO 16 5.747 -7.398 -4.364 117 HB3 PRO 16 3HB PRO 16 4.955 -7.515 -2.762 118 HG2 PRO 16 2HG PRO 16 6.153 -9.736 -4.434 119 HG3 PRO 16 3HG PRO 16 6.383 -9.414 -2.684 120 HD2 PRO 16 2HD PRO 16 4.614 -11.251 -3.601 121 HD3 PRO 16 3HD PRO 16 4.236 -10.277 -2.160 122 H ASN 17 H ASN 17 3.178 -6.186 -5.722 123 HA ASN 17 HA ASN 17 3.168 -7.406 -8.399 124 HB2 ASN 17 2HB ASN 17 1.474 -5.704 -7.723 125 HB3 ASN 17 3HB ASN 17 2.745 -4.524 -7.519 126 HD21 ASN 17 1HD2 ASN 17 1.286 -3.406 -9.088 127 HD22 ASN 17 2HD2 ASN 17 1.555 -3.673 -10.800 128 H GLY 18 H GLY 18 5.534 -8.023 -7.759 129 HA2 GLY 18 2HA GLY 18 7.816 -7.797 -8.032 130 HA3 GLY 18 3HA GLY 18 7.368 -6.908 -9.487 131 H ALA 19 H ALA 19 8.360 -5.054 -9.599 132 HA ALA 19 HA ALA 19 9.630 -3.736 -7.365 133 HB1 ALA 19 1HB ALA 19 9.331 -2.918 -10.286 134 HB2 ALA 19 2HB ALA 19 10.470 -2.222 -9.115 135 HB3 ALA 19 3HB ALA 19 10.636 -3.918 -9.605 136 H LYS 20 H LYS 20 6.353 -3.362 -8.506 137 HA LYS 20 HA LYS 20 6.227 -0.464 -7.891 138 HB2 LYS 20 2HB LYS 20 4.013 -2.468 -8.536 139 HB3 LYS 20 3HB LYS 20 3.813 -0.743 -8.275 140 HG2 LYS 20 2HG LYS 20 3.895 -0.659 -10.513 141 HG3 LYS 20 3HG LYS 20 5.634 -0.548 -10.229 142 HD2 LYS 20 2HD LYS 20 5.843 -3.000 -10.675 143 HD3 LYS 20 3HD LYS 20 4.083 -3.103 -10.869 144 HE2 LYS 20 2HE LYS 20 4.278 -1.372 -12.720 145 HE3 LYS 20 3HE LYS 20 6.036 -1.541 -12.606 146 HZ1 LYS 20 1HZ LYS 20 4.098 -3.684 -13.309 147 HZ2 LYS 20 2HZ LYS 20 5.206 -3.013 -14.319 148 HZ3 LYS 20 3HZ LYS 20 5.665 -3.967 -13.049 149 H ARG 21 H ARG 21 6.611 -0.019 -5.761 150 HA ARG 21 HA ARG 21 5.179 -1.608 -3.654 151 HB2 ARG 21 2HB ARG 21 7.231 -2.685 -3.899 152 HB3 ARG 21 3HB ARG 21 8.137 -1.193 -4.132 153 HG2 ARG 21 2HG ARG 21 8.110 -0.630 -1.849 154 HG3 ARG 21 3HG ARG 21 6.789 -1.744 -1.469 155 HD2 ARG 21 2HD ARG 21 8.336 -3.650 -2.072 156 HD3 ARG 21 3HD ARG 21 9.635 -2.473 -2.335 157 HE ARG 21 HE ARG 21 8.667 -1.989 0.263 158 HH11 ARG 21 1HH1 ARG 21 10.058 -4.785 -1.386 159 HH12 ARG 21 2HH1 ARG 21 10.887 -5.293 0.018 160 HH21 ARG 21 1HH2 ARG 21 9.933 -2.762 2.066 161 HH22 ARG 21 2HH2 ARG 21 10.419 -4.445 1.963 162 H CYS 22 H CYS 22 4.518 -0.656 -1.888 163 HA CYS 22 HA CYS 22 4.051 2.006 -1.497 164 HB2 CYS 22 2HB CYS 22 4.492 -0.282 0.463 165 HB3 CYS 22 3HB CYS 22 3.806 1.287 0.906 166 H GLY 23 H GLY 23 7.040 0.362 -0.339 167 HA2 GLY 23 2HA GLY 23 8.266 2.301 1.144 168 HA3 GLY 23 3HA GLY 23 9.136 1.226 0.052 169 H THR 24 H THR 24 7.933 2.555 -2.416 170 HA THR 24 HA THR 24 9.258 5.240 -2.234 171 HB THR 24 HB THR 24 9.215 3.619 -4.783 172 HG1 THR 24 HG1 THR 24 10.495 2.517 -3.393 173 HG21 THR 24 1HG2 THR 24 10.634 6.147 -3.884 174 HG22 THR 24 2HG2 THR 24 11.259 5.148 -5.213 175 HG23 THR 24 3HG2 THR 24 9.674 5.887 -5.350 176 H CYS 25 H CYS 25 6.388 4.475 -1.761 177 HA CYS 25 HA CYS 25 4.822 5.487 -3.952 178 HB2 CYS 25 2HB CYS 25 3.810 4.072 -2.289 179 HB3 CYS 25 3HB CYS 25 4.291 5.140 -0.979 180 H ARG 26 H ARG 26 3.737 7.369 -4.227 181 HA ARG 26 HA ARG 26 4.867 9.880 -3.895 182 HB2 ARG 26 2HB ARG 26 2.701 10.851 -4.338 183 HB3 ARG 26 3HB ARG 26 3.072 9.552 -5.441 184 HG2 ARG 26 2HG ARG 26 1.211 9.109 -3.055 185 HG3 ARG 26 3HG ARG 26 0.659 9.833 -4.564 186 HD2 ARG 26 2HD ARG 26 1.455 7.865 -5.821 187 HD3 ARG 26 3HD ARG 26 1.925 7.095 -4.323 188 HE ARG 26 HE ARG 26 -0.934 7.856 -4.866 189 HH11 ARG 26 1HH1 ARG 26 1.251 5.428 -3.646 190 HH12 ARG 26 2HH1 ARG 26 0.093 4.163 -3.848 191 HH21 ARG 26 1HH2 ARG 26 -2.428 6.204 -4.843 192 HH22 ARG 26 2HH2 ARG 26 -1.929 4.584 -4.352 193 H GLN 27 H GLN 27 2.802 8.280 -1.467 194 HA GLN 27 HA GLN 27 3.638 10.288 0.534 195 HB2 GLN 27 2HB GLN 27 0.730 9.891 -0.230 196 HB3 GLN 27 3HB GLN 27 1.288 10.713 1.228 197 HG2 GLN 27 2HG GLN 27 2.508 12.370 -0.218 198 HG3 GLN 27 3HG GLN 27 1.721 11.637 -1.631 199 HE21 GLN 27 1HE2 GLN 27 0.947 13.105 1.568 200 HE22 GLN 27 2HE2 GLN 27 -0.571 13.820 0.995 201 H PHE 28 H PHE 28 4.713 8.107 1.060 202 HA PHE 28 HA PHE 28 3.009 6.130 2.434 203 HB2 PHE 28 2HB PHE 28 4.918 5.370 1.156 204 HB3 PHE 28 3HB PHE 28 6.010 6.408 2.061 205 HD1 PHE 28 HD1 PHE 28 3.611 3.540 2.518 206 HD2 PHE 28 HD2 PHE 28 7.121 5.566 3.971 207 HE1 PHE 28 HE1 PHE 28 3.940 1.755 4.218 208 HE2 PHE 28 HE2 PHE 28 7.449 3.773 5.670 209 HZ PHE 28 HZ PHE 28 5.850 1.882 5.802 210 H ARG 29 H ARG 29 4.833 8.957 3.398 211 HA ARG 29 HA ARG 29 5.579 9.790 5.414 212 HB2 ARG 29 2HB ARG 29 3.338 10.533 5.143 213 HB3 ARG 29 3HB ARG 29 2.692 9.114 5.930 214 HG2 ARG 29 2HG ARG 29 2.707 11.162 7.373 215 HG3 ARG 29 3HG ARG 29 3.563 9.812 8.087 216 HD2 ARG 29 2HD ARG 29 4.811 11.844 8.460 217 HD3 ARG 29 3HD ARG 29 5.737 10.782 7.415 218 HE ARG 29 HE ARG 29 4.054 12.747 6.002 219 HH11 ARG 29 1HH1 ARG 29 7.293 12.320 7.447 220 HH12 ARG 29 2HH1 ARG 29 7.878 13.709 6.552 221 HH21 ARG 29 1HH2 ARG 29 5.120 14.345 4.749 222 HH22 ARG 29 2HH2 ARG 29 6.774 14.733 5.185 223 HA PRO 30 HA PRO 30 7.001 5.873 7.363 224 HB2 PRO 30 2HB PRO 30 9.216 7.835 7.987 225 HB3 PRO 30 3HB PRO 30 9.340 6.094 7.588 226 HG2 PRO 30 2HG PRO 30 9.826 7.956 5.689 227 HG3 PRO 30 3HG PRO 30 8.836 6.516 5.287 228 HD2 PRO 30 2HD PRO 30 7.907 9.318 5.957 229 HD3 PRO 30 3HD PRO 30 7.332 8.215 4.671 230 HA PRO 31 HA PRO 31 8.104 4.703 9.231 231 HB2 PRO 31 2HB PRO 31 7.059 3.136 11.190 232 HB3 PRO 31 3HB PRO 31 8.339 4.348 11.498 233 HG2 PRO 31 2HG PRO 31 5.350 4.662 11.914 234 HG3 PRO 31 3HG PRO 31 6.676 5.043 13.062 235 HD2 PRO 31 2HD PRO 31 5.530 6.941 11.473 236 HD3 PRO 31 3HD PRO 31 7.272 6.988 11.868 237 H SER 32 H SER 32 4.626 5.314 9.469 238 HA SER 32 HA SER 32 4.071 4.127 7.001 239 HB2 SER 32 2HB SER 32 4.294 1.934 8.133 240 HB3 SER 32 3HB SER 32 3.033 2.421 9.279 241 HG SER 32 HG SER 32 2.678 1.255 7.033 242 H SER 33 H SER 33 2.704 5.678 6.431 243 HA SER 33 HA SER 33 -0.009 5.675 7.588 244 HB2 SER 33 2HB SER 33 1.750 8.100 7.495 245 HB3 SER 33 3HB SER 33 -0.005 8.266 7.352 246 HG SER 33 HG SER 33 -0.302 7.514 9.312 247 H CYS 34 H CYS 34 -0.640 4.662 5.702 248 HA CYS 34 HA CYS 34 -0.024 5.726 3.044 249 HB2 CYS 34 2HB CYS 34 -0.318 3.366 3.259 250 HB3 CYS 34 3HB CYS 34 -1.921 3.542 3.994 251 H ILE 35 H ILE 35 -1.504 6.449 1.489 252 HA ILE 35 HA ILE 35 -3.638 8.263 2.534 253 HB ILE 35 HB ILE 35 -3.476 9.416 0.383 254 HG12 ILE 35 2HG1 ILE 35 -0.916 7.868 -0.183 255 HG13 ILE 35 3HG1 ILE 35 -2.467 7.349 -0.844 256 HG21 ILE 35 1HG2 ILE 35 -0.825 9.261 1.835 257 HG22 ILE 35 2HG2 ILE 35 -1.467 10.638 0.915 258 HG23 ILE 35 3HG2 ILE 35 -2.248 10.145 2.419 259 HD11 ILE 35 1HD1 ILE 35 -1.253 10.089 -1.313 260 HD12 ILE 35 2HD1 ILE 35 -1.263 8.730 -2.456 261 HD13 ILE 35 3HD1 ILE 35 -2.788 9.491 -1.962 262 H THR 36 H THR 36 -3.440 5.230 1.005 263 HA THR 36 HA THR 36 -5.950 5.690 -0.574 264 HB THR 36 HB THR 36 -3.912 3.455 -0.836 265 HG1 THR 36 HG1 THR 36 -2.852 4.929 -1.786 266 HG21 THR 36 1HG2 THR 36 -6.298 4.325 -2.529 267 HG22 THR 36 2HG2 THR 36 -5.014 3.244 -3.109 268 HG23 THR 36 3HG2 THR 36 -6.046 2.744 -1.760 269 H VAL 37 H VAL 37 -4.520 3.331 1.700 270 HA VAL 37 HA VAL 37 -7.220 2.120 2.145 271 HB VAL 37 HB VAL 37 -5.782 0.935 0.465 272 HG11 VAL 37 1HG1 VAL 37 -3.898 -0.420 1.201 273 HG12 VAL 37 2HG1 VAL 37 -3.565 1.289 1.496 274 HG13 VAL 37 3HG1 VAL 37 -4.023 0.235 2.848 275 HG21 VAL 37 1HG2 VAL 37 -7.571 -0.254 1.660 276 HG22 VAL 37 2HG2 VAL 37 -6.209 -1.296 1.226 277 HG23 VAL 37 3HG2 VAL 37 -6.400 -0.769 2.898 278 H GLU 38 H GLU 38 -7.261 0.697 4.123 279 HA GLU 38 HA GLU 38 -6.572 2.033 6.454 280 HB2 GLU 38 2HB GLU 38 -7.147 -0.842 5.874 281 HB3 GLU 38 3HB GLU 38 -6.672 -0.418 7.489 282 HG2 GLU 38 2HG GLU 38 -8.974 0.900 6.011 283 HG3 GLU 38 3HG GLU 38 -9.140 -0.444 7.123 284 H SER 39 H SER 39 -5.210 1.903 7.992 285 HA SER 39 HA SER 39 -2.378 1.227 7.355 286 HB2 SER 39 2HB SER 39 -3.248 3.388 6.336 287 HB3 SER 39 3HB SER 39 -3.359 4.000 7.990 288 HG SER 39 HG SER 39 -1.225 3.997 8.163 289 HA PRO 40 HA PRO 40 -0.163 2.276 8.738 290 HB2 PRO 40 2HB PRO 40 1.494 0.709 10.221 291 HB3 PRO 40 3HB PRO 40 0.952 2.343 10.708 292 HG2 PRO 40 2HG PRO 40 -0.216 -0.328 11.552 293 HG3 PRO 40 3HG PRO 40 0.249 1.059 12.592 294 HD2 PRO 40 2HD PRO 40 -2.318 0.709 11.823 295 HD3 PRO 40 3HD PRO 40 -1.601 2.345 11.864 296 H ILE 41 H ILE 41 0.508 1.355 6.961 297 HA ILE 41 HA ILE 41 -0.200 -1.454 6.354 298 HB ILE 41 HB ILE 41 -0.915 0.441 4.837 299 HG12 ILE 41 2HG1 ILE 41 0.718 -1.838 3.647 300 HG13 ILE 41 3HG1 ILE 41 -0.976 -1.877 4.141 301 HG21 ILE 41 1HG2 ILE 41 2.001 0.441 3.950 302 HG22 ILE 41 2HG2 ILE 41 0.685 1.394 3.267 303 HG23 ILE 41 3HG2 ILE 41 1.238 1.735 4.908 304 HD11 ILE 41 1HD1 ILE 41 0.219 -0.334 1.813 305 HD12 ILE 41 2HD1 ILE 41 -0.915 -1.687 1.759 306 HD13 ILE 41 3HD1 ILE 41 -1.450 -0.115 2.390 307 H SER 42 H SER 42 1.361 -2.980 5.642 308 HA SER 42 HA SER 42 4.137 -2.570 6.442 309 HB2 SER 42 2HB SER 42 2.834 -4.695 4.715 310 HB3 SER 42 3HB SER 42 4.539 -4.704 5.208 311 HG SER 42 HG SER 42 3.112 -5.926 6.607 312 H GLU 43 H GLU 43 5.870 -2.006 5.231 313 HA GLU 43 HA GLU 43 5.431 -0.208 3.093 314 HB2 GLU 43 2HB GLU 43 7.863 0.070 3.083 315 HB3 GLU 43 3HB GLU 43 7.195 0.118 4.712 316 HG2 GLU 43 2HG GLU 43 8.062 -1.979 5.309 317 HG3 GLU 43 3HG GLU 43 8.270 -2.475 3.629 318 H ASN 44 H ASN 44 5.199 -3.346 2.601 319 HA ASN 44 HA ASN 44 6.484 -3.493 -0.074 320 HB2 ASN 44 2HB ASN 44 5.523 -5.897 0.058 321 HB3 ASN 44 3HB ASN 44 6.921 -5.466 1.031 322 HD21 ASN 44 1HD2 ASN 44 6.829 -6.840 2.647 323 HD22 ASN 44 2HD2 ASN 44 5.544 -6.778 3.830 324 H GLY 45 H GLY 45 3.263 -4.057 1.345 325 HA2 GLY 45 2HA GLY 45 1.128 -3.779 0.547 326 HA3 GLY 45 3HA GLY 45 1.736 -2.169 0.282 327 H TRP 46 H TRP 46 1.884 -1.431 -1.722 328 HA TRP 46 HA TRP 46 1.306 -1.000 -3.851 329 HB2 TRP 46 2HB TRP 46 2.338 -3.129 -4.680 330 HB3 TRP 46 3HB TRP 46 0.806 -3.917 -4.397 331 HD1 TRP 46 HD1 TRP 46 2.278 -1.150 -6.605 332 HE1 TRP 46 HE1 TRP 46 0.858 -0.931 -8.763 333 HE3 TRP 46 HE3 TRP 46 -1.451 -4.457 -5.468 334 HZ2 TRP 46 HZ2 TRP 46 -1.460 -2.165 -9.894 335 HZ3 TRP 46 HZ3 TRP 46 -3.263 -4.919 -7.109 336 HH2 TRP 46 HH2 TRP 46 -3.280 -3.782 -9.321 337 H CYS 47 H CYS 47 -0.443 0.207 -3.744 338 HA CYS 47 HA CYS 47 -3.119 -1.073 -3.600 339 HB2 CYS 47 2HB CYS 47 -4.009 1.182 -3.611 340 HB3 CYS 47 3HB CYS 47 -2.846 0.997 -2.316 341 H ARG 48 H ARG 48 -4.591 -0.722 -5.332 342 HA ARG 48 HA ARG 48 -3.551 -1.154 -7.986 343 HB2 ARG 48 2HB ARG 48 -6.329 -0.364 -7.002 344 HB3 ARG 48 3HB ARG 48 -5.954 -0.828 -8.665 345 HG2 ARG 48 2HG ARG 48 -5.270 -3.064 -7.972 346 HG3 ARG 48 3HG ARG 48 -5.447 -2.646 -6.268 347 HD2 ARG 48 2HD ARG 48 -7.343 -3.970 -6.932 348 HD3 ARG 48 3HD ARG 48 -7.868 -2.336 -6.557 349 HE ARG 48 HE ARG 48 -8.592 -2.066 -8.749 350 HH11 ARG 48 1HH1 ARG 48 -6.688 -5.061 -8.781 351 HH12 ARG 48 2HH1 ARG 48 -6.923 -5.210 -10.510 352 HH21 ARG 48 1HH2 ARG 48 -9.073 -2.519 -10.703 353 HH22 ARG 48 2HH2 ARG 48 -8.545 -4.011 -11.481 354 H LEU 49 H LEU 49 -3.694 1.725 -6.239 355 HA LEU 49 HA LEU 49 -3.843 3.449 -8.657 356 HB2 LEU 49 2HB LEU 49 -4.062 4.168 -5.713 357 HB3 LEU 49 3HB LEU 49 -4.285 5.267 -7.074 358 HG LEU 49 HG LEU 49 -6.069 2.898 -6.363 359 HD11 LEU 49 1HD1 LEU 49 -7.734 4.600 -5.882 360 HD12 LEU 49 2HD1 LEU 49 -6.288 4.891 -4.905 361 HD13 LEU 49 3HD1 LEU 49 -6.599 5.893 -6.337 362 HD21 LEU 49 1HD2 LEU 49 -6.030 3.154 -8.808 363 HD22 LEU 49 2HD2 LEU 49 -7.552 3.736 -8.162 364 HD23 LEU 49 3HD2 LEU 49 -6.305 4.906 -8.646 365 H TYR 50 H TYR 50 -1.399 1.941 -7.089 366 HA TYR 50 HA TYR 50 0.488 3.536 -6.152 367 HB2 TYR 50 2HB TYR 50 0.863 1.218 -6.372 368 HB3 TYR 50 3HB TYR 50 0.769 1.282 -8.125 369 HD1 TYR 50 HD1 TYR 50 2.936 2.099 -5.196 370 HD2 TYR 50 HD2 TYR 50 2.657 1.878 -9.496 371 HE1 TYR 50 HE1 TYR 50 5.406 2.382 -5.386 372 HE2 TYR 50 HE2 TYR 50 5.119 2.175 -9.675 373 HH TYR 50 HH TYR 50 7.218 2.208 -6.796 374 H ALA 51 H ALA 51 1.656 5.217 -6.564 375 HA ALA 51 HA ALA 51 2.971 5.556 -9.131 376 HB1 ALA 51 1HB ALA 51 1.360 7.849 -7.916 377 HB2 ALA 51 2HB ALA 51 2.536 8.006 -9.226 378 HB3 ALA 51 3HB ALA 51 1.064 7.050 -9.462 379 H GLY 52 H GLY 52 4.941 6.732 -8.937 380 HA2 GLY 52 2HA GLY 52 6.149 6.491 -6.294 381 HA3 GLY 52 3HA GLY 52 6.996 6.421 -7.824 382 H LYS 53 H LYS 53 8.521 7.962 -6.962 383 HA LYS 53 HA LYS 53 7.626 10.828 -6.880 384 HB2 LYS 53 2HB LYS 53 10.022 9.323 -5.867 385 HB3 LYS 53 3HB LYS 53 10.296 10.944 -6.493 386 HG2 LYS 53 2HG LYS 53 9.918 10.962 -4.076 387 HG3 LYS 53 3HG LYS 53 8.745 11.934 -4.972 388 HD2 LYS 53 2HD LYS 53 7.047 10.134 -4.713 389 HD3 LYS 53 3HD LYS 53 8.235 9.135 -3.876 390 HE2 LYS 53 2HE LYS 53 6.708 10.193 -2.296 391 HE3 LYS 53 3HE LYS 53 8.352 10.778 -2.038 392 HZ1 LYS 53 1HZ LYS 53 7.786 12.846 -3.028 393 HZ2 LYS 53 2HZ LYS 53 6.395 12.263 -3.700 394 HZ3 LYS 53 3HZ LYS 53 6.491 12.513 -2.090 395 H ALA 54 H ALA 54 7.253 11.536 -8.863 396 HA ALA 54 HA ALA 54 8.293 10.465 -11.241 397 HB1 ALA 54 1HB ALA 54 7.157 13.251 -10.745 398 HB2 ALA 54 2HB ALA 54 7.295 12.449 -12.317 399 HB3 ALA 54 3HB ALA 54 6.210 11.783 -11.081 Start of MODEL 11 1 H1 VAL 1 1H VAL 1 -18.857 6.114 11.462 2 H2 VAL 1 2H VAL 1 -18.802 5.068 12.728 3 H3 VAL 1 3H VAL 1 -18.344 4.584 11.214 4 HA VAL 1 HA VAL 1 -16.998 6.666 12.811 5 HB VAL 1 HB VAL 1 -15.026 5.102 12.791 6 HG11 VAL 1 1HG1 VAL 1 -16.357 5.564 14.801 7 HG12 VAL 1 2HG1 VAL 1 -17.439 4.207 14.408 8 HG13 VAL 1 3HG1 VAL 1 -15.732 3.912 14.785 9 HG21 VAL 1 1HG2 VAL 1 -15.844 3.449 11.101 10 HG22 VAL 1 2HG2 VAL 1 -15.374 2.715 12.635 11 HG23 VAL 1 3HG2 VAL 1 -17.092 2.928 12.260 12 H THR 2 H THR 2 -15.287 7.750 11.903 13 HA THR 2 HA THR 2 -15.007 7.813 8.992 14 HB THR 2 HB THR 2 -13.161 9.028 11.084 15 HG1 THR 2 HG1 THR 2 -14.430 10.897 10.817 16 HG21 THR 2 1HG2 THR 2 -12.761 10.719 9.328 17 HG22 THR 2 2HG2 THR 2 -12.347 9.110 8.733 18 HG23 THR 2 3HG2 THR 2 -13.878 9.875 8.241 19 H LYS 3 H LYS 3 -13.448 6.758 7.785 20 HA LYS 3 HA LYS 3 -11.060 5.575 8.955 21 HB2 LYS 3 2HB LYS 3 -13.316 3.976 9.197 22 HB3 LYS 3 3HB LYS 3 -12.768 3.504 7.601 23 HG2 LYS 3 2HG LYS 3 -11.838 1.976 9.168 24 HG3 LYS 3 3HG LYS 3 -10.500 2.988 8.624 25 HD2 LYS 3 2HD LYS 3 -10.805 4.395 10.726 26 HD3 LYS 3 3HD LYS 3 -12.064 3.273 11.241 27 HE2 LYS 3 2HE LYS 3 -9.109 2.644 10.804 28 HE3 LYS 3 3HE LYS 3 -9.929 2.845 12.356 29 HZ1 LYS 3 1HZ LYS 3 -10.266 0.662 10.405 30 HZ2 LYS 3 2HZ LYS 3 -9.807 0.546 11.965 31 HZ3 LYS 3 3HZ LYS 3 -11.382 0.909 11.583 32 H LYS 4 H LYS 4 -9.631 4.555 7.410 33 HA LYS 4 HA LYS 4 -9.810 5.557 4.638 34 HB2 LYS 4 2HB LYS 4 -7.731 3.857 6.043 35 HB3 LYS 4 3HB LYS 4 -7.645 4.372 4.360 36 HG2 LYS 4 2HG LYS 4 -8.246 6.748 5.545 37 HG3 LYS 4 3HG LYS 4 -7.259 5.991 6.791 38 HD2 LYS 4 2HD LYS 4 -5.441 5.685 5.083 39 HD3 LYS 4 3HD LYS 4 -6.508 6.424 3.849 40 HE2 LYS 4 2HE LYS 4 -6.797 8.406 5.289 41 HE3 LYS 4 3HE LYS 4 -5.725 7.681 6.484 42 HZ1 LYS 4 1HZ LYS 4 -4.507 9.273 5.094 43 HZ2 LYS 4 2HZ LYS 4 -3.939 7.760 4.799 44 HZ3 LYS 4 3HZ LYS 4 -4.974 8.498 3.727 45 H ALA 5 H ALA 5 -9.114 3.827 2.925 46 HA ALA 5 HA ALA 5 -11.357 2.013 2.636 47 HB1 ALA 5 1HB ALA 5 -8.828 2.378 0.979 48 HB2 ALA 5 2HB ALA 5 -10.260 1.455 0.484 49 HB3 ALA 5 3HB ALA 5 -10.380 3.209 0.729 50 H SER 6 H SER 6 -11.424 -0.252 2.647 51 HA SER 6 HA SER 6 -9.535 -1.662 4.341 52 HB2 SER 6 2HB SER 6 -10.869 -3.599 3.953 53 HB3 SER 6 3HB SER 6 -11.965 -2.242 4.183 54 HG SER 6 HG SER 6 -12.516 -3.616 2.401 55 H HIS 7 H HIS 7 -8.455 -3.725 3.610 56 HA HIS 7 HA HIS 7 -6.603 -3.231 1.496 57 HB2 HIS 7 2HB HIS 7 -7.453 -5.843 2.827 58 HB3 HIS 7 3HB HIS 7 -6.163 -5.720 1.649 59 HD2 HIS 7 HD2 HIS 7 -6.403 -3.019 4.441 60 HE1 HIS 7 HE1 HIS 7 -3.053 -5.496 5.287 61 HE2 HIS 7 HE2 HIS 7 -4.324 -3.405 5.986 62 H LYS 8 H LYS 8 -9.575 -5.149 1.528 63 HA LYS 8 HA LYS 8 -9.690 -6.089 -1.148 64 HB2 LYS 8 2HB LYS 8 -11.113 -6.779 0.758 65 HB3 LYS 8 3HB LYS 8 -11.910 -5.211 0.702 66 HG2 LYS 8 2HG LYS 8 -13.329 -6.629 -0.402 67 HG3 LYS 8 3HG LYS 8 -12.577 -5.763 -1.725 68 HD2 LYS 8 2HD LYS 8 -11.093 -7.738 -2.111 69 HD3 LYS 8 3HD LYS 8 -11.874 -8.568 -0.740 70 HE2 LYS 8 2HE LYS 8 -14.075 -8.370 -1.860 71 HE3 LYS 8 3HE LYS 8 -13.308 -7.575 -3.236 72 HZ1 LYS 8 1HZ LYS 8 -12.746 -10.364 -2.352 73 HZ2 LYS 8 2HZ LYS 8 -13.671 -9.930 -3.618 74 HZ3 LYS 8 3HZ LYS 8 -12.057 -9.619 -3.652 75 H ASP 9 H ASP 9 -11.131 -3.092 0.161 76 HA ASP 9 HA ASP 9 -12.207 -2.257 -2.364 77 HB2 ASP 9 2HB ASP 9 -12.701 -1.678 0.233 78 HB3 ASP 9 3HB ASP 9 -11.770 -0.254 -0.184 79 H ALA 10 H ALA 10 -9.181 -1.512 -0.747 80 HA ALA 10 HA ALA 10 -8.319 0.435 -2.784 81 HB1 ALA 10 1HB ALA 10 -6.831 -0.873 -0.471 82 HB2 ALA 10 2HB ALA 10 -6.289 0.527 -1.424 83 HB3 ALA 10 3HB ALA 10 -7.726 0.660 -0.395 84 H GLY 11 H GLY 11 -8.406 -2.962 -2.740 85 HA2 GLY 11 2HA GLY 11 -7.472 -4.605 -4.012 86 HA3 GLY 11 3HA GLY 11 -6.815 -3.381 -5.091 87 H TYR 12 H TYR 12 -6.017 -3.463 -1.672 88 HA TYR 12 HA TYR 12 -3.149 -3.596 -2.126 89 HB2 TYR 12 2HB TYR 12 -4.202 -2.287 -0.302 90 HB3 TYR 12 3HB TYR 12 -4.809 -3.777 0.401 91 HD1 TYR 12 HD1 TYR 12 -3.267 -5.414 1.480 92 HD2 TYR 12 HD2 TYR 12 -1.901 -1.573 0.067 93 HE1 TYR 12 HE1 TYR 12 -1.247 -5.605 2.906 94 HE2 TYR 12 HE2 TYR 12 0.080 -1.730 1.540 95 HH TYR 12 HH TYR 12 1.288 -3.088 3.027 96 H GLN 13 H GLN 13 -1.742 -5.304 -1.511 97 HA GLN 13 HA GLN 13 -3.015 -8.002 -1.440 98 HB2 GLN 13 2HB GLN 13 -1.323 -8.685 -3.186 99 HB3 GLN 13 3HB GLN 13 -2.690 -7.727 -3.689 100 HG2 GLN 13 2HG GLN 13 -1.174 -5.659 -3.694 101 HG3 GLN 13 3HG GLN 13 0.173 -6.762 -3.357 102 HE21 GLN 13 1HE2 GLN 13 1.313 -7.291 -5.031 103 HE22 GLN 13 2HE2 GLN 13 0.597 -7.599 -6.616 104 H GLU 14 H GLU 14 -1.773 -9.752 -0.976 105 HA GLU 14 HA GLU 14 -0.106 -9.347 1.362 106 HB2 GLU 14 2HB GLU 14 -0.321 -11.715 1.672 107 HB3 GLU 14 3HB GLU 14 -1.880 -10.953 1.377 108 HG2 GLU 14 2HG GLU 14 -0.399 -12.185 -0.927 109 HG3 GLU 14 3HG GLU 14 -1.210 -13.239 0.231 110 H SER 15 H SER 15 0.694 -9.549 -1.880 111 HA SER 15 HA SER 15 3.530 -9.904 -1.139 112 HB2 SER 15 2HB SER 15 3.803 -11.156 -3.456 113 HB3 SER 15 3HB SER 15 3.519 -11.982 -1.936 114 HG SER 15 HG SER 15 1.526 -11.291 -3.878 115 HA PRO 16 HA PRO 16 4.355 -6.389 -3.666 116 HB2 PRO 16 2HB PRO 16 6.776 -7.892 -4.655 117 HB3 PRO 16 3HB PRO 16 6.666 -6.221 -4.024 118 HG2 PRO 16 2HG PRO 16 7.617 -8.232 -2.466 119 HG3 PRO 16 3HG PRO 16 6.517 -6.992 -1.782 120 HD2 PRO 16 2HD PRO 16 5.840 -9.820 -2.653 121 HD3 PRO 16 3HD PRO 16 5.311 -8.881 -1.229 122 H ASN 17 H ASN 17 4.490 -5.621 -5.858 123 HA ASN 17 HA ASN 17 3.370 -7.523 -7.884 124 HB2 ASN 17 2HB ASN 17 1.778 -5.820 -7.174 125 HB3 ASN 17 3HB ASN 17 2.934 -4.559 -7.390 126 HD21 ASN 17 1HD2 ASN 17 1.363 -3.541 -8.897 127 HD22 ASN 17 2HD2 ASN 17 1.137 -4.239 -10.502 128 H GLY 18 H GLY 18 5.555 -8.204 -8.467 129 HA2 GLY 18 2HA GLY 18 7.358 -8.175 -9.907 130 HA3 GLY 18 3HA GLY 18 6.584 -6.823 -10.731 131 H ALA 19 H ALA 19 7.758 -5.082 -10.799 132 HA ALA 19 HA ALA 19 9.969 -4.536 -8.934 133 HB1 ALA 19 1HB ALA 19 9.051 -3.067 -11.439 134 HB2 ALA 19 2HB ALA 19 10.570 -2.804 -10.560 135 HB3 ALA 19 3HB ALA 19 10.282 -4.348 -11.378 136 H LYS 20 H LYS 20 6.786 -4.053 -8.463 137 HA LYS 20 HA LYS 20 7.175 -1.467 -7.025 138 HB2 LYS 20 2HB LYS 20 4.542 -2.629 -8.026 139 HB3 LYS 20 3HB LYS 20 4.849 -1.052 -7.302 140 HG2 LYS 20 2HG LYS 20 4.791 -0.399 -9.452 141 HG3 LYS 20 3HG LYS 20 6.511 -0.787 -9.366 142 HD2 LYS 20 2HD LYS 20 5.989 -3.005 -10.433 143 HD3 LYS 20 3HD LYS 20 4.274 -2.545 -10.475 144 HE2 LYS 20 2HE LYS 20 4.927 -0.507 -11.817 145 HE3 LYS 20 3HE LYS 20 6.593 -1.103 -11.848 146 HZ1 LYS 20 1HZ LYS 20 5.766 -3.100 -12.960 147 HZ2 LYS 20 2HZ LYS 20 4.229 -2.491 -12.973 148 HZ3 LYS 20 3HZ LYS 20 5.404 -1.739 -13.835 149 H ARG 21 H ARG 21 6.435 -1.227 -5.038 150 HA ARG 21 HA ARG 21 4.794 -3.298 -3.720 151 HB2 ARG 21 2HB ARG 21 6.030 -3.329 -1.700 152 HB3 ARG 21 3HB ARG 21 7.109 -3.785 -3.004 153 HG2 ARG 21 2HG ARG 21 8.111 -1.452 -2.933 154 HG3 ARG 21 3HG ARG 21 7.058 -1.091 -1.578 155 HD2 ARG 21 2HD ARG 21 8.048 -3.225 -0.466 156 HD3 ARG 21 3HD ARG 21 9.325 -3.098 -1.664 157 HE ARG 21 HE ARG 21 8.720 -1.290 0.600 158 HH11 ARG 21 1HH1 ARG 21 10.768 -1.648 -2.286 159 HH12 ARG 21 2HH1 ARG 21 11.999 -0.625 -1.589 160 HH21 ARG 21 1HH2 ARG 21 10.428 -0.091 1.390 161 HH22 ARG 21 2HH2 ARG 21 11.721 0.354 0.272 162 H CYS 22 H CYS 22 4.884 -1.568 -1.206 163 HA CYS 22 HA CYS 22 3.472 0.856 -2.188 164 HB2 CYS 22 2HB CYS 22 4.202 -0.078 0.612 165 HB3 CYS 22 3HB CYS 22 3.424 1.482 0.221 166 H GLY 23 H GLY 23 6.052 0.859 0.213 167 HA2 GLY 23 2HA GLY 23 7.903 2.248 0.432 168 HA3 GLY 23 3HA GLY 23 8.336 1.509 -1.107 169 H THR 24 H THR 24 8.566 2.852 -2.834 170 HA THR 24 HA THR 24 7.767 5.701 -2.612 171 HB THR 24 HB THR 24 9.429 4.433 -4.796 172 HG1 THR 24 HG1 THR 24 10.501 4.230 -2.866 173 HG21 THR 24 1HG2 THR 24 10.171 6.766 -5.111 174 HG22 THR 24 2HG2 THR 24 8.417 6.674 -5.310 175 HG23 THR 24 3HG2 THR 24 9.099 7.316 -3.806 176 H CYS 25 H CYS 25 5.499 4.917 -2.567 177 HA CYS 25 HA CYS 25 4.329 4.473 -5.249 178 HB2 CYS 25 2HB CYS 25 2.417 3.887 -4.194 179 HB3 CYS 25 3HB CYS 25 3.513 3.514 -2.901 180 H ARG 26 H ARG 26 2.049 6.087 -4.862 181 HA ARG 26 HA ARG 26 2.746 8.591 -6.063 182 HB2 ARG 26 2HB ARG 26 0.539 7.599 -6.329 183 HB3 ARG 26 3HB ARG 26 0.276 7.590 -4.586 184 HG2 ARG 26 2HG ARG 26 -1.044 9.340 -5.611 185 HG3 ARG 26 3HG ARG 26 0.158 10.028 -4.532 186 HD2 ARG 26 2HD ARG 26 1.592 10.443 -6.650 187 HD3 ARG 26 3HD ARG 26 0.141 10.044 -7.582 188 HE ARG 26 HE ARG 26 0.555 12.355 -5.718 189 HH11 ARG 26 1HH1 ARG 26 -1.599 11.065 -8.231 190 HH12 ARG 26 2HH1 ARG 26 -2.764 12.316 -7.893 191 HH21 ARG 26 1HH2 ARG 26 -0.847 13.852 -5.489 192 HH22 ARG 26 2HH2 ARG 26 -2.310 13.945 -6.468 193 H GLN 27 H GLN 27 2.385 7.694 -2.633 194 HA GLN 27 HA GLN 27 4.146 9.835 -1.954 195 HB2 GLN 27 2HB GLN 27 1.425 10.661 -2.033 196 HB3 GLN 27 3HB GLN 27 1.813 10.528 -0.321 197 HG2 GLN 27 2HG GLN 27 3.684 12.033 -0.536 198 HG3 GLN 27 3HG GLN 27 3.615 11.985 -2.293 199 HE21 GLN 27 1HE2 GLN 27 3.737 14.398 -1.199 200 HE22 GLN 27 2HE2 GLN 27 2.189 15.221 -1.356 201 H PHE 28 H PHE 28 2.227 7.144 -0.828 202 HA PHE 28 HA PHE 28 2.099 5.905 0.992 203 HB2 PHE 28 2HB PHE 28 4.207 5.229 0.066 204 HB3 PHE 28 3HB PHE 28 5.057 6.436 1.021 205 HD1 PHE 28 HD1 PHE 28 2.373 4.469 2.719 206 HD2 PHE 28 HD2 PHE 28 6.579 4.677 1.771 207 HE1 PHE 28 HE1 PHE 28 2.860 2.866 4.514 208 HE2 PHE 28 HE2 PHE 28 7.049 3.006 3.534 209 HZ PHE 28 HZ PHE 28 5.194 2.107 4.926 210 H ARG 29 H ARG 29 4.298 8.449 2.217 211 HA ARG 29 HA ARG 29 4.608 9.399 4.268 212 HB2 ARG 29 2HB ARG 29 1.663 9.509 3.961 213 HB3 ARG 29 3HB ARG 29 2.315 9.862 5.549 214 HG2 ARG 29 2HG ARG 29 2.030 11.870 4.234 215 HG3 ARG 29 3HG ARG 29 3.717 11.631 4.689 216 HD2 ARG 29 2HD ARG 29 4.299 10.946 2.425 217 HD3 ARG 29 3HD ARG 29 2.594 10.941 1.956 218 HE ARG 29 HE ARG 29 2.509 13.289 1.991 219 HH11 ARG 29 1HH1 ARG 29 5.846 12.284 2.703 220 HH12 ARG 29 2HH1 ARG 29 6.434 13.911 2.434 221 HH21 ARG 29 1HH2 ARG 29 3.402 15.319 1.776 222 HH22 ARG 29 2HH2 ARG 29 5.131 15.496 1.788 223 HA PRO 30 HA PRO 30 4.874 5.251 6.404 224 HB2 PRO 30 2HB PRO 30 7.635 5.628 6.891 225 HB3 PRO 30 3HB PRO 30 6.916 4.753 5.516 226 HG2 PRO 30 2HG PRO 30 7.887 7.606 5.682 227 HG3 PRO 30 3HG PRO 30 8.173 6.403 4.382 228 HD2 PRO 30 2HD PRO 30 6.309 8.294 4.128 229 HD3 PRO 30 3HD PRO 30 5.968 6.640 3.566 230 HA PRO 31 HA PRO 31 6.693 4.170 8.048 231 HB2 PRO 31 2HB PRO 31 6.971 3.174 10.505 232 HB3 PRO 31 3HB PRO 31 7.967 4.545 9.933 233 HG2 PRO 31 2HG PRO 31 5.422 4.677 11.602 234 HG3 PRO 31 3HG PRO 31 7.010 5.431 11.954 235 HD2 PRO 31 2HD PRO 31 5.024 6.823 10.703 236 HD3 PRO 31 3HD PRO 31 6.736 7.041 10.268 237 H SER 32 H SER 32 3.642 4.505 9.895 238 HA SER 32 HA SER 32 2.964 1.664 9.178 239 HB2 SER 32 2HB SER 32 3.774 1.848 11.444 240 HB3 SER 32 3HB SER 32 2.547 3.070 11.824 241 HG SER 32 HG SER 32 0.999 1.558 11.706 242 H SER 33 H SER 33 1.913 4.883 8.940 243 HA SER 33 HA SER 33 -0.870 4.066 8.221 244 HB2 SER 33 2HB SER 33 0.521 6.757 8.352 245 HB3 SER 33 3HB SER 33 -1.115 6.547 7.743 246 HG SER 33 HG SER 33 -1.836 6.023 9.757 247 H CYS 34 H CYS 34 -1.588 4.143 6.152 248 HA CYS 34 HA CYS 34 0.205 5.047 3.932 249 HB2 CYS 34 2HB CYS 34 -0.336 2.854 3.380 250 HB3 CYS 34 3HB CYS 34 -1.940 2.939 4.117 251 H ILE 35 H ILE 35 -0.640 6.355 2.334 252 HA ILE 35 HA ILE 35 -2.407 8.512 3.074 253 HB ILE 35 HB ILE 35 -2.291 9.067 0.626 254 HG12 ILE 35 2HG1 ILE 35 -0.069 6.984 0.507 255 HG13 ILE 35 3HG1 ILE 35 -1.709 6.634 -0.030 256 HG21 ILE 35 1HG2 ILE 35 -0.090 10.015 0.843 257 HG22 ILE 35 2HG2 ILE 35 -0.886 10.071 2.409 258 HG23 ILE 35 3HG2 ILE 35 0.355 8.839 2.098 259 HD11 ILE 35 1HD1 ILE 35 0.053 8.837 -1.134 260 HD12 ILE 35 2HD1 ILE 35 -0.339 7.296 -1.926 261 HD13 ILE 35 3HD1 ILE 35 -1.619 8.496 -1.632 262 H THR 36 H THR 36 -3.100 5.364 1.788 263 HA THR 36 HA THR 36 -5.870 6.200 0.961 264 HB THR 36 HB THR 36 -4.115 4.057 -0.292 265 HG1 THR 36 HG1 THR 36 -3.219 5.505 -1.368 266 HG21 THR 36 1HG2 THR 36 -6.640 5.454 -1.280 267 HG22 THR 36 2HG2 THR 36 -5.658 4.298 -2.211 268 HG23 THR 36 3HG2 THR 36 -6.516 3.756 -0.765 269 H VAL 37 H VAL 37 -3.904 3.558 2.370 270 HA VAL 37 HA VAL 37 -6.332 1.886 2.647 271 HB VAL 37 HB VAL 37 -3.415 1.094 2.969 272 HG11 VAL 37 1HG1 VAL 37 -5.949 -0.565 2.546 273 HG12 VAL 37 2HG1 VAL 37 -4.292 -1.195 2.410 274 HG13 VAL 37 3HG1 VAL 37 -4.859 -0.612 3.959 275 HG21 VAL 37 1HG2 VAL 37 -3.709 1.882 0.699 276 HG22 VAL 37 2HG2 VAL 37 -3.757 0.128 0.642 277 HG23 VAL 37 3HG2 VAL 37 -5.272 1.057 0.562 278 H GLU 38 H GLU 38 -6.818 0.694 4.485 279 HA GLU 38 HA GLU 38 -6.897 1.760 7.015 280 HB2 GLU 38 2HB GLU 38 -7.079 -0.969 5.816 281 HB3 GLU 38 3HB GLU 38 -6.853 -0.951 7.544 282 HG2 GLU 38 2HG GLU 38 -9.002 0.754 6.250 283 HG3 GLU 38 3HG GLU 38 -9.253 -0.946 6.656 284 H SER 39 H SER 39 -6.069 1.141 8.997 285 HA SER 39 HA SER 39 -3.079 0.976 9.041 286 HB2 SER 39 2HB SER 39 -4.122 3.067 9.782 287 HB3 SER 39 3HB SER 39 -4.977 2.163 11.043 288 HG SER 39 HG SER 39 -3.029 3.168 11.767 289 HA PRO 40 HA PRO 40 -1.349 0.543 10.473 290 HB2 PRO 40 2HB PRO 40 0.391 -1.312 11.364 291 HB3 PRO 40 3HB PRO 40 -0.614 -0.359 12.500 292 HG2 PRO 40 2HG PRO 40 -1.146 -3.161 11.450 293 HG3 PRO 40 3HG PRO 40 -1.167 -2.597 13.152 294 HD2 PRO 40 2HD PRO 40 -3.442 -2.786 11.624 295 HD3 PRO 40 3HD PRO 40 -3.236 -1.528 12.875 296 H ILE 41 H ILE 41 0.400 0.201 8.919 297 HA ILE 41 HA ILE 41 -0.207 -1.957 6.940 298 HB ILE 41 HB ILE 41 -0.998 0.506 6.484 299 HG12 ILE 41 2HG1 ILE 41 -0.603 0.207 4.020 300 HG13 ILE 41 3HG1 ILE 41 0.364 -1.220 4.382 301 HG21 ILE 41 1HG2 ILE 41 1.823 0.702 5.358 302 HG22 ILE 41 2HG2 ILE 41 0.535 1.915 5.306 303 HG23 ILE 41 3HG2 ILE 41 1.288 1.508 6.848 304 HD11 ILE 41 1HD1 ILE 41 -2.573 -0.817 5.116 305 HD12 ILE 41 2HD1 ILE 41 -1.993 -1.748 3.743 306 HD13 ILE 41 3HD1 ILE 41 -1.648 -2.309 5.384 307 H SER 42 H SER 42 1.313 -2.979 5.874 308 HA SER 42 HA SER 42 4.170 -2.501 6.545 309 HB2 SER 42 2HB SER 42 2.792 -4.856 5.217 310 HB3 SER 42 3HB SER 42 4.528 -4.740 5.598 311 HG SER 42 HG SER 42 3.167 -5.818 7.235 312 H GLU 43 H GLU 43 5.718 -2.059 4.998 313 HA GLU 43 HA GLU 43 4.721 -0.606 2.723 314 HB2 GLU 43 2HB GLU 43 7.046 0.036 2.352 315 HB3 GLU 43 3HB GLU 43 6.552 0.263 4.018 316 HG2 GLU 43 2HG GLU 43 7.694 -1.857 4.649 317 HG3 GLU 43 3HG GLU 43 8.229 -2.019 2.973 318 H ASN 44 H ASN 44 5.213 -3.859 2.911 319 HA ASN 44 HA ASN 44 6.225 -4.314 0.207 320 HB2 ASN 44 2HB ASN 44 6.033 -6.700 0.817 321 HB3 ASN 44 3HB ASN 44 7.023 -5.768 1.931 322 HD21 ASN 44 1HD2 ASN 44 6.742 -7.773 3.056 323 HD22 ASN 44 2HD2 ASN 44 5.515 -7.681 4.317 324 H GLY 45 H GLY 45 3.479 -2.976 0.814 325 HA2 GLY 45 2HA GLY 45 1.376 -4.695 0.025 326 HA3 GLY 45 3HA GLY 45 1.358 -2.942 0.077 327 H TRP 46 H TRP 46 1.927 -1.747 -1.747 328 HA TRP 46 HA TRP 46 1.466 -1.072 -3.865 329 HB2 TRP 46 2HB TRP 46 2.630 -2.996 -4.934 330 HB3 TRP 46 3HB TRP 46 1.177 -3.955 -4.752 331 HD1 TRP 46 HD1 TRP 46 2.657 -1.268 -6.932 332 HE1 TRP 46 HE1 TRP 46 1.188 -0.936 -9.023 333 HE3 TRP 46 HE3 TRP 46 -1.461 -3.917 -5.435 334 HZ2 TRP 46 HZ2 TRP 46 -1.517 -1.579 -9.827 335 HZ3 TRP 46 HZ3 TRP 46 -3.519 -3.901 -6.810 336 HH2 TRP 46 HH2 TRP 46 -3.542 -2.782 -9.034 337 H CYS 47 H CYS 47 -0.458 -0.292 -4.660 338 HA CYS 47 HA CYS 47 -2.942 -1.824 -4.255 339 HB2 CYS 47 2HB CYS 47 -4.024 -0.206 -2.939 340 HB3 CYS 47 3HB CYS 47 -2.411 -0.244 -2.255 341 H ARG 48 H ARG 48 -4.864 -0.579 -5.228 342 HA ARG 48 HA ARG 48 -4.258 -0.162 -8.020 343 HB2 ARG 48 2HB ARG 48 -6.863 0.007 -6.473 344 HB3 ARG 48 3HB ARG 48 -6.738 0.156 -8.233 345 HG2 ARG 48 2HG ARG 48 -5.701 -2.083 -8.384 346 HG3 ARG 48 3HG ARG 48 -5.793 -2.255 -6.633 347 HD2 ARG 48 2HD ARG 48 -7.652 -3.462 -7.419 348 HD3 ARG 48 3HD ARG 48 -8.332 -1.939 -6.861 349 HE ARG 48 HE ARG 48 -8.756 -1.283 -9.104 350 HH11 ARG 48 1HH1 ARG 48 -7.027 -4.381 -9.227 351 HH12 ARG 48 2HH1 ARG 48 -7.608 -4.639 -10.879 352 HH21 ARG 48 1HH2 ARG 48 -9.408 -1.832 -11.149 353 HH22 ARG 48 2HH2 ARG 48 -8.847 -3.346 -11.847 354 H LEU 49 H LEU 49 -3.978 2.112 -5.600 355 HA LEU 49 HA LEU 49 -4.619 4.429 -7.331 356 HB2 LEU 49 2HB LEU 49 -5.213 4.413 -4.966 357 HB3 LEU 49 3HB LEU 49 -3.529 4.248 -4.495 358 HG LEU 49 HG LEU 49 -4.163 6.586 -6.274 359 HD11 LEU 49 1HD1 LEU 49 -5.123 6.456 -3.394 360 HD12 LEU 49 2HD1 LEU 49 -5.026 7.925 -4.382 361 HD13 LEU 49 3HD1 LEU 49 -6.133 6.622 -4.846 362 HD21 LEU 49 1HD2 LEU 49 -2.655 7.749 -4.707 363 HD22 LEU 49 2HD2 LEU 49 -2.608 6.320 -3.655 364 HD23 LEU 49 3HD2 LEU 49 -1.896 6.253 -5.276 365 H TYR 50 H TYR 50 -1.910 2.370 -6.674 366 HA TYR 50 HA TYR 50 0.284 4.052 -7.054 367 HB2 TYR 50 2HB TYR 50 0.131 1.586 -6.387 368 HB3 TYR 50 3HB TYR 50 0.065 1.209 -8.098 369 HD1 TYR 50 HD1 TYR 50 2.107 2.049 -9.569 370 HD2 TYR 50 HD2 TYR 50 2.150 1.738 -5.265 371 HE1 TYR 50 HE1 TYR 50 4.577 2.060 -9.587 372 HE2 TYR 50 HE2 TYR 50 4.616 1.697 -5.289 373 HH TYR 50 HH TYR 50 6.478 1.561 -6.575 374 H ALA 51 H ALA 51 1.252 5.026 -8.708 375 HA ALA 51 HA ALA 51 0.176 4.816 -11.492 376 HB1 ALA 51 1HB ALA 51 1.376 7.191 -9.999 377 HB2 ALA 51 2HB ALA 51 0.791 7.203 -11.674 378 HB3 ALA 51 3HB ALA 51 -0.349 6.940 -10.346 379 H GLY 52 H GLY 52 1.827 5.511 -13.184 380 HA2 GLY 52 2HA GLY 52 3.757 3.503 -13.258 381 HA3 GLY 52 3HA GLY 52 3.643 4.850 -14.387 382 H LYS 53 H LYS 53 4.320 6.615 -11.855 383 HA LYS 53 HA LYS 53 6.785 7.415 -12.305 384 HB2 LYS 53 2HB LYS 53 4.852 8.114 -10.579 385 HB3 LYS 53 3HB LYS 53 5.849 7.237 -9.431 386 HG2 LYS 53 2HG LYS 53 6.594 9.425 -9.221 387 HG3 LYS 53 3HG LYS 53 7.805 8.736 -10.317 388 HD2 LYS 53 2HD LYS 53 6.464 9.674 -12.256 389 HD3 LYS 53 3HD LYS 53 5.383 10.442 -11.096 390 HE2 LYS 53 2HE LYS 53 8.379 10.961 -11.365 391 HE3 LYS 53 3HE LYS 53 7.101 12.000 -12.001 392 HZ1 LYS 53 1HZ LYS 53 7.640 11.440 -9.137 393 HZ2 LYS 53 2HZ LYS 53 7.868 12.863 -9.899 394 HZ3 LYS 53 3HZ LYS 53 6.339 12.322 -9.684 395 H ALA 54 H ALA 54 8.649 6.779 -12.183 396 HA ALA 54 HA ALA 54 9.779 4.914 -10.165 397 HB1 ALA 54 1HB ALA 54 9.883 4.394 -13.170 398 HB2 ALA 54 2HB ALA 54 10.787 3.510 -11.938 399 HB3 ALA 54 3HB ALA 54 9.018 3.427 -11.958 Start of MODEL 12 1 H1 VAL 1 1H VAL 1 -14.415 9.308 14.562 2 H2 VAL 1 2H VAL 1 -14.816 9.725 13.024 3 H3 VAL 1 3H VAL 1 -13.752 10.646 13.862 4 HA VAL 1 HA VAL 1 -12.616 9.342 12.228 5 HB VAL 1 HB VAL 1 -11.001 8.112 13.646 6 HG11 VAL 1 1HG1 VAL 1 -11.643 10.903 14.677 7 HG12 VAL 1 2HG1 VAL 1 -10.077 10.077 14.728 8 HG13 VAL 1 3HG1 VAL 1 -10.775 10.539 13.168 9 HG21 VAL 1 1HG2 VAL 1 -12.500 7.388 15.512 10 HG22 VAL 1 2HG2 VAL 1 -11.059 8.244 16.061 11 HG23 VAL 1 3HG2 VAL 1 -12.616 9.079 16.040 12 H THR 2 H THR 2 -12.485 7.539 11.019 13 HA THR 2 HA THR 2 -13.602 4.979 11.990 14 HB THR 2 HB THR 2 -15.348 6.401 10.862 15 HG1 THR 2 HG1 THR 2 -15.998 4.428 10.842 16 HG21 THR 2 1HG2 THR 2 -14.019 5.599 8.262 17 HG22 THR 2 2HG2 THR 2 -15.479 6.574 8.501 18 HG23 THR 2 3HG2 THR 2 -13.901 7.233 8.959 19 H LYS 3 H LYS 3 -13.285 3.242 10.210 20 HA LYS 3 HA LYS 3 -10.444 3.064 9.672 21 HB2 LYS 3 2HB LYS 3 -12.216 1.173 10.182 22 HB3 LYS 3 3HB LYS 3 -12.544 1.247 8.456 23 HG2 LYS 3 2HG LYS 3 -10.974 -0.489 8.708 24 HG3 LYS 3 3HG LYS 3 -10.003 0.859 8.111 25 HD2 LYS 3 2HD LYS 3 -9.284 1.339 10.483 26 HD3 LYS 3 3HD LYS 3 -10.278 -0.029 11.026 27 HE2 LYS 3 2HE LYS 3 -8.933 -1.526 9.510 28 HE3 LYS 3 3HE LYS 3 -7.885 -0.144 9.141 29 HZ1 LYS 3 1HZ LYS 3 -8.303 -1.354 11.814 30 HZ2 LYS 3 2HZ LYS 3 -6.934 -1.454 10.882 31 HZ3 LYS 3 3HZ LYS 3 -7.365 -0.032 11.545 32 H LYS 4 H LYS 4 -9.308 3.191 7.722 33 HA LYS 4 HA LYS 4 -10.537 4.649 5.480 34 HB2 LYS 4 2HB LYS 4 -7.752 3.493 5.909 35 HB3 LYS 4 3HB LYS 4 -8.270 4.413 4.488 36 HG2 LYS 4 2HG LYS 4 -9.157 6.119 6.353 37 HG3 LYS 4 3HG LYS 4 -7.840 5.418 7.267 38 HD2 LYS 4 2HD LYS 4 -6.234 6.493 6.027 39 HD3 LYS 4 3HD LYS 4 -7.092 6.269 4.487 40 HE2 LYS 4 2HE LYS 4 -8.686 8.009 5.014 41 HE3 LYS 4 3HE LYS 4 -8.036 8.179 6.646 42 HZ1 LYS 4 1HZ LYS 4 -6.045 9.076 5.783 43 HZ2 LYS 4 2HZ LYS 4 -6.449 8.775 4.207 44 HZ3 LYS 4 3HZ LYS 4 -7.278 9.903 5.055 45 H ALA 5 H ALA 5 -9.823 3.807 3.201 46 HA ALA 5 HA ALA 5 -11.825 1.926 2.628 47 HB1 ALA 5 1HB ALA 5 -9.471 2.754 0.880 48 HB2 ALA 5 2HB ALA 5 -10.980 1.998 0.321 49 HB3 ALA 5 3HB ALA 5 -11.017 3.625 1.030 50 H SER 6 H SER 6 -11.937 -0.218 2.227 51 HA SER 6 HA SER 6 -10.186 -1.712 3.816 52 HB2 SER 6 2HB SER 6 -11.591 -3.577 3.424 53 HB3 SER 6 3HB SER 6 -12.629 -2.142 3.396 54 HG SER 6 HG SER 6 -13.240 -3.120 1.605 55 H HIS 7 H HIS 7 -9.125 -3.714 3.360 56 HA HIS 7 HA HIS 7 -7.072 -3.801 1.475 57 HB2 HIS 7 2HB HIS 7 -7.088 -6.266 1.888 58 HB3 HIS 7 3HB HIS 7 -7.159 -5.313 3.361 59 HD2 HIS 7 HD2 HIS 7 -9.449 -5.391 4.807 60 HE1 HIS 7 HE1 HIS 7 -11.493 -8.338 2.505 61 HE2 HIS 7 HE2 HIS 7 -11.543 -6.947 4.654 62 H LYS 8 H LYS 8 -10.397 -4.881 1.004 63 HA LYS 8 HA LYS 8 -10.054 -5.956 -1.689 64 HB2 LYS 8 2HB LYS 8 -11.740 -6.816 -0.183 65 HB3 LYS 8 3HB LYS 8 -12.492 -5.229 -0.042 66 HG2 LYS 8 2HG LYS 8 -13.726 -6.649 -1.516 67 HG3 LYS 8 3HG LYS 8 -13.133 -5.269 -2.421 68 HD2 LYS 8 2HD LYS 8 -11.433 -6.634 -3.506 69 HD3 LYS 8 3HD LYS 8 -11.770 -7.996 -2.417 70 HE2 LYS 8 2HE LYS 8 -14.069 -8.165 -3.322 71 HE3 LYS 8 3HE LYS 8 -13.746 -6.813 -4.422 72 HZ1 LYS 8 1HZ LYS 8 -12.049 -8.146 -5.491 73 HZ2 LYS 8 2HZ LYS 8 -12.268 -9.388 -4.432 74 HZ3 LYS 8 3HZ LYS 8 -13.466 -8.981 -5.488 75 H ASP 9 H ASP 9 -11.737 -3.080 -0.443 76 HA ASP 9 HA ASP 9 -12.484 -1.875 -2.859 77 HB2 ASP 9 2HB ASP 9 -13.074 -1.395 -0.400 78 HB3 ASP 9 3HB ASP 9 -11.646 -0.382 -0.374 79 H ALA 10 H ALA 10 -9.482 -1.379 -1.010 80 HA ALA 10 HA ALA 10 -8.315 0.437 -2.983 81 HB1 ALA 10 1HB ALA 10 -6.454 0.487 -1.425 82 HB2 ALA 10 2HB ALA 10 -7.990 0.717 -0.559 83 HB3 ALA 10 3HB ALA 10 -7.151 -0.851 -0.487 84 H GLY 11 H GLY 11 -8.452 -3.005 -2.884 85 HA2 GLY 11 2HA GLY 11 -7.222 -4.658 -3.924 86 HA3 GLY 11 3HA GLY 11 -6.599 -3.407 -5.011 87 H TYR 12 H TYR 12 -6.129 -3.702 -1.484 88 HA TYR 12 HA TYR 12 -3.206 -3.369 -1.783 89 HB2 TYR 12 2HB TYR 12 -4.358 -1.960 -0.197 90 HB3 TYR 12 3HB TYR 12 -5.094 -3.347 0.579 91 HD1 TYR 12 HD1 TYR 12 -1.802 -1.632 0.010 92 HD2 TYR 12 HD2 TYR 12 -4.041 -4.451 2.382 93 HE1 TYR 12 HE1 TYR 12 -0.004 -1.619 1.719 94 HE2 TYR 12 HE2 TYR 12 -2.223 -4.465 4.076 95 HH TYR 12 HH TYR 12 -0.215 -3.664 4.675 96 H GLN 13 H GLN 13 -1.771 -5.002 -1.623 97 HA GLN 13 HA GLN 13 -2.984 -7.714 -1.329 98 HB2 GLN 13 2HB GLN 13 -1.642 -8.428 -3.214 99 HB3 GLN 13 3HB GLN 13 -2.737 -7.113 -3.604 100 HG2 GLN 13 2HG GLN 13 -0.815 -5.495 -3.509 101 HG3 GLN 13 3HG GLN 13 0.274 -6.853 -3.192 102 HE21 GLN 13 1HE2 GLN 13 1.555 -6.581 -4.994 103 HE22 GLN 13 2HE2 GLN 13 0.892 -7.105 -6.512 104 H GLU 14 H GLU 14 -1.738 -9.584 -0.887 105 HA GLU 14 HA GLU 14 0.403 -9.139 1.069 106 HB2 GLU 14 2HB GLU 14 -0.336 -11.126 1.951 107 HB3 GLU 14 3HB GLU 14 -1.813 -10.340 1.420 108 HG2 GLU 14 2HG GLU 14 -0.323 -12.634 0.235 109 HG3 GLU 14 3HG GLU 14 -1.996 -12.600 0.822 110 H SER 15 H SER 15 0.237 -9.754 -2.198 111 HA SER 15 HA SER 15 2.707 -11.410 -2.336 112 HB2 SER 15 2HB SER 15 1.759 -11.529 -4.861 113 HB3 SER 15 3HB SER 15 1.323 -12.676 -3.597 114 HG SER 15 HG SER 15 -0.577 -11.695 -3.306 115 HA PRO 16 HA PRO 16 4.792 -7.988 -4.054 116 HB2 PRO 16 2HB PRO 16 6.543 -9.016 -5.880 117 HB3 PRO 16 3HB PRO 16 6.664 -9.297 -4.116 118 HG2 PRO 16 2HG PRO 16 5.491 -11.129 -6.219 119 HG3 PRO 16 3HG PRO 16 6.593 -11.545 -4.879 120 HD2 PRO 16 2HD PRO 16 3.866 -11.879 -4.800 121 HD3 PRO 16 3HD PRO 16 4.813 -11.554 -3.329 122 H ASN 17 H ASN 17 4.978 -6.500 -5.787 123 HA ASN 17 HA ASN 17 3.781 -7.277 -8.394 124 HB2 ASN 17 2HB ASN 17 2.340 -5.539 -7.409 125 HB3 ASN 17 3HB ASN 17 3.729 -4.464 -7.254 126 HD21 ASN 17 1HD2 ASN 17 1.977 -3.204 -8.622 127 HD22 ASN 17 2HD2 ASN 17 2.193 -3.321 -10.346 128 H GLY 18 H GLY 18 6.081 -8.201 -8.423 129 HA2 GLY 18 2HA GLY 18 8.322 -8.148 -8.871 130 HA3 GLY 18 3HA GLY 18 7.996 -6.699 -9.830 131 H ALA 19 H ALA 19 9.103 -5.006 -9.237 132 HA ALA 19 HA ALA 19 10.157 -4.671 -6.481 133 HB1 ALA 19 1HB ALA 19 11.738 -3.126 -7.536 134 HB2 ALA 19 2HB ALA 19 11.745 -4.708 -8.335 135 HB3 ALA 19 3HB ALA 19 10.918 -3.333 -9.099 136 H LYS 20 H LYS 20 7.299 -3.691 -7.843 137 HA LYS 20 HA LYS 20 7.353 -0.900 -6.818 138 HB2 LYS 20 2HB LYS 20 5.142 -2.548 -8.098 139 HB3 LYS 20 3HB LYS 20 4.957 -0.902 -7.512 140 HG2 LYS 20 2HG LYS 20 5.727 -0.061 -9.419 141 HG3 LYS 20 3HG LYS 20 7.272 -0.882 -9.204 142 HD2 LYS 20 2HD LYS 20 6.381 -2.899 -10.310 143 HD3 LYS 20 3HD LYS 20 4.805 -2.094 -10.520 144 HE2 LYS 20 2HE LYS 20 5.788 -0.390 -11.953 145 HE3 LYS 20 3HE LYS 20 7.424 -0.945 -11.584 146 HZ1 LYS 20 1HZ LYS 20 5.406 -2.573 -13.022 147 HZ2 LYS 20 2HZ LYS 20 6.640 -1.764 -13.752 148 HZ3 LYS 20 3HZ LYS 20 6.959 -3.008 -12.740 149 H ARG 21 H ARG 21 6.580 -0.236 -4.904 150 HA ARG 21 HA ARG 21 4.752 -1.884 -3.300 151 HB2 ARG 21 2HB ARG 21 6.112 -2.295 -1.476 152 HB3 ARG 21 3HB ARG 21 7.183 -2.657 -2.820 153 HG2 ARG 21 2HG ARG 21 8.175 -0.324 -2.568 154 HG3 ARG 21 3HG ARG 21 7.142 -0.110 -1.150 155 HD2 ARG 21 2HD ARG 21 8.191 -2.185 -0.151 156 HD3 ARG 21 3HD ARG 21 9.373 -2.142 -1.446 157 HE ARG 21 HE ARG 21 9.044 -0.226 0.810 158 HH11 ARG 21 1HH1 ARG 21 10.774 -0.754 -2.229 159 HH12 ARG 21 2HH1 ARG 21 12.249 -0.083 -1.604 160 HH21 ARG 21 1HH2 ARG 21 10.888 0.734 1.479 161 HH22 ARG 21 2HH2 ARG 21 12.248 0.951 0.397 162 H CYS 22 H CYS 22 4.200 -0.677 -1.168 163 HA CYS 22 HA CYS 22 3.178 1.865 -1.444 164 HB2 CYS 22 2HB CYS 22 4.377 0.419 0.959 165 HB3 CYS 22 3HB CYS 22 3.306 1.838 1.056 166 H GLY 23 H GLY 23 6.410 1.235 0.027 167 HA2 GLY 23 2HA GLY 23 7.320 3.835 0.428 168 HA3 GLY 23 3HA GLY 23 8.358 2.491 -0.041 169 H THR 24 H THR 24 7.004 2.254 -2.755 170 HA THR 24 HA THR 24 8.279 4.606 -4.073 171 HB THR 24 HB THR 24 9.077 3.139 -5.797 172 HG1 THR 24 HG1 THR 24 8.919 0.971 -5.627 173 HG21 THR 24 1HG2 THR 24 9.755 1.921 -3.071 174 HG22 THR 24 2HG2 THR 24 10.739 1.859 -4.530 175 HG23 THR 24 3HG2 THR 24 10.470 3.413 -3.726 176 H CYS 25 H CYS 25 5.281 3.703 -3.438 177 HA CYS 25 HA CYS 25 4.036 3.464 -5.986 178 HB2 CYS 25 2HB CYS 25 2.011 3.477 -4.763 179 HB3 CYS 25 3HB CYS 25 3.176 2.650 -3.772 180 H ARG 26 H ARG 26 3.416 6.073 -3.761 181 HA ARG 26 HA ARG 26 3.795 8.251 -5.723 182 HB2 ARG 26 2HB ARG 26 1.427 8.965 -5.658 183 HB3 ARG 26 3HB ARG 26 1.656 7.406 -6.433 184 HG2 ARG 26 2HG ARG 26 0.934 6.307 -4.241 185 HG3 ARG 26 3HG ARG 26 0.504 7.924 -3.660 186 HD2 ARG 26 2HD ARG 26 -1.080 8.143 -5.574 187 HD3 ARG 26 3HD ARG 26 -0.621 6.533 -6.123 188 HE ARG 26 HE ARG 26 -1.655 5.545 -4.184 189 HH11 ARG 26 1HH1 ARG 26 -2.072 9.058 -3.971 190 HH12 ARG 26 2HH1 ARG 26 -3.515 8.834 -2.987 191 HH21 ARG 26 1HH2 ARG 26 -3.464 5.437 -2.956 192 HH22 ARG 26 2HH2 ARG 26 -4.120 6.891 -2.258 193 H GLN 27 H GLN 27 2.550 7.422 -2.439 194 HA GLN 27 HA GLN 27 3.663 9.990 -1.450 195 HB2 GLN 27 2HB GLN 27 1.289 10.220 -2.528 196 HB3 GLN 27 3HB GLN 27 0.704 9.416 -1.084 197 HG2 GLN 27 2HG GLN 27 0.447 11.848 -0.968 198 HG3 GLN 27 3HG GLN 27 1.537 11.310 0.294 199 HE21 GLN 27 1HE2 GLN 27 3.598 12.303 0.387 200 HE22 GLN 27 2HE2 GLN 27 4.209 13.323 -0.907 201 H PHE 28 H PHE 28 3.708 6.845 -0.718 202 HA PHE 28 HA PHE 28 2.752 6.642 1.963 203 HB2 PHE 28 2HB PHE 28 3.429 4.732 0.522 204 HB3 PHE 28 3HB PHE 28 5.106 5.233 0.676 205 HD1 PHE 28 HD1 PHE 28 2.152 4.199 2.754 206 HD2 PHE 28 HD2 PHE 28 6.446 4.394 2.448 207 HE1 PHE 28 HE1 PHE 28 2.366 2.895 4.855 208 HE2 PHE 28 HE2 PHE 28 6.653 3.038 4.515 209 HZ PHE 28 HZ PHE 28 4.618 2.289 5.725 210 H ARG 29 H ARG 29 3.654 6.963 3.939 211 HA ARG 29 HA ARG 29 6.416 8.077 4.146 212 HB2 ARG 29 2HB ARG 29 4.772 9.872 4.399 213 HB3 ARG 29 3HB ARG 29 3.939 8.976 5.651 214 HG2 ARG 29 2HG ARG 29 5.263 10.673 6.692 215 HG3 ARG 29 3HG ARG 29 6.004 9.118 7.086 216 HD2 ARG 29 2HD ARG 29 7.693 9.470 5.304 217 HD3 ARG 29 3HD ARG 29 6.903 10.989 4.849 218 HE ARG 29 HE ARG 29 7.701 10.927 7.662 219 HH11 ARG 29 1HH1 ARG 29 8.974 11.620 4.411 220 HH12 ARG 29 2HH1 ARG 29 10.253 12.590 5.110 221 HH21 ARG 29 1HH2 ARG 29 9.284 12.143 8.365 222 HH22 ARG 29 2HH2 ARG 29 10.483 12.828 7.278 223 HA PRO 30 HA PRO 30 6.585 4.383 6.753 224 HB2 PRO 30 2HB PRO 30 9.357 5.407 7.317 225 HB3 PRO 30 3HB PRO 30 8.836 3.760 6.857 226 HG2 PRO 30 2HG PRO 30 10.016 5.401 5.043 227 HG3 PRO 30 3HG PRO 30 8.623 4.375 4.569 228 HD2 PRO 30 2HD PRO 30 8.627 7.302 5.341 229 HD3 PRO 30 3HD PRO 30 7.822 6.497 3.954 230 HA PRO 31 HA PRO 31 7.351 3.133 8.619 231 HB2 PRO 31 2HB PRO 31 6.300 2.110 10.893 232 HB3 PRO 31 3HB PRO 31 7.873 2.964 10.862 233 HG2 PRO 31 2HG PRO 31 5.146 4.130 11.557 234 HG3 PRO 31 3HG PRO 31 6.655 4.217 12.521 235 HD2 PRO 31 2HD PRO 31 5.950 6.235 10.886 236 HD3 PRO 31 3HD PRO 31 7.654 5.732 11.016 237 H SER 32 H SER 32 4.143 4.666 9.158 238 HA SER 32 HA SER 32 2.899 2.327 7.771 239 HB2 SER 32 2HB SER 32 3.007 2.128 10.361 240 HB3 SER 32 3HB SER 32 1.728 3.343 10.358 241 HG SER 32 HG SER 32 1.729 0.782 9.088 242 H SER 33 H SER 33 3.158 5.454 7.245 243 HA SER 33 HA SER 33 0.245 6.057 7.113 244 HB2 SER 33 2HB SER 33 2.663 7.826 6.838 245 HB3 SER 33 3HB SER 33 0.979 8.357 6.638 246 HG SER 33 HG SER 33 1.993 8.625 8.753 247 H CYS 34 H CYS 34 -0.262 4.680 5.462 248 HA CYS 34 HA CYS 34 0.113 5.821 2.719 249 HB2 CYS 34 2HB CYS 34 -0.235 3.382 2.738 250 HB3 CYS 34 3HB CYS 34 -1.713 3.593 3.714 251 H ILE 35 H ILE 35 -1.666 6.948 1.773 252 HA ILE 35 HA ILE 35 -3.231 8.465 3.802 253 HB ILE 35 HB ILE 35 -3.668 10.095 2.082 254 HG12 ILE 35 2HG1 ILE 35 -1.776 8.488 0.294 255 HG13 ILE 35 3HG1 ILE 35 -3.528 8.609 0.079 256 HG21 ILE 35 1HG2 ILE 35 -0.688 9.513 2.355 257 HG22 ILE 35 2HG2 ILE 35 -1.475 11.096 2.184 258 HG23 ILE 35 3HG2 ILE 35 -1.700 10.166 3.658 259 HD11 ILE 35 1HD1 ILE 35 -1.553 10.918 -0.065 260 HD12 ILE 35 2HD1 ILE 35 -2.432 10.183 -1.411 261 HD13 ILE 35 3HD1 ILE 35 -3.321 11.071 -0.158 262 H THR 36 H THR 36 -3.790 5.883 1.608 263 HA THR 36 HA THR 36 -6.708 6.583 1.442 264 HB THR 36 HB THR 36 -5.065 4.796 -0.371 265 HG1 THR 36 HG1 THR 36 -5.988 7.474 -0.633 266 HG21 THR 36 1HG2 THR 36 -6.956 5.118 -1.949 267 HG22 THR 36 2HG2 THR 36 -7.451 4.228 -0.512 268 HG23 THR 36 3HG2 THR 36 -7.876 5.948 -0.675 269 H VAL 37 H VAL 37 -4.545 3.882 2.374 270 HA VAL 37 HA VAL 37 -6.921 2.128 2.461 271 HB VAL 37 HB VAL 37 -5.570 0.289 2.171 272 HG11 VAL 37 1HG1 VAL 37 -4.116 2.404 0.538 273 HG12 VAL 37 2HG1 VAL 37 -4.451 0.723 0.113 274 HG13 VAL 37 3HG1 VAL 37 -5.784 1.902 0.204 275 HG21 VAL 37 1HG2 VAL 37 -3.771 0.681 3.778 276 HG22 VAL 37 2HG2 VAL 37 -3.101 0.303 2.188 277 HG23 VAL 37 3HG2 VAL 37 -3.116 1.983 2.751 278 H GLU 38 H GLU 38 -7.270 0.520 3.994 279 HA GLU 38 HA GLU 38 -7.491 1.255 6.654 280 HB2 GLU 38 2HB GLU 38 -7.871 -1.204 7.069 281 HB3 GLU 38 3HB GLU 38 -8.815 -0.544 5.743 282 HG2 GLU 38 2HG GLU 38 -7.451 -1.590 4.096 283 HG3 GLU 38 3HG GLU 38 -6.190 -1.953 5.264 284 H SER 39 H SER 39 -6.324 1.192 8.524 285 HA SER 39 HA SER 39 -3.523 0.500 8.489 286 HB2 SER 39 2HB SER 39 -3.605 1.081 10.891 287 HB3 SER 39 3HB SER 39 -4.315 2.325 9.851 288 HG SER 39 HG SER 39 -5.589 1.913 11.680 289 HA PRO 40 HA PRO 40 -1.886 -0.139 9.973 290 HB2 PRO 40 2HB PRO 40 -0.032 -2.040 10.450 291 HB3 PRO 40 3HB PRO 40 -1.170 -1.509 11.718 292 HG2 PRO 40 2HG PRO 40 -1.362 -3.962 9.941 293 HG3 PRO 40 3HG PRO 40 -1.604 -3.858 11.713 294 HD2 PRO 40 2HD PRO 40 -3.670 -3.802 9.867 295 HD3 PRO 40 3HD PRO 40 -3.756 -3.004 11.459 296 H ILE 41 H ILE 41 -0.301 0.316 8.452 297 HA ILE 41 HA ILE 41 -0.181 -1.398 6.004 298 HB ILE 41 HB ILE 41 0.571 1.532 6.259 299 HG12 ILE 41 2HG1 ILE 41 -1.478 1.457 4.460 300 HG13 ILE 41 3HG1 ILE 41 -1.981 0.127 5.483 301 HG21 ILE 41 1HG2 ILE 41 0.410 -0.329 3.845 302 HG22 ILE 41 2HG2 ILE 41 0.686 1.412 3.767 303 HG23 ILE 41 3HG2 ILE 41 1.891 0.380 4.522 304 HD11 ILE 41 1HD1 ILE 41 -1.501 3.032 6.279 305 HD12 ILE 41 2HD1 ILE 41 -3.045 2.170 6.230 306 HD13 ILE 41 3HD1 ILE 41 -1.844 1.755 7.463 307 H SER 42 H SER 42 1.720 -2.198 5.300 308 HA SER 42 HA SER 42 4.241 -1.452 6.682 309 HB2 SER 42 2HB SER 42 3.513 -4.298 5.916 310 HB3 SER 42 3HB SER 42 5.062 -3.733 6.571 311 HG SER 42 HG SER 42 2.716 -4.301 7.836 312 H GLU 43 H GLU 43 6.082 -1.375 5.306 313 HA GLU 43 HA GLU 43 5.177 -0.104 2.997 314 HB2 GLU 43 2HB GLU 43 7.459 0.479 2.574 315 HB3 GLU 43 3HB GLU 43 7.121 0.603 4.303 316 HG2 GLU 43 2HG GLU 43 8.283 -1.461 4.792 317 HG3 GLU 43 3HG GLU 43 8.423 -1.827 3.086 318 H ASN 44 H ASN 44 5.932 -3.434 3.150 319 HA ASN 44 HA ASN 44 6.555 -3.685 0.285 320 HB2 ASN 44 2HB ASN 44 6.972 -6.004 0.744 321 HB3 ASN 44 3HB ASN 44 7.785 -5.056 1.978 322 HD21 ASN 44 1HD2 ASN 44 7.902 -7.191 2.889 323 HD22 ASN 44 2HD2 ASN 44 6.623 -7.524 4.044 324 H GLY 45 H GLY 45 3.695 -3.163 1.842 325 HA2 GLY 45 2HA GLY 45 1.827 -5.036 1.009 326 HA3 GLY 45 3HA GLY 45 1.524 -3.320 1.208 327 H TRP 46 H TRP 46 2.089 -1.921 -0.636 328 HA TRP 46 HA TRP 46 1.642 -1.157 -2.677 329 HB2 TRP 46 2HB TRP 46 3.053 -3.158 -3.654 330 HB3 TRP 46 3HB TRP 46 1.497 -3.860 -3.969 331 HD1 TRP 46 HD1 TRP 46 3.248 -0.472 -4.777 332 HE1 TRP 46 HE1 TRP 46 2.580 0.252 -7.145 333 HE3 TRP 46 HE3 TRP 46 -0.018 -4.245 -5.883 334 HZ2 TRP 46 HZ2 TRP 46 0.637 -0.536 -9.128 335 HZ3 TRP 46 HZ3 TRP 46 -1.202 -4.283 -8.057 336 HH2 TRP 46 HH2 TRP 46 -0.924 -2.407 -9.670 337 H CYS 47 H CYS 47 -0.164 -0.597 -3.803 338 HA CYS 47 HA CYS 47 -2.524 -2.354 -3.765 339 HB2 CYS 47 2HB CYS 47 -3.985 -0.671 -2.922 340 HB3 CYS 47 3HB CYS 47 -2.580 -0.563 -1.860 341 H ARG 48 H ARG 48 -4.129 -1.600 -5.418 342 HA ARG 48 HA ARG 48 -2.675 -0.962 -7.878 343 HB2 ARG 48 2HB ARG 48 -5.548 -1.813 -7.388 344 HB3 ARG 48 3HB ARG 48 -4.816 -1.596 -8.993 345 HG2 ARG 48 2HG ARG 48 -3.197 -3.315 -8.625 346 HG3 ARG 48 3HG ARG 48 -3.599 -3.440 -6.909 347 HD2 ARG 48 2HD ARG 48 -5.969 -4.106 -7.782 348 HD3 ARG 48 3HD ARG 48 -5.120 -4.489 -9.282 349 HE ARG 48 HE ARG 48 -3.610 -5.969 -7.932 350 HH11 ARG 48 1HH1 ARG 48 -6.877 -5.441 -6.704 351 HH12 ARG 48 2HH1 ARG 48 -6.729 -6.761 -5.578 352 HH21 ARG 48 1HH2 ARG 48 -3.366 -7.270 -6.155 353 HH22 ARG 48 2HH2 ARG 48 -4.761 -7.655 -5.174 354 H LEU 49 H LEU 49 -2.683 1.118 -6.221 355 HA LEU 49 HA LEU 49 -2.964 3.331 -5.934 356 HB2 LEU 49 2HB LEU 49 -2.413 3.222 -8.902 357 HB3 LEU 49 3HB LEU 49 -2.007 4.522 -7.784 358 HG LEU 49 HG LEU 49 -0.815 1.720 -7.862 359 HD11 LEU 49 1HD1 LEU 49 0.373 4.493 -8.256 360 HD12 LEU 49 2HD1 LEU 49 1.256 2.946 -8.329 361 HD13 LEU 49 3HD1 LEU 49 0.012 3.314 -9.534 362 HD21 LEU 49 1HD2 LEU 49 -0.971 2.428 -5.473 363 HD22 LEU 49 2HD2 LEU 49 0.672 2.381 -6.065 364 HD23 LEU 49 3HD2 LEU 49 -0.153 3.957 -5.886 365 H TYR 50 H TYR 50 -4.729 4.200 -5.269 366 HA TYR 50 HA TYR 50 -7.095 4.731 -6.849 367 HB2 TYR 50 2HB TYR 50 -7.092 4.262 -4.439 368 HB3 TYR 50 3HB TYR 50 -6.112 5.690 -4.140 369 HD1 TYR 50 HD1 TYR 50 -9.420 4.723 -5.690 370 HD2 TYR 50 HD2 TYR 50 -7.190 7.623 -3.393 371 HE1 TYR 50 HE1 TYR 50 -11.502 6.037 -5.311 372 HE2 TYR 50 HE2 TYR 50 -9.270 8.925 -3.016 373 HH TYR 50 HH TYR 50 -11.490 9.016 -3.318 374 H ALA 51 H ALA 51 -4.092 6.325 -6.816 375 HA ALA 51 HA ALA 51 -5.211 8.601 -8.278 376 HB1 ALA 51 1HB ALA 51 -5.022 9.361 -5.886 377 HB2 ALA 51 2HB ALA 51 -3.275 9.026 -5.977 378 HB3 ALA 51 3HB ALA 51 -3.990 10.275 -7.000 379 H GLY 52 H GLY 52 -3.533 9.848 -9.418 380 HA2 GLY 52 2HA GLY 52 -1.895 8.082 -10.941 381 HA3 GLY 52 3HA GLY 52 -2.073 9.799 -11.160 382 H LYS 53 H LYS 53 0.256 9.013 -11.768 383 HA LYS 53 HA LYS 53 2.212 9.623 -9.599 384 HB2 LYS 53 2HB LYS 53 2.416 8.475 -12.399 385 HB3 LYS 53 3HB LYS 53 3.754 9.410 -11.757 386 HG2 LYS 53 2HG LYS 53 4.074 7.010 -11.479 387 HG3 LYS 53 3HG LYS 53 4.128 7.890 -9.949 388 HD2 LYS 53 2HD LYS 53 1.997 7.080 -9.268 389 HD3 LYS 53 3HD LYS 53 1.609 6.467 -10.878 390 HE2 LYS 53 2HE LYS 53 3.936 5.409 -9.196 391 HE3 LYS 53 3HE LYS 53 2.305 4.763 -9.100 392 HZ1 LYS 53 1HZ LYS 53 3.350 3.413 -10.659 393 HZ2 LYS 53 2HZ LYS 53 2.493 4.413 -11.601 394 HZ3 LYS 53 3HZ LYS 53 4.120 4.630 -11.428 395 H ALA 54 H ALA 54 2.685 11.633 -9.348 396 HA ALA 54 HA ALA 54 1.862 13.822 -11.080 397 HB1 ALA 54 1HB ALA 54 3.789 13.782 -8.713 398 HB2 ALA 54 2HB ALA 54 3.071 15.225 -9.459 399 HB3 ALA 54 3HB ALA 54 2.035 14.054 -8.625 Start of MODEL 13 1 H1 VAL 1 1H VAL 1 -10.529 7.120 16.481 2 H2 VAL 1 2H VAL 1 -10.905 5.666 15.824 3 H3 VAL 1 3H VAL 1 -12.095 6.743 16.154 4 HA VAL 1 HA VAL 1 -11.413 8.235 14.476 5 HB VAL 1 HB VAL 1 -9.565 7.812 13.013 6 HG11 VAL 1 1HG1 VAL 1 -8.397 7.657 15.801 7 HG12 VAL 1 2HG1 VAL 1 -7.826 8.562 14.398 8 HG13 VAL 1 3HG1 VAL 1 -9.298 9.080 15.237 9 HG21 VAL 1 1HG2 VAL 1 -9.256 5.393 13.047 10 HG22 VAL 1 2HG2 VAL 1 -7.767 6.183 13.543 11 HG23 VAL 1 3HG2 VAL 1 -8.805 5.434 14.769 12 H THR 2 H THR 2 -12.397 8.090 12.408 13 HA THR 2 HA THR 2 -13.786 5.593 11.820 14 HB THR 2 HB THR 2 -13.591 8.110 10.125 15 HG1 THR 2 HG1 THR 2 -15.688 8.441 11.062 16 HG21 THR 2 1HG2 THR 2 -15.607 5.811 10.136 17 HG22 THR 2 2HG2 THR 2 -15.748 7.305 9.185 18 HG23 THR 2 3HG2 THR 2 -14.448 6.176 8.836 19 H LYS 3 H LYS 3 -13.317 4.033 10.356 20 HA LYS 3 HA LYS 3 -10.624 3.656 9.496 21 HB2 LYS 3 2HB LYS 3 -12.446 1.955 10.121 22 HB3 LYS 3 3HB LYS 3 -13.100 2.215 8.508 23 HG2 LYS 3 2HG LYS 3 -10.698 1.518 7.700 24 HG3 LYS 3 3HG LYS 3 -10.454 0.958 9.349 25 HD2 LYS 3 2HD LYS 3 -12.261 -0.629 9.161 26 HD3 LYS 3 3HD LYS 3 -12.857 0.125 7.666 27 HE2 LYS 3 2HE LYS 3 -10.806 -0.489 6.479 28 HE3 LYS 3 3HE LYS 3 -10.162 -1.251 7.952 29 HZ1 LYS 3 1HZ LYS 3 -12.020 -2.787 7.885 30 HZ2 LYS 3 2HZ LYS 3 -12.610 -2.094 6.511 31 HZ3 LYS 3 3HZ LYS 3 -11.153 -2.896 6.497 32 H LYS 4 H LYS 4 -9.681 3.553 7.454 33 HA LYS 4 HA LYS 4 -11.045 4.863 5.142 34 HB2 LYS 4 2HB LYS 4 -8.149 4.015 5.575 35 HB3 LYS 4 3HB LYS 4 -8.778 4.790 4.115 36 HG2 LYS 4 2HG LYS 4 -9.793 6.461 6.021 37 HG3 LYS 4 3HG LYS 4 -8.306 5.958 6.813 38 HD2 LYS 4 2HD LYS 4 -7.689 7.919 5.676 39 HD3 LYS 4 3HD LYS 4 -7.156 6.645 4.559 40 HE2 LYS 4 2HE LYS 4 -9.352 6.879 3.341 41 HE3 LYS 4 3HE LYS 4 -9.813 8.175 4.452 42 HZ1 LYS 4 1HZ LYS 4 -7.900 9.462 3.610 43 HZ2 LYS 4 2HZ LYS 4 -7.523 8.234 2.577 44 HZ3 LYS 4 3HZ LYS 4 -8.926 9.056 2.401 45 H ALA 5 H ALA 5 -10.212 3.815 2.971 46 HA ALA 5 HA ALA 5 -12.037 1.678 2.625 47 HB1 ALA 5 1HB ALA 5 -11.352 3.249 0.840 48 HB2 ALA 5 2HB ALA 5 -9.736 2.502 0.807 49 HB3 ALA 5 3HB ALA 5 -11.163 1.560 0.330 50 H SER 6 H SER 6 -11.915 -0.545 2.542 51 HA SER 6 HA SER 6 -9.976 -1.703 4.170 52 HB2 SER 6 2HB SER 6 -11.050 -3.802 3.826 53 HB3 SER 6 3HB SER 6 -12.298 -2.549 3.862 54 HG SER 6 HG SER 6 -12.689 -3.946 2.145 55 H HIS 7 H HIS 7 -8.527 -3.442 3.898 56 HA HIS 7 HA HIS 7 -6.600 -3.513 1.899 57 HB2 HIS 7 2HB HIS 7 -7.812 -5.771 3.522 58 HB3 HIS 7 3HB HIS 7 -6.592 -6.110 2.307 59 HD2 HIS 7 HD2 HIS 7 -5.918 -2.879 4.149 60 HE1 HIS 7 HE1 HIS 7 -3.365 -5.783 5.923 61 HE2 HIS 7 HE2 HIS 7 -3.952 -3.305 5.819 62 H LYS 8 H LYS 8 -9.670 -5.302 1.599 63 HA LYS 8 HA LYS 8 -9.186 -6.236 -1.110 64 HB2 LYS 8 2HB LYS 8 -10.735 -7.352 0.371 65 HB3 LYS 8 3HB LYS 8 -11.738 -5.901 0.466 66 HG2 LYS 8 2HG LYS 8 -12.745 -7.423 -0.997 67 HG3 LYS 8 3HG LYS 8 -12.219 -6.073 -1.970 68 HD2 LYS 8 2HD LYS 8 -10.327 -7.383 -2.846 69 HD3 LYS 8 3HD LYS 8 -10.738 -8.738 -1.770 70 HE2 LYS 8 2HE LYS 8 -12.892 -9.041 -2.889 71 HE3 LYS 8 3HE LYS 8 -12.617 -7.615 -3.900 72 HZ1 LYS 8 1HZ LYS 8 -10.821 -8.735 -4.988 73 HZ2 LYS 8 2HZ LYS 8 -10.906 -10.039 -3.975 74 HZ3 LYS 8 3HZ LYS 8 -12.114 -9.730 -5.052 75 H ASP 9 H ASP 9 -11.266 -3.595 0.081 76 HA ASP 9 HA ASP 9 -12.241 -2.669 -2.350 77 HB2 ASP 9 2HB ASP 9 -12.782 -2.048 0.094 78 HB3 ASP 9 3HB ASP 9 -11.568 -0.798 -0.087 79 H ALA 10 H ALA 10 -9.256 -1.548 -0.729 80 HA ALA 10 HA ALA 10 -8.544 0.216 -2.968 81 HB1 ALA 10 1HB ALA 10 -8.144 0.789 -0.586 82 HB2 ALA 10 2HB ALA 10 -6.970 -0.542 -0.487 83 HB3 ALA 10 3HB ALA 10 -6.673 0.837 -1.575 84 H GLY 11 H GLY 11 -8.274 -3.098 -2.761 85 HA2 GLY 11 2HA GLY 11 -7.211 -4.607 -4.102 86 HA3 GLY 11 3HA GLY 11 -6.463 -3.281 -4.991 87 H TYR 12 H TYR 12 -5.971 -3.720 -1.518 88 HA TYR 12 HA TYR 12 -3.067 -3.715 -1.821 89 HB2 TYR 12 2HB TYR 12 -4.343 -2.481 -0.049 90 HB3 TYR 12 3HB TYR 12 -4.828 -4.029 0.634 91 HD1 TYR 12 HD1 TYR 12 -1.887 -1.854 -0.113 92 HD2 TYR 12 HD2 TYR 12 -3.390 -5.226 2.134 93 HE1 TYR 12 HE1 TYR 12 0.180 -1.881 1.237 94 HE2 TYR 12 HE2 TYR 12 -1.275 -5.272 3.456 95 HH TYR 12 HH TYR 12 1.411 -2.999 2.822 96 H GLN 13 H GLN 13 -1.643 -5.357 -0.901 97 HA GLN 13 HA GLN 13 -2.703 -8.135 -1.048 98 HB2 GLN 13 2HB GLN 13 -0.918 -8.600 -2.798 99 HB3 GLN 13 3HB GLN 13 -2.308 -7.671 -3.317 100 HG2 GLN 13 2HG GLN 13 -0.995 -5.560 -3.146 101 HG3 GLN 13 3HG GLN 13 0.412 -6.495 -2.619 102 HE21 GLN 13 1HE2 GLN 13 1.354 -5.321 -4.362 103 HE22 GLN 13 2HE2 GLN 13 1.397 -6.237 -5.834 104 H GLU 14 H GLU 14 -1.144 -9.818 -0.721 105 HA GLU 14 HA GLU 14 0.528 -9.245 1.611 106 HB2 GLU 14 2HB GLU 14 0.607 -11.588 1.962 107 HB3 GLU 14 3HB GLU 14 -1.033 -11.095 1.558 108 HG2 GLU 14 2HG GLU 14 -0.543 -11.893 -0.838 109 HG3 GLU 14 3HG GLU 14 0.926 -12.627 -0.186 110 H SER 15 H SER 15 1.249 -9.315 -1.708 111 HA SER 15 HA SER 15 4.076 -9.002 -1.073 112 HB2 SER 15 2HB SER 15 4.649 -10.540 -3.114 113 HB3 SER 15 3HB SER 15 4.419 -11.234 -1.522 114 HG SER 15 HG SER 15 3.280 -12.441 -3.033 115 HA PRO 16 HA PRO 16 4.151 -5.798 -3.998 116 HB2 PRO 16 2HB PRO 16 6.490 -7.202 -5.319 117 HB3 PRO 16 3HB PRO 16 6.327 -5.474 -4.891 118 HG2 PRO 16 2HG PRO 16 7.730 -7.134 -3.286 119 HG3 PRO 16 3HG PRO 16 6.597 -5.951 -2.563 120 HD2 PRO 16 2HD PRO 16 6.180 -8.921 -3.003 121 HD3 PRO 16 3HD PRO 16 5.721 -7.879 -1.628 122 H ASN 17 H ASN 17 3.651 -5.129 -6.145 123 HA ASN 17 HA ASN 17 2.413 -7.201 -7.867 124 HB2 ASN 17 2HB ASN 17 1.028 -5.235 -7.387 125 HB3 ASN 17 3HB ASN 17 2.275 -4.161 -7.980 126 HD21 ASN 17 1HD2 ASN 17 -0.098 -3.773 -9.075 127 HD22 ASN 17 2HD2 ASN 17 -0.303 -4.581 -10.613 128 H GLY 18 H GLY 18 4.526 -8.132 -8.333 129 HA2 GLY 18 2HA GLY 18 6.584 -8.370 -9.338 130 HA3 GLY 18 3HA GLY 18 5.946 -7.363 -10.640 131 H ALA 19 H ALA 19 6.931 -5.475 -10.976 132 HA ALA 19 HA ALA 19 9.213 -4.632 -9.485 133 HB1 ALA 19 1HB ALA 19 7.524 -3.179 -11.571 134 HB2 ALA 19 2HB ALA 19 9.155 -2.716 -11.052 135 HB3 ALA 19 3HB ALA 19 8.901 -4.257 -11.893 136 H LYS 20 H LYS 20 5.854 -3.908 -8.834 137 HA LYS 20 HA LYS 20 6.556 -1.339 -7.473 138 HB2 LYS 20 2HB LYS 20 3.802 -2.312 -8.310 139 HB3 LYS 20 3HB LYS 20 4.265 -0.733 -7.689 140 HG2 LYS 20 2HG LYS 20 4.163 -0.187 -9.856 141 HG3 LYS 20 3HG LYS 20 5.857 -0.679 -9.822 142 HD2 LYS 20 2HD LYS 20 5.157 -2.935 -10.709 143 HD3 LYS 20 3HD LYS 20 3.485 -2.385 -10.754 144 HE2 LYS 20 2HE LYS 20 5.809 -1.162 -12.318 145 HE3 LYS 20 3HE LYS 20 4.635 -2.317 -12.964 146 HZ1 LYS 20 1HZ LYS 20 4.002 0.423 -12.008 147 HZ2 LYS 20 2HZ LYS 20 4.015 -0.088 -13.560 148 HZ3 LYS 20 3HZ LYS 20 2.886 -0.673 -12.509 149 H ARG 21 H ARG 21 6.447 -1.083 -5.358 150 HA ARG 21 HA ARG 21 4.636 -2.797 -3.697 151 HB2 ARG 21 2HB ARG 21 6.225 -3.293 -2.071 152 HB3 ARG 21 3HB ARG 21 7.058 -3.578 -3.595 153 HG2 ARG 21 2HG ARG 21 8.035 -1.220 -3.352 154 HG3 ARG 21 3HG ARG 21 7.370 -1.211 -1.701 155 HD2 ARG 21 2HD ARG 21 9.205 -3.427 -2.740 156 HD3 ARG 21 3HD ARG 21 9.860 -1.929 -2.096 157 HE ARG 21 HE ARG 21 8.347 -2.559 -0.010 158 HH11 ARG 21 1HH1 ARG 21 10.332 -4.886 -1.831 159 HH12 ARG 21 2HH1 ARG 21 10.488 -5.888 -0.403 160 HH21 ARG 21 1HH2 ARG 21 9.409 -3.666 1.762 161 HH22 ARG 21 2HH2 ARG 21 9.905 -5.293 1.408 162 H CYS 22 H CYS 22 4.778 -1.715 -1.280 163 HA CYS 22 HA CYS 22 3.691 1.001 -1.537 164 HB2 CYS 22 2HB CYS 22 4.089 -0.990 0.713 165 HB3 CYS 22 3HB CYS 22 3.721 0.684 1.012 166 H GLY 23 H GLY 23 6.656 -0.380 -0.132 167 HA2 GLY 23 2HA GLY 23 7.541 1.410 1.593 168 HA3 GLY 23 3HA GLY 23 8.650 0.555 0.532 169 H THR 24 H THR 24 7.812 2.208 -1.897 170 HA THR 24 HA THR 24 9.137 4.783 -1.162 171 HB THR 24 HB THR 24 8.615 3.845 -3.988 172 HG1 THR 24 HG1 THR 24 10.520 2.995 -4.068 173 HG21 THR 24 1HG2 THR 24 9.097 6.253 -3.674 174 HG22 THR 24 2HG2 THR 24 10.572 5.844 -2.766 175 HG23 THR 24 3HG2 THR 24 10.437 5.433 -4.489 176 H CYS 25 H CYS 25 6.650 3.857 -3.546 177 HA CYS 25 HA CYS 25 4.727 4.856 -4.255 178 HB2 CYS 25 2HB CYS 25 4.058 3.549 -2.320 179 HB3 CYS 25 3HB CYS 25 4.407 4.866 -1.238 180 H ARG 26 H ARG 26 3.032 6.711 -3.512 181 HA ARG 26 HA ARG 26 4.488 9.296 -3.082 182 HB2 ARG 26 2HB ARG 26 2.997 10.492 -4.376 183 HB3 ARG 26 3HB ARG 26 3.358 9.066 -5.339 184 HG2 ARG 26 2HG ARG 26 1.132 8.099 -4.621 185 HG3 ARG 26 3HG ARG 26 0.814 9.616 -3.747 186 HD2 ARG 26 2HD ARG 26 1.284 10.834 -5.959 187 HD3 ARG 26 3HD ARG 26 1.236 9.241 -6.731 188 HE ARG 26 HE ARG 26 -1.128 9.922 -5.092 189 HH11 ARG 26 1HH1 ARG 26 0.229 10.253 -8.359 190 HH12 ARG 26 2HH1 ARG 26 -1.400 10.352 -9.031 191 HH21 ARG 26 1HH2 ARG 26 -3.127 10.286 -6.157 192 HH22 ARG 26 2HH2 ARG 26 -3.079 10.419 -7.908 193 H GLN 27 H GLN 27 2.450 7.074 -1.604 194 HA GLN 27 HA GLN 27 1.345 9.162 0.230 195 HB2 GLN 27 2HB GLN 27 -0.169 8.120 -1.597 196 HB3 GLN 27 3HB GLN 27 -0.078 6.640 -0.644 197 HG2 GLN 27 2HG GLN 27 -2.105 7.766 -0.073 198 HG3 GLN 27 3HG GLN 27 -1.051 7.925 1.309 199 HE21 GLN 27 1HE2 GLN 27 -2.983 9.629 -0.997 200 HE22 GLN 27 2HE2 GLN 27 -2.479 11.252 -0.493 201 H PHE 28 H PHE 28 3.123 6.190 0.185 202 HA PHE 28 HA PHE 28 2.286 4.912 2.484 203 HB2 PHE 28 2HB PHE 28 3.910 4.032 0.852 204 HB3 PHE 28 3HB PHE 28 5.118 5.174 1.405 205 HD1 PHE 28 HD1 PHE 28 2.784 2.706 3.107 206 HD2 PHE 28 HD2 PHE 28 6.828 4.101 2.575 207 HE1 PHE 28 HE1 PHE 28 3.579 1.071 4.802 208 HE2 PHE 28 HE2 PHE 28 7.616 2.461 4.262 209 HZ PHE 28 HZ PHE 28 5.988 0.956 5.393 210 H ARG 29 H ARG 29 4.539 7.627 2.395 211 HA ARG 29 HA ARG 29 5.636 8.827 4.105 212 HB2 ARG 29 2HB ARG 29 2.667 9.027 4.477 213 HB3 ARG 29 3HB ARG 29 3.736 9.859 5.591 214 HG2 ARG 29 2HG ARG 29 3.094 11.392 3.878 215 HG3 ARG 29 3HG ARG 29 4.829 11.084 3.799 216 HD2 ARG 29 2HD ARG 29 4.461 9.543 1.893 217 HD3 ARG 29 3HD ARG 29 2.722 9.862 1.979 218 HE ARG 29 HE ARG 29 3.311 12.283 1.534 219 HH11 ARG 29 1HH1 ARG 29 5.514 9.782 0.254 220 HH12 ARG 29 2HH1 ARG 29 6.175 10.957 -0.886 221 HH21 ARG 29 1HH2 ARG 29 4.223 13.551 -0.082 222 HH22 ARG 29 2HH2 ARG 29 5.530 12.879 -1.041 223 HA PRO 30 HA PRO 30 6.020 5.204 6.838 224 HB2 PRO 30 2HB PRO 30 8.766 6.440 7.140 225 HB3 PRO 30 3HB PRO 30 8.328 4.705 7.019 226 HG2 PRO 30 2HG PRO 30 9.235 5.981 4.837 227 HG3 PRO 30 3HG PRO 30 7.812 4.906 4.711 228 HD2 PRO 30 2HD PRO 30 7.867 7.920 4.902 229 HD3 PRO 30 3HD PRO 30 6.892 6.868 3.835 230 HA PRO 31 HA PRO 31 7.697 4.289 9.088 231 HB2 PRO 31 2HB PRO 31 6.421 3.018 11.147 232 HB3 PRO 31 3HB PRO 31 7.692 4.258 11.364 233 HG2 PRO 31 2HG PRO 31 4.686 4.669 11.438 234 HG3 PRO 31 3HG PRO 31 5.909 5.202 12.640 235 HD2 PRO 31 2HD PRO 31 5.027 6.894 10.722 236 HD3 PRO 31 3HD PRO 31 6.756 6.869 11.172 237 H SER 32 H SER 32 4.127 4.523 9.133 238 HA SER 32 HA SER 32 3.892 2.333 7.152 239 HB2 SER 32 2HB SER 32 2.282 1.129 8.744 240 HB3 SER 32 3HB SER 32 4.003 1.026 9.096 241 HG SER 32 HG SER 32 2.218 2.873 10.370 242 H SER 33 H SER 33 3.115 5.302 7.414 243 HA SER 33 HA SER 33 0.266 5.134 8.094 244 HB2 SER 33 2HB SER 33 1.954 7.595 7.833 245 HB3 SER 33 3HB SER 33 0.376 7.354 8.617 246 HG SER 33 HG SER 33 2.352 7.386 10.038 247 H CYS 34 H CYS 34 0.052 4.186 5.951 248 HA CYS 34 HA CYS 34 -0.333 5.970 3.643 249 HB2 CYS 34 2HB CYS 34 0.100 3.593 3.235 250 HB3 CYS 34 3HB CYS 34 -1.372 3.158 4.120 251 H ILE 35 H ILE 35 -2.298 6.486 2.721 252 HA ILE 35 HA ILE 35 -4.732 6.568 4.405 253 HB ILE 35 HB ILE 35 -5.194 8.892 3.884 254 HG12 ILE 35 2HG1 ILE 35 -2.322 9.024 2.875 255 HG13 ILE 35 3HG1 ILE 35 -3.771 9.080 1.852 256 HG21 ILE 35 1HG2 ILE 35 -2.564 8.585 5.386 257 HG22 ILE 35 2HG2 ILE 35 -3.803 9.833 5.611 258 HG23 ILE 35 3HG2 ILE 35 -4.168 8.163 6.038 259 HD11 ILE 35 1HD1 ILE 35 -2.900 11.115 3.922 260 HD12 ILE 35 2HD1 ILE 35 -3.036 11.335 2.165 261 HD13 ILE 35 3HD1 ILE 35 -4.499 11.101 3.143 262 H THR 36 H THR 36 -3.494 5.538 1.561 263 HA THR 36 HA THR 36 -5.916 5.979 -0.081 264 HB THR 36 HB THR 36 -3.660 3.961 -0.408 265 HG1 THR 36 HG1 THR 36 -2.612 5.393 -1.455 266 HG21 THR 36 1HG2 THR 36 -5.686 5.088 -2.393 267 HG22 THR 36 2HG2 THR 36 -4.288 4.075 -2.816 268 HG23 THR 36 3HG2 THR 36 -5.584 3.403 -1.823 269 H VAL 37 H VAL 37 -4.679 3.810 2.343 270 HA VAL 37 HA VAL 37 -7.020 1.970 2.167 271 HB VAL 37 HB VAL 37 -4.227 1.109 3.002 272 HG11 VAL 37 1HG1 VAL 37 -6.638 -0.406 1.907 273 HG12 VAL 37 2HG1 VAL 37 -5.035 -1.129 2.181 274 HG13 VAL 37 3HG1 VAL 37 -5.943 -0.504 3.542 275 HG21 VAL 37 1HG2 VAL 37 -3.789 1.903 0.795 276 HG22 VAL 37 2HG2 VAL 37 -3.908 0.156 0.697 277 HG23 VAL 37 3HG2 VAL 37 -5.268 1.165 0.157 278 H GLU 38 H GLU 38 -7.565 0.904 4.160 279 HA GLU 38 HA GLU 38 -7.438 2.149 6.690 280 HB2 GLU 38 2HB GLU 38 -7.972 -0.087 7.565 281 HB3 GLU 38 3HB GLU 38 -8.936 0.317 6.159 282 HG2 GLU 38 2HG GLU 38 -7.747 -1.245 4.799 283 HG3 GLU 38 3HG GLU 38 -6.453 -1.396 5.983 284 H SER 39 H SER 39 -5.971 2.152 8.425 285 HA SER 39 HA SER 39 -3.240 1.108 7.802 286 HB2 SER 39 2HB SER 39 -2.302 3.218 8.498 287 HB3 SER 39 3HB SER 39 -3.500 3.462 7.234 288 HG SER 39 HG SER 39 -3.708 4.957 8.898 289 HA PRO 40 HA PRO 40 -0.972 1.888 9.259 290 HB2 PRO 40 2HB PRO 40 0.777 0.104 10.321 291 HB3 PRO 40 3HB PRO 40 0.145 1.514 11.223 292 HG2 PRO 40 2HG PRO 40 -0.882 -1.345 11.296 293 HG3 PRO 40 3HG PRO 40 -0.435 -0.297 12.683 294 HD2 PRO 40 2HD PRO 40 -3.007 -0.511 11.878 295 HD3 PRO 40 3HD PRO 40 -2.347 1.072 12.383 296 H ILE 41 H ILE 41 0.481 1.019 7.670 297 HA ILE 41 HA ILE 41 -0.425 -1.472 6.286 298 HB ILE 41 HB ILE 41 0.108 1.330 5.326 299 HG12 ILE 41 2HG1 ILE 41 -2.194 0.515 5.783 300 HG13 ILE 41 3HG1 ILE 41 -1.951 1.083 4.144 301 HG21 ILE 41 1HG2 ILE 41 0.419 -1.053 3.491 302 HG22 ILE 41 2HG2 ILE 41 0.190 0.617 2.961 303 HG23 ILE 41 3HG2 ILE 41 1.636 0.176 3.867 304 HD11 ILE 41 1HD1 ILE 41 -1.960 -1.144 3.243 305 HD12 ILE 41 2HD1 ILE 41 -1.980 -1.877 4.863 306 HD13 ILE 41 3HD1 ILE 41 -3.370 -0.953 4.277 307 H SER 42 H SER 42 1.097 -2.695 5.128 308 HA SER 42 HA SER 42 3.849 -2.581 6.231 309 HB2 SER 42 2HB SER 42 2.620 -4.689 6.387 310 HB3 SER 42 3HB SER 42 2.486 -4.760 4.620 311 HG SER 42 HG SER 42 4.285 -5.931 5.564 312 H GLU 43 H GLU 43 5.648 -2.350 5.042 313 HA GLU 43 HA GLU 43 5.619 -0.728 2.733 314 HB2 GLU 43 2HB GLU 43 8.036 -1.096 2.693 315 HB3 GLU 43 3HB GLU 43 7.467 -0.781 4.332 316 HG2 GLU 43 2HG GLU 43 7.679 -3.081 4.980 317 HG3 GLU 43 3HG GLU 43 7.907 -3.591 3.315 318 H ASN 44 H ASN 44 5.153 -4.129 2.751 319 HA ASN 44 HA ASN 44 6.420 -4.591 0.132 320 HB2 ASN 44 2HB ASN 44 5.999 -6.941 0.567 321 HB3 ASN 44 3HB ASN 44 6.781 -6.194 1.958 322 HD21 ASN 44 1HD2 ASN 44 6.124 -8.149 2.987 323 HD22 ASN 44 2HD2 ASN 44 4.612 -7.983 3.850 324 H GLY 45 H GLY 45 3.371 -3.458 0.987 325 HA2 GLY 45 2HA GLY 45 1.614 -5.048 -0.493 326 HA3 GLY 45 3HA GLY 45 1.337 -3.377 -0.035 327 H TRP 46 H TRP 46 1.985 -1.702 -1.494 328 HA TRP 46 HA TRP 46 1.434 -0.641 -3.376 329 HB2 TRP 46 2HB TRP 46 2.974 -1.708 -4.805 330 HB3 TRP 46 3HB TRP 46 1.999 -3.159 -4.934 331 HD1 TRP 46 HD1 TRP 46 2.461 0.233 -6.458 332 HE1 TRP 46 HE1 TRP 46 0.920 0.502 -8.493 333 HE3 TRP 46 HE3 TRP 46 -0.568 -3.823 -5.717 334 HZ2 TRP 46 HZ2 TRP 46 -1.311 -0.890 -9.673 335 HZ3 TRP 46 HZ3 TRP 46 -2.429 -4.303 -7.286 336 HH2 TRP 46 HH2 TRP 46 -2.798 -2.857 -9.262 337 H CYS 47 H CYS 47 -0.442 -0.149 -4.455 338 HA CYS 47 HA CYS 47 -2.815 -1.893 -4.103 339 HB2 CYS 47 2HB CYS 47 -4.022 -0.135 -2.958 340 HB3 CYS 47 3HB CYS 47 -2.458 -0.216 -2.157 341 H ARG 48 H ARG 48 -4.704 -0.967 -5.334 342 HA ARG 48 HA ARG 48 -3.902 -0.533 -8.069 343 HB2 ARG 48 2HB ARG 48 -6.598 -0.842 -6.712 344 HB3 ARG 48 3HB ARG 48 -6.437 -0.618 -8.457 345 HG2 ARG 48 2HG ARG 48 -5.018 -2.606 -8.647 346 HG3 ARG 48 3HG ARG 48 -5.121 -2.881 -6.900 347 HD2 ARG 48 2HD ARG 48 -7.573 -3.153 -7.098 348 HD3 ARG 48 3HD ARG 48 -7.466 -2.892 -8.851 349 HE ARG 48 HE ARG 48 -5.702 -4.972 -8.445 350 HH11 ARG 48 1HH1 ARG 48 -9.120 -4.655 -7.645 351 HH12 ARG 48 2HH1 ARG 48 -9.271 -6.400 -7.462 352 HH21 ARG 48 1HH2 ARG 48 -6.018 -7.026 -8.410 353 HH22 ARG 48 2HH2 ARG 48 -7.571 -7.763 -8.040 354 H LEU 49 H LEU 49 -3.362 1.814 -6.300 355 HA LEU 49 HA LEU 49 -4.638 3.940 -7.937 356 HB2 LEU 49 2HB LEU 49 -4.188 4.374 -5.564 357 HB3 LEU 49 3HB LEU 49 -2.481 4.035 -5.800 358 HG LEU 49 HG LEU 49 -2.293 6.012 -7.308 359 HD11 LEU 49 1HD1 LEU 49 -4.579 6.170 -8.195 360 HD12 LEU 49 2HD1 LEU 49 -5.211 6.489 -6.560 361 HD13 LEU 49 3HD1 LEU 49 -4.149 7.664 -7.364 362 HD21 LEU 49 1HD2 LEU 49 -1.863 6.222 -4.886 363 HD22 LEU 49 2HD2 LEU 49 -2.558 7.711 -5.545 364 HD23 LEU 49 3HD2 LEU 49 -3.579 6.602 -4.605 365 H TYR 50 H TYR 50 -4.044 3.345 -10.056 366 HA TYR 50 HA TYR 50 -1.356 2.479 -10.711 367 HB2 TYR 50 2HB TYR 50 -3.781 3.114 -12.398 368 HB3 TYR 50 3HB TYR 50 -2.239 2.629 -13.079 369 HD1 TYR 50 HD1 TYR 50 -1.370 0.367 -12.867 370 HD2 TYR 50 HD2 TYR 50 -5.171 1.446 -11.155 371 HE1 TYR 50 HE1 TYR 50 -1.908 -2.039 -12.527 372 HE2 TYR 50 HE2 TYR 50 -5.710 -0.950 -10.822 373 HH TYR 50 HH TYR 50 -3.362 -3.529 -11.633 374 H ALA 51 H ALA 51 0.300 3.843 -10.608 375 HA ALA 51 HA ALA 51 0.158 6.491 -11.921 376 HB1 ALA 51 1HB ALA 51 1.001 6.041 -9.022 377 HB2 ALA 51 2HB ALA 51 1.010 7.592 -9.890 378 HB3 ALA 51 3HB ALA 51 -0.527 6.784 -9.544 379 H GLY 52 H GLY 52 2.076 7.540 -12.296 380 HA2 GLY 52 2HA GLY 52 4.175 6.024 -13.408 381 HA3 GLY 52 3HA GLY 52 4.116 7.773 -13.152 382 H LYS 53 H LYS 53 3.942 6.309 -10.238 383 HA LYS 53 HA LYS 53 6.764 6.834 -9.443 384 HB2 LYS 53 2HB LYS 53 4.151 6.417 -8.009 385 HB3 LYS 53 3HB LYS 53 5.589 5.803 -7.219 386 HG2 LYS 53 2HG LYS 53 5.049 8.002 -6.407 387 HG3 LYS 53 3HG LYS 53 6.631 7.963 -7.166 388 HD2 LYS 53 2HD LYS 53 5.849 9.168 -9.103 389 HD3 LYS 53 3HD LYS 53 4.165 8.953 -8.623 390 HE2 LYS 53 2HE LYS 53 4.887 11.239 -8.179 391 HE3 LYS 53 3HE LYS 53 4.452 10.407 -6.688 392 HZ1 LYS 53 1HZ LYS 53 6.816 10.126 -6.202 393 HZ2 LYS 53 2HZ LYS 53 7.244 10.920 -7.596 394 HZ3 LYS 53 3HZ LYS 53 6.431 11.687 -6.400 395 H ALA 54 H ALA 54 8.112 5.337 -10.047 396 HA ALA 54 HA ALA 54 7.460 2.436 -9.902 397 HB1 ALA 54 1HB ALA 54 8.412 3.269 -11.992 398 HB2 ALA 54 2HB ALA 54 9.800 3.944 -11.131 399 HB3 ALA 54 3HB ALA 54 9.568 2.184 -11.191 Start of MODEL 14 1 H1 VAL 1 1H VAL 1 -17.077 14.421 0.764 2 H2 VAL 1 2H VAL 1 -16.857 12.812 0.501 3 H3 VAL 1 3H VAL 1 -16.031 13.936 -0.393 4 HA VAL 1 HA VAL 1 -14.841 14.705 1.492 5 HB VAL 1 HB VAL 1 -16.750 13.903 3.053 6 HG11 VAL 1 1HG1 VAL 1 -14.951 11.486 3.413 7 HG12 VAL 1 2HG1 VAL 1 -16.493 11.841 4.195 8 HG13 VAL 1 3HG1 VAL 1 -16.467 11.430 2.487 9 HG21 VAL 1 1HG2 VAL 1 -14.743 15.151 3.766 10 HG22 VAL 1 2HG2 VAL 1 -15.276 13.974 4.970 11 HG23 VAL 1 3HG2 VAL 1 -13.862 13.620 3.961 12 H THR 2 H THR 2 -12.735 13.977 1.722 13 HA THR 2 HA THR 2 -11.911 11.661 0.181 14 HB THR 2 HB THR 2 -10.172 13.309 2.039 15 HG1 THR 2 HG1 THR 2 -10.114 14.836 0.665 16 HG21 THR 2 1HG2 THR 2 -9.130 11.297 0.956 17 HG22 THR 2 2HG2 THR 2 -9.604 11.932 -0.628 18 HG23 THR 2 3HG2 THR 2 -8.433 12.819 0.374 19 H LYS 3 H LYS 3 -13.123 9.970 1.363 20 HA LYS 3 HA LYS 3 -12.033 9.167 4.018 21 HB2 LYS 3 2HB LYS 3 -14.559 9.197 3.433 22 HB3 LYS 3 3HB LYS 3 -14.214 7.759 2.481 23 HG2 LYS 3 2HG LYS 3 -14.964 6.891 4.504 24 HG3 LYS 3 3HG LYS 3 -13.216 6.766 4.675 25 HD2 LYS 3 2HD LYS 3 -13.270 8.950 5.966 26 HD3 LYS 3 3HD LYS 3 -15.029 8.926 5.870 27 HE2 LYS 3 2HE LYS 3 -13.374 6.680 7.109 28 HE3 LYS 3 3HE LYS 3 -13.953 8.066 8.034 29 HZ1 LYS 3 1HZ LYS 3 -15.458 6.137 8.194 30 HZ2 LYS 3 2HZ LYS 3 -16.243 7.411 7.492 31 HZ3 LYS 3 3HZ LYS 3 -15.723 6.155 6.598 32 H LYS 4 H LYS 4 -10.659 7.570 4.340 33 HA LYS 4 HA LYS 4 -9.149 6.420 2.216 34 HB2 LYS 4 2HB LYS 4 -9.265 5.717 5.180 35 HB3 LYS 4 3HB LYS 4 -8.042 5.152 4.028 36 HG2 LYS 4 2HG LYS 4 -7.487 7.541 3.506 37 HG3 LYS 4 3HG LYS 4 -8.636 8.068 4.700 38 HD2 LYS 4 2HD LYS 4 -6.437 8.165 5.680 39 HD3 LYS 4 3HD LYS 4 -7.390 6.912 6.493 40 HE2 LYS 4 2HE LYS 4 -6.268 5.204 4.966 41 HE3 LYS 4 3HE LYS 4 -5.251 6.509 4.359 42 HZ1 LYS 4 1HZ LYS 4 -4.556 6.839 6.728 43 HZ2 LYS 4 2HZ LYS 4 -5.368 5.475 7.126 44 HZ3 LYS 4 3HZ LYS 4 -4.079 5.405 6.068 45 H ALA 5 H ALA 5 -8.845 4.439 1.518 46 HA ALA 5 HA ALA 5 -11.241 2.742 1.325 47 HB1 ALA 5 1HB ALA 5 -9.998 3.352 -0.690 48 HB2 ALA 5 2HB ALA 5 -8.515 2.630 -0.028 49 HB3 ALA 5 3HB ALA 5 -9.904 1.601 -0.437 50 H SER 6 H SER 6 -11.370 0.523 1.837 51 HA SER 6 HA SER 6 -9.627 -0.509 3.968 52 HB2 SER 6 2HB SER 6 -11.053 -2.461 3.908 53 HB3 SER 6 3HB SER 6 -12.060 -1.004 3.907 54 HG SER 6 HG SER 6 -12.881 -2.275 2.352 55 H HIS 7 H HIS 7 -8.543 -2.628 3.721 56 HA HIS 7 HA HIS 7 -6.763 -2.793 1.482 57 HB2 HIS 7 2HB HIS 7 -7.606 -4.796 3.604 58 HB3 HIS 7 3HB HIS 7 -6.345 -5.126 2.426 59 HD2 HIS 7 HD2 HIS 7 -6.603 -1.683 4.291 60 HE1 HIS 7 HE1 HIS 7 -3.045 -3.625 5.576 61 HE2 HIS 7 HE2 HIS 7 -4.396 -1.431 5.635 62 H LYS 8 H LYS 8 -9.972 -4.172 1.925 63 HA LYS 8 HA LYS 8 -10.019 -5.883 -0.425 64 HB2 LYS 8 2HB LYS 8 -11.535 -6.125 1.466 65 HB3 LYS 8 3HB LYS 8 -12.226 -4.541 1.152 66 HG2 LYS 8 2HG LYS 8 -13.687 -6.172 0.288 67 HG3 LYS 8 3HG LYS 8 -13.020 -5.316 -1.079 68 HD2 LYS 8 2HD LYS 8 -13.190 -7.683 -1.586 69 HD3 LYS 8 3HD LYS 8 -11.485 -7.234 -1.517 70 HE2 LYS 8 2HE LYS 8 -11.386 -8.141 0.834 71 HE3 LYS 8 3HE LYS 8 -13.087 -8.612 0.698 72 HZ1 LYS 8 1HZ LYS 8 -12.472 -10.083 -1.127 73 HZ2 LYS 8 2HZ LYS 8 -10.896 -9.618 -1.032 74 HZ3 LYS 8 3HZ LYS 8 -11.591 -10.448 0.209 75 H ASP 9 H ASP 9 -11.392 -2.636 0.146 76 HA ASP 9 HA ASP 9 -12.269 -2.164 -2.516 77 HB2 ASP 9 2HB ASP 9 -12.938 -1.025 -0.385 78 HB3 ASP 9 3HB ASP 9 -11.433 -0.152 -0.430 79 H ALA 10 H ALA 10 -9.283 -1.189 -0.902 80 HA ALA 10 HA ALA 10 -8.087 0.157 -3.163 81 HB1 ALA 10 1HB ALA 10 -6.772 -1.033 -0.683 82 HB2 ALA 10 2HB ALA 10 -6.100 0.217 -1.752 83 HB3 ALA 10 3HB ALA 10 -7.532 0.570 -0.768 84 H GLY 11 H GLY 11 -8.573 -3.189 -2.741 85 HA2 GLY 11 2HA GLY 11 -7.842 -5.002 -3.941 86 HA3 GLY 11 3HA GLY 11 -7.127 -3.863 -5.087 87 H TYR 12 H TYR 12 -6.265 -4.277 -1.657 88 HA TYR 12 HA TYR 12 -3.454 -4.368 -1.930 89 HB2 TYR 12 2HB TYR 12 -4.750 -3.861 0.124 90 HB3 TYR 12 3HB TYR 12 -5.302 -5.527 0.190 91 HD1 TYR 12 HD1 TYR 12 -3.744 -7.386 0.795 92 HD2 TYR 12 HD2 TYR 12 -2.603 -3.227 1.030 93 HE1 TYR 12 HE1 TYR 12 -1.894 -7.978 2.340 94 HE2 TYR 12 HE2 TYR 12 -0.798 -3.831 2.647 95 HH TYR 12 HH TYR 12 -0.160 -7.213 3.583 96 H GLN 13 H GLN 13 -1.932 -6.106 -1.713 97 HA GLN 13 HA GLN 13 -2.901 -8.863 -2.221 98 HB2 GLN 13 2HB GLN 13 -1.179 -9.123 -4.021 99 HB3 GLN 13 3HB GLN 13 -2.552 -8.105 -4.417 100 HG2 GLN 13 2HG GLN 13 -1.114 -6.065 -3.995 101 HG3 GLN 13 3HG GLN 13 0.253 -7.144 -3.701 102 HE21 GLN 13 1HE2 GLN 13 1.577 -6.677 -5.256 103 HE22 GLN 13 2HE2 GLN 13 1.196 -6.945 -6.941 104 H GLU 14 H GLU 14 -1.692 -10.499 -1.466 105 HA GLU 14 HA GLU 14 0.248 -9.920 0.579 106 HB2 GLU 14 2HB GLU 14 0.269 -12.345 0.952 107 HB3 GLU 14 3HB GLU 14 -1.280 -11.510 1.032 108 HG2 GLU 14 2HG GLU 14 -1.658 -13.599 0.027 109 HG3 GLU 14 3HG GLU 14 -1.903 -12.340 -1.167 110 H SER 15 H SER 15 0.676 -10.211 -2.679 111 HA SER 15 HA SER 15 3.524 -11.087 -2.461 112 HB2 SER 15 2HB SER 15 3.113 -12.127 -4.803 113 HB3 SER 15 3HB SER 15 2.558 -12.968 -3.358 114 HG SER 15 HG SER 15 0.538 -12.567 -3.871 115 HA PRO 16 HA PRO 16 4.686 -7.552 -4.310 116 HB2 PRO 16 2HB PRO 16 7.041 -8.077 -5.609 117 HB3 PRO 16 3HB PRO 16 6.831 -8.287 -3.844 118 HG2 PRO 16 2HG PRO 16 6.646 -10.395 -5.999 119 HG3 PRO 16 3HG PRO 16 7.558 -10.464 -4.455 120 HD2 PRO 16 2HD PRO 16 5.096 -11.572 -4.765 121 HD3 PRO 16 3HD PRO 16 5.575 -10.851 -3.212 122 H ASN 17 H ASN 17 4.642 -6.104 -5.960 123 HA ASN 17 HA ASN 17 3.774 -7.008 -8.657 124 HB2 ASN 17 2HB ASN 17 2.369 -5.321 -7.567 125 HB3 ASN 17 3HB ASN 17 3.732 -4.237 -7.410 126 HD21 ASN 17 1HD2 ASN 17 1.495 -3.301 -8.642 127 HD22 ASN 17 2HD2 ASN 17 1.720 -3.198 -10.369 128 H GLY 18 H GLY 18 6.008 -7.976 -8.692 129 HA2 GLY 18 2HA GLY 18 8.216 -7.997 -9.404 130 HA3 GLY 18 3HA GLY 18 7.904 -6.464 -10.227 131 H ALA 19 H ALA 19 8.863 -4.683 -9.435 132 HA ALA 19 HA ALA 19 10.140 -4.694 -6.739 133 HB1 ALA 19 1HB ALA 19 11.638 -4.377 -8.662 134 HB2 ALA 19 2HB ALA 19 10.689 -2.960 -9.173 135 HB3 ALA 19 3HB ALA 19 11.570 -2.933 -7.633 136 H LYS 20 H LYS 20 7.340 -3.368 -8.327 137 HA LYS 20 HA LYS 20 7.282 -0.786 -6.958 138 HB2 LYS 20 2HB LYS 20 5.122 -2.453 -8.314 139 HB3 LYS 20 3HB LYS 20 4.909 -0.792 -7.781 140 HG2 LYS 20 2HG LYS 20 5.984 0.088 -9.565 141 HG3 LYS 20 3HG LYS 20 7.253 -1.135 -9.586 142 HD2 LYS 20 2HD LYS 20 5.836 -2.728 -10.742 143 HD3 LYS 20 3HD LYS 20 4.424 -1.682 -10.539 144 HE2 LYS 20 2HE LYS 20 5.629 0.089 -11.880 145 HE3 LYS 20 3HE LYS 20 6.923 -1.069 -12.194 146 HZ1 LYS 20 1HZ LYS 20 5.191 -0.888 -13.973 147 HZ2 LYS 20 2HZ LYS 20 5.356 -2.434 -13.415 148 HZ3 LYS 20 3HZ LYS 20 4.088 -1.521 -12.953 149 H ARG 21 H ARG 21 6.534 -0.343 -4.927 150 HA ARG 21 HA ARG 21 4.857 -2.337 -3.472 151 HB2 ARG 21 2HB ARG 21 6.217 -2.520 -1.644 152 HB3 ARG 21 3HB ARG 21 7.384 -2.550 -2.943 153 HG2 ARG 21 2HG ARG 21 7.867 -0.078 -2.471 154 HG3 ARG 21 3HG ARG 21 6.785 -0.195 -1.095 155 HD2 ARG 21 2HD ARG 21 8.103 -2.011 -0.115 156 HD3 ARG 21 3HD ARG 21 9.279 -1.838 -1.418 157 HE ARG 21 HE ARG 21 8.839 -0.008 0.861 158 HH11 ARG 21 1HH1 ARG 21 10.477 -0.258 -2.285 159 HH12 ARG 21 2HH1 ARG 21 11.701 0.874 -1.736 160 HH21 ARG 21 1HH2 ARG 21 10.352 1.328 1.361 161 HH22 ARG 21 2HH2 ARG 21 11.607 1.807 0.209 162 H CYS 22 H CYS 22 4.550 -0.918 -1.056 163 HA CYS 22 HA CYS 22 3.345 1.664 -1.693 164 HB2 CYS 22 2HB CYS 22 4.195 0.400 0.938 165 HB3 CYS 22 3HB CYS 22 3.204 1.869 0.749 166 H GLY 23 H GLY 23 5.702 1.938 0.815 167 HA2 GLY 23 2HA GLY 23 7.751 2.932 1.052 168 HA3 GLY 23 3HA GLY 23 8.086 2.332 -0.567 169 H THR 24 H THR 24 7.328 3.719 -2.374 170 HA THR 24 HA THR 24 6.769 6.553 -1.861 171 HB THR 24 HB THR 24 8.954 5.761 -3.837 172 HG1 THR 24 HG1 THR 24 9.900 5.782 -1.946 173 HG21 THR 24 1HG2 THR 24 7.818 8.478 -3.008 174 HG22 THR 24 2HG2 THR 24 9.247 8.224 -4.035 175 HG23 THR 24 3HG2 THR 24 7.655 7.714 -4.605 176 H CYS 25 H CYS 25 4.765 6.393 -2.571 177 HA CYS 25 HA CYS 25 4.079 5.113 -5.186 178 HB2 CYS 25 2HB CYS 25 2.293 3.927 -4.017 179 HB3 CYS 25 3HB CYS 25 3.740 3.683 -3.045 180 H ARG 26 H ARG 26 1.264 5.572 -4.467 181 HA ARG 26 HA ARG 26 0.597 8.190 -5.386 182 HB2 ARG 26 2HB ARG 26 -0.863 6.086 -5.257 183 HB3 ARG 26 3HB ARG 26 -0.999 6.384 -3.524 184 HG2 ARG 26 2HG ARG 26 -1.989 8.672 -4.122 185 HG3 ARG 26 3HG ARG 26 -2.003 8.135 -5.805 186 HD2 ARG 26 2HD ARG 26 -3.490 6.292 -5.270 187 HD3 ARG 26 3HD ARG 26 -3.365 6.603 -3.547 188 HE ARG 26 HE ARG 26 -4.923 8.104 -5.560 189 HH11 ARG 26 1HH1 ARG 26 -4.184 7.841 -2.089 190 HH12 ARG 26 2HH1 ARG 26 -5.499 8.915 -1.719 191 HH21 ARG 26 1HH2 ARG 26 -6.408 9.621 -4.890 192 HH22 ARG 26 2HH2 ARG 26 -6.445 10.085 -3.199 193 H GLN 27 H GLN 27 0.896 6.949 -1.979 194 HA GLN 27 HA GLN 27 1.419 9.686 -1.024 195 HB2 GLN 27 2HB GLN 27 -1.140 8.258 -0.172 196 HB3 GLN 27 3HB GLN 27 -0.472 9.700 0.590 197 HG2 GLN 27 2HG GLN 27 -0.624 10.864 -1.656 198 HG3 GLN 27 3HG GLN 27 -1.653 9.527 -2.162 199 HE21 GLN 27 1HE2 GLN 27 -2.296 12.435 -1.865 200 HE22 GLN 27 2HE2 GLN 27 -3.694 12.428 -0.824 201 H PHE 28 H PHE 28 2.435 6.527 -0.517 202 HA PHE 28 HA PHE 28 2.187 6.061 2.184 203 HB2 PHE 28 2HB PHE 28 3.266 4.525 0.509 204 HB3 PHE 28 3HB PHE 28 4.713 5.492 0.598 205 HD1 PHE 28 HD1 PHE 28 2.347 3.541 2.812 206 HD2 PHE 28 HD2 PHE 28 6.358 5.016 2.282 207 HE1 PHE 28 HE1 PHE 28 3.095 2.228 4.767 208 HE2 PHE 28 HE2 PHE 28 7.111 3.664 4.212 209 HZ PHE 28 HZ PHE 28 5.476 2.279 5.475 210 H ARG 29 H ARG 29 2.987 6.671 4.094 211 HA ARG 29 HA ARG 29 5.442 8.380 4.288 212 HB2 ARG 29 2HB ARG 29 2.851 8.498 5.831 213 HB3 ARG 29 3HB ARG 29 4.365 8.913 6.616 214 HG2 ARG 29 2HG ARG 29 3.366 10.920 5.874 215 HG3 ARG 29 3HG ARG 29 4.831 10.653 4.927 216 HD2 ARG 29 2HD ARG 29 3.538 9.989 2.995 217 HD3 ARG 29 3HD ARG 29 2.045 9.927 3.950 218 HE ARG 29 HE ARG 29 3.306 12.555 3.987 219 HH11 ARG 29 1HH1 ARG 29 1.428 10.552 1.823 220 HH12 ARG 29 2HH1 ARG 29 0.782 11.976 0.988 221 HH21 ARG 29 1HH2 ARG 29 2.313 14.291 2.941 222 HH22 ARG 29 2HH2 ARG 29 1.347 13.945 1.529 223 HA PRO 30 HA PRO 30 6.889 4.786 6.653 224 HB2 PRO 30 2HB PRO 30 9.138 6.733 7.179 225 HB3 PRO 30 3HB PRO 30 9.234 4.989 6.777 226 HG2 PRO 30 2HG PRO 30 9.720 6.804 4.852 227 HG3 PRO 30 3HG PRO 30 8.653 5.418 4.482 228 HD2 PRO 30 2HD PRO 30 7.827 8.227 5.305 229 HD3 PRO 30 3HD PRO 30 7.257 7.247 3.913 230 HA PRO 31 HA PRO 31 8.149 3.845 8.476 231 HB2 PRO 31 2HB PRO 31 7.571 2.433 10.715 232 HB3 PRO 31 3HB PRO 31 8.727 3.797 10.702 233 HG2 PRO 31 2HG PRO 31 5.806 3.851 11.528 234 HG3 PRO 31 3HG PRO 31 7.219 4.503 12.416 235 HD2 PRO 31 2HD PRO 31 5.634 6.068 10.816 236 HD3 PRO 31 3HD PRO 31 7.391 6.348 10.972 237 H SER 32 H SER 32 4.685 4.050 9.278 238 HA SER 32 HA SER 32 4.124 1.482 7.863 239 HB2 SER 32 2HB SER 32 2.763 0.797 9.877 240 HB3 SER 32 3HB SER 32 4.502 0.861 10.130 241 HG SER 32 HG SER 32 2.585 2.776 10.986 242 H SER 33 H SER 33 3.388 4.354 7.146 243 HA SER 33 HA SER 33 0.422 4.225 7.553 244 HB2 SER 33 2HB SER 33 2.242 6.638 7.437 245 HB3 SER 33 3HB SER 33 0.490 6.641 7.704 246 HG SER 33 HG SER 33 1.820 6.759 9.607 247 H CYS 34 H CYS 34 -0.434 3.525 5.674 248 HA CYS 34 HA CYS 34 0.038 5.076 3.188 249 HB2 CYS 34 2HB CYS 34 -0.654 2.722 2.906 250 HB3 CYS 34 3HB CYS 34 -2.159 3.054 3.828 251 H ILE 35 H ILE 35 -1.224 6.749 2.570 252 HA ILE 35 HA ILE 35 -3.208 7.867 4.511 253 HB ILE 35 HB ILE 35 -1.882 9.342 2.244 254 HG12 ILE 35 2HG1 ILE 35 -0.059 8.699 3.686 255 HG13 ILE 35 3HG1 ILE 35 -0.385 10.408 3.867 256 HG21 ILE 35 1HG2 ILE 35 -3.446 10.294 4.675 257 HG22 ILE 35 2HG2 ILE 35 -2.519 11.364 3.599 258 HG23 ILE 35 3HG2 ILE 35 -3.889 10.464 2.967 259 HD11 ILE 35 1HD1 ILE 35 0.131 9.333 6.011 260 HD12 ILE 35 2HD1 ILE 35 -1.510 10.003 6.031 261 HD13 ILE 35 3HD1 ILE 35 -1.257 8.251 5.848 262 H THR 36 H THR 36 -2.988 6.157 1.584 263 HA THR 36 HA THR 36 -5.637 6.964 0.527 264 HB THR 36 HB THR 36 -3.868 4.640 -0.301 265 HG1 THR 36 HG1 THR 36 -2.647 5.828 -1.294 266 HG21 THR 36 1HG2 THR 36 -6.026 6.202 -1.770 267 HG22 THR 36 2HG2 THR 36 -4.966 4.969 -2.505 268 HG23 THR 36 3HG2 THR 36 -6.104 4.520 -1.225 269 H VAL 37 H VAL 37 -4.024 4.220 2.134 270 HA VAL 37 HA VAL 37 -6.592 2.746 2.341 271 HB VAL 37 HB VAL 37 -3.755 1.655 2.341 272 HG11 VAL 37 1HG1 VAL 37 -6.455 0.266 2.044 273 HG12 VAL 37 2HG1 VAL 37 -4.867 -0.504 1.817 274 HG13 VAL 37 3HG1 VAL 37 -5.308 0.107 3.403 275 HG21 VAL 37 1HG2 VAL 37 -4.098 2.553 0.153 276 HG22 VAL 37 2HG2 VAL 37 -4.413 0.838 0.015 277 HG23 VAL 37 3HG2 VAL 37 -5.782 1.979 0.092 278 H GLU 38 H GLU 38 -7.155 1.636 4.198 279 HA GLU 38 HA GLU 38 -6.623 2.815 6.689 280 HB2 GLU 38 2HB GLU 38 -7.762 0.137 5.889 281 HB3 GLU 38 3HB GLU 38 -7.602 0.552 7.576 282 HG2 GLU 38 2HG GLU 38 -9.171 2.183 5.537 283 HG3 GLU 38 3HG GLU 38 -9.839 1.027 6.684 284 H SER 39 H SER 39 -5.707 2.179 8.541 285 HA SER 39 HA SER 39 -2.985 1.043 8.101 286 HB2 SER 39 2HB SER 39 -2.110 3.041 9.213 287 HB3 SER 39 3HB SER 39 -3.140 3.486 7.852 288 HG SER 39 HG SER 39 -3.589 4.739 9.672 289 HA PRO 40 HA PRO 40 -0.921 1.447 9.717 290 HB2 PRO 40 2HB PRO 40 0.645 -0.424 10.883 291 HB3 PRO 40 3HB PRO 40 0.038 1.017 11.750 292 HG2 PRO 40 2HG PRO 40 -1.122 -1.785 11.768 293 HG3 PRO 40 3HG PRO 40 -0.751 -0.735 13.169 294 HD2 PRO 40 2HD PRO 40 -3.260 -0.897 12.127 295 HD3 PRO 40 3HD PRO 40 -2.615 0.645 12.760 296 H ILE 41 H ILE 41 0.603 0.410 8.302 297 HA ILE 41 HA ILE 41 -0.221 -2.141 7.027 298 HB ILE 41 HB ILE 41 -1.185 -0.037 5.897 299 HG12 ILE 41 2HG1 ILE 41 0.469 -1.914 4.174 300 HG13 ILE 41 3HG1 ILE 41 -1.128 -2.254 4.857 301 HG21 ILE 41 1HG2 ILE 41 1.640 0.269 4.806 302 HG22 ILE 41 2HG2 ILE 41 0.226 1.268 4.440 303 HG23 ILE 41 3HG2 ILE 41 0.931 1.320 6.053 304 HD11 ILE 41 1HD1 ILE 41 -2.056 -0.287 3.594 305 HD12 ILE 41 2HD1 ILE 41 -0.478 -0.127 2.779 306 HD13 ILE 41 3HD1 ILE 41 -1.439 -1.590 2.566 307 H SER 42 H SER 42 1.506 -3.286 6.036 308 HA SER 42 HA SER 42 4.278 -2.294 6.628 309 HB2 SER 42 2HB SER 42 3.312 -5.107 6.061 310 HB3 SER 42 3HB SER 42 5.001 -4.615 6.247 311 HG SER 42 HG SER 42 3.961 -3.615 8.352 312 H GLU 43 H GLU 43 5.788 -2.053 4.974 313 HA GLU 43 HA GLU 43 4.306 -0.820 2.855 314 HB2 GLU 43 2HB GLU 43 6.380 0.289 2.290 315 HB3 GLU 43 3HB GLU 43 6.137 0.283 4.037 316 HG2 GLU 43 2HG GLU 43 7.705 -1.584 4.299 317 HG3 GLU 43 3HG GLU 43 7.941 -1.633 2.562 318 H ASN 44 H ASN 44 5.483 -3.930 2.848 319 HA ASN 44 HA ASN 44 6.077 -4.181 0.021 320 HB2 ASN 44 2HB ASN 44 6.059 -6.561 0.462 321 HB3 ASN 44 3HB ASN 44 6.829 -5.781 1.832 322 HD21 ASN 44 1HD2 ASN 44 5.930 -5.888 3.821 323 HD22 ASN 44 2HD2 ASN 44 4.676 -7.097 4.094 324 H GLY 45 H GLY 45 3.102 -3.725 1.744 325 HA2 GLY 45 2HA GLY 45 1.180 -5.267 0.680 326 HA3 GLY 45 3HA GLY 45 0.934 -3.560 1.028 327 H TRP 46 H TRP 46 1.620 -2.040 -0.802 328 HA TRP 46 HA TRP 46 1.152 -1.155 -2.793 329 HB2 TRP 46 2HB TRP 46 2.638 -2.925 -3.787 330 HB3 TRP 46 3HB TRP 46 1.222 -3.917 -4.033 331 HD1 TRP 46 HD1 TRP 46 2.744 -0.613 -5.264 332 HE1 TRP 46 HE1 TRP 46 1.738 -0.011 -7.533 333 HE3 TRP 46 HE3 TRP 46 -0.761 -4.317 -5.600 334 HZ2 TRP 46 HZ2 TRP 46 -0.345 -1.007 -9.288 335 HZ3 TRP 46 HZ3 TRP 46 -2.204 -4.513 -7.610 336 HH2 TRP 46 HH2 TRP 46 -2.008 -2.856 -9.458 337 H CYS 47 H CYS 47 -0.631 -0.441 -3.920 338 HA CYS 47 HA CYS 47 -3.169 -1.986 -3.647 339 HB2 CYS 47 2HB CYS 47 -4.319 0.132 -3.275 340 HB3 CYS 47 3HB CYS 47 -3.025 -0.043 -2.087 341 H ARG 48 H ARG 48 -4.724 -1.675 -5.281 342 HA ARG 48 HA ARG 48 -3.658 -1.256 -7.991 343 HB2 ARG 48 2HB ARG 48 -6.425 -1.881 -6.868 344 HB3 ARG 48 3HB ARG 48 -6.139 -1.614 -8.596 345 HG2 ARG 48 2HG ARG 48 -4.546 -3.429 -8.710 346 HG3 ARG 48 3HG ARG 48 -4.636 -3.706 -6.961 347 HD2 ARG 48 2HD ARG 48 -6.902 -4.497 -7.103 348 HD3 ARG 48 3HD ARG 48 -7.082 -3.881 -8.746 349 HE ARG 48 HE ARG 48 -6.196 -5.783 -9.579 350 HH11 ARG 48 1HH1 ARG 48 -5.046 -5.777 -6.167 351 HH12 ARG 48 2HH1 ARG 48 -4.482 -7.412 -6.381 352 HH21 ARG 48 1HH2 ARG 48 -5.267 -7.796 -9.632 353 HH22 ARG 48 2HH2 ARG 48 -4.433 -8.384 -8.202 354 H LEU 49 H LEU 49 -4.410 0.931 -5.696 355 HA LEU 49 HA LEU 49 -5.551 3.006 -7.454 356 HB2 LEU 49 2HB LEU 49 -4.754 3.066 -4.520 357 HB3 LEU 49 3HB LEU 49 -5.588 4.353 -5.383 358 HG LEU 49 HG LEU 49 -6.727 1.551 -4.921 359 HD11 LEU 49 1HD1 LEU 49 -7.380 4.185 -3.558 360 HD12 LEU 49 2HD1 LEU 49 -8.229 2.646 -3.320 361 HD13 LEU 49 3HD1 LEU 49 -6.534 2.794 -2.832 362 HD21 LEU 49 1HD2 LEU 49 -7.692 2.579 -6.934 363 HD22 LEU 49 2HD2 LEU 49 -8.874 2.582 -5.624 364 HD23 LEU 49 3HD2 LEU 49 -8.016 4.080 -6.037 365 H TYR 50 H TYR 50 -2.455 1.783 -6.904 366 HA TYR 50 HA TYR 50 -0.691 3.837 -6.768 367 HB2 TYR 50 2HB TYR 50 -0.438 1.275 -7.191 368 HB3 TYR 50 3HB TYR 50 -0.365 1.696 -8.886 369 HD1 TYR 50 HD1 TYR 50 1.202 2.110 -5.543 370 HD2 TYR 50 HD2 TYR 50 1.745 2.537 -9.801 371 HE1 TYR 50 HE1 TYR 50 3.662 2.338 -5.223 372 HE2 TYR 50 HE2 TYR 50 4.205 2.768 -9.463 373 HH TYR 50 HH TYR 50 5.915 2.902 -7.918 374 H ALA 51 H ALA 51 0.517 5.157 -8.232 375 HA ALA 51 HA ALA 51 -1.202 6.265 -10.406 376 HB1 ALA 51 1HB ALA 51 -1.388 7.436 -8.261 377 HB2 ALA 51 2HB ALA 51 0.375 7.649 -8.202 378 HB3 ALA 51 3HB ALA 51 -0.592 8.463 -9.459 379 H GLY 52 H GLY 52 -0.067 7.927 -11.747 380 HA2 GLY 52 2HA GLY 52 2.141 6.806 -13.151 381 HA3 GLY 52 3HA GLY 52 1.355 8.354 -13.438 382 H LYS 53 H LYS 53 2.324 8.608 -10.365 383 HA LYS 53 HA LYS 53 4.232 10.571 -10.562 384 HB2 LYS 53 2HB LYS 53 3.552 8.573 -8.392 385 HB3 LYS 53 3HB LYS 53 5.005 9.543 -8.227 386 HG2 LYS 53 2HG LYS 53 3.238 10.588 -7.024 387 HG3 LYS 53 3HG LYS 53 3.764 11.623 -8.355 388 HD2 LYS 53 2HD LYS 53 1.754 11.138 -9.625 389 HD3 LYS 53 3HD LYS 53 1.325 9.817 -8.529 390 HE2 LYS 53 2HE LYS 53 -0.079 11.703 -8.026 391 HE3 LYS 53 3HE LYS 53 1.004 11.411 -6.670 392 HZ1 LYS 53 1HZ LYS 53 1.453 13.503 -8.742 393 HZ2 LYS 53 2HZ LYS 53 0.804 13.774 -7.275 394 HZ3 LYS 53 3HZ LYS 53 2.354 13.272 -7.389 395 H ALA 54 H ALA 54 6.083 10.720 -11.060 396 HA ALA 54 HA ALA 54 8.268 8.827 -10.546 397 HB1 ALA 54 1HB ALA 54 9.101 8.799 -12.854 398 HB2 ALA 54 2HB ALA 54 7.479 8.110 -12.793 399 HB3 ALA 54 3HB ALA 54 7.717 9.764 -13.398 Start of MODEL 15 1 H1 VAL 1 1H VAL 1 -8.782 11.406 8.728 2 H2 VAL 1 2H VAL 1 -9.400 11.731 7.243 3 H3 VAL 1 3H VAL 1 -9.577 10.235 7.915 4 HA VAL 1 HA VAL 1 -10.883 11.151 9.706 5 HB VAL 1 HB VAL 1 -11.166 13.696 8.098 6 HG11 VAL 1 1HG1 VAL 1 -11.826 12.812 10.949 7 HG12 VAL 1 2HG1 VAL 1 -12.013 14.457 10.331 8 HG13 VAL 1 3HG1 VAL 1 -12.990 13.153 9.644 9 HG21 VAL 1 1HG2 VAL 1 -8.812 13.686 8.816 10 HG22 VAL 1 2HG2 VAL 1 -9.752 14.811 9.788 11 HG23 VAL 1 3HG2 VAL 1 -9.307 13.235 10.468 12 H THR 2 H THR 2 -11.626 12.327 6.337 13 HA THR 2 HA THR 2 -14.198 10.925 6.417 14 HB THR 2 HB THR 2 -13.957 12.983 5.102 15 HG1 THR 2 HG1 THR 2 -15.558 12.099 4.254 16 HG21 THR 2 1HG2 THR 2 -13.038 12.805 2.782 17 HG22 THR 2 2HG2 THR 2 -11.792 12.808 4.030 18 HG23 THR 2 3HG2 THR 2 -12.243 11.288 3.232 19 H LYS 3 H LYS 3 -14.784 9.148 5.063 20 HA LYS 3 HA LYS 3 -13.079 7.109 5.943 21 HB2 LYS 3 2HB LYS 3 -15.575 7.127 5.798 22 HB3 LYS 3 3HB LYS 3 -15.409 6.704 4.076 23 HG2 LYS 3 2HG LYS 3 -14.216 4.629 4.716 24 HG3 LYS 3 3HG LYS 3 -14.317 5.098 6.429 25 HD2 LYS 3 2HD LYS 3 -16.819 5.075 6.252 26 HD3 LYS 3 3HD LYS 3 -16.665 4.516 4.570 27 HE2 LYS 3 2HE LYS 3 -15.378 2.527 5.400 28 HE3 LYS 3 3HE LYS 3 -15.634 3.082 7.062 29 HZ1 LYS 3 1HZ LYS 3 -17.778 2.335 5.156 30 HZ2 LYS 3 2HZ LYS 3 -17.253 1.444 6.456 31 HZ3 LYS 3 3HZ LYS 3 -18.026 2.872 6.698 32 H LYS 4 H LYS 4 -11.436 6.301 5.215 33 HA LYS 4 HA LYS 4 -10.291 6.443 2.578 34 HB2 LYS 4 2HB LYS 4 -9.530 4.847 5.056 35 HB3 LYS 4 3HB LYS 4 -8.502 5.085 3.634 36 HG2 LYS 4 2HG LYS 4 -8.675 7.561 3.968 37 HG3 LYS 4 3HG LYS 4 -9.610 7.307 5.415 38 HD2 LYS 4 2HD LYS 4 -7.420 7.731 6.168 39 HD3 LYS 4 3HD LYS 4 -7.729 6.009 6.413 40 HE2 LYS 4 2HE LYS 4 -6.540 5.561 4.228 41 HE3 LYS 4 3HE LYS 4 -6.139 7.284 4.136 42 HZ1 LYS 4 1HZ LYS 4 -4.853 7.095 6.140 43 HZ2 LYS 4 2HZ LYS 4 -5.354 5.548 6.410 44 HZ3 LYS 4 3HZ LYS 4 -4.363 5.889 5.143 45 H ALA 5 H ALA 5 -9.235 4.323 1.668 46 HA ALA 5 HA ALA 5 -11.421 2.456 0.965 47 HB1 ALA 5 1HB ALA 5 -8.515 2.534 0.080 48 HB2 ALA 5 2HB ALA 5 -9.795 1.487 -0.577 49 HB3 ALA 5 3HB ALA 5 -9.893 3.248 -0.789 50 H SER 6 H SER 6 -11.592 0.300 1.626 51 HA SER 6 HA SER 6 -10.012 -0.645 3.898 52 HB2 SER 6 2HB SER 6 -11.341 -2.648 3.730 53 HB3 SER 6 3HB SER 6 -12.413 -1.250 3.530 54 HG SER 6 HG SER 6 -12.901 -2.731 1.946 55 H HIS 7 H HIS 7 -8.798 -2.779 3.763 56 HA HIS 7 HA HIS 7 -6.849 -2.766 1.616 57 HB2 HIS 7 2HB HIS 7 -7.537 -4.865 3.711 58 HB3 HIS 7 3HB HIS 7 -6.206 -5.001 2.581 59 HD2 HIS 7 HD2 HIS 7 -6.793 -1.538 4.223 60 HE1 HIS 7 HE1 HIS 7 -3.307 -3.186 5.997 61 HE2 HIS 7 HE2 HIS 7 -4.709 -1.078 5.700 62 H LYS 8 H LYS 8 -9.933 -4.356 2.038 63 HA LYS 8 HA LYS 8 -9.839 -6.198 -0.169 64 HB2 LYS 8 2HB LYS 8 -12.236 -4.747 1.012 65 HB3 LYS 8 3HB LYS 8 -12.302 -6.174 0.016 66 HG2 LYS 8 2HG LYS 8 -10.991 -6.083 2.774 67 HG3 LYS 8 3HG LYS 8 -12.686 -6.453 2.485 68 HD2 LYS 8 2HD LYS 8 -12.094 -8.423 1.152 69 HD3 LYS 8 3HD LYS 8 -10.377 -8.032 1.291 70 HE2 LYS 8 2HE LYS 8 -11.018 -9.867 2.778 71 HE3 LYS 8 3HE LYS 8 -10.367 -8.487 3.662 72 HZ1 LYS 8 1HZ LYS 8 -13.283 -8.858 3.349 73 HZ2 LYS 8 2HZ LYS 8 -12.483 -9.574 4.581 74 HZ3 LYS 8 3HZ LYS 8 -12.490 -7.940 4.456 75 H ASP 9 H ASP 9 -11.353 -2.974 0.086 76 HA ASP 9 HA ASP 9 -12.063 -2.666 -2.638 77 HB2 ASP 9 2HB ASP 9 -12.745 -1.320 -0.524 78 HB3 ASP 9 3HB ASP 9 -11.325 -0.357 -0.846 79 H ALA 10 H ALA 10 -9.127 -1.605 -0.941 80 HA ALA 10 HA ALA 10 -7.839 -0.417 -3.206 81 HB1 ALA 10 1HB ALA 10 -5.884 -0.355 -1.711 82 HB2 ALA 10 2HB ALA 10 -7.347 0.101 -0.822 83 HB3 ALA 10 3HB ALA 10 -6.657 -1.525 -0.622 84 H GLY 11 H GLY 11 -8.392 -3.734 -2.683 85 HA2 GLY 11 2HA GLY 11 -7.607 -5.633 -3.710 86 HA3 GLY 11 3HA GLY 11 -6.813 -4.598 -4.905 87 H TYR 12 H TYR 12 -6.174 -4.621 -1.408 88 HA TYR 12 HA TYR 12 -3.350 -4.539 -1.872 89 HB2 TYR 12 2HB TYR 12 -4.841 -3.506 0.023 90 HB3 TYR 12 3HB TYR 12 -4.614 -5.057 0.825 91 HD1 TYR 12 HD1 TYR 12 -2.713 -2.341 -0.942 92 HD2 TYR 12 HD2 TYR 12 -2.676 -5.265 2.232 93 HE1 TYR 12 HE1 TYR 12 -0.545 -1.456 -0.161 94 HE2 TYR 12 HE2 TYR 12 -0.467 -4.377 3.003 95 HH TYR 12 HH TYR 12 1.124 -1.617 1.346 96 H GLN 13 H GLN 13 -1.752 -5.951 -0.683 97 HA GLN 13 HA GLN 13 -2.463 -8.827 -0.791 98 HB2 GLN 13 2HB GLN 13 -0.608 -9.173 -2.498 99 HB3 GLN 13 3HB GLN 13 -2.135 -8.526 -3.021 100 HG2 GLN 13 2HG GLN 13 -1.044 -6.171 -2.967 101 HG3 GLN 13 3HG GLN 13 0.482 -7.031 -2.714 102 HE21 GLN 13 1HE2 GLN 13 1.332 -6.195 -4.583 103 HE22 GLN 13 2HE2 GLN 13 0.932 -7.080 -6.067 104 H GLU 14 H GLU 14 -0.631 -10.264 -0.528 105 HA GLU 14 HA GLU 14 0.786 -9.587 1.951 106 HB2 GLU 14 2HB GLU 14 1.157 -11.953 2.120 107 HB3 GLU 14 3HB GLU 14 -0.542 -11.591 1.838 108 HG2 GLU 14 2HG GLU 14 1.194 -12.249 -0.530 109 HG3 GLU 14 3HG GLU 14 0.733 -13.547 0.567 110 H SER 15 H SER 15 1.630 -9.538 -1.333 111 HA SER 15 HA SER 15 4.447 -9.054 -0.712 112 HB2 SER 15 2HB SER 15 5.079 -10.713 -2.645 113 HB3 SER 15 3HB SER 15 4.879 -11.278 -0.994 114 HG SER 15 HG SER 15 2.994 -11.472 -3.135 115 HA PRO 16 HA PRO 16 3.902 -6.015 -3.547 116 HB2 PRO 16 2HB PRO 16 6.329 -5.432 -4.629 117 HB3 PRO 16 3HB PRO 16 5.986 -5.319 -2.873 118 HG2 PRO 16 2HG PRO 16 7.281 -7.613 -4.377 119 HG3 PRO 16 3HG PRO 16 7.856 -6.810 -2.882 120 HD2 PRO 16 2HD PRO 16 6.422 -9.131 -2.845 121 HD3 PRO 16 3HD PRO 16 6.218 -7.914 -1.568 122 H ASN 17 H ASN 17 3.941 -5.083 -5.744 123 HA ASN 17 HA ASN 17 3.339 -7.143 -7.794 124 HB2 ASN 17 2HB ASN 17 1.632 -5.477 -7.341 125 HB3 ASN 17 3HB ASN 17 2.757 -4.167 -7.614 126 HD21 ASN 17 1HD2 ASN 17 0.467 -4.034 -9.007 127 HD22 ASN 17 2HD2 ASN 17 0.694 -4.536 -10.669 128 H GLY 18 H GLY 18 5.728 -7.615 -7.595 129 HA2 GLY 18 2HA GLY 18 7.826 -7.646 -8.518 130 HA3 GLY 18 3HA GLY 18 7.121 -6.839 -9.925 131 H ALA 19 H ALA 19 7.891 -4.868 -10.375 132 HA ALA 19 HA ALA 19 9.749 -3.499 -8.609 133 HB1 ALA 19 1HB ALA 19 9.942 -1.931 -10.491 134 HB2 ALA 19 2HB ALA 19 10.047 -3.607 -11.059 135 HB3 ALA 19 3HB ALA 19 8.542 -2.682 -11.285 136 H LYS 20 H LYS 20 6.331 -3.447 -8.677 137 HA LYS 20 HA LYS 20 6.215 -0.649 -7.639 138 HB2 LYS 20 2HB LYS 20 3.865 -2.333 -8.555 139 HB3 LYS 20 3HB LYS 20 3.912 -0.625 -8.133 140 HG2 LYS 20 2HG LYS 20 3.984 -0.319 -10.350 141 HG3 LYS 20 3HG LYS 20 5.719 -0.544 -10.132 142 HD2 LYS 20 2HD LYS 20 5.431 -2.970 -10.759 143 HD3 LYS 20 3HD LYS 20 3.690 -2.680 -10.958 144 HE2 LYS 20 2HE LYS 20 4.336 -0.867 -12.658 145 HE3 LYS 20 3HE LYS 20 5.989 -1.485 -12.569 146 HZ1 LYS 20 1HZ LYS 20 5.023 -3.702 -13.251 147 HZ2 LYS 20 2HZ LYS 20 3.572 -2.971 -13.427 148 HZ3 LYS 20 3HZ LYS 20 4.818 -2.521 -14.393 149 H ARG 21 H ARG 21 5.905 -0.278 -5.604 150 HA ARG 21 HA ARG 21 4.926 -2.274 -3.633 151 HB2 ARG 21 2HB ARG 21 7.095 -3.061 -3.831 152 HB3 ARG 21 3HB ARG 21 7.801 -1.483 -4.130 153 HG2 ARG 21 2HG ARG 21 7.969 -0.917 -1.922 154 HG3 ARG 21 3HG ARG 21 6.674 -1.983 -1.380 155 HD2 ARG 21 2HD ARG 21 8.076 -3.970 -1.836 156 HD3 ARG 21 3HD ARG 21 9.381 -2.914 -2.412 157 HE ARG 21 HE ARG 21 8.519 -2.158 0.240 158 HH11 ARG 21 1HH1 ARG 21 10.385 -4.764 -1.232 159 HH12 ARG 21 2HH1 ARG 21 11.426 -4.889 0.167 160 HH21 ARG 21 1HH2 ARG 21 10.040 -2.242 1.814 161 HH22 ARG 21 2HH2 ARG 21 11.130 -3.588 1.901 162 H CYS 22 H CYS 22 4.425 -1.398 -1.613 163 HA CYS 22 HA CYS 22 3.534 1.295 -1.443 164 HB2 CYS 22 2HB CYS 22 4.061 -0.874 0.617 165 HB3 CYS 22 3HB CYS 22 3.479 0.721 1.060 166 H GLY 23 H GLY 23 6.548 -0.097 0.046 167 HA2 GLY 23 2HA GLY 23 7.477 2.170 1.294 168 HA3 GLY 23 3HA GLY 23 8.511 0.907 0.636 169 H THR 24 H THR 24 7.604 1.699 -2.212 170 HA THR 24 HA THR 24 8.929 4.364 -2.453 171 HB THR 24 HB THR 24 9.682 3.720 -4.719 172 HG1 THR 24 HG1 THR 24 8.976 1.966 -5.498 173 HG21 THR 24 1HG2 THR 24 11.193 3.601 -2.744 174 HG22 THR 24 2HG2 THR 24 10.769 1.885 -2.570 175 HG23 THR 24 3HG2 THR 24 11.600 2.455 -4.032 176 H CYS 25 H CYS 25 6.030 3.591 -2.133 177 HA CYS 25 HA CYS 25 4.806 4.632 -4.612 178 HB2 CYS 25 2HB CYS 25 3.718 2.822 -3.277 179 HB3 CYS 25 3HB CYS 25 3.609 3.923 -1.896 180 H ARG 26 H ARG 26 3.620 6.575 -4.699 181 HA ARG 26 HA ARG 26 4.845 8.767 -3.130 182 HB2 ARG 26 2HB ARG 26 3.077 8.885 -5.595 183 HB3 ARG 26 3HB ARG 26 3.917 10.247 -4.832 184 HG2 ARG 26 2HG ARG 26 6.097 9.188 -5.206 185 HG3 ARG 26 3HG ARG 26 5.331 7.760 -5.906 186 HD2 ARG 26 2HD ARG 26 4.480 9.108 -7.786 187 HD3 ARG 26 3HD ARG 26 5.321 10.527 -7.124 188 HE ARG 26 HE ARG 26 6.947 8.078 -7.473 189 HH11 ARG 26 1HH1 ARG 26 6.009 10.976 -9.300 190 HH12 ARG 26 2HH1 ARG 26 7.569 10.945 -10.108 191 HH21 ARG 26 1HH2 ARG 26 8.932 8.384 -8.450 192 HH22 ARG 26 2HH2 ARG 26 9.014 9.567 -9.754 193 H GLN 27 H GLN 27 2.473 6.853 -2.344 194 HA GLN 27 HA GLN 27 0.900 8.968 -0.920 195 HB2 GLN 27 2HB GLN 27 0.179 6.179 -1.871 196 HB3 GLN 27 3HB GLN 27 -0.848 7.104 -0.795 197 HG2 GLN 27 2HG GLN 27 -0.452 8.995 -2.729 198 HG3 GLN 27 3HG GLN 27 -0.211 7.553 -3.704 199 HE21 GLN 27 1HE2 GLN 27 -2.188 5.986 -3.825 200 HE22 GLN 27 2HE2 GLN 27 -3.745 6.793 -3.664 201 H PHE 28 H PHE 28 3.291 6.618 -0.373 202 HA PHE 28 HA PHE 28 2.427 5.588 2.159 203 HB2 PHE 28 2HB PHE 28 3.894 4.476 0.490 204 HB3 PHE 28 3HB PHE 28 5.170 5.623 0.851 205 HD1 PHE 28 HD1 PHE 28 2.922 3.091 2.505 206 HD2 PHE 28 HD2 PHE 28 6.774 5.031 2.500 207 HE1 PHE 28 HE1 PHE 28 3.697 1.575 4.313 208 HE2 PHE 28 HE2 PHE 28 7.536 3.503 4.302 209 HZ PHE 28 HZ PHE 28 5.998 1.771 5.210 210 H ARG 29 H ARG 29 3.458 5.795 4.193 211 HA ARG 29 HA ARG 29 5.339 8.019 4.752 212 HB2 ARG 29 2HB ARG 29 3.339 9.173 5.167 213 HB3 ARG 29 3HB ARG 29 2.550 7.782 5.872 214 HG2 ARG 29 2HG ARG 29 3.003 9.464 7.539 215 HG3 ARG 29 3HG ARG 29 3.891 8.000 7.932 216 HD2 ARG 29 2HD ARG 29 5.994 8.986 7.308 217 HD3 ARG 29 3HD ARG 29 5.189 10.288 6.432 218 HE ARG 29 HE ARG 29 4.464 11.286 8.489 219 HH11 ARG 29 1HH1 ARG 29 6.743 8.697 9.282 220 HH12 ARG 29 2HH1 ARG 29 7.413 9.672 10.591 221 HH21 ARG 29 1HH2 ARG 29 5.351 12.297 10.264 222 HH22 ARG 29 2HH2 ARG 29 6.650 11.484 11.134 223 HA PRO 30 HA PRO 30 6.828 4.376 7.034 224 HB2 PRO 30 2HB PRO 30 8.915 6.403 7.830 225 HB3 PRO 30 3HB PRO 30 9.130 4.699 7.323 226 HG2 PRO 30 2HG PRO 30 9.649 6.735 5.600 227 HG3 PRO 30 3HG PRO 30 8.814 5.258 5.032 228 HD2 PRO 30 2HD PRO 30 7.610 7.929 5.787 229 HD3 PRO 30 3HD PRO 30 7.234 6.869 4.392 230 HA PRO 31 HA PRO 31 7.735 3.289 8.919 231 HB2 PRO 31 2HB PRO 31 6.722 1.805 10.965 232 HB3 PRO 31 3HB PRO 31 8.017 3.015 11.187 233 HG2 PRO 31 2HG PRO 31 5.039 3.365 11.674 234 HG3 PRO 31 3HG PRO 31 6.395 3.800 12.762 235 HD2 PRO 31 2HD PRO 31 5.219 5.646 11.119 236 HD3 PRO 31 3HD PRO 31 6.970 5.676 11.450 237 H SER 32 H SER 32 4.189 3.662 9.510 238 HA SER 32 HA SER 32 3.623 1.484 7.573 239 HB2 SER 32 2HB SER 32 2.324 0.233 9.243 240 HB3 SER 32 3HB SER 32 4.028 0.344 9.677 241 HG SER 32 HG SER 32 1.995 2.051 10.705 242 H SER 33 H SER 33 3.006 4.144 7.066 243 HA SER 33 HA SER 33 0.013 4.155 7.272 244 HB2 SER 33 2HB SER 33 1.973 6.455 7.498 245 HB3 SER 33 3HB SER 33 0.235 6.672 7.231 246 HG SER 33 HG SER 33 1.518 5.386 9.434 247 H CYS 34 H CYS 34 -1.170 5.063 5.562 248 HA CYS 34 HA CYS 34 0.184 5.826 3.044 249 HB2 CYS 34 2HB CYS 34 -0.092 3.495 2.574 250 HB3 CYS 34 3HB CYS 34 -1.724 3.471 3.289 251 H ILE 35 H ILE 35 -0.949 7.319 1.895 252 HA ILE 35 HA ILE 35 -3.110 8.576 3.388 253 HB ILE 35 HB ILE 35 -0.992 9.667 2.378 254 HG12 ILE 35 2HG1 ILE 35 -2.052 11.861 2.106 255 HG13 ILE 35 3HG1 ILE 35 -3.652 11.122 2.157 256 HG21 ILE 35 1HG2 ILE 35 -2.789 10.177 -0.009 257 HG22 ILE 35 2HG2 ILE 35 -1.077 10.575 0.217 258 HG23 ILE 35 3HG2 ILE 35 -1.571 8.895 0.021 259 HD11 ILE 35 1HD1 ILE 35 -1.572 10.978 4.379 260 HD12 ILE 35 2HD1 ILE 35 -2.928 12.123 4.332 261 HD13 ILE 35 3HD1 ILE 35 -3.241 10.391 4.484 262 H THR 36 H THR 36 -3.437 6.133 1.300 263 HA THR 36 HA THR 36 -6.145 7.153 0.483 264 HB THR 36 HB THR 36 -4.560 6.925 -1.415 265 HG1 THR 36 HG1 THR 36 -6.125 6.433 -2.651 266 HG21 THR 36 1HG2 THR 36 -3.437 4.803 -0.904 267 HG22 THR 36 2HG2 THR 36 -4.978 3.932 -1.042 268 HG23 THR 36 3HG2 THR 36 -4.275 4.722 -2.457 269 H VAL 37 H VAL 37 -4.363 4.235 1.562 270 HA VAL 37 HA VAL 37 -6.964 2.852 1.968 271 HB VAL 37 HB VAL 37 -5.280 1.791 0.529 272 HG11 VAL 37 1HG1 VAL 37 -3.315 0.691 1.524 273 HG12 VAL 37 2HG1 VAL 37 -3.208 2.440 1.635 274 HG13 VAL 37 3HG1 VAL 37 -3.637 1.495 3.077 275 HG21 VAL 37 1HG2 VAL 37 -6.958 0.400 1.700 276 HG22 VAL 37 2HG2 VAL 37 -5.433 -0.447 1.408 277 HG23 VAL 37 3HG2 VAL 37 -5.792 0.156 3.029 278 H GLU 38 H GLU 38 -7.433 1.704 3.880 279 HA GLU 38 HA GLU 38 -6.860 2.998 6.336 280 HB2 GLU 38 2HB GLU 38 -8.061 0.321 5.595 281 HB3 GLU 38 3HB GLU 38 -7.793 0.724 7.283 282 HG2 GLU 38 2HG GLU 38 -9.433 2.435 5.375 283 HG3 GLU 38 3HG GLU 38 -10.087 1.213 6.459 284 H SER 39 H SER 39 -5.903 2.102 8.287 285 HA SER 39 HA SER 39 -3.294 0.822 7.672 286 HB2 SER 39 2HB SER 39 -2.179 2.671 8.779 287 HB3 SER 39 3HB SER 39 -3.228 3.259 7.494 288 HG SER 39 HG SER 39 -3.235 4.303 9.672 289 HA PRO 40 HA PRO 40 -1.124 1.144 9.583 290 HB2 PRO 40 2HB PRO 40 -0.510 -1.633 10.529 291 HB3 PRO 40 3HB PRO 40 0.409 -0.117 10.765 292 HG2 PRO 40 2HG PRO 40 -1.106 -1.085 12.777 293 HG3 PRO 40 3HG PRO 40 -1.157 0.672 12.393 294 HD2 PRO 40 2HD PRO 40 -3.101 -1.490 11.524 295 HD3 PRO 40 3HD PRO 40 -3.449 0.101 12.260 296 H ILE 41 H ILE 41 0.249 0.572 7.865 297 HA ILE 41 HA ILE 41 -0.738 -1.521 5.990 298 HB ILE 41 HB ILE 41 -1.342 0.987 5.536 299 HG12 ILE 41 2HG1 ILE 41 -1.148 0.812 3.130 300 HG13 ILE 41 3HG1 ILE 41 -0.022 -0.520 3.274 301 HG21 ILE 41 1HG2 ILE 41 1.487 0.999 4.404 302 HG22 ILE 41 2HG2 ILE 41 0.306 2.306 4.385 303 HG23 ILE 41 3HG2 ILE 41 1.016 1.794 5.915 304 HD11 ILE 41 1HD1 ILE 41 -2.896 -0.575 4.281 305 HD12 ILE 41 2HD1 ILE 41 -2.384 -1.197 2.707 306 HD13 ILE 41 3HD1 ILE 41 -1.791 -1.970 4.180 307 H SER 42 H SER 42 0.938 -2.195 4.334 308 HA SER 42 HA SER 42 3.371 -2.874 5.821 309 HB2 SER 42 2HB SER 42 2.060 -4.523 4.460 310 HB3 SER 42 3HB SER 42 2.597 -3.668 3.002 311 HG SER 42 HG SER 42 4.090 -5.124 4.903 312 H GLU 43 H GLU 43 5.524 -2.582 5.055 313 HA GLU 43 HA GLU 43 6.175 -0.279 3.386 314 HB2 GLU 43 2HB GLU 43 8.449 -1.007 3.706 315 HB3 GLU 43 3HB GLU 43 7.612 -1.132 5.248 316 HG2 GLU 43 2HG GLU 43 7.336 -3.621 4.857 317 HG3 GLU 43 3HG GLU 43 8.180 -3.411 3.357 318 H ASN 44 H ASN 44 4.960 -3.347 2.702 319 HA ASN 44 HA ASN 44 6.570 -3.806 0.278 320 HB2 ASN 44 2HB ASN 44 6.492 -5.247 2.440 321 HB3 ASN 44 3HB ASN 44 4.969 -5.864 1.832 322 HD21 ASN 44 1HD2 ASN 44 5.861 -7.848 1.915 323 HD22 ASN 44 2HD2 ASN 44 6.949 -8.376 0.648 324 H GLY 45 H GLY 45 3.405 -5.348 0.804 325 HA2 GLY 45 2HA GLY 45 1.389 -5.206 -0.293 326 HA3 GLY 45 3HA GLY 45 1.705 -3.514 0.015 327 H TRP 46 H TRP 46 1.914 -2.106 -1.563 328 HA TRP 46 HA TRP 46 1.315 -1.120 -3.461 329 HB2 TRP 46 2HB TRP 46 2.883 -2.333 -4.782 330 HB3 TRP 46 3HB TRP 46 1.809 -3.711 -4.916 331 HD1 TRP 46 HD1 TRP 46 2.380 -0.273 -6.400 332 HE1 TRP 46 HE1 TRP 46 1.000 -0.067 -8.574 333 HE3 TRP 46 HE3 TRP 46 -0.571 -4.424 -5.891 334 HZ2 TRP 46 HZ2 TRP 46 -1.134 -1.485 -9.874 335 HZ3 TRP 46 HZ3 TRP 46 -2.300 -4.951 -7.594 336 HH2 TRP 46 HH2 TRP 46 -2.587 -3.495 -9.587 337 H CYS 47 H CYS 47 -0.552 -0.539 -4.437 338 HA CYS 47 HA CYS 47 -2.961 -2.248 -3.974 339 HB2 CYS 47 2HB CYS 47 -4.178 -0.251 -3.320 340 HB3 CYS 47 3HB CYS 47 -2.702 -0.328 -2.346 341 H ARG 48 H ARG 48 -4.757 -1.880 -5.297 342 HA ARG 48 HA ARG 48 -4.193 -1.355 -8.130 343 HB2 ARG 48 2HB ARG 48 -6.759 -2.101 -6.657 344 HB3 ARG 48 3HB ARG 48 -6.579 -2.018 -8.413 345 HG2 ARG 48 2HG ARG 48 -4.837 -3.786 -8.322 346 HG3 ARG 48 3HG ARG 48 -5.109 -3.959 -6.578 347 HD2 ARG 48 2HD ARG 48 -7.443 -4.598 -6.954 348 HD3 ARG 48 3HD ARG 48 -7.296 -4.251 -8.681 349 HE ARG 48 HE ARG 48 -5.344 -6.132 -8.302 350 HH11 ARG 48 1HH1 ARG 48 -8.843 -6.122 -7.932 351 HH12 ARG 48 2HH1 ARG 48 -8.972 -7.783 -8.441 352 HH21 ARG 48 1HH2 ARG 48 -5.559 -8.282 -8.638 353 HH22 ARG 48 2HH2 ARG 48 -7.150 -8.968 -8.889 354 H LEU 49 H LEU 49 -4.517 0.868 -5.827 355 HA LEU 49 HA LEU 49 -6.523 2.650 -7.116 356 HB2 LEU 49 2HB LEU 49 -4.963 2.939 -4.518 357 HB3 LEU 49 3HB LEU 49 -6.256 3.994 -5.068 358 HG LEU 49 HG LEU 49 -6.570 1.053 -4.331 359 HD11 LEU 49 1HD1 LEU 49 -7.377 3.599 -2.876 360 HD12 LEU 49 2HD1 LEU 49 -7.836 1.952 -2.398 361 HD13 LEU 49 3HD1 LEU 49 -6.131 2.430 -2.385 362 HD21 LEU 49 1HD2 LEU 49 -8.257 1.710 -6.017 363 HD22 LEU 49 2HD2 LEU 49 -9.005 1.491 -4.433 364 HD23 LEU 49 3HD2 LEU 49 -8.684 3.130 -5.037 365 H TYR 50 H TYR 50 -5.879 5.044 -7.192 366 HA TYR 50 HA TYR 50 -3.135 5.269 -8.367 367 HB2 TYR 50 2HB TYR 50 -4.049 6.762 -10.054 368 HB3 TYR 50 3HB TYR 50 -4.686 5.135 -10.148 369 HD1 TYR 50 HD1 TYR 50 -5.498 8.666 -9.357 370 HD2 TYR 50 HD2 TYR 50 -7.056 4.667 -9.803 371 HE1 TYR 50 HE1 TYR 50 -7.826 9.564 -9.357 372 HE2 TYR 50 HE2 TYR 50 -9.375 5.567 -9.798 373 HH TYR 50 HH TYR 50 -10.695 7.430 -9.521 374 H ALA 51 H ALA 51 -1.894 6.967 -8.028 375 HA ALA 51 HA ALA 51 -2.489 8.783 -5.829 376 HB1 ALA 51 1HB ALA 51 -0.285 7.712 -6.091 377 HB2 ALA 51 2HB ALA 51 -0.062 8.518 -7.657 378 HB3 ALA 51 3HB ALA 51 -0.132 9.469 -6.165 379 H GLY 52 H GLY 52 -2.280 11.064 -5.889 380 HA2 GLY 52 2HA GLY 52 -3.091 12.533 -8.234 381 HA3 GLY 52 3HA GLY 52 -2.627 13.194 -6.666 382 H LYS 53 H LYS 53 -0.135 11.927 -6.431 383 HA LYS 53 HA LYS 53 1.685 13.383 -8.250 384 HB2 LYS 53 2HB LYS 53 2.044 11.505 -5.899 385 HB3 LYS 53 3HB LYS 53 3.389 11.846 -6.979 386 HG2 LYS 53 2HG LYS 53 3.492 13.225 -5.024 387 HG3 LYS 53 3HG LYS 53 3.360 14.195 -6.489 388 HD2 LYS 53 2HD LYS 53 1.131 14.843 -6.026 389 HD3 LYS 53 3HD LYS 53 0.903 13.576 -4.826 390 HE2 LYS 53 2HE LYS 53 2.774 15.960 -4.482 391 HE3 LYS 53 3HE LYS 53 1.132 15.839 -3.840 392 HZ1 LYS 53 1HZ LYS 53 2.560 15.148 -2.082 393 HZ2 LYS 53 2HZ LYS 53 1.919 13.771 -2.671 394 HZ3 LYS 53 3HZ LYS 53 3.459 14.191 -3.041 395 H ALA 54 H ALA 54 0.896 12.624 -10.178 396 HA ALA 54 HA ALA 54 1.903 9.967 -11.092 397 HB1 ALA 54 1HB ALA 54 -0.208 9.812 -12.447 398 HB2 ALA 54 2HB ALA 54 -0.502 9.795 -10.698 399 HB3 ALA 54 3HB ALA 54 -0.797 11.274 -11.634 Start of MODEL 16 1 H1 VAL 1 1H VAL 1 -16.991 12.075 10.307 2 H2 VAL 1 2H VAL 1 -16.304 12.356 8.842 3 H3 VAL 1 3H VAL 1 -15.918 13.298 10.133 4 HA VAL 1 HA VAL 1 -14.111 11.805 9.757 5 HB VAL 1 HB VAL 1 -15.720 10.838 12.158 6 HG11 VAL 1 1HG1 VAL 1 -12.715 10.832 11.619 7 HG12 VAL 1 2HG1 VAL 1 -13.503 10.328 13.124 8 HG13 VAL 1 3HG1 VAL 1 -13.755 9.388 11.657 9 HG21 VAL 1 1HG2 VAL 1 -15.442 13.294 12.233 10 HG22 VAL 1 2HG2 VAL 1 -14.446 12.492 13.441 11 HG23 VAL 1 3HG2 VAL 1 -13.691 13.108 11.959 12 H THR 2 H THR 2 -14.168 10.573 7.947 13 HA THR 2 HA THR 2 -15.765 8.058 7.958 14 HB THR 2 HB THR 2 -15.894 9.713 6.056 15 HG1 THR 2 HG1 THR 2 -16.473 8.088 4.921 16 HG21 THR 2 1HG2 THR 2 -14.295 9.550 4.272 17 HG22 THR 2 2HG2 THR 2 -13.447 10.113 5.718 18 HG23 THR 2 3HG2 THR 2 -13.274 8.426 5.191 19 H LYS 3 H LYS 3 -14.761 6.197 6.873 20 HA LYS 3 HA LYS 3 -12.011 5.636 7.914 21 HB2 LYS 3 2HB LYS 3 -14.246 4.223 8.500 22 HB3 LYS 3 3HB LYS 3 -13.869 3.465 6.959 23 HG2 LYS 3 2HG LYS 3 -12.783 2.111 8.513 24 HG3 LYS 3 3HG LYS 3 -11.464 3.136 7.938 25 HD2 LYS 3 2HD LYS 3 -11.909 4.643 9.956 26 HD3 LYS 3 3HD LYS 3 -13.079 3.451 10.518 27 HE2 LYS 3 2HE LYS 3 -10.088 3.002 10.107 28 HE3 LYS 3 3HE LYS 3 -10.921 3.243 11.644 29 HZ1 LYS 3 1HZ LYS 3 -12.243 1.163 10.968 30 HZ2 LYS 3 2HZ LYS 3 -11.057 0.910 9.856 31 HZ3 LYS 3 3HZ LYS 3 -10.668 0.946 11.438 32 H LYS 4 H LYS 4 -10.475 4.609 6.540 33 HA LYS 4 HA LYS 4 -10.776 5.192 3.676 34 HB2 LYS 4 2HB LYS 4 -8.523 3.951 5.290 35 HB3 LYS 4 3HB LYS 4 -8.428 4.174 3.553 36 HG2 LYS 4 2HG LYS 4 -9.307 6.577 4.988 37 HG3 LYS 4 3HG LYS 4 -7.680 6.054 5.451 38 HD2 LYS 4 2HD LYS 4 -7.306 7.599 3.741 39 HD3 LYS 4 3HD LYS 4 -7.228 6.049 2.877 40 HE2 LYS 4 2HE LYS 4 -9.639 6.335 2.259 41 HE3 LYS 4 3HE LYS 4 -9.672 7.882 3.103 42 HZ1 LYS 4 1HZ LYS 4 -8.273 8.826 1.500 43 HZ2 LYS 4 2HZ LYS 4 -7.785 7.366 0.894 44 HZ3 LYS 4 3HZ LYS 4 -9.324 7.892 0.622 45 H ALA 5 H ALA 5 -9.979 3.650 2.166 46 HA ALA 5 HA ALA 5 -11.942 1.636 1.801 47 HB1 ALA 5 1HB ALA 5 -9.277 1.922 0.365 48 HB2 ALA 5 2HB ALA 5 -10.691 1.043 -0.228 49 HB3 ALA 5 3HB ALA 5 -10.776 2.795 -0.041 50 H SER 6 H SER 6 -12.013 -0.587 2.011 51 HA SER 6 HA SER 6 -10.256 -1.869 3.904 52 HB2 SER 6 2HB SER 6 -11.549 -3.776 3.685 53 HB3 SER 6 3HB SER 6 -12.707 -2.481 3.354 54 HG SER 6 HG SER 6 -12.746 -4.298 1.884 55 H HIS 7 H HIS 7 -9.061 -3.951 3.464 56 HA HIS 7 HA HIS 7 -7.092 -3.481 1.409 57 HB2 HIS 7 2HB HIS 7 -7.585 -5.740 3.355 58 HB3 HIS 7 3HB HIS 7 -6.292 -5.790 2.181 59 HD2 HIS 7 HD2 HIS 7 -7.445 -3.419 5.091 60 HE1 HIS 7 HE1 HIS 7 -3.303 -2.737 4.411 61 HE2 HIS 7 HE2 HIS 7 -5.285 -2.083 5.834 62 H LYS 8 H LYS 8 -10.106 -5.279 1.246 63 HA LYS 8 HA LYS 8 -9.549 -6.551 -1.343 64 HB2 LYS 8 2HB LYS 8 -11.331 -7.380 0.097 65 HB3 LYS 8 3HB LYS 8 -12.160 -5.827 -0.015 66 HG2 LYS 8 2HG LYS 8 -13.225 -7.270 -1.503 67 HG3 LYS 8 3HG LYS 8 -12.357 -6.149 -2.517 68 HD2 LYS 8 2HD LYS 8 -10.588 -7.898 -2.899 69 HD3 LYS 8 3HD LYS 8 -11.502 -9.007 -1.865 70 HE2 LYS 8 2HE LYS 8 -13.478 -8.727 -3.432 71 HE3 LYS 8 3HE LYS 8 -12.436 -7.771 -4.494 72 HZ1 LYS 8 1HZ LYS 8 -12.455 -10.052 -5.258 73 HZ2 LYS 8 2HZ LYS 8 -10.976 -9.783 -4.660 74 HZ3 LYS 8 3HZ LYS 8 -12.059 -10.641 -3.780 75 H ASP 9 H ASP 9 -11.373 -3.643 -0.389 76 HA ASP 9 HA ASP 9 -11.969 -2.680 -2.953 77 HB2 ASP 9 2HB ASP 9 -12.843 -2.078 -0.610 78 HB3 ASP 9 3HB ASP 9 -11.501 -0.979 -0.508 79 H ALA 10 H ALA 10 -9.176 -1.953 -0.934 80 HA ALA 10 HA ALA 10 -7.925 -0.121 -2.821 81 HB1 ALA 10 1HB ALA 10 -6.806 -1.521 -0.373 82 HB2 ALA 10 2HB ALA 10 -6.099 -0.115 -1.198 83 HB3 ALA 10 3HB ALA 10 -7.662 0.041 -0.374 84 H GLY 11 H GLY 11 -7.945 -3.592 -2.748 85 HA2 GLY 11 2HA GLY 11 -7.004 -5.011 -4.316 86 HA3 GLY 11 3HA GLY 11 -6.040 -3.692 -4.968 87 H TYR 12 H TYR 12 -5.856 -4.602 -1.533 88 HA TYR 12 HA TYR 12 -3.079 -4.851 -1.339 89 HB2 TYR 12 2HB TYR 12 -4.577 -4.686 0.586 90 HB3 TYR 12 3HB TYR 12 -5.295 -6.252 0.194 91 HD1 TYR 12 HD1 TYR 12 -2.271 -4.594 1.526 92 HD2 TYR 12 HD2 TYR 12 -4.278 -8.346 0.843 93 HE1 TYR 12 HE1 TYR 12 -0.568 -5.754 2.899 94 HE2 TYR 12 HE2 TYR 12 -2.538 -9.521 2.181 95 HH TYR 12 HH TYR 12 0.226 -7.752 3.631 96 H GLN 13 H GLN 13 -1.570 -6.440 -1.418 97 HA GLN 13 HA GLN 13 -2.289 -9.260 -1.847 98 HB2 GLN 13 2HB GLN 13 -0.667 -9.404 -3.761 99 HB3 GLN 13 3HB GLN 13 -2.190 -8.623 -4.093 100 HG2 GLN 13 2HG GLN 13 -1.012 -6.352 -3.830 101 HG3 GLN 13 3HG GLN 13 0.510 -7.251 -3.721 102 HE21 GLN 13 1HE2 GLN 13 1.600 -7.027 -5.523 103 HE22 GLN 13 2HE2 GLN 13 0.887 -7.366 -7.084 104 H GLU 14 H GLU 14 -0.942 -10.679 -1.015 105 HA GLU 14 HA GLU 14 1.084 -9.866 0.765 106 HB2 GLU 14 2HB GLU 14 1.351 -12.162 1.279 107 HB3 GLU 14 3HB GLU 14 -0.346 -11.792 1.043 108 HG2 GLU 14 2HG GLU 14 -0.294 -13.724 -0.146 109 HG3 GLU 14 3HG GLU 14 0.162 -12.626 -1.448 110 H SER 15 H SER 15 1.465 -10.145 -2.560 111 HA SER 15 HA SER 15 4.424 -10.251 -2.301 112 HB2 SER 15 2HB SER 15 4.217 -11.454 -4.696 113 HB3 SER 15 3HB SER 15 4.482 -12.267 -3.162 114 HG SER 15 HG SER 15 2.432 -12.975 -3.122 115 HA PRO 16 HA PRO 16 4.131 -6.563 -4.425 116 HB2 PRO 16 2HB PRO 16 6.643 -6.114 -5.416 117 HB3 PRO 16 3HB PRO 16 6.249 -6.181 -3.670 118 HG2 PRO 16 2HG PRO 16 7.420 -8.365 -5.390 119 HG3 PRO 16 3HG PRO 16 7.925 -7.843 -3.755 120 HD2 PRO 16 2HD PRO 16 6.275 -9.998 -4.205 121 HD3 PRO 16 3HD PRO 16 6.159 -9.014 -2.734 122 H ASN 17 H ASN 17 4.019 -5.347 -6.357 123 HA ASN 17 HA ASN 17 3.235 -6.978 -8.702 124 HB2 ASN 17 2HB ASN 17 1.612 -5.403 -7.761 125 HB3 ASN 17 3HB ASN 17 2.746 -4.092 -7.880 126 HD21 ASN 17 1HD2 ASN 17 0.687 -3.285 -9.037 127 HD22 ASN 17 2HD2 ASN 17 0.524 -3.643 -10.739 128 H GLY 18 H GLY 18 5.461 -7.548 -9.201 129 HA2 GLY 18 2HA GLY 18 7.432 -7.330 -10.399 130 HA3 GLY 18 3HA GLY 18 6.832 -5.808 -11.062 131 H ALA 19 H ALA 19 7.999 -4.108 -10.507 132 HA ALA 19 HA ALA 19 9.723 -4.047 -8.121 133 HB1 ALA 19 1HB ALA 19 9.198 -1.976 -10.294 134 HB2 ALA 19 2HB ALA 19 10.497 -1.932 -9.086 135 HB3 ALA 19 3HB ALA 19 10.486 -3.201 -10.320 136 H LYS 20 H LYS 20 6.403 -3.340 -8.566 137 HA LYS 20 HA LYS 20 6.458 -0.927 -6.871 138 HB2 LYS 20 2HB LYS 20 4.140 -2.169 -8.395 139 HB3 LYS 20 3HB LYS 20 4.121 -0.667 -7.485 140 HG2 LYS 20 2HG LYS 20 4.457 0.218 -9.516 141 HG3 LYS 20 3HG LYS 20 6.147 0.000 -9.068 142 HD2 LYS 20 2HD LYS 20 6.279 -2.046 -10.420 143 HD3 LYS 20 3HD LYS 20 4.549 -1.985 -10.761 144 HE2 LYS 20 2HE LYS 20 6.562 0.155 -11.592 145 HE3 LYS 20 3HE LYS 20 6.040 -1.182 -12.626 146 HZ1 LYS 20 1HZ LYS 20 4.263 0.961 -11.569 147 HZ2 LYS 20 2HZ LYS 20 4.708 0.739 -13.136 148 HZ3 LYS 20 3HZ LYS 20 3.744 -0.349 -12.387 149 H ARG 21 H ARG 21 6.203 -0.944 -4.810 150 HA ARG 21 HA ARG 21 3.833 -2.081 -3.639 151 HB2 ARG 21 2HB ARG 21 4.670 -3.548 -2.039 152 HB3 ARG 21 3HB ARG 21 5.677 -3.938 -3.429 153 HG2 ARG 21 2HG ARG 21 7.420 -2.300 -2.436 154 HG3 ARG 21 3HG ARG 21 6.388 -2.272 -0.997 155 HD2 ARG 21 2HD ARG 21 6.585 -4.809 -0.930 156 HD3 ARG 21 3HD ARG 21 7.866 -4.660 -2.137 157 HE ARG 21 HE ARG 21 7.911 -3.767 0.699 158 HH11 ARG 21 1HH1 ARG 21 9.654 -3.420 -2.364 159 HH12 ARG 21 2HH1 ARG 21 11.184 -3.296 -1.543 160 HH21 ARG 21 1HH2 ARG 21 9.859 -3.479 1.656 161 HH22 ARG 21 2HH2 ARG 21 11.265 -3.142 0.671 162 H CYS 22 H CYS 22 3.681 -1.315 -1.218 163 HA CYS 22 HA CYS 22 3.885 1.324 -0.779 164 HB2 CYS 22 2HB CYS 22 4.328 -0.864 1.290 165 HB3 CYS 22 3HB CYS 22 3.571 0.724 1.529 166 H GLY 23 H GLY 23 6.620 -0.864 0.271 167 HA2 GLY 23 2HA GLY 23 8.432 1.048 1.135 168 HA3 GLY 23 3HA GLY 23 8.877 -0.471 0.369 169 H THR 24 H THR 24 7.543 0.633 -2.265 170 HA THR 24 HA THR 24 9.670 2.578 -3.088 171 HB THR 24 HB THR 24 9.290 1.656 -5.404 172 HG1 THR 24 HG1 THR 24 7.377 0.623 -5.172 173 HG21 THR 24 1HG2 THR 24 10.302 -0.339 -3.339 174 HG22 THR 24 2HG2 THR 24 10.630 -0.360 -5.085 175 HG23 THR 24 3HG2 THR 24 11.244 0.970 -4.092 176 H CYS 25 H CYS 25 6.541 2.606 -2.197 177 HA CYS 25 HA CYS 25 5.191 3.680 -4.457 178 HB2 CYS 25 2HB CYS 25 4.047 2.498 -2.697 179 HB3 CYS 25 3HB CYS 25 4.566 3.671 -1.486 180 H ARG 26 H ARG 26 4.157 5.638 -4.698 181 HA ARG 26 HA ARG 26 5.750 8.072 -4.213 182 HB2 ARG 26 2HB ARG 26 3.153 7.462 -5.698 183 HB3 ARG 26 3HB ARG 26 3.817 9.097 -5.558 184 HG2 ARG 26 2HG ARG 26 5.832 8.498 -6.700 185 HG3 ARG 26 3HG ARG 26 5.411 6.773 -6.721 186 HD2 ARG 26 2HD ARG 26 3.532 7.195 -8.213 187 HD3 ARG 26 3HD ARG 26 3.829 8.946 -8.140 188 HE ARG 26 HE ARG 26 6.231 7.706 -8.988 189 HH11 ARG 26 1HH1 ARG 26 2.971 8.006 -10.352 190 HH12 ARG 26 2HH1 ARG 26 3.641 8.333 -11.953 191 HH21 ARG 26 1HH2 ARG 26 6.886 7.921 -11.171 192 HH22 ARG 26 2HH2 ARG 26 5.632 8.148 -12.379 193 H GLN 27 H GLN 27 3.421 6.430 -2.382 194 HA GLN 27 HA GLN 27 2.725 8.888 -0.869 195 HB2 GLN 27 2HB GLN 27 1.120 8.405 -2.722 196 HB3 GLN 27 3HB GLN 27 0.754 6.848 -1.988 197 HG2 GLN 27 2HG GLN 27 -0.900 8.734 -1.641 198 HG3 GLN 27 3HG GLN 27 -0.426 7.870 -0.194 199 HE21 GLN 27 1HE2 GLN 27 0.902 8.976 1.381 200 HE22 GLN 27 2HE2 GLN 27 1.158 10.720 1.287 201 H PHE 28 H PHE 28 4.276 6.164 -0.253 202 HA PHE 28 HA PHE 28 2.724 4.973 1.877 203 HB2 PHE 28 2HB PHE 28 4.466 3.769 0.725 204 HB3 PHE 28 3HB PHE 28 5.688 4.933 1.219 205 HD1 PHE 28 HD1 PHE 28 3.018 2.923 3.018 206 HD2 PHE 28 HD2 PHE 28 7.188 3.990 2.746 207 HE1 PHE 28 HE1 PHE 28 3.511 1.515 4.996 208 HE2 PHE 28 HE2 PHE 28 7.679 2.565 4.714 209 HZ PHE 28 HZ PHE 28 5.841 1.332 5.851 210 H ARG 29 H ARG 29 4.794 7.757 1.795 211 HA ARG 29 HA ARG 29 5.916 8.938 3.378 212 HB2 ARG 29 2HB ARG 29 3.801 10.019 2.806 213 HB3 ARG 29 3HB ARG 29 3.030 9.295 4.205 214 HG2 ARG 29 2HG ARG 29 3.689 11.660 4.572 215 HG3 ARG 29 3HG ARG 29 4.472 10.576 5.722 216 HD2 ARG 29 2HD ARG 29 6.560 10.641 4.394 217 HD3 ARG 29 3HD ARG 29 5.778 11.700 3.201 218 HE ARG 29 HE ARG 29 5.444 13.071 5.555 219 HH11 ARG 29 1HH1 ARG 29 8.360 11.810 4.005 220 HH12 ARG 29 2HH1 ARG 29 9.332 13.048 4.783 221 HH21 ARG 29 1HH2 ARG 29 6.837 14.544 6.486 222 HH22 ARG 29 2HH2 ARG 29 8.543 14.464 6.048 223 HA PRO 30 HA PRO 30 6.201 5.665 6.460 224 HB2 PRO 30 2HB PRO 30 8.883 6.033 7.209 225 HB3 PRO 30 3HB PRO 30 8.274 5.030 5.859 226 HG2 PRO 30 2HG PRO 30 9.258 7.888 5.782 227 HG3 PRO 30 3HG PRO 30 9.665 6.544 4.665 228 HD2 PRO 30 2HD PRO 30 7.823 8.382 4.008 229 HD3 PRO 30 3HD PRO 30 7.520 6.658 3.630 230 HA PRO 31 HA PRO 31 7.388 4.637 8.474 231 HB2 PRO 31 2HB PRO 31 6.193 3.712 10.740 232 HB3 PRO 31 3HB PRO 31 7.735 4.613 10.733 233 HG2 PRO 31 2HG PRO 31 4.945 5.724 11.200 234 HG3 PRO 31 3HG PRO 31 6.413 5.953 12.215 235 HD2 PRO 31 2HD PRO 31 5.683 7.801 10.379 236 HD3 PRO 31 3HD PRO 31 7.403 7.374 10.598 237 H SER 32 H SER 32 4.060 5.912 8.475 238 HA SER 32 HA SER 32 3.195 3.614 6.868 239 HB2 SER 32 2HB SER 32 1.443 2.841 8.424 240 HB3 SER 32 3HB SER 32 3.051 2.645 9.108 241 HG SER 32 HG SER 32 0.970 3.991 10.068 242 H SER 33 H SER 33 2.988 6.738 6.633 243 HA SER 33 HA SER 33 0.043 7.073 6.795 244 HB2 SER 33 2HB SER 33 2.127 9.168 6.220 245 HB3 SER 33 3HB SER 33 0.360 9.351 6.310 246 HG SER 33 HG SER 33 0.434 8.686 8.495 247 H CYS 34 H CYS 34 0.157 5.394 5.137 248 HA CYS 34 HA CYS 34 -0.147 6.380 2.357 249 HB2 CYS 34 2HB CYS 34 0.390 4.031 2.609 250 HB3 CYS 34 3HB CYS 34 -0.982 3.797 3.699 251 H ILE 35 H ILE 35 -2.074 6.806 1.411 252 HA ILE 35 HA ILE 35 -4.470 7.167 3.135 253 HB ILE 35 HB ILE 35 -5.061 9.228 1.832 254 HG12 ILE 35 2HG1 ILE 35 -3.295 10.601 0.882 255 HG13 ILE 35 3HG1 ILE 35 -2.098 9.334 1.123 256 HG21 ILE 35 1HG2 ILE 35 -2.584 9.379 3.591 257 HG22 ILE 35 2HG2 ILE 35 -3.745 10.683 3.267 258 HG23 ILE 35 3HG2 ILE 35 -4.265 9.241 4.158 259 HD11 ILE 35 1HD1 ILE 35 -3.130 7.954 -0.599 260 HD12 ILE 35 2HD1 ILE 35 -4.535 9.039 -0.673 261 HD13 ILE 35 3HD1 ILE 35 -2.964 9.602 -1.244 262 H THR 36 H THR 36 -3.412 5.164 0.950 263 HA THR 36 HA THR 36 -5.875 5.172 -0.718 264 HB THR 36 HB THR 36 -3.618 3.153 -0.798 265 HG1 THR 36 HG1 THR 36 -2.557 4.450 -1.913 266 HG21 THR 36 1HG2 THR 36 -5.913 3.902 -2.679 267 HG22 THR 36 2HG2 THR 36 -4.558 2.873 -3.146 268 HG23 THR 36 3HG2 THR 36 -5.646 2.346 -1.871 269 H VAL 37 H VAL 37 -4.393 3.307 1.974 270 HA VAL 37 HA VAL 37 -6.874 1.629 2.014 271 HB VAL 37 HB VAL 37 -4.920 0.593 0.873 272 HG11 VAL 37 1HG1 VAL 37 -3.724 0.400 3.662 273 HG12 VAL 37 2HG1 VAL 37 -3.113 -0.372 2.192 274 HG13 VAL 37 3HG1 VAL 37 -3.092 1.392 2.322 275 HG21 VAL 37 1HG2 VAL 37 -6.802 -0.724 1.884 276 HG22 VAL 37 2HG2 VAL 37 -5.256 -1.592 1.760 277 HG23 VAL 37 3HG2 VAL 37 -5.792 -0.958 3.317 278 H GLU 38 H GLU 38 -7.405 0.503 3.908 279 HA GLU 38 HA GLU 38 -7.425 1.827 6.361 280 HB2 GLU 38 2HB GLU 38 -7.819 -0.987 5.454 281 HB3 GLU 38 3HB GLU 38 -7.679 -0.763 7.168 282 HG2 GLU 38 2HG GLU 38 -9.607 0.960 5.608 283 HG3 GLU 38 3HG GLU 38 -10.029 -0.690 6.084 284 H SER 39 H SER 39 -6.549 1.568 8.235 285 HA SER 39 HA SER 39 -3.609 1.326 8.136 286 HB2 SER 39 2HB SER 39 -3.692 2.924 10.080 287 HB3 SER 39 3HB SER 39 -4.413 3.521 8.589 288 HG SER 39 HG SER 39 -5.659 3.975 10.413 289 HA PRO 40 HA PRO 40 -1.968 1.767 9.831 290 HB2 PRO 40 2HB PRO 40 0.110 0.592 11.070 291 HB3 PRO 40 3HB PRO 40 -1.179 1.420 11.991 292 HG2 PRO 40 2HG PRO 40 -0.907 -1.552 11.453 293 HG3 PRO 40 3HG PRO 40 -1.247 -0.724 13.006 294 HD2 PRO 40 2HD PRO 40 -3.226 -1.778 11.404 295 HD3 PRO 40 3HD PRO 40 -3.471 -0.347 12.441 296 H ILE 41 H ILE 41 -0.498 1.822 8.164 297 HA ILE 41 HA ILE 41 -0.684 -0.495 6.358 298 HB ILE 41 HB ILE 41 0.245 2.333 5.745 299 HG12 ILE 41 2HG1 ILE 41 -2.146 2.083 4.472 300 HG13 ILE 41 3HG1 ILE 41 -2.468 1.007 5.812 301 HG21 ILE 41 1HG2 ILE 41 1.105 0.701 4.120 302 HG22 ILE 41 2HG2 ILE 41 -0.516 -0.019 3.954 303 HG23 ILE 41 3HG2 ILE 41 -0.194 1.618 3.380 304 HD11 ILE 41 1HD1 ILE 41 -3.292 3.253 6.272 305 HD12 ILE 41 2HD1 ILE 41 -1.951 2.942 7.380 306 HD13 ILE 41 3HD1 ILE 41 -1.703 3.957 5.946 307 H SER 42 H SER 42 0.910 -1.749 5.661 308 HA SER 42 HA SER 42 3.516 -1.613 7.033 309 HB2 SER 42 2HB SER 42 2.149 -3.739 5.350 310 HB3 SER 42 3HB SER 42 3.755 -3.923 6.083 311 HG SER 42 HG SER 42 2.252 -4.787 7.437 312 H GLU 43 H GLU 43 5.542 -2.224 5.865 313 HA GLU 43 HA GLU 43 6.009 -0.654 3.501 314 HB2 GLU 43 2HB GLU 43 8.276 -1.547 3.655 315 HB3 GLU 43 3HB GLU 43 7.660 -0.996 5.203 316 HG2 GLU 43 2HG GLU 43 8.633 -2.945 5.874 317 HG3 GLU 43 3HG GLU 43 7.016 -3.519 5.619 318 H ASN 44 H ASN 44 4.703 -3.787 3.788 319 HA ASN 44 HA ASN 44 4.846 -4.093 0.834 320 HB2 ASN 44 2HB ASN 44 4.987 -6.496 1.032 321 HB3 ASN 44 3HB ASN 44 6.275 -5.816 2.022 322 HD21 ASN 44 1HD2 ASN 44 6.294 -6.091 4.177 323 HD22 ASN 44 2HD2 ASN 44 5.131 -7.200 4.914 324 H GLY 45 H GLY 45 2.948 -4.868 -0.171 325 HA2 GLY 45 2HA GLY 45 0.628 -5.800 0.623 326 HA3 GLY 45 3HA GLY 45 0.449 -4.152 1.245 327 H TRP 46 H TRP 46 1.514 -2.608 -0.775 328 HA TRP 46 HA TRP 46 1.068 -1.576 -2.727 329 HB2 TRP 46 2HB TRP 46 2.024 -3.540 -3.820 330 HB3 TRP 46 3HB TRP 46 0.467 -4.336 -3.820 331 HD1 TRP 46 HD1 TRP 46 2.464 -1.734 -5.739 332 HE1 TRP 46 HE1 TRP 46 1.243 -1.117 -7.924 333 HE3 TRP 46 HE3 TRP 46 -1.972 -4.143 -4.888 334 HZ2 TRP 46 HZ2 TRP 46 -1.391 -1.475 -9.052 335 HZ3 TRP 46 HZ3 TRP 46 -3.846 -3.927 -6.514 336 HH2 TRP 46 HH2 TRP 46 -3.551 -2.624 -8.602 337 H CYS 47 H CYS 47 -0.655 -0.870 -4.255 338 HA CYS 47 HA CYS 47 -3.384 -1.676 -3.737 339 HB2 CYS 47 2HB CYS 47 -4.183 0.431 -2.798 340 HB3 CYS 47 3HB CYS 47 -2.807 -0.074 -1.797 341 H ARG 48 H ARG 48 -4.917 -0.330 -4.960 342 HA ARG 48 HA ARG 48 -4.121 0.371 -7.659 343 HB2 ARG 48 2HB ARG 48 -6.692 0.867 -6.078 344 HB3 ARG 48 3HB ARG 48 -6.530 1.081 -7.825 345 HG2 ARG 48 2HG ARG 48 -6.154 -1.278 -8.174 346 HG3 ARG 48 3HG ARG 48 -6.112 -1.598 -6.433 347 HD2 ARG 48 2HD ARG 48 -8.446 -0.884 -6.193 348 HD3 ARG 48 3HD ARG 48 -8.522 -0.470 -7.911 349 HE ARG 48 HE ARG 48 -8.060 -2.910 -8.394 350 HH11 ARG 48 1HH1 ARG 48 -9.860 -2.145 -5.432 351 HH12 ARG 48 2HH1 ARG 48 -10.633 -3.710 -5.520 352 HH21 ARG 48 1HH2 ARG 48 -8.853 -4.831 -8.181 353 HH22 ARG 48 2HH2 ARG 48 -9.847 -5.254 -6.787 354 H LEU 49 H LEU 49 -3.468 2.151 -4.975 355 HA LEU 49 HA LEU 49 -2.977 4.191 -4.403 356 HB2 LEU 49 2HB LEU 49 -1.532 3.846 -6.406 357 HB3 LEU 49 3HB LEU 49 -2.658 4.802 -7.345 358 HG LEU 49 HG LEU 49 -2.156 6.787 -6.011 359 HD11 LEU 49 1HD1 LEU 49 -0.287 4.990 -4.421 360 HD12 LEU 49 2HD1 LEU 49 -0.258 6.758 -4.370 361 HD13 LEU 49 3HD1 LEU 49 -1.676 5.888 -3.786 362 HD21 LEU 49 1HD2 LEU 49 -0.713 6.240 -7.926 363 HD22 LEU 49 2HD2 LEU 49 0.196 7.091 -6.671 364 HD23 LEU 49 3HD2 LEU 49 0.376 5.334 -6.864 365 H TYR 50 H TYR 50 -3.814 6.057 -3.671 366 HA TYR 50 HA TYR 50 -6.194 7.255 -5.031 367 HB2 TYR 50 2HB TYR 50 -6.505 6.095 -2.825 368 HB3 TYR 50 3HB TYR 50 -5.496 7.324 -2.083 369 HD1 TYR 50 HD1 TYR 50 -8.534 6.933 -4.272 370 HD2 TYR 50 HD2 TYR 50 -6.632 9.214 -1.144 371 HE1 TYR 50 HE1 TYR 50 -10.575 8.303 -4.027 372 HE2 TYR 50 HE2 TYR 50 -8.683 10.595 -0.902 373 HH TYR 50 HH TYR 50 -11.624 9.954 -2.833 374 H ALA 51 H ALA 51 -3.092 7.926 -5.071 375 HA ALA 51 HA ALA 51 -2.990 10.660 -4.068 376 HB1 ALA 51 1HB ALA 51 -0.972 9.094 -5.728 377 HB2 ALA 51 2HB ALA 51 -0.667 10.582 -4.809 378 HB3 ALA 51 3HB ALA 51 -1.069 9.089 -3.952 379 H GLY 52 H GLY 52 -2.412 12.515 -5.279 380 HA2 GLY 52 2HA GLY 52 -3.772 12.980 -7.762 381 HA3 GLY 52 3HA GLY 52 -2.794 14.106 -6.824 382 H LYS 53 H LYS 53 -0.756 11.663 -7.112 383 HA LYS 53 HA LYS 53 0.722 12.581 -9.489 384 HB2 LYS 53 2HB LYS 53 1.150 10.327 -7.493 385 HB3 LYS 53 3HB LYS 53 2.089 10.461 -8.976 386 HG2 LYS 53 2HG LYS 53 3.310 11.398 -7.117 387 HG3 LYS 53 3HG LYS 53 2.970 12.636 -8.334 388 HD2 LYS 53 2HD LYS 53 1.244 13.618 -6.986 389 HD3 LYS 53 3HD LYS 53 1.264 12.239 -5.859 390 HE2 LYS 53 2HE LYS 53 3.726 12.857 -5.391 391 HE3 LYS 53 3HE LYS 53 3.383 14.397 -6.200 392 HZ1 LYS 53 1HZ LYS 53 3.029 14.525 -3.775 393 HZ2 LYS 53 2HZ LYS 53 1.614 14.765 -4.553 394 HZ3 LYS 53 3HZ LYS 53 1.956 13.298 -3.844 395 H ALA 54 H ALA 54 -0.412 12.310 -11.216 396 HA ALA 54 HA ALA 54 -1.629 11.437 -12.955 397 HB1 ALA 54 1HB ALA 54 0.630 10.680 -13.449 398 HB2 ALA 54 2HB ALA 54 0.370 9.191 -12.522 399 HB3 ALA 54 3HB ALA 54 -0.552 9.486 -14.015 Start of MODEL 17 1 H1 VAL 1 1H VAL 1 -15.770 15.473 0.800 2 H2 VAL 1 2H VAL 1 -17.289 15.850 1.289 3 H3 VAL 1 3H VAL 1 -17.063 14.764 0.072 4 HA VAL 1 HA VAL 1 -16.248 14.389 2.878 5 HB VAL 1 HB VAL 1 -18.376 12.861 1.328 6 HG11 VAL 1 1HG1 VAL 1 -17.582 12.802 4.274 7 HG12 VAL 1 2HG1 VAL 1 -18.926 11.911 3.532 8 HG13 VAL 1 3HG1 VAL 1 -17.270 11.514 3.083 9 HG21 VAL 1 1HG2 VAL 1 -19.261 15.104 1.827 10 HG22 VAL 1 2HG2 VAL 1 -20.014 13.902 2.865 11 HG23 VAL 1 3HG2 VAL 1 -18.743 14.946 3.525 12 H THR 2 H THR 2 -14.592 12.987 3.147 13 HA THR 2 HA THR 2 -13.940 11.052 0.957 14 HB THR 2 HB THR 2 -11.900 12.895 2.251 15 HG1 THR 2 HG1 THR 2 -13.105 14.132 0.864 16 HG21 THR 2 1HG2 THR 2 -11.047 10.693 1.356 17 HG22 THR 2 2HG2 THR 2 -11.731 11.106 -0.216 18 HG23 THR 2 3HG2 THR 2 -10.430 12.097 0.474 19 H LYS 3 H LYS 3 -14.197 9.129 1.908 20 HA LYS 3 HA LYS 3 -12.966 8.394 4.502 21 HB2 LYS 3 2HB LYS 3 -15.244 7.748 3.682 22 HB3 LYS 3 3HB LYS 3 -14.457 6.770 2.437 23 HG2 LYS 3 2HG LYS 3 -13.375 5.411 4.203 24 HG3 LYS 3 3HG LYS 3 -14.095 6.421 5.461 25 HD2 LYS 3 2HD LYS 3 -15.651 4.956 3.321 26 HD3 LYS 3 3HD LYS 3 -15.281 4.227 4.890 27 HE2 LYS 3 2HE LYS 3 -16.988 6.724 4.426 28 HE3 LYS 3 3HE LYS 3 -17.599 5.103 4.758 29 HZ1 LYS 3 1HZ LYS 3 -16.339 5.224 6.903 30 HZ2 LYS 3 2HZ LYS 3 -16.033 6.796 6.621 31 HZ3 LYS 3 3HZ LYS 3 -17.591 6.308 6.789 32 H LYS 4 H LYS 4 -11.318 6.614 4.614 33 HA LYS 4 HA LYS 4 -9.458 6.469 2.334 34 HB2 LYS 4 2HB LYS 4 -9.339 4.932 4.961 35 HB3 LYS 4 3HB LYS 4 -8.068 5.130 3.758 36 HG2 LYS 4 2HG LYS 4 -8.232 7.599 4.066 37 HG3 LYS 4 3HG LYS 4 -9.340 7.342 5.406 38 HD2 LYS 4 2HD LYS 4 -7.221 7.766 6.370 39 HD3 LYS 4 3HD LYS 4 -7.580 6.047 6.608 40 HE2 LYS 4 2HE LYS 4 -6.129 5.500 4.661 41 HE3 LYS 4 3HE LYS 4 -5.780 7.217 4.430 42 HZ1 LYS 4 1HZ LYS 4 -4.618 7.275 6.509 43 HZ2 LYS 4 2HZ LYS 4 -5.177 5.790 6.958 44 HZ3 LYS 4 3HZ LYS 4 -4.084 5.940 5.725 45 H ALA 5 H ALA 5 -8.673 4.374 1.660 46 HA ALA 5 HA ALA 5 -10.941 2.696 0.752 47 HB1 ALA 5 1HB ALA 5 -9.285 1.638 -0.707 48 HB2 ALA 5 2HB ALA 5 -9.217 3.407 -0.854 49 HB3 ALA 5 3HB ALA 5 -7.977 2.545 0.087 50 H SER 6 H SER 6 -11.470 0.672 1.489 51 HA SER 6 HA SER 6 -9.994 -0.600 3.662 52 HB2 SER 6 2HB SER 6 -11.552 -2.362 3.530 53 HB3 SER 6 3HB SER 6 -12.465 -0.883 3.236 54 HG SER 6 HG SER 6 -13.058 -2.458 1.768 55 H HIS 7 H HIS 7 -9.000 -2.772 3.487 56 HA HIS 7 HA HIS 7 -7.095 -2.916 1.319 57 HB2 HIS 7 2HB HIS 7 -7.811 -4.816 3.556 58 HB3 HIS 7 3HB HIS 7 -6.623 -5.221 2.316 59 HD2 HIS 7 HD2 HIS 7 -7.160 -2.538 5.086 60 HE1 HIS 7 HE1 HIS 7 -3.110 -2.241 3.801 61 HE2 HIS 7 HE2 HIS 7 -4.835 -1.336 5.437 62 H LYS 8 H LYS 8 -10.341 -3.959 1.375 63 HA LYS 8 HA LYS 8 -10.185 -5.879 -0.862 64 HB2 LYS 8 2HB LYS 8 -12.579 -4.394 0.319 65 HB3 LYS 8 3HB LYS 8 -12.643 -5.750 -0.783 66 HG2 LYS 8 2HG LYS 8 -11.552 -5.820 2.063 67 HG3 LYS 8 3HG LYS 8 -13.171 -6.279 1.547 68 HD2 LYS 8 2HD LYS 8 -12.253 -8.098 0.145 69 HD3 LYS 8 3HD LYS 8 -10.608 -7.618 0.553 70 HE2 LYS 8 2HE LYS 8 -12.681 -8.728 2.492 71 HE3 LYS 8 3HE LYS 8 -11.301 -9.593 1.805 72 HZ1 LYS 8 1HZ LYS 8 -11.194 -7.324 3.711 73 HZ2 LYS 8 2HZ LYS 8 -10.617 -8.843 3.947 74 HZ3 LYS 8 3HZ LYS 8 -9.878 -7.852 2.883 75 H ASP 9 H ASP 9 -11.560 -2.611 -0.423 76 HA ASP 9 HA ASP 9 -12.000 -2.074 -3.192 77 HB2 ASP 9 2HB ASP 9 -11.743 -0.419 -0.652 78 HB3 ASP 9 3HB ASP 9 -12.008 0.316 -2.208 79 H ALA 10 H ALA 10 -9.123 -1.566 -1.163 80 HA ALA 10 HA ALA 10 -7.611 -0.181 -3.215 81 HB1 ALA 10 1HB ALA 10 -6.733 -1.537 -0.634 82 HB2 ALA 10 2HB ALA 10 -5.785 -0.381 -1.585 83 HB3 ALA 10 3HB ALA 10 -7.272 0.149 -0.787 84 H GLY 11 H GLY 11 -8.135 -3.616 -2.551 85 HA2 GLY 11 2HA GLY 11 -7.362 -5.471 -3.686 86 HA3 GLY 11 3HA GLY 11 -6.617 -4.409 -4.884 87 H TYR 12 H TYR 12 -5.958 -4.651 -1.363 88 HA TYR 12 HA TYR 12 -3.116 -4.764 -1.502 89 HB2 TYR 12 2HB TYR 12 -4.154 -4.242 0.573 90 HB3 TYR 12 3HB TYR 12 -5.157 -5.688 0.537 91 HD1 TYR 12 HD1 TYR 12 -1.702 -4.450 1.157 92 HD2 TYR 12 HD2 TYR 12 -4.380 -7.824 1.334 93 HE1 TYR 12 HE1 TYR 12 0.027 -5.769 2.388 94 HE2 TYR 12 HE2 TYR 12 -2.631 -9.152 2.518 95 HH TYR 12 HH TYR 12 0.615 -7.781 3.219 96 H GLN 13 H GLN 13 -1.612 -6.495 -1.253 97 HA GLN 13 HA GLN 13 -2.595 -9.250 -1.465 98 HB2 GLN 13 2HB GLN 13 -1.049 -9.724 -3.418 99 HB3 GLN 13 3HB GLN 13 -2.546 -8.860 -3.754 100 HG2 GLN 13 2HG GLN 13 -1.299 -6.698 -3.873 101 HG3 GLN 13 3HG GLN 13 0.205 -7.560 -3.541 102 HE21 GLN 13 1HE2 GLN 13 1.419 -7.633 -5.257 103 HE22 GLN 13 2HE2 GLN 13 0.828 -8.054 -6.840 104 H GLU 14 H GLU 14 -1.316 -10.791 -0.717 105 HA GLU 14 HA GLU 14 0.839 -10.185 1.053 106 HB2 GLU 14 2HB GLU 14 0.922 -12.703 1.283 107 HB3 GLU 14 3HB GLU 14 -0.548 -11.827 1.693 108 HG2 GLU 14 2HG GLU 14 -1.048 -13.930 0.575 109 HG3 GLU 14 3HG GLU 14 -1.685 -12.506 -0.235 110 H SER 15 H SER 15 0.932 -10.496 -2.217 111 HA SER 15 HA SER 15 3.809 -11.270 -2.314 112 HB2 SER 15 2HB SER 15 3.228 -12.103 -4.678 113 HB3 SER 15 3HB SER 15 2.804 -13.078 -3.291 114 HG SER 15 HG SER 15 0.654 -12.448 -3.532 115 HA PRO 16 HA PRO 16 4.526 -7.497 -4.390 116 HB2 PRO 16 2HB PRO 16 6.646 -8.007 -6.062 117 HB3 PRO 16 3HB PRO 16 6.769 -7.939 -4.288 118 HG2 PRO 16 2HG PRO 16 6.636 -10.347 -6.067 119 HG3 PRO 16 3HG PRO 16 7.577 -10.101 -4.565 120 HD2 PRO 16 2HD PRO 16 5.154 -11.470 -4.803 121 HD3 PRO 16 3HD PRO 16 5.759 -10.837 -3.264 122 H ASN 17 H ASN 17 4.675 -6.356 -6.440 123 HA ASN 17 HA ASN 17 3.431 -7.693 -8.789 124 HB2 ASN 17 2HB ASN 17 1.727 -6.336 -7.585 125 HB3 ASN 17 3HB ASN 17 2.703 -4.907 -7.773 126 HD21 ASN 17 1HD2 ASN 17 0.166 -4.822 -8.740 127 HD22 ASN 17 2HD2 ASN 17 0.073 -5.151 -10.451 128 H GLY 18 H GLY 18 5.773 -7.979 -9.150 129 HA2 GLY 18 2HA GLY 18 7.718 -7.481 -10.260 130 HA3 GLY 18 3HA GLY 18 6.917 -6.066 -10.955 131 H ALA 19 H ALA 19 7.732 -4.167 -10.368 132 HA ALA 19 HA ALA 19 9.279 -3.856 -7.835 133 HB1 ALA 19 1HB ALA 19 9.375 -2.252 -10.419 134 HB2 ALA 19 2HB ALA 19 10.385 -1.989 -8.981 135 HB3 ALA 19 3HB ALA 19 10.541 -3.493 -9.897 136 H LYS 20 H LYS 20 6.134 -3.382 -8.604 137 HA LYS 20 HA LYS 20 5.913 -0.558 -7.683 138 HB2 LYS 20 2HB LYS 20 3.708 -2.444 -8.618 139 HB3 LYS 20 3HB LYS 20 3.579 -0.730 -8.268 140 HG2 LYS 20 2HG LYS 20 3.695 -0.611 -10.521 141 HG3 LYS 20 3HG LYS 20 5.421 -0.475 -10.167 142 HD2 LYS 20 2HD LYS 20 5.717 -2.863 -10.717 143 HD3 LYS 20 3HD LYS 20 3.955 -3.054 -10.893 144 HE2 LYS 20 2HE LYS 20 3.941 -1.554 -12.813 145 HE3 LYS 20 3HE LYS 20 5.657 -1.185 -12.595 146 HZ1 LYS 20 1HZ LYS 20 6.145 -3.523 -13.046 147 HZ2 LYS 20 2HZ LYS 20 4.546 -3.852 -13.272 148 HZ3 LYS 20 3HZ LYS 20 5.339 -2.873 -14.323 149 H ARG 21 H ARG 21 6.033 -0.319 -5.482 150 HA ARG 21 HA ARG 21 3.819 -1.485 -3.960 151 HB2 ARG 21 2HB ARG 21 4.921 -2.740 -2.403 152 HB3 ARG 21 3HB ARG 21 5.872 -3.094 -3.834 153 HG2 ARG 21 2HG ARG 21 7.512 -1.288 -3.035 154 HG3 ARG 21 3HG ARG 21 6.586 -1.297 -1.517 155 HD2 ARG 21 2HD ARG 21 6.966 -3.876 -1.542 156 HD3 ARG 21 3HD ARG 21 8.176 -3.540 -2.790 157 HE ARG 21 HE ARG 21 8.455 -1.969 -0.323 158 HH11 ARG 21 1HH1 ARG 21 9.336 -5.048 -1.792 159 HH12 ARG 21 2HH1 ARG 21 10.762 -5.214 -0.818 160 HH21 ARG 21 1HH2 ARG 21 10.410 -2.207 0.813 161 HH22 ARG 21 2HH2 ARG 21 11.153 -3.802 0.798 162 H CYS 22 H CYS 22 3.674 -0.715 -1.730 163 HA CYS 22 HA CYS 22 3.464 1.908 -1.268 164 HB2 CYS 22 2HB CYS 22 4.225 -0.304 0.699 165 HB3 CYS 22 3HB CYS 22 3.333 1.197 1.060 166 H GLY 23 H GLY 23 6.479 0.112 -0.281 167 HA2 GLY 23 2HA GLY 23 7.836 2.171 0.910 168 HA3 GLY 23 3HA GLY 23 8.620 0.875 0.025 169 H THR 24 H THR 24 7.278 2.169 -2.579 170 HA THR 24 HA THR 24 8.873 4.698 -2.685 171 HB THR 24 HB THR 24 8.696 2.859 -5.083 172 HG1 THR 24 HG1 THR 24 10.033 1.753 -3.938 173 HG21 THR 24 1HG2 THR 24 9.287 5.078 -5.821 174 HG22 THR 24 2HG2 THR 24 10.368 5.325 -4.431 175 HG23 THR 24 3HG2 THR 24 10.786 4.173 -5.722 176 H CYS 25 H CYS 25 6.007 4.083 -2.118 177 HA CYS 25 HA CYS 25 4.509 5.133 -4.398 178 HB2 CYS 25 2HB CYS 25 3.478 3.450 -3.016 179 HB3 CYS 25 3HB CYS 25 3.762 4.394 -1.546 180 H ARG 26 H ARG 26 3.445 6.996 -4.552 181 HA ARG 26 HA ARG 26 4.503 9.473 -3.542 182 HB2 ARG 26 2HB ARG 26 3.389 9.085 -5.723 183 HB3 ARG 26 3HB ARG 26 1.867 8.732 -4.901 184 HG2 ARG 26 2HG ARG 26 1.727 11.063 -4.108 185 HG3 ARG 26 3HG ARG 26 3.308 11.420 -4.841 186 HD2 ARG 26 2HD ARG 26 2.361 10.804 -7.079 187 HD3 ARG 26 3HD ARG 26 0.808 10.468 -6.315 188 HE ARG 26 HE ARG 26 0.390 12.757 -6.038 189 HH11 ARG 26 1HH1 ARG 26 3.694 12.451 -7.190 190 HH12 ARG 26 2HH1 ARG 26 3.640 14.015 -7.975 191 HH21 ARG 26 1HH2 ARG 26 0.508 14.776 -6.692 192 HH22 ARG 26 2HH2 ARG 26 1.908 15.384 -7.570 193 H GLN 27 H GLN 27 2.215 7.286 -2.159 194 HA GLN 27 HA GLN 27 0.965 9.369 -0.421 195 HB2 GLN 27 2HB GLN 27 0.007 6.616 -1.274 196 HB3 GLN 27 3HB GLN 27 -0.928 7.767 -0.342 197 HG2 GLN 27 2HG GLN 27 0.009 8.281 -3.214 198 HG3 GLN 27 3HG GLN 27 -1.532 7.589 -2.767 199 HE21 GLN 27 1HE2 GLN 27 -3.243 8.926 -2.259 200 HE22 GLN 27 2HE2 GLN 27 -3.099 10.647 -2.026 201 H PHE 28 H PHE 28 3.408 7.182 -0.071 202 HA PHE 28 HA PHE 28 2.516 5.291 1.719 203 HB2 PHE 28 2HB PHE 28 4.550 5.220 0.317 204 HB3 PHE 28 3HB PHE 28 5.319 6.403 1.351 205 HD1 PHE 28 HD1 PHE 28 3.327 3.328 2.329 206 HD2 PHE 28 HD2 PHE 28 7.183 5.261 2.214 207 HE1 PHE 28 HE1 PHE 28 4.289 1.505 3.707 208 HE2 PHE 28 HE2 PHE 28 8.127 3.431 3.598 209 HZ PHE 28 HZ PHE 28 6.681 1.578 4.378 210 H ARG 29 H ARG 29 4.051 8.363 2.640 211 HA ARG 29 HA ARG 29 4.483 9.336 4.701 212 HB2 ARG 29 2HB ARG 29 1.592 8.675 4.560 213 HB3 ARG 29 3HB ARG 29 2.194 9.193 6.135 214 HG2 ARG 29 2HG ARG 29 1.381 11.099 4.836 215 HG3 ARG 29 3HG ARG 29 3.098 11.234 5.236 216 HD2 ARG 29 2HD ARG 29 3.550 10.337 2.879 217 HD3 ARG 29 3HD ARG 29 1.829 10.583 2.551 218 HE ARG 29 HE ARG 29 2.576 13.023 3.524 219 HH11 ARG 29 1HH1 ARG 29 4.368 11.031 1.195 220 HH12 ARG 29 2HH1 ARG 29 4.760 12.435 0.229 221 HH21 ARG 29 1HH2 ARG 29 3.499 14.735 2.413 222 HH22 ARG 29 2HH2 ARG 29 4.455 14.414 0.983 223 HA PRO 30 HA PRO 30 5.688 5.317 6.661 224 HB2 PRO 30 2HB PRO 30 8.407 5.913 6.861 225 HB3 PRO 30 3HB PRO 30 7.626 5.124 5.461 226 HG2 PRO 30 2HG PRO 30 8.264 8.062 5.851 227 HG3 PRO 30 3HG PRO 30 8.611 7.033 4.418 228 HD2 PRO 30 2HD PRO 30 6.464 8.633 4.469 229 HD3 PRO 30 3HD PRO 30 6.324 6.985 3.794 230 HA PRO 31 HA PRO 31 7.557 4.322 8.193 231 HB2 PRO 31 2HB PRO 31 7.319 3.031 10.560 232 HB3 PRO 31 3HB PRO 31 8.538 4.305 10.261 233 HG2 PRO 31 2HG PRO 31 5.811 4.625 11.564 234 HG3 PRO 31 3HG PRO 31 7.402 5.158 12.202 235 HD2 PRO 31 2HD PRO 31 5.803 6.882 10.842 236 HD3 PRO 31 3HD PRO 31 7.570 6.893 10.601 237 H SER 32 H SER 32 4.213 4.794 9.384 238 HA SER 32 HA SER 32 3.520 2.072 8.351 239 HB2 SER 32 2HB SER 32 2.384 1.563 10.472 240 HB3 SER 32 3HB SER 32 4.118 1.825 10.664 241 HG SER 32 HG SER 32 1.962 3.442 11.499 242 H SER 33 H SER 33 2.452 5.263 8.135 243 HA SER 33 HA SER 33 -0.370 4.326 7.678 244 HB2 SER 33 2HB SER 33 0.597 6.976 8.752 245 HB3 SER 33 3HB SER 33 -1.070 6.620 8.270 246 HG SER 33 HG SER 33 -0.769 6.338 10.494 247 H CYS 34 H CYS 34 0.039 3.889 5.497 248 HA CYS 34 HA CYS 34 0.417 5.831 3.423 249 HB2 CYS 34 2HB CYS 34 0.254 3.496 2.847 250 HB3 CYS 34 3HB CYS 34 -1.282 3.321 3.714 251 H ILE 35 H ILE 35 -0.876 7.451 2.620 252 HA ILE 35 HA ILE 35 -3.277 8.154 4.181 253 HB ILE 35 HB ILE 35 -3.456 10.168 2.966 254 HG12 ILE 35 2HG1 ILE 35 -0.992 9.440 1.345 255 HG13 ILE 35 3HG1 ILE 35 -2.648 9.348 0.726 256 HG21 ILE 35 1HG2 ILE 35 -1.434 11.237 3.820 257 HG22 ILE 35 2HG2 ILE 35 -1.982 9.984 4.921 258 HG23 ILE 35 3HG2 ILE 35 -0.589 9.673 3.858 259 HD11 ILE 35 1HD1 ILE 35 -1.212 11.861 1.676 260 HD12 ILE 35 2HD1 ILE 35 -1.693 11.456 0.027 261 HD13 ILE 35 3HD1 ILE 35 -2.938 11.785 1.244 262 H THR 36 H THR 36 -2.841 6.081 1.559 263 HA THR 36 HA THR 36 -5.457 6.639 0.293 264 HB THR 36 HB THR 36 -3.488 4.367 -0.171 265 HG1 THR 36 HG1 THR 36 -2.504 5.623 -1.417 266 HG21 THR 36 1HG2 THR 36 -5.822 5.386 -1.833 267 HG22 THR 36 2HG2 THR 36 -4.585 4.232 -2.396 268 HG23 THR 36 3HG2 THR 36 -5.669 3.785 -1.075 269 H VAL 37 H VAL 37 -3.980 4.018 2.249 270 HA VAL 37 HA VAL 37 -6.631 2.675 2.313 271 HB VAL 37 HB VAL 37 -4.716 1.685 1.047 272 HG11 VAL 37 1HG1 VAL 37 -3.623 1.002 3.801 273 HG12 VAL 37 2HG1 VAL 37 -3.027 0.394 2.242 274 HG13 VAL 37 3HG1 VAL 37 -2.890 2.111 2.623 275 HG21 VAL 37 1HG2 VAL 37 -6.652 0.334 1.633 276 HG22 VAL 37 2HG2 VAL 37 -5.162 -0.613 1.674 277 HG23 VAL 37 3HG2 VAL 37 -5.910 -0.093 3.190 278 H GLU 38 H GLU 38 -7.256 1.393 4.124 279 HA GLU 38 HA GLU 38 -7.025 2.485 6.730 280 HB2 GLU 38 2HB GLU 38 -7.564 -0.350 5.779 281 HB3 GLU 38 3HB GLU 38 -7.684 0.131 7.452 282 HG2 GLU 38 2HG GLU 38 -9.428 1.130 5.190 283 HG3 GLU 38 3HG GLU 38 -9.801 0.003 6.508 284 H SER 39 H SER 39 -5.934 1.847 8.570 285 HA SER 39 HA SER 39 -3.160 0.840 8.040 286 HB2 SER 39 2HB SER 39 -2.206 2.871 8.738 287 HB3 SER 39 3HB SER 39 -3.488 3.312 7.627 288 HG SER 39 HG SER 39 -4.583 4.218 9.229 289 HA PRO 40 HA PRO 40 -1.008 1.527 9.705 290 HB2 PRO 40 2HB PRO 40 0.667 -0.235 10.900 291 HB3 PRO 40 3HB PRO 40 -0.066 1.150 11.762 292 HG2 PRO 40 2HG PRO 40 -1.064 -1.719 11.690 293 HG3 PRO 40 3HG PRO 40 -0.740 -0.700 13.132 294 HD2 PRO 40 2HD PRO 40 -3.233 -0.918 12.110 295 HD3 PRO 40 3HD PRO 40 -2.637 0.659 12.704 296 H ILE 41 H ILE 41 0.673 0.578 8.371 297 HA ILE 41 HA ILE 41 0.115 -2.042 7.080 298 HB ILE 41 HB ILE 41 0.540 -0.972 4.851 299 HG12 ILE 41 2HG1 ILE 41 -0.112 1.357 4.494 300 HG13 ILE 41 3HG1 ILE 41 -0.169 1.657 6.227 301 HG21 ILE 41 1HG2 ILE 41 -2.001 -0.078 6.238 302 HG22 ILE 41 2HG2 ILE 41 -1.755 -0.398 4.515 303 HG23 ILE 41 3HG2 ILE 41 -1.670 -1.730 5.672 304 HD11 ILE 41 1HD1 ILE 41 1.897 2.516 5.110 305 HD12 ILE 41 2HD1 ILE 41 2.272 1.337 6.373 306 HD13 ILE 41 3HD1 ILE 41 2.319 0.852 4.663 307 H SER 42 H SER 42 1.844 -2.571 5.426 308 HA SER 42 HA SER 42 4.514 -2.412 6.726 309 HB2 SER 42 2HB SER 42 3.308 -4.350 4.711 310 HB3 SER 42 3HB SER 42 4.946 -4.456 5.341 311 HG SER 42 HG SER 42 3.207 -5.731 6.416 312 H GLU 43 H GLU 43 6.462 -2.543 5.185 313 HA GLU 43 HA GLU 43 6.299 -0.399 3.231 314 HB2 GLU 43 2HB GLU 43 8.636 -0.755 2.884 315 HB3 GLU 43 3HB GLU 43 8.291 -0.721 4.607 316 HG2 GLU 43 2HG GLU 43 8.427 -3.175 4.705 317 HG3 GLU 43 3HG GLU 43 8.773 -3.222 2.990 318 H ASN 44 H ASN 44 5.651 -3.735 3.057 319 HA ASN 44 HA ASN 44 5.335 -3.556 0.109 320 HB2 ASN 44 2HB ASN 44 5.248 -5.963 0.044 321 HB3 ASN 44 3HB ASN 44 6.718 -5.525 0.911 322 HD21 ASN 44 1HD2 ASN 44 6.395 -7.876 1.257 323 HD22 ASN 44 2HD2 ASN 44 5.698 -8.200 2.827 324 H GLY 45 H GLY 45 3.337 -4.704 -0.685 325 HA2 GLY 45 2HA GLY 45 1.118 -5.533 0.393 326 HA3 GLY 45 3HA GLY 45 0.938 -3.830 0.853 327 H TRP 46 H TRP 46 1.612 -2.381 -1.217 328 HA TRP 46 HA TRP 46 1.051 -1.519 -3.216 329 HB2 TRP 46 2HB TRP 46 2.084 -3.587 -4.234 330 HB3 TRP 46 3HB TRP 46 0.512 -4.339 -4.190 331 HD1 TRP 46 HD1 TRP 46 2.103 -1.191 -5.810 332 HE1 TRP 46 HE1 TRP 46 0.975 -0.787 -8.089 333 HE3 TRP 46 HE3 TRP 46 -1.407 -4.909 -5.656 334 HZ2 TRP 46 HZ2 TRP 46 -1.083 -2.006 -9.683 335 HZ3 TRP 46 HZ3 TRP 46 -2.945 -5.261 -7.577 336 HH2 TRP 46 HH2 TRP 46 -2.778 -3.827 -9.599 337 H CYS 47 H CYS 47 -0.786 -0.959 -4.626 338 HA CYS 47 HA CYS 47 -3.365 -2.154 -3.984 339 HB2 CYS 47 2HB CYS 47 -4.458 -0.072 -3.404 340 HB3 CYS 47 3HB CYS 47 -3.111 -0.319 -2.301 341 H ARG 48 H ARG 48 -4.899 -1.831 -5.620 342 HA ARG 48 HA ARG 48 -3.936 -1.210 -8.313 343 HB2 ARG 48 2HB ARG 48 -6.753 -1.559 -7.183 344 HB3 ARG 48 3HB ARG 48 -6.369 -1.339 -8.896 345 HG2 ARG 48 2HG ARG 48 -4.911 -3.379 -8.788 346 HG3 ARG 48 3HG ARG 48 -5.529 -3.696 -7.158 347 HD2 ARG 48 2HD ARG 48 -7.225 -3.414 -9.680 348 HD3 ARG 48 3HD ARG 48 -6.675 -4.945 -9.031 349 HE ARG 48 HE ARG 48 -8.623 -3.076 -7.701 350 HH11 ARG 48 1HH1 ARG 48 -7.271 -6.353 -7.776 351 HH12 ARG 48 2HH1 ARG 48 -8.653 -6.957 -6.863 352 HH21 ARG 48 1HH2 ARG 48 -10.407 -4.074 -6.903 353 HH22 ARG 48 2HH2 ARG 48 -10.348 -5.755 -6.470 354 H LEU 49 H LEU 49 -4.958 0.729 -5.721 355 HA LEU 49 HA LEU 49 -5.797 3.015 -7.344 356 HB2 LEU 49 2HB LEU 49 -6.968 2.246 -5.279 357 HB3 LEU 49 3HB LEU 49 -5.545 2.660 -4.330 358 HG LEU 49 HG LEU 49 -5.891 5.026 -4.720 359 HD11 LEU 49 1HD1 LEU 49 -6.670 5.043 -7.055 360 HD12 LEU 49 2HD1 LEU 49 -8.164 4.206 -6.583 361 HD13 LEU 49 3HD1 LEU 49 -7.841 5.860 -6.019 362 HD21 LEU 49 1HD2 LEU 49 -7.316 3.844 -3.002 363 HD22 LEU 49 2HD2 LEU 49 -8.031 5.338 -3.637 364 HD23 LEU 49 3HD2 LEU 49 -8.612 3.757 -4.201 365 H TYR 50 H TYR 50 -2.785 1.790 -6.686 366 HA TYR 50 HA TYR 50 -1.280 3.953 -5.861 367 HB2 TYR 50 2HB TYR 50 0.589 2.878 -6.486 368 HB3 TYR 50 3HB TYR 50 -0.529 1.579 -6.178 369 HD1 TYR 50 HD1 TYR 50 -1.972 1.058 -8.619 370 HD2 TYR 50 HD2 TYR 50 2.096 2.422 -8.168 371 HE1 TYR 50 HE1 TYR 50 -1.409 0.113 -10.839 372 HE2 TYR 50 HE2 TYR 50 2.661 1.452 -10.379 373 HH TYR 50 HH TYR 50 0.210 -0.215 -12.400 374 H ALA 51 H ALA 51 -0.159 5.612 -6.760 375 HA ALA 51 HA ALA 51 -1.325 6.744 -9.244 376 HB1 ALA 51 1HB ALA 51 0.039 8.032 -6.844 377 HB2 ALA 51 2HB ALA 51 -0.707 8.896 -8.199 378 HB3 ALA 51 3HB ALA 51 -1.715 7.919 -7.115 379 H GLY 52 H GLY 52 -0.087 7.722 -10.837 380 HA2 GLY 52 2HA GLY 52 2.566 6.783 -11.363 381 HA3 GLY 52 3HA GLY 52 1.699 8.042 -12.246 382 H LYS 53 H LYS 53 4.536 8.037 -11.371 383 HA LYS 53 HA LYS 53 4.687 9.870 -9.071 384 HB2 LYS 53 2HB LYS 53 6.724 8.587 -10.889 385 HB3 LYS 53 3HB LYS 53 7.177 9.879 -9.799 386 HG2 LYS 53 2HG LYS 53 7.667 7.723 -8.816 387 HG3 LYS 53 3HG LYS 53 6.531 8.651 -7.846 388 HD2 LYS 53 2HD LYS 53 4.675 7.254 -8.518 389 HD3 LYS 53 3HD LYS 53 5.685 6.393 -9.708 390 HE2 LYS 53 2HE LYS 53 7.129 5.540 -7.900 391 HE3 LYS 53 3HE LYS 53 6.199 6.439 -6.698 392 HZ1 LYS 53 1HZ LYS 53 5.084 4.281 -8.404 393 HZ2 LYS 53 2HZ LYS 53 5.564 4.076 -6.854 394 HZ3 LYS 53 3HZ LYS 53 4.299 5.073 -7.175 395 H ALA 54 H ALA 54 3.616 11.671 -9.556 396 HA ALA 54 HA ALA 54 4.169 13.206 -12.003 397 HB1 ALA 54 1HB ALA 54 2.113 13.661 -9.831 398 HB2 ALA 54 2HB ALA 54 2.257 14.562 -11.350 399 HB3 ALA 54 3HB ALA 54 1.876 12.829 -11.378 Start of MODEL 18 1 H1 VAL 1 1H VAL 1 -13.900 13.152 10.336 2 H2 VAL 1 2H VAL 1 -14.651 13.741 9.000 3 H3 VAL 1 3H VAL 1 -13.205 14.376 9.512 4 HA VAL 1 HA VAL 1 -13.087 12.855 7.532 5 HB VAL 1 HB VAL 1 -11.166 11.508 8.367 6 HG11 VAL 1 1HG1 VAL 1 -10.852 13.777 7.508 7 HG12 VAL 1 2HG1 VAL 1 -11.084 14.448 9.138 8 HG13 VAL 1 3HG1 VAL 1 -9.704 13.396 8.797 9 HG21 VAL 1 1HG2 VAL 1 -11.920 11.144 10.724 10 HG22 VAL 1 2HG2 VAL 1 -10.285 11.802 10.600 11 HG23 VAL 1 3HG2 VAL 1 -11.623 12.865 11.060 12 H THR 2 H THR 2 -12.952 10.543 6.894 13 HA THR 2 HA THR 2 -14.179 8.647 8.823 14 HB THR 2 HB THR 2 -15.842 9.527 7.135 15 HG1 THR 2 HG1 THR 2 -16.771 7.552 7.059 16 HG21 THR 2 1HG2 THR 2 -14.441 9.377 5.078 17 HG22 THR 2 2HG2 THR 2 -14.447 7.601 5.229 18 HG23 THR 2 3HG2 THR 2 -15.963 8.481 4.957 19 H LYS 3 H LYS 3 -13.736 6.386 8.381 20 HA LYS 3 HA LYS 3 -10.975 5.918 7.956 21 HB2 LYS 3 2HB LYS 3 -12.432 4.515 9.374 22 HB3 LYS 3 3HB LYS 3 -13.251 3.908 7.927 23 HG2 LYS 3 2HG LYS 3 -11.073 2.967 7.117 24 HG3 LYS 3 3HG LYS 3 -10.306 3.529 8.618 25 HD2 LYS 3 2HD LYS 3 -11.795 2.092 9.933 26 HD3 LYS 3 3HD LYS 3 -12.675 1.619 8.464 27 HE2 LYS 3 2HE LYS 3 -10.558 0.664 7.541 28 HE3 LYS 3 3HE LYS 3 -9.742 1.045 9.066 29 HZ1 LYS 3 1HZ LYS 3 -11.263 -0.491 10.192 30 HZ2 LYS 3 2HZ LYS 3 -12.118 -0.708 8.810 31 HZ3 LYS 3 3HZ LYS 3 -10.587 -1.276 8.929 32 H LYS 4 H LYS 4 -9.774 5.421 6.340 33 HA LYS 4 HA LYS 4 -10.616 5.913 3.653 34 HB2 LYS 4 2HB LYS 4 -8.004 4.761 4.737 35 HB3 LYS 4 3HB LYS 4 -8.242 5.307 3.073 36 HG2 LYS 4 2HG LYS 4 -9.206 7.421 4.688 37 HG3 LYS 4 3HG LYS 4 -7.714 6.880 5.463 38 HD2 LYS 4 2HD LYS 4 -7.206 8.691 4.010 39 HD3 LYS 4 3HD LYS 4 -6.542 7.233 3.247 40 HE2 LYS 4 2HE LYS 4 -8.352 7.114 1.692 41 HE3 LYS 4 3HE LYS 4 -9.351 8.238 2.618 42 HZ1 LYS 4 1HZ LYS 4 -7.946 10.035 2.005 43 HZ2 LYS 4 2HZ LYS 4 -6.843 9.054 1.273 44 HZ3 LYS 4 3HZ LYS 4 -8.372 9.233 0.635 45 H ALA 5 H ALA 5 -9.911 4.579 1.862 46 HA ALA 5 HA ALA 5 -11.600 2.361 1.518 47 HB1 ALA 5 1HB ALA 5 -9.025 3.019 0.020 48 HB2 ALA 5 2HB ALA 5 -10.311 1.936 -0.551 49 HB3 ALA 5 3HB ALA 5 -10.646 3.665 -0.341 50 H SER 6 H SER 6 -11.509 0.220 1.976 51 HA SER 6 HA SER 6 -9.710 -0.645 3.996 52 HB2 SER 6 2HB SER 6 -10.906 -2.777 3.814 53 HB3 SER 6 3HB SER 6 -12.039 -1.417 3.812 54 HG SER 6 HG SER 6 -12.713 -2.143 1.978 55 H HIS 7 H HIS 7 -8.320 -2.565 4.035 56 HA HIS 7 HA HIS 7 -6.559 -2.855 1.775 57 HB2 HIS 7 2HB HIS 7 -6.975 -4.496 4.276 58 HB3 HIS 7 3HB HIS 7 -5.864 -5.019 3.006 59 HD2 HIS 7 HD2 HIS 7 -5.919 -2.804 5.987 60 HE1 HIS 7 HE1 HIS 7 -2.911 -1.058 3.533 61 HE2 HIS 7 HE2 HIS 7 -3.946 -1.064 5.858 62 H LYS 8 H LYS 8 -9.639 -4.307 2.324 63 HA LYS 8 HA LYS 8 -9.553 -6.428 0.350 64 HB2 LYS 8 2HB LYS 8 -11.950 -4.703 1.105 65 HB3 LYS 8 3HB LYS 8 -11.961 -6.291 0.406 66 HG2 LYS 8 2HG LYS 8 -11.007 -5.602 3.229 67 HG3 LYS 8 3HG LYS 8 -12.590 -6.239 2.797 68 HD2 LYS 8 2HD LYS 8 -11.561 -8.295 1.914 69 HD3 LYS 8 3HD LYS 8 -9.949 -7.672 2.317 70 HE2 LYS 8 2HE LYS 8 -10.393 -7.739 4.679 71 HE3 LYS 8 3HE LYS 8 -12.127 -7.999 4.412 72 HZ1 LYS 8 1HZ LYS 8 -11.682 -10.134 3.502 73 HZ2 LYS 8 2HZ LYS 8 -10.041 -9.953 3.616 74 HZ3 LYS 8 3HZ LYS 8 -11.000 -10.081 4.965 75 H ASP 9 H ASP 9 -10.803 -3.144 0.205 76 HA ASP 9 HA ASP 9 -11.299 -3.026 -2.596 77 HB2 ASP 9 2HB ASP 9 -12.122 -1.632 -0.473 78 HB3 ASP 9 3HB ASP 9 -10.829 -0.548 -0.966 79 H ALA 10 H ALA 10 -8.521 -1.996 -0.671 80 HA ALA 10 HA ALA 10 -7.040 -0.481 -2.496 81 HB1 ALA 10 1HB ALA 10 -6.111 -2.427 -0.336 82 HB2 ALA 10 2HB ALA 10 -5.127 -1.144 -1.044 83 HB3 ALA 10 3HB ALA 10 -6.567 -0.730 -0.078 84 H GLY 11 H GLY 11 -7.313 -4.002 -2.269 85 HA2 GLY 11 2HA GLY 11 -6.436 -5.682 -3.673 86 HA3 GLY 11 3HA GLY 11 -5.578 -4.467 -4.623 87 H TYR 12 H TYR 12 -5.142 -4.379 -1.148 88 HA TYR 12 HA TYR 12 -2.332 -4.771 -1.178 89 HB2 TYR 12 2HB TYR 12 -3.176 -3.680 0.715 90 HB3 TYR 12 3HB TYR 12 -4.484 -4.837 0.937 91 HD1 TYR 12 HD1 TYR 12 -0.795 -4.405 1.310 92 HD2 TYR 12 HD2 TYR 12 -4.235 -6.831 2.239 93 HE1 TYR 12 HE1 TYR 12 0.629 -5.904 2.730 94 HE2 TYR 12 HE2 TYR 12 -2.818 -8.325 3.625 95 HH TYR 12 HH TYR 12 -0.689 -8.891 4.198 96 H GLN 13 H GLN 13 -1.020 -6.534 -0.578 97 HA GLN 13 HA GLN 13 -2.170 -9.252 -0.611 98 HB2 GLN 13 2HB GLN 13 -0.644 -9.749 -2.634 99 HB3 GLN 13 3HB GLN 13 -2.201 -9.003 -2.886 100 HG2 GLN 13 2HG GLN 13 -1.109 -6.769 -3.164 101 HG3 GLN 13 3HG GLN 13 0.462 -7.514 -2.903 102 HE21 GLN 13 1HE2 GLN 13 1.301 -6.913 -4.810 103 HE22 GLN 13 2HE2 GLN 13 0.843 -7.796 -6.247 104 H GLU 14 H GLU 14 -0.595 -10.963 -0.577 105 HA GLU 14 HA GLU 14 1.299 -10.537 1.576 106 HB2 GLU 14 2HB GLU 14 1.571 -12.915 1.554 107 HB3 GLU 14 3HB GLU 14 -0.131 -12.466 1.550 108 HG2 GLU 14 2HG GLU 14 1.226 -13.051 -1.077 109 HG3 GLU 14 3HG GLU 14 0.821 -14.390 -0.011 110 H SER 15 H SER 15 1.674 -10.331 -1.807 111 HA SER 15 HA SER 15 4.589 -10.181 -1.470 112 HB2 SER 15 2HB SER 15 4.834 -11.489 -3.713 113 HB3 SER 15 3HB SER 15 4.715 -12.341 -2.190 114 HG SER 15 HG SER 15 3.383 -13.175 -3.919 115 HA PRO 16 HA PRO 16 4.545 -6.667 -4.105 116 HB2 PRO 16 2HB PRO 16 6.696 -8.082 -5.678 117 HB3 PRO 16 3HB PRO 16 6.625 -6.377 -5.124 118 HG2 PRO 16 2HG PRO 16 8.087 -8.192 -3.739 119 HG3 PRO 16 3HG PRO 16 7.054 -7.014 -2.860 120 HD2 PRO 16 2HD PRO 16 6.479 -9.927 -3.472 121 HD3 PRO 16 3HD PRO 16 6.180 -8.991 -1.988 122 H ASN 17 H ASN 17 3.773 -5.865 -6.090 123 HA ASN 17 HA ASN 17 2.541 -7.799 -7.958 124 HB2 ASN 17 2HB ASN 17 1.203 -5.828 -7.235 125 HB3 ASN 17 3HB ASN 17 2.434 -4.765 -7.875 126 HD21 ASN 17 1HD2 ASN 17 0.758 -3.879 -9.332 127 HD22 ASN 17 2HD2 ASN 17 0.399 -4.813 -10.796 128 H GLY 18 H GLY 18 4.833 -8.568 -8.263 129 HA2 GLY 18 2HA GLY 18 6.728 -8.822 -9.506 130 HA3 GLY 18 3HA GLY 18 6.004 -7.792 -10.753 131 H ALA 19 H ALA 19 7.131 -5.989 -11.135 132 HA ALA 19 HA ALA 19 9.269 -5.080 -9.415 133 HB1 ALA 19 1HB ALA 19 8.019 -3.732 -11.843 134 HB2 ALA 19 2HB ALA 19 9.602 -3.386 -11.137 135 HB3 ALA 19 3HB ALA 19 9.313 -4.958 -11.898 136 H LYS 20 H LYS 20 5.917 -4.475 -9.113 137 HA LYS 20 HA LYS 20 6.350 -1.767 -7.955 138 HB2 LYS 20 2HB LYS 20 3.763 -2.997 -8.973 139 HB3 LYS 20 3HB LYS 20 4.002 -1.367 -8.353 140 HG2 LYS 20 2HG LYS 20 4.215 -0.830 -10.531 141 HG3 LYS 20 3HG LYS 20 5.892 -1.304 -10.279 142 HD2 LYS 20 2HD LYS 20 5.223 -3.638 -11.106 143 HD3 LYS 20 3HD LYS 20 3.646 -2.966 -11.526 144 HE2 LYS 20 2HE LYS 20 6.288 -1.832 -12.534 145 HE3 LYS 20 3HE LYS 20 5.448 -3.134 -13.371 146 HZ1 LYS 20 1HZ LYS 20 4.125 -0.523 -12.842 147 HZ2 LYS 20 2HZ LYS 20 4.969 -0.858 -14.210 148 HZ3 LYS 20 3HZ LYS 20 3.661 -1.739 -13.881 149 H ARG 21 H ARG 21 6.271 -1.444 -5.933 150 HA ARG 21 HA ARG 21 4.363 -2.803 -4.108 151 HB2 ARG 21 2HB ARG 21 5.917 -3.877 -2.945 152 HB3 ARG 21 3HB ARG 21 7.069 -3.518 -4.201 153 HG2 ARG 21 2HG ARG 21 7.722 -1.416 -2.942 154 HG3 ARG 21 3HG ARG 21 6.652 -1.946 -1.623 155 HD2 ARG 21 2HD ARG 21 7.985 -4.184 -1.755 156 HD3 ARG 21 3HD ARG 21 9.197 -3.214 -2.609 157 HE ARG 21 HE ARG 21 8.290 -1.962 -0.127 158 HH11 ARG 21 1HH1 ARG 21 10.278 -4.632 -1.198 159 HH12 ARG 21 2HH1 ARG 21 11.119 -4.735 0.320 160 HH21 ARG 21 1HH2 ARG 21 9.708 -1.870 1.637 161 HH22 ARG 21 2HH2 ARG 21 10.749 -3.268 1.873 162 H CYS 22 H CYS 22 4.384 -1.487 -1.906 163 HA CYS 22 HA CYS 22 4.459 1.417 -2.359 164 HB2 CYS 22 2HB CYS 22 4.113 -0.158 0.224 165 HB3 CYS 22 3HB CYS 22 3.978 1.608 0.049 166 H GLY 23 H GLY 23 6.045 0.439 0.547 167 HA2 GLY 23 2HA GLY 23 8.003 1.074 1.484 168 HA3 GLY 23 3HA GLY 23 8.774 0.818 -0.075 169 H THR 24 H THR 24 7.763 2.815 -1.643 170 HA THR 24 HA THR 24 7.348 5.297 -0.194 171 HB THR 24 HB THR 24 9.771 5.386 -0.616 172 HG1 THR 24 HG1 THR 24 9.593 7.474 -1.611 173 HG21 THR 24 1HG2 THR 24 10.619 5.795 -2.826 174 HG22 THR 24 2HG2 THR 24 9.760 4.246 -2.836 175 HG23 THR 24 3HG2 THR 24 8.987 5.697 -3.527 176 H CYS 25 H CYS 25 6.273 6.900 -1.437 177 HA CYS 25 HA CYS 25 4.871 6.085 -3.926 178 HB2 CYS 25 2HB CYS 25 3.709 4.917 -2.073 179 HB3 CYS 25 3HB CYS 25 3.591 6.406 -1.160 180 H ARG 26 H ARG 26 2.800 7.938 -3.607 181 HA ARG 26 HA ARG 26 3.919 10.666 -3.741 182 HB2 ARG 26 2HB ARG 26 1.821 10.212 -4.904 183 HB3 ARG 26 3HB ARG 26 1.062 9.625 -3.419 184 HG2 ARG 26 2HG ARG 26 1.187 11.849 -2.412 185 HG3 ARG 26 3HG ARG 26 2.113 12.469 -3.778 186 HD2 ARG 26 2HD ARG 26 -0.722 11.394 -4.001 187 HD3 ARG 26 3HD ARG 26 -0.320 13.096 -3.712 188 HE ARG 26 HE ARG 26 1.072 12.834 -5.919 189 HH11 ARG 26 1HH1 ARG 26 -2.274 11.808 -5.347 190 HH12 ARG 26 2HH1 ARG 26 -2.586 11.870 -7.086 191 HH21 ARG 26 1HH2 ARG 26 0.490 12.761 -8.116 192 HH22 ARG 26 2HH2 ARG 26 -1.176 12.322 -8.482 193 H GLN 27 H GLN 27 2.147 8.685 -1.292 194 HA GLN 27 HA GLN 27 4.042 9.622 0.704 195 HB2 GLN 27 2HB GLN 27 1.104 10.268 1.071 196 HB3 GLN 27 3HB GLN 27 2.251 10.219 2.397 197 HG2 GLN 27 2HG GLN 27 2.256 12.226 0.114 198 HG3 GLN 27 3HG GLN 27 1.648 12.469 1.726 199 HE21 GLN 27 1HE2 GLN 27 3.185 14.356 1.303 200 HE22 GLN 27 2HE2 GLN 27 4.798 14.150 1.975 201 H PHE 28 H PHE 28 4.662 7.576 1.219 202 HA PHE 28 HA PHE 28 2.667 5.581 2.140 203 HB2 PHE 28 2HB PHE 28 4.621 4.835 0.872 204 HB3 PHE 28 3HB PHE 28 5.705 5.580 2.044 205 HD1 PHE 28 HD1 PHE 28 2.903 3.049 1.866 206 HD2 PHE 28 HD2 PHE 28 6.590 4.240 3.764 207 HE1 PHE 28 HE1 PHE 28 2.857 0.992 3.256 208 HE2 PHE 28 HE2 PHE 28 6.518 2.201 5.178 209 HZ PHE 28 HZ PHE 28 4.625 0.613 4.973 210 H ARG 29 H ARG 29 4.570 8.163 3.446 211 HA ARG 29 HA ARG 29 5.120 8.886 5.547 212 HB2 ARG 29 2HB ARG 29 2.647 9.456 5.123 213 HB3 ARG 29 3HB ARG 29 2.285 8.147 6.244 214 HG2 ARG 29 2HG ARG 29 2.265 9.964 7.673 215 HG3 ARG 29 3HG ARG 29 3.901 9.354 7.880 216 HD2 ARG 29 2HD ARG 29 4.262 11.608 7.692 217 HD3 ARG 29 3HD ARG 29 4.559 11.085 6.027 218 HE ARG 29 HE ARG 29 2.002 11.727 5.740 219 HH11 ARG 29 1HH1 ARG 29 4.336 13.677 7.543 220 HH12 ARG 29 2HH1 ARG 29 3.181 15.017 7.583 221 HH21 ARG 29 1HH2 ARG 29 0.767 13.443 5.824 222 HH22 ARG 29 2HH2 ARG 29 1.336 14.927 6.635 223 HA PRO 30 HA PRO 30 5.821 4.502 6.898 224 HB2 PRO 30 2HB PRO 30 8.538 4.738 7.497 225 HB3 PRO 30 3HB PRO 30 7.855 4.323 5.897 226 HG2 PRO 30 2HG PRO 30 8.712 7.046 6.917 227 HG3 PRO 30 3HG PRO 30 9.098 6.278 5.340 228 HD2 PRO 30 2HD PRO 30 7.116 8.079 5.541 229 HD3 PRO 30 3HD PRO 30 6.885 6.615 4.539 230 HA PRO 31 HA PRO 31 7.140 2.944 8.437 231 HB2 PRO 31 2HB PRO 31 6.171 1.300 10.367 232 HB3 PRO 31 3HB PRO 31 7.618 2.326 10.600 233 HG2 PRO 31 2HG PRO 31 4.755 2.930 11.430 234 HG3 PRO 31 3HG PRO 31 6.235 3.006 12.440 235 HD2 PRO 31 2HD PRO 31 5.232 5.231 11.239 236 HD3 PRO 31 3HD PRO 31 6.996 4.955 11.348 237 H SER 32 H SER 32 3.731 3.825 9.138 238 HA SER 32 HA SER 32 2.803 1.841 7.160 239 HB2 SER 32 2HB SER 32 1.462 0.629 8.960 240 HB3 SER 32 3HB SER 32 3.195 0.380 8.954 241 HG SER 32 HG SER 32 1.697 2.003 10.730 242 H SER 33 H SER 33 2.263 4.601 6.878 243 HA SER 33 HA SER 33 -0.716 4.514 7.152 244 HB2 SER 33 2HB SER 33 1.007 6.843 8.035 245 HB3 SER 33 3HB SER 33 -0.755 6.871 7.870 246 HG SER 33 HG SER 33 0.835 5.428 9.714 247 H CYS 34 H CYS 34 -0.825 4.089 4.938 248 HA CYS 34 HA CYS 34 0.182 5.946 2.895 249 HB2 CYS 34 2HB CYS 34 -0.102 3.743 2.128 250 HB3 CYS 34 3HB CYS 34 -1.642 3.531 2.961 251 H ILE 35 H ILE 35 -0.960 7.459 1.734 252 HA ILE 35 HA ILE 35 -3.185 8.842 3.051 253 HB ILE 35 HB ILE 35 -3.096 10.336 1.070 254 HG12 ILE 35 2HG1 ILE 35 -0.602 8.786 0.256 255 HG13 ILE 35 3HG1 ILE 35 -2.173 8.595 -0.519 256 HG21 ILE 35 1HG2 ILE 35 -0.528 9.911 2.634 257 HG22 ILE 35 2HG2 ILE 35 -1.018 11.416 1.806 258 HG23 ILE 35 3HG2 ILE 35 -1.963 10.805 3.169 259 HD11 ILE 35 1HD1 ILE 35 -0.542 11.145 -0.411 260 HD12 ILE 35 2HD1 ILE 35 -0.885 10.131 -1.826 261 HD13 ILE 35 3HD1 ILE 35 -2.203 11.025 -1.036 262 H THR 36 H THR 36 -3.091 6.273 0.782 263 HA THR 36 HA THR 36 -5.662 7.041 -0.506 264 HB THR 36 HB THR 36 -3.656 4.863 -1.168 265 HG1 THR 36 HG1 THR 36 -2.691 6.311 -2.226 266 HG21 THR 36 1HG2 THR 36 -4.699 4.812 -3.374 267 HG22 THR 36 2HG2 THR 36 -5.892 4.368 -2.147 268 HG23 THR 36 3HG2 THR 36 -5.920 5.999 -2.863 269 H VAL 37 H VAL 37 -4.340 4.572 1.661 270 HA VAL 37 HA VAL 37 -7.002 3.211 1.775 271 HB VAL 37 HB VAL 37 -5.962 1.074 1.749 272 HG11 VAL 37 1HG1 VAL 37 -4.741 2.749 -0.491 273 HG12 VAL 37 2HG1 VAL 37 -4.998 1.021 -0.508 274 HG13 VAL 37 3HG1 VAL 37 -6.406 2.103 -0.458 275 HG21 VAL 37 1HG2 VAL 37 -3.845 1.546 2.940 276 HG22 VAL 37 2HG2 VAL 37 -3.582 0.692 1.416 277 HG23 VAL 37 3HG2 VAL 37 -3.249 2.427 1.512 278 H GLU 38 H GLU 38 -7.259 1.709 3.654 279 HA GLU 38 HA GLU 38 -7.055 3.125 6.086 280 HB2 GLU 38 2HB GLU 38 -8.005 1.253 7.146 281 HB3 GLU 38 3HB GLU 38 -8.702 1.278 5.530 282 HG2 GLU 38 2HG GLU 38 -7.262 -0.532 4.813 283 HG3 GLU 38 3HG GLU 38 -6.353 -0.437 6.327 284 H SER 39 H SER 39 -5.919 2.720 8.067 285 HA SER 39 HA SER 39 -3.208 1.529 7.675 286 HB2 SER 39 2HB SER 39 -2.373 3.020 9.417 287 HB3 SER 39 3HB SER 39 -2.979 3.871 7.996 288 HG SER 39 HG SER 39 -3.585 4.791 10.019 289 HA PRO 40 HA PRO 40 -1.392 1.052 9.334 290 HB2 PRO 40 2HB PRO 40 -0.225 -1.314 9.985 291 HB3 PRO 40 3HB PRO 40 -0.738 -0.123 11.212 292 HG2 PRO 40 2HG PRO 40 -2.265 -2.565 10.254 293 HG3 PRO 40 3HG PRO 40 -1.901 -2.080 11.943 294 HD2 PRO 40 2HD PRO 40 -4.279 -1.475 10.745 295 HD3 PRO 40 3HD PRO 40 -3.497 -0.344 11.888 296 H ILE 41 H ILE 41 0.170 0.136 7.813 297 HA ILE 41 HA ILE 41 -0.742 -1.934 5.919 298 HB ILE 41 HB ILE 41 -1.443 0.114 4.866 299 HG12 ILE 41 2HG1 ILE 41 1.090 -0.884 3.509 300 HG13 ILE 41 3HG1 ILE 41 -0.465 -1.721 3.491 301 HG21 ILE 41 1HG2 ILE 41 -0.066 1.774 5.964 302 HG22 ILE 41 2HG2 ILE 41 1.405 1.151 5.176 303 HG23 ILE 41 3HG2 ILE 41 0.123 1.931 4.234 304 HD11 ILE 41 1HD1 ILE 41 -1.442 0.325 2.353 305 HD12 ILE 41 2HD1 ILE 41 0.216 0.953 2.204 306 HD13 ILE 41 3HD1 ILE 41 -0.229 -0.563 1.412 307 H SER 42 H SER 42 0.886 -3.239 5.159 308 HA SER 42 HA SER 42 3.534 -3.073 6.381 309 HB2 SER 42 2HB SER 42 2.353 -5.030 4.388 310 HB3 SER 42 3HB SER 42 3.947 -5.187 5.152 311 HG SER 42 HG SER 42 2.973 -5.293 7.161 312 H GLU 43 H GLU 43 5.601 -2.898 5.224 313 HA GLU 43 HA GLU 43 5.394 -0.828 3.241 314 HB2 GLU 43 2HB GLU 43 7.796 -0.653 3.425 315 HB3 GLU 43 3HB GLU 43 7.026 -0.696 4.995 316 HG2 GLU 43 2HG GLU 43 7.612 -3.120 5.203 317 HG3 GLU 43 3HG GLU 43 8.450 -3.004 3.669 318 H ASN 44 H ASN 44 5.277 -4.100 2.661 319 HA ASN 44 HA ASN 44 6.232 -3.844 -0.127 320 HB2 ASN 44 2HB ASN 44 5.205 -6.170 -0.334 321 HB3 ASN 44 3HB ASN 44 6.629 -5.975 0.683 322 HD21 ASN 44 1HD2 ASN 44 6.255 -7.897 1.684 323 HD22 ASN 44 2HD2 ASN 44 5.226 -7.843 3.111 324 H GLY 45 H GLY 45 3.096 -4.121 1.589 325 HA2 GLY 45 2HA GLY 45 1.055 -3.134 1.155 326 HA3 GLY 45 3HA GLY 45 2.042 -1.842 0.506 327 H TRP 46 H TRP 46 1.681 -1.269 -1.435 328 HA TRP 46 HA TRP 46 1.112 -0.986 -3.532 329 HB2 TRP 46 2HB TRP 46 2.157 -3.136 -4.108 330 HB3 TRP 46 3HB TRP 46 0.614 -3.938 -3.803 331 HD1 TRP 46 HD1 TRP 46 2.359 -1.759 -6.387 332 HE1 TRP 46 HE1 TRP 46 0.948 -1.666 -8.533 333 HE3 TRP 46 HE3 TRP 46 -1.787 -4.251 -4.717 334 HZ2 TRP 46 HZ2 TRP 46 -1.649 -2.556 -9.410 335 HZ3 TRP 46 HZ3 TRP 46 -3.771 -4.500 -6.202 336 HH2 TRP 46 HH2 TRP 46 -3.704 -3.693 -8.549 337 H CYS 47 H CYS 47 -0.591 -0.140 -4.476 338 HA CYS 47 HA CYS 47 -3.292 -1.193 -3.883 339 HB2 CYS 47 2HB CYS 47 -4.195 1.031 -3.751 340 HB3 CYS 47 3HB CYS 47 -2.831 0.959 -2.648 341 H ARG 48 H ARG 48 -4.830 -0.820 -5.457 342 HA ARG 48 HA ARG 48 -4.198 -1.133 -8.212 343 HB2 ARG 48 2HB ARG 48 -6.770 -0.450 -6.739 344 HB3 ARG 48 3HB ARG 48 -6.729 -0.850 -8.458 345 HG2 ARG 48 2HG ARG 48 -6.046 -3.071 -8.093 346 HG3 ARG 48 3HG ARG 48 -5.570 -2.772 -6.419 347 HD2 ARG 48 2HD ARG 48 -7.904 -2.403 -5.774 348 HD3 ARG 48 3HD ARG 48 -8.432 -2.676 -7.448 349 HE ARG 48 HE ARG 48 -7.065 -4.959 -7.000 350 HH11 ARG 48 1HH1 ARG 48 -9.319 -3.531 -4.684 351 HH12 ARG 48 2HH1 ARG 48 -9.747 -5.127 -4.089 352 HH21 ARG 48 1HH2 ARG 48 -7.802 -6.868 -6.274 353 HH22 ARG 48 2HH2 ARG 48 -8.977 -6.900 -4.967 354 H LEU 49 H LEU 49 -2.941 1.292 -7.332 355 HA LEU 49 HA LEU 49 -2.500 3.404 -7.988 356 HB2 LEU 49 2HB LEU 49 -2.031 1.837 -9.913 357 HB3 LEU 49 3HB LEU 49 -3.523 2.395 -10.653 358 HG LEU 49 HG LEU 49 -2.548 4.707 -10.812 359 HD11 LEU 49 1HD1 LEU 49 -0.026 3.378 -9.741 360 HD12 LEU 49 2HD1 LEU 49 -0.113 4.992 -10.476 361 HD13 LEU 49 3HD1 LEU 49 -0.949 4.682 -8.954 362 HD21 LEU 49 1HD2 LEU 49 -2.351 3.100 -12.667 363 HD22 LEU 49 2HD2 LEU 49 -0.953 4.181 -12.582 364 HD23 LEU 49 3HD2 LEU 49 -0.813 2.510 -11.993 365 H TYR 50 H TYR 50 -5.163 3.261 -6.814 366 HA TYR 50 HA TYR 50 -7.081 4.782 -8.206 367 HB2 TYR 50 2HB TYR 50 -6.483 4.723 -5.222 368 HB3 TYR 50 3HB TYR 50 -7.921 5.434 -5.937 369 HD1 TYR 50 HD1 TYR 50 -9.185 3.783 -7.698 370 HD2 TYR 50 HD2 TYR 50 -6.796 2.573 -4.304 371 HE1 TYR 50 HE1 TYR 50 -10.415 1.630 -7.596 372 HE2 TYR 50 HE2 TYR 50 -8.078 0.439 -4.186 373 HH TYR 50 HH TYR 50 -9.781 -0.795 -5.034 374 H ALA 51 H ALA 51 -4.430 5.935 -6.147 375 HA ALA 51 HA ALA 51 -4.563 8.603 -7.470 376 HB1 ALA 51 1HB ALA 51 -3.122 7.748 -4.922 377 HB2 ALA 51 2HB ALA 51 -3.079 9.362 -5.657 378 HB3 ALA 51 3HB ALA 51 -4.604 8.726 -5.009 379 H GLY 52 H GLY 52 -2.932 9.127 -8.845 380 HA2 GLY 52 2HA GLY 52 -0.849 7.330 -9.644 381 HA3 GLY 52 3HA GLY 52 -1.032 9.016 -10.121 382 H LYS 53 H LYS 53 1.491 7.859 -9.465 383 HA LYS 53 HA LYS 53 2.134 9.043 -6.787 384 HB2 LYS 53 2HB LYS 53 3.357 6.690 -8.259 385 HB3 LYS 53 3HB LYS 53 4.191 7.532 -6.952 386 HG2 LYS 53 2HG LYS 53 3.161 5.792 -5.839 387 HG3 LYS 53 3HG LYS 53 2.146 7.190 -5.503 388 HD2 LYS 53 2HD LYS 53 0.545 6.392 -7.270 389 HD3 LYS 53 3HD LYS 53 1.558 4.954 -7.489 390 HE2 LYS 53 2HE LYS 53 1.242 4.407 -5.086 391 HE3 LYS 53 3HE LYS 53 0.273 5.859 -4.859 392 HZ1 LYS 53 1HZ LYS 53 -1.312 4.950 -6.479 393 HZ2 LYS 53 2HZ LYS 53 -0.435 3.539 -6.571 394 HZ3 LYS 53 3HZ LYS 53 -1.160 3.935 -5.174 395 H ALA 54 H ALA 54 2.099 10.140 -9.660 396 HA ALA 54 HA ALA 54 4.705 11.552 -9.637 397 HB1 ALA 54 1HB ALA 54 2.352 11.754 -11.536 398 HB2 ALA 54 2HB ALA 54 3.882 12.643 -11.690 399 HB3 ALA 54 3HB ALA 54 3.865 10.874 -11.797 Start of MODEL 19 1 H1 VAL 1 1H VAL 1 -8.582 13.336 8.908 2 H2 VAL 1 2H VAL 1 -8.961 11.972 8.061 3 H3 VAL 1 3H VAL 1 -8.354 11.870 9.596 4 HA VAL 1 HA VAL 1 -10.272 12.999 10.491 5 HB VAL 1 HB VAL 1 -11.437 12.707 7.697 6 HG11 VAL 1 1HG1 VAL 1 -12.637 13.660 10.322 7 HG12 VAL 1 2HG1 VAL 1 -13.383 13.910 8.736 8 HG13 VAL 1 3HG1 VAL 1 -13.174 12.274 9.346 9 HG21 VAL 1 1HG2 VAL 1 -9.953 14.689 7.867 10 HG22 VAL 1 2HG2 VAL 1 -11.644 15.165 7.783 11 HG23 VAL 1 3HG2 VAL 1 -10.803 15.197 9.346 12 H THR 2 H THR 2 -10.497 10.365 8.034 13 HA THR 2 HA THR 2 -11.532 8.500 10.086 14 HB THR 2 HB THR 2 -13.363 9.779 8.973 15 HG1 THR 2 HG1 THR 2 -14.592 8.141 9.096 16 HG21 THR 2 1HG2 THR 2 -12.646 8.207 6.482 17 HG22 THR 2 2HG2 THR 2 -14.076 9.231 6.717 18 HG23 THR 2 3HG2 THR 2 -12.466 9.963 6.678 19 H LYS 3 H LYS 3 -11.584 6.215 9.244 20 HA LYS 3 HA LYS 3 -9.084 5.583 7.964 21 HB2 LYS 3 2HB LYS 3 -10.299 4.393 9.860 22 HB3 LYS 3 3HB LYS 3 -11.325 3.642 8.637 23 HG2 LYS 3 2HG LYS 3 -9.482 2.414 7.714 24 HG3 LYS 3 3HG LYS 3 -8.293 3.492 8.461 25 HD2 LYS 3 2HD LYS 3 -8.259 1.448 9.707 26 HD3 LYS 3 3HD LYS 3 -8.946 2.724 10.701 27 HE2 LYS 3 2HE LYS 3 -10.277 0.853 11.147 28 HE3 LYS 3 3HE LYS 3 -11.274 1.836 10.071 29 HZ1 LYS 3 1HZ LYS 3 -10.733 0.320 8.264 30 HZ2 LYS 3 2HZ LYS 3 -9.607 -0.467 9.202 31 HZ3 LYS 3 3HZ LYS 3 -11.183 -0.579 9.556 32 H LYS 4 H LYS 4 -8.583 4.657 6.008 33 HA LYS 4 HA LYS 4 -10.535 4.903 3.805 34 HB2 LYS 4 2HB LYS 4 -7.574 4.213 3.822 35 HB3 LYS 4 3HB LYS 4 -8.567 4.432 2.375 36 HG2 LYS 4 2HG LYS 4 -9.230 6.738 3.611 37 HG3 LYS 4 3HG LYS 4 -7.669 6.489 4.365 38 HD2 LYS 4 2HD LYS 4 -7.396 7.941 2.485 39 HD3 LYS 4 3HD LYS 4 -6.623 6.389 2.108 40 HE2 LYS 4 2HE LYS 4 -8.411 5.727 0.682 41 HE3 LYS 4 3HE LYS 4 -9.494 6.980 1.291 42 HZ1 LYS 4 1HZ LYS 4 -8.522 7.487 -0.931 43 HZ2 LYS 4 2HZ LYS 4 -8.238 8.653 0.181 44 HZ3 LYS 4 3HZ LYS 4 -7.028 7.641 -0.218 45 H ALA 5 H ALA 5 -10.291 3.224 2.016 46 HA ALA 5 HA ALA 5 -11.887 1.124 2.812 47 HB1 ALA 5 1HB ALA 5 -11.632 0.205 0.589 48 HB2 ALA 5 2HB ALA 5 -11.736 1.984 0.516 49 HB3 ALA 5 3HB ALA 5 -10.163 1.177 0.319 50 H SER 6 H SER 6 -11.732 -0.999 3.347 51 HA SER 6 HA SER 6 -9.286 -1.812 4.552 52 HB2 SER 6 2HB SER 6 -10.415 -3.691 5.400 53 HB3 SER 6 3HB SER 6 -11.545 -2.332 5.445 54 HG SER 6 HG SER 6 -12.583 -4.111 4.703 55 H HIS 7 H HIS 7 -8.108 -3.811 4.242 56 HA HIS 7 HA HIS 7 -7.440 -4.281 1.440 57 HB2 HIS 7 2HB HIS 7 -6.475 -5.438 4.055 58 HB3 HIS 7 3HB HIS 7 -6.015 -6.168 2.528 59 HD2 HIS 7 HD2 HIS 7 -6.248 -2.321 2.587 60 HE1 HIS 7 HE1 HIS 7 -2.121 -3.331 2.411 61 HE2 HIS 7 HE2 HIS 7 -3.802 -1.427 2.280 62 H LYS 8 H LYS 8 -9.846 -5.670 3.447 63 HA LYS 8 HA LYS 8 -10.430 -7.996 1.733 64 HB2 LYS 8 2HB LYS 8 -12.129 -6.397 3.707 65 HB3 LYS 8 3HB LYS 8 -12.703 -7.814 2.845 66 HG2 LYS 8 2HG LYS 8 -10.315 -7.815 4.714 67 HG3 LYS 8 3HG LYS 8 -11.981 -8.156 5.197 68 HD2 LYS 8 2HD LYS 8 -12.049 -10.018 3.491 69 HD3 LYS 8 3HD LYS 8 -10.324 -9.775 3.189 70 HE2 LYS 8 2HE LYS 8 -11.564 -10.500 5.882 71 HE3 LYS 8 3HE LYS 8 -10.886 -11.665 4.745 72 HZ1 LYS 8 1HZ LYS 8 -9.362 -9.501 6.086 73 HZ2 LYS 8 2HZ LYS 8 -9.274 -11.097 6.424 74 HZ3 LYS 8 3HZ LYS 8 -8.720 -10.545 4.987 75 H ASP 9 H ASP 9 -11.982 -4.838 2.224 76 HA ASP 9 HA ASP 9 -13.747 -4.894 0.071 77 HB2 ASP 9 2HB ASP 9 -13.517 -3.137 1.948 78 HB3 ASP 9 3HB ASP 9 -12.330 -2.371 0.926 79 H ALA 10 H ALA 10 -10.443 -3.665 0.035 80 HA ALA 10 HA ALA 10 -10.433 -3.107 -2.832 81 HB1 ALA 10 1HB ALA 10 -8.164 -3.026 -0.810 82 HB2 ALA 10 2HB ALA 10 -8.241 -2.231 -2.401 83 HB3 ALA 10 3HB ALA 10 -9.313 -1.699 -1.096 84 H GLY 11 H GLY 11 -10.158 -6.050 -1.306 85 HA2 GLY 11 2HA GLY 11 -9.359 -8.101 -1.930 86 HA3 GLY 11 3HA GLY 11 -9.436 -7.474 -3.580 87 H TYR 12 H TYR 12 -7.240 -6.585 -0.873 88 HA TYR 12 HA TYR 12 -5.073 -5.914 -2.358 89 HB2 TYR 12 2HB TYR 12 -5.077 -5.407 -0.052 90 HB3 TYR 12 3HB TYR 12 -5.193 -7.103 0.406 91 HD1 TYR 12 HD1 TYR 12 -2.803 -5.118 -1.784 92 HD2 TYR 12 HD2 TYR 12 -3.292 -7.843 1.526 93 HE1 TYR 12 HE1 TYR 12 -0.357 -5.499 -1.735 94 HE2 TYR 12 HE2 TYR 12 -0.824 -8.136 1.641 95 HH TYR 12 HH TYR 12 1.380 -6.524 -0.692 96 H GLN 13 H GLN 13 -3.460 -6.737 -3.492 97 HA GLN 13 HA GLN 13 -3.527 -9.456 -4.357 98 HB2 GLN 13 2HB GLN 13 -1.713 -8.815 -5.833 99 HB3 GLN 13 3HB GLN 13 -2.983 -7.611 -5.812 100 HG2 GLN 13 2HG GLN 13 -1.487 -6.217 -4.208 101 HG3 GLN 13 3HG GLN 13 -0.206 -7.387 -4.583 102 HE21 GLN 13 1HE2 GLN 13 1.249 -6.273 -5.761 103 HE22 GLN 13 2HE2 GLN 13 0.748 -5.454 -7.218 104 H GLU 14 H GLU 14 -1.889 -11.087 -4.338 105 HA GLU 14 HA GLU 14 -0.594 -11.497 -1.805 106 HB2 GLU 14 2HB GLU 14 0.081 -13.603 -2.728 107 HB3 GLU 14 3HB GLU 14 -1.560 -13.254 -3.260 108 HG2 GLU 14 2HG GLU 14 -0.402 -12.308 -5.429 109 HG3 GLU 14 3HG GLU 14 1.013 -13.187 -4.872 110 H SER 15 H SER 15 0.436 -9.511 -4.234 111 HA SER 15 HA SER 15 3.268 -10.348 -4.219 112 HB2 SER 15 2HB SER 15 2.997 -9.595 -6.714 113 HB3 SER 15 3HB SER 15 2.334 -11.129 -6.167 114 HG SER 15 HG SER 15 0.909 -9.542 -7.451 115 HA PRO 16 HA PRO 16 4.486 -5.970 -4.893 116 HB2 PRO 16 2HB PRO 16 6.949 -6.464 -6.049 117 HB3 PRO 16 3HB PRO 16 6.648 -6.409 -4.293 118 HG2 PRO 16 2HG PRO 16 7.303 -8.761 -5.937 119 HG3 PRO 16 3HG PRO 16 7.212 -8.608 -4.157 120 HD2 PRO 16 2HD PRO 16 5.187 -9.613 -6.066 121 HD3 PRO 16 3HD PRO 16 5.280 -9.868 -4.315 122 H ASN 17 H ASN 17 4.150 -4.712 -6.716 123 HA ASN 17 HA ASN 17 3.365 -6.105 -9.233 124 HB2 ASN 17 2HB ASN 17 1.757 -4.541 -8.736 125 HB3 ASN 17 3HB ASN 17 2.869 -3.431 -7.979 126 HD21 ASN 17 1HD2 ASN 17 2.375 -1.567 -9.222 127 HD22 ASN 17 2HD2 ASN 17 2.545 -1.509 -10.959 128 H GLY 18 H GLY 18 5.185 -6.809 -10.260 129 HA2 GLY 18 2HA GLY 18 7.317 -6.859 -11.147 130 HA3 GLY 18 3HA GLY 18 7.287 -5.095 -11.246 131 H ALA 19 H ALA 19 8.326 -3.905 -9.716 132 HA ALA 19 HA ALA 19 9.137 -5.172 -7.150 133 HB1 ALA 19 1HB ALA 19 10.823 -3.264 -8.814 134 HB2 ALA 19 2HB ALA 19 11.236 -3.896 -7.206 135 HB3 ALA 19 3HB ALA 19 11.119 -4.999 -8.587 136 H LYS 20 H LYS 20 6.970 -2.998 -8.352 137 HA LYS 20 HA LYS 20 7.364 -0.795 -6.480 138 HB2 LYS 20 2HB LYS 20 5.027 -1.621 -8.236 139 HB3 LYS 20 3HB LYS 20 5.089 -0.143 -7.291 140 HG2 LYS 20 2HG LYS 20 6.396 0.927 -8.766 141 HG3 LYS 20 3HG LYS 20 7.520 -0.415 -8.934 142 HD2 LYS 20 2HD LYS 20 5.959 -1.554 -10.483 143 HD3 LYS 20 3HD LYS 20 4.837 -0.207 -10.344 144 HE2 LYS 20 2HE LYS 20 7.689 -0.130 -11.436 145 HE3 LYS 20 3HE LYS 20 6.217 -0.109 -12.414 146 HZ1 LYS 20 1HZ LYS 20 5.652 2.047 -11.403 147 HZ2 LYS 20 2HZ LYS 20 6.977 2.006 -10.468 148 HZ3 LYS 20 3HZ LYS 20 7.173 2.130 -12.074 149 H ARG 21 H ARG 21 6.516 -0.422 -4.589 150 HA ARG 21 HA ARG 21 4.211 -1.694 -3.511 151 HB2 ARG 21 2HB ARG 21 5.000 -3.114 -1.849 152 HB3 ARG 21 3HB ARG 21 6.138 -3.462 -3.145 153 HG2 ARG 21 2HG ARG 21 7.696 -1.716 -2.045 154 HG3 ARG 21 3HG ARG 21 6.541 -1.712 -0.701 155 HD2 ARG 21 2HD ARG 21 6.868 -4.229 -0.551 156 HD3 ARG 21 3HD ARG 21 8.253 -4.030 -1.634 157 HE ARG 21 HE ARG 21 7.966 -3.121 1.171 158 HH11 ARG 21 1HH1 ARG 21 9.903 -2.486 -1.737 159 HH12 ARG 21 2HH1 ARG 21 11.270 -2.021 -0.734 160 HH21 ARG 21 1HH2 ARG 21 10.041 -2.905 2.217 161 HH22 ARG 21 2HH2 ARG 21 11.308 -2.143 1.253 162 H CYS 22 H CYS 22 3.632 -0.821 -1.326 163 HA CYS 22 HA CYS 22 3.772 1.729 -0.690 164 HB2 CYS 22 2HB CYS 22 4.033 -0.595 1.272 165 HB3 CYS 22 3HB CYS 22 3.208 0.967 1.539 166 H GLY 23 H GLY 23 6.324 -0.448 0.741 167 HA2 GLY 23 2HA GLY 23 7.897 1.541 1.919 168 HA3 GLY 23 3HA GLY 23 8.496 -0.016 1.346 169 H THR 24 H THR 24 7.601 1.120 -1.524 170 HA THR 24 HA THR 24 9.712 3.159 -1.929 171 HB THR 24 HB THR 24 10.264 2.145 -4.136 172 HG1 THR 24 HG1 THR 24 9.250 0.513 -4.784 173 HG21 THR 24 1HG2 THR 24 11.740 1.803 -2.186 174 HG22 THR 24 2HG2 THR 24 10.845 0.328 -1.768 175 HG23 THR 24 3HG2 THR 24 11.751 0.419 -3.294 176 H CYS 25 H CYS 25 6.778 3.290 -1.545 177 HA CYS 25 HA CYS 25 5.654 4.196 -4.094 178 HB2 CYS 25 2HB CYS 25 4.272 3.042 -2.512 179 HB3 CYS 25 3HB CYS 25 4.724 4.133 -1.211 180 H ARG 26 H ARG 26 4.437 6.281 -4.014 181 HA ARG 26 HA ARG 26 6.247 8.604 -3.734 182 HB2 ARG 26 2HB ARG 26 4.656 8.276 -5.674 183 HB3 ARG 26 3HB ARG 26 3.303 8.439 -4.550 184 HG2 ARG 26 2HG ARG 26 4.137 10.776 -3.997 185 HG3 ARG 26 3HG ARG 26 5.377 10.562 -5.237 186 HD2 ARG 26 2HD ARG 26 3.482 10.174 -6.893 187 HD3 ARG 26 3HD ARG 26 2.351 10.637 -5.615 188 HE ARG 26 HE ARG 26 4.122 12.390 -7.169 189 HH11 ARG 26 1HH1 ARG 26 2.032 12.416 -4.293 190 HH12 ARG 26 2HH1 ARG 26 2.335 14.102 -4.057 191 HH21 ARG 26 1HH2 ARG 26 4.355 14.438 -6.818 192 HH22 ARG 26 2HH2 ARG 26 3.614 15.239 -5.425 193 H GLN 27 H GLN 27 3.614 7.137 -1.962 194 HA GLN 27 HA GLN 27 3.232 9.562 -0.259 195 HB2 GLN 27 2HB GLN 27 0.825 9.420 -0.760 196 HB3 GLN 27 3HB GLN 27 1.809 9.713 -2.192 197 HG2 GLN 27 2HG GLN 27 1.678 7.266 -2.757 198 HG3 GLN 27 3HG GLN 27 0.602 7.030 -1.382 199 HE21 GLN 27 1HE2 GLN 27 -0.459 6.100 -3.442 200 HE22 GLN 27 2HE2 GLN 27 -1.601 7.169 -4.251 201 H PHE 28 H PHE 28 4.462 7.016 0.425 202 HA PHE 28 HA PHE 28 2.651 5.591 2.250 203 HB2 PHE 28 2HB PHE 28 4.239 4.347 0.987 204 HB3 PHE 28 3HB PHE 28 5.562 5.402 1.436 205 HD1 PHE 28 HD1 PHE 28 3.024 3.185 3.153 206 HD2 PHE 28 HD2 PHE 28 7.109 4.538 2.925 207 HE1 PHE 28 HE1 PHE 28 3.665 1.578 4.940 208 HE2 PHE 28 HE2 PHE 28 7.745 2.924 4.704 209 HZ PHE 28 HZ PHE 28 6.018 1.445 5.713 210 H ARG 29 H ARG 29 4.978 8.202 2.460 211 HA ARG 29 HA ARG 29 5.835 9.442 4.233 212 HB2 ARG 29 2HB ARG 29 2.876 9.327 4.589 213 HB3 ARG 29 3HB ARG 29 3.824 10.094 5.844 214 HG2 ARG 29 2HG ARG 29 2.932 11.654 4.136 215 HG3 ARG 29 3HG ARG 29 4.652 11.776 4.465 216 HD2 ARG 29 2HD ARG 29 5.202 10.628 2.368 217 HD3 ARG 29 3HD ARG 29 3.491 10.284 2.085 218 HE ARG 29 HE ARG 29 3.219 12.365 1.187 219 HH11 ARG 29 1HH1 ARG 29 6.237 12.602 3.042 220 HH12 ARG 29 2HH1 ARG 29 6.538 14.198 2.381 221 HH21 ARG 29 1HH2 ARG 29 3.707 14.453 0.542 222 HH22 ARG 29 2HH2 ARG 29 5.124 15.226 1.252 223 HA PRO 30 HA PRO 30 6.447 5.613 6.636 224 HB2 PRO 30 2HB PRO 30 9.199 5.861 7.057 225 HB3 PRO 30 3HB PRO 30 8.420 5.113 5.631 226 HG2 PRO 30 2HG PRO 30 9.390 7.971 5.942 227 HG3 PRO 30 3HG PRO 30 9.707 6.836 4.590 228 HD2 PRO 30 2HD PRO 30 7.775 8.669 4.380 229 HD3 PRO 30 3HD PRO 30 7.451 7.001 3.817 230 HA PRO 31 HA PRO 31 7.838 4.386 8.438 231 HB2 PRO 31 2HB PRO 31 6.811 3.217 10.669 232 HB3 PRO 31 3HB PRO 31 8.319 4.170 10.665 233 HG2 PRO 31 2HG PRO 31 5.522 5.134 11.380 234 HG3 PRO 31 3HG PRO 31 7.026 5.312 12.347 235 HD2 PRO 31 2HD PRO 31 6.196 7.321 10.744 236 HD3 PRO 31 3HD PRO 31 7.928 6.890 10.824 237 H SER 32 H SER 32 4.464 5.503 8.817 238 HA SER 32 HA SER 32 3.521 3.044 7.444 239 HB2 SER 32 2HB SER 32 1.983 2.497 9.347 240 HB3 SER 32 3HB SER 32 3.686 2.287 9.695 241 HG SER 32 HG SER 32 2.156 4.573 10.493 242 H SER 33 H SER 33 3.071 6.263 7.157 243 HA SER 33 HA SER 33 0.098 6.170 7.394 244 HB2 SER 33 2HB SER 33 1.961 8.509 7.078 245 HB3 SER 33 3HB SER 33 0.197 8.584 7.237 246 HG SER 33 HG SER 33 0.893 8.876 9.241 247 H CYS 34 H CYS 34 -0.377 4.982 5.480 248 HA CYS 34 HA CYS 34 0.177 6.205 2.841 249 HB2 CYS 34 2HB CYS 34 0.079 3.823 2.882 250 HB3 CYS 34 3HB CYS 34 -1.516 3.823 3.660 251 H ILE 35 H ILE 35 -1.465 6.800 1.384 252 HA ILE 35 HA ILE 35 -3.778 8.234 2.602 253 HB ILE 35 HB ILE 35 -1.866 9.649 1.763 254 HG12 ILE 35 2HG1 ILE 35 -3.170 11.342 0.614 255 HG13 ILE 35 3HG1 ILE 35 -4.498 10.222 0.348 256 HG21 ILE 35 1HG2 ILE 35 -2.831 8.800 -1.002 257 HG22 ILE 35 2HG2 ILE 35 -1.579 9.995 -0.626 258 HG23 ILE 35 3HG2 ILE 35 -1.309 8.291 -0.236 259 HD11 ILE 35 1HD1 ILE 35 -4.904 10.091 2.780 260 HD12 ILE 35 2HD1 ILE 35 -3.465 11.095 3.088 261 HD13 ILE 35 3HD1 ILE 35 -4.874 11.778 2.253 262 H THR 36 H THR 36 -3.079 5.585 0.679 263 HA THR 36 HA THR 36 -5.538 5.894 -0.998 264 HB THR 36 HB THR 36 -3.373 3.791 -1.252 265 HG1 THR 36 HG1 THR 36 -2.292 5.214 -2.176 266 HG21 THR 36 1HG2 THR 36 -4.286 3.700 -3.608 267 HG22 THR 36 2HG2 THR 36 -5.423 3.113 -2.388 268 HG23 THR 36 3HG2 THR 36 -5.629 4.738 -3.086 269 H VAL 37 H VAL 37 -4.129 3.729 1.479 270 HA VAL 37 HA VAL 37 -6.695 2.161 1.537 271 HB VAL 37 HB VAL 37 -5.412 0.145 1.859 272 HG11 VAL 37 1HG1 VAL 37 -5.873 0.885 -0.467 273 HG12 VAL 37 2HG1 VAL 37 -4.258 1.637 -0.521 274 HG13 VAL 37 3HG1 VAL 37 -4.410 -0.108 -0.320 275 HG21 VAL 37 1HG2 VAL 37 -3.433 0.925 3.068 276 HG22 VAL 37 2HG2 VAL 37 -2.914 0.112 1.576 277 HG23 VAL 37 3HG2 VAL 37 -2.905 1.868 1.662 278 H GLU 38 H GLU 38 -7.017 0.842 3.516 279 HA GLU 38 HA GLU 38 -7.098 2.172 5.910 280 HB2 GLU 38 2HB GLU 38 -7.007 -0.117 7.002 281 HB3 GLU 38 3HB GLU 38 -8.239 0.103 5.763 282 HG2 GLU 38 2HG GLU 38 -7.161 -1.290 4.248 283 HG3 GLU 38 3HG GLU 38 -5.586 -1.014 4.930 284 H SER 39 H SER 39 -5.706 3.110 7.147 285 HA SER 39 HA SER 39 -2.903 2.140 7.413 286 HB2 SER 39 2HB SER 39 -3.273 3.869 5.673 287 HB3 SER 39 3HB SER 39 -3.816 4.964 6.956 288 HG SER 39 HG SER 39 -1.825 5.085 7.724 289 HA PRO 40 HA PRO 40 -0.940 3.473 9.017 290 HB2 PRO 40 2HB PRO 40 0.199 2.036 11.061 291 HB3 PRO 40 3HB PRO 40 -0.260 3.761 11.163 292 HG2 PRO 40 2HG PRO 40 -1.886 1.360 12.059 293 HG3 PRO 40 3HG PRO 40 -1.494 2.845 12.987 294 HD2 PRO 40 2HD PRO 40 -3.855 2.628 11.706 295 HD3 PRO 40 3HD PRO 40 -2.956 4.171 11.649 296 H ILE 41 H ILE 41 0.236 2.198 7.754 297 HA ILE 41 HA ILE 41 -0.540 -0.659 7.394 298 HB ILE 41 HB ILE 41 -1.440 0.792 5.679 299 HG12 ILE 41 2HG1 ILE 41 -0.602 -0.166 3.610 300 HG13 ILE 41 3HG1 ILE 41 0.832 -0.775 4.409 301 HG21 ILE 41 1HG2 ILE 41 0.015 2.684 5.663 302 HG22 ILE 41 2HG2 ILE 41 1.422 1.695 5.208 303 HG23 ILE 41 3HG2 ILE 41 0.105 1.954 4.061 304 HD11 ILE 41 1HD1 ILE 41 -2.036 -1.649 4.944 305 HD12 ILE 41 2HD1 ILE 41 -0.803 -2.542 4.027 306 HD13 ILE 41 3HD1 ILE 41 -0.594 -2.305 5.760 307 H SER 42 H SER 42 0.987 -2.123 6.619 308 HA SER 42 HA SER 42 3.681 -2.020 7.631 309 HB2 SER 42 2HB SER 42 2.459 -3.840 5.527 310 HB3 SER 42 3HB SER 42 3.891 -4.177 6.508 311 HG SER 42 HG SER 42 1.879 -5.165 7.171 312 H GLU 43 H GLU 43 5.630 -2.445 6.147 313 HA GLU 43 HA GLU 43 5.892 -0.543 4.018 314 HB2 GLU 43 2HB GLU 43 8.053 -1.614 3.597 315 HB3 GLU 43 3HB GLU 43 7.801 -1.348 5.321 316 HG2 GLU 43 2HG GLU 43 7.340 -3.646 5.746 317 HG3 GLU 43 3HG GLU 43 7.150 -4.000 4.033 318 H ASN 44 H ASN 44 4.030 -3.255 3.811 319 HA ASN 44 HA ASN 44 4.141 -3.368 0.878 320 HB2 ASN 44 2HB ASN 44 4.008 -5.902 1.054 321 HB3 ASN 44 3HB ASN 44 5.522 -5.157 1.587 322 HD21 ASN 44 1HD2 ASN 44 6.414 -6.308 3.085 323 HD22 ASN 44 2HD2 ASN 44 5.545 -6.802 4.531 324 H GLY 45 H GLY 45 2.158 -3.792 -0.095 325 HA2 GLY 45 2HA GLY 45 -0.378 -4.275 0.976 326 HA3 GLY 45 3HA GLY 45 0.036 -2.642 1.496 327 H TRP 46 H TRP 46 1.327 -3.403 -1.623 328 HA TRP 46 HA TRP 46 0.520 -1.014 -2.602 329 HB2 TRP 46 2HB TRP 46 2.292 -2.483 -3.514 330 HB3 TRP 46 3HB TRP 46 1.075 -3.486 -4.269 331 HD1 TRP 46 HD1 TRP 46 2.781 -0.067 -4.649 332 HE1 TRP 46 HE1 TRP 46 2.391 0.825 -7.029 333 HE3 TRP 46 HE3 TRP 46 -0.680 -3.485 -6.218 334 HZ2 TRP 46 HZ2 TRP 46 0.669 0.238 -9.249 335 HZ3 TRP 46 HZ3 TRP 46 -1.593 -3.355 -8.551 336 HH2 TRP 46 HH2 TRP 46 -0.987 -1.487 -10.033 337 H CYS 47 H CYS 47 -1.055 -0.058 -3.622 338 HA CYS 47 HA CYS 47 -3.663 -1.372 -3.697 339 HB2 CYS 47 2HB CYS 47 -4.332 1.075 -3.642 340 HB3 CYS 47 3HB CYS 47 -3.236 0.597 -2.337 341 H ARG 48 H ARG 48 -2.586 1.246 -5.571 342 HA ARG 48 HA ARG 48 -2.154 0.055 -8.088 343 HB2 ARG 48 2HB ARG 48 -4.898 0.512 -7.734 344 HB3 ARG 48 3HB ARG 48 -4.391 1.915 -8.651 345 HG2 ARG 48 2HG ARG 48 -3.835 -1.005 -9.385 346 HG3 ARG 48 3HG ARG 48 -5.148 -0.056 -10.035 347 HD2 ARG 48 2HD ARG 48 -2.190 0.392 -10.508 348 HD3 ARG 48 3HD ARG 48 -3.372 -0.196 -11.666 349 HE ARG 48 HE ARG 48 -2.814 2.564 -10.941 350 HH11 ARG 48 1HH1 ARG 48 -5.387 0.602 -12.431 351 HH12 ARG 48 2HH1 ARG 48 -6.149 2.090 -12.991 352 HH21 ARG 48 1HH2 ARG 48 -3.833 4.217 -11.852 353 HH22 ARG 48 2HH2 ARG 48 -5.403 3.977 -12.627 354 H LEU 49 H LEU 49 -2.194 2.692 -5.984 355 HA LEU 49 HA LEU 49 -1.329 4.721 -5.869 356 HB2 LEU 49 2HB LEU 49 0.580 2.966 -6.251 357 HB3 LEU 49 3HB LEU 49 0.857 3.833 -7.753 358 HG LEU 49 HG LEU 49 0.933 4.959 -4.912 359 HD11 LEU 49 1HD1 LEU 49 3.131 4.479 -6.967 360 HD12 LEU 49 2HD1 LEU 49 3.347 5.209 -5.362 361 HD13 LEU 49 3HD1 LEU 49 2.840 3.522 -5.494 362 HD21 LEU 49 1HD2 LEU 49 1.894 7.010 -5.938 363 HD22 LEU 49 2HD2 LEU 49 1.512 6.366 -7.545 364 HD23 LEU 49 3HD2 LEU 49 0.209 6.763 -6.395 365 H TYR 50 H TYR 50 -2.972 5.961 -6.774 366 HA TYR 50 HA TYR 50 -3.237 6.316 -9.639 367 HB2 TYR 50 2HB TYR 50 -4.749 7.553 -7.327 368 HB3 TYR 50 3HB TYR 50 -5.180 7.707 -9.021 369 HD1 TYR 50 HD1 TYR 50 -5.732 5.626 -10.392 370 HD2 TYR 50 HD2 TYR 50 -5.581 5.663 -6.082 371 HE1 TYR 50 HE1 TYR 50 -7.180 3.600 -10.319 372 HE2 TYR 50 HE2 TYR 50 -7.033 3.644 -6.014 373 HH TYR 50 HH TYR 50 -8.230 2.121 -7.224 374 H ALA 51 H ALA 51 -0.713 7.264 -8.951 375 HA ALA 51 HA ALA 51 -0.866 10.216 -9.415 376 HB1 ALA 51 1HB ALA 51 1.311 8.754 -7.895 377 HB2 ALA 51 2HB ALA 51 1.073 10.503 -8.052 378 HB3 ALA 51 3HB ALA 51 -0.084 9.549 -7.119 379 H GLY 52 H GLY 52 1.208 11.074 -10.492 380 HA2 GLY 52 2HA GLY 52 1.709 9.697 -12.953 381 HA3 GLY 52 3HA GLY 52 2.491 11.175 -12.388 382 H LYS 53 H LYS 53 3.505 10.115 -9.967 383 HA LYS 53 HA LYS 53 5.738 8.335 -10.821 384 HB2 LYS 53 2HB LYS 53 5.232 10.196 -8.542 385 HB3 LYS 53 3HB LYS 53 6.058 8.706 -8.125 386 HG2 LYS 53 2HG LYS 53 7.721 10.325 -8.589 387 HG3 LYS 53 3HG LYS 53 7.758 9.100 -9.857 388 HD2 LYS 53 2HD LYS 53 6.486 10.695 -11.361 389 HD3 LYS 53 3HD LYS 53 6.535 11.886 -10.052 390 HE2 LYS 53 2HE LYS 53 8.385 12.516 -11.327 391 HE3 LYS 53 3HE LYS 53 9.117 11.506 -10.072 392 HZ1 LYS 53 1HZ LYS 53 10.004 10.750 -12.108 393 HZ2 LYS 53 2HZ LYS 53 8.827 9.631 -11.821 394 HZ3 LYS 53 3HZ LYS 53 8.570 10.845 -12.895 395 H ALA 54 H ALA 54 4.555 6.559 -11.365 396 HA ALA 54 HA ALA 54 3.837 4.719 -9.154 397 HB1 ALA 54 1HB ALA 54 1.730 5.846 -9.801 398 HB2 ALA 54 2HB ALA 54 1.987 5.380 -11.491 399 HB3 ALA 54 3HB ALA 54 1.702 4.135 -10.252 Start of MODEL 20 1 H1 VAL 1 1H VAL 1 -14.364 12.979 9.705 2 H2 VAL 1 2H VAL 1 -13.075 13.995 9.646 3 H3 VAL 1 3H VAL 1 -12.859 12.357 9.683 4 HA VAL 1 HA VAL 1 -14.161 13.819 7.481 5 HB VAL 1 HB VAL 1 -12.182 13.057 6.128 6 HG11 VAL 1 1HG1 VAL 1 -12.527 15.397 6.835 7 HG12 VAL 1 2HG1 VAL 1 -11.599 15.087 8.321 8 HG13 VAL 1 3HG1 VAL 1 -10.814 14.963 6.740 9 HG21 VAL 1 1HG2 VAL 1 -11.236 11.409 7.780 10 HG22 VAL 1 2HG2 VAL 1 -10.070 12.608 7.209 11 HG23 VAL 1 3HG2 VAL 1 -10.772 12.771 8.825 12 H THR 2 H THR 2 -14.722 12.549 5.635 13 HA THR 2 HA THR 2 -15.911 10.060 6.222 14 HB THR 2 HB THR 2 -16.533 11.589 4.388 15 HG1 THR 2 HG1 THR 2 -17.376 10.041 3.307 16 HG21 THR 2 1HG2 THR 2 -14.291 10.269 2.809 17 HG22 THR 2 2HG2 THR 2 -15.520 11.390 2.197 18 HG23 THR 2 3HG2 THR 2 -14.298 11.965 3.345 19 H LYS 3 H LYS 3 -15.481 7.961 5.627 20 HA LYS 3 HA LYS 3 -13.102 7.008 6.695 21 HB2 LYS 3 2HB LYS 3 -15.423 5.937 6.403 22 HB3 LYS 3 3HB LYS 3 -14.893 5.481 4.783 23 HG2 LYS 3 2HG LYS 3 -12.987 4.182 5.883 24 HG3 LYS 3 3HG LYS 3 -13.682 4.619 7.442 25 HD2 LYS 3 2HD LYS 3 -14.461 2.402 6.874 26 HD3 LYS 3 3HD LYS 3 -15.814 3.522 6.792 27 HE2 LYS 3 2HE LYS 3 -15.974 1.994 4.947 28 HE3 LYS 3 3HE LYS 3 -15.624 3.595 4.303 29 HZ1 LYS 3 1HZ LYS 3 -13.313 2.929 4.034 30 HZ2 LYS 3 2HZ LYS 3 -13.573 1.489 4.749 31 HZ3 LYS 3 3HZ LYS 3 -14.243 1.826 3.275 32 H LYS 4 H LYS 4 -11.167 6.156 5.963 33 HA LYS 4 HA LYS 4 -10.128 6.489 3.298 34 HB2 LYS 4 2HB LYS 4 -9.296 4.657 5.590 35 HB3 LYS 4 3HB LYS 4 -8.354 4.975 4.127 36 HG2 LYS 4 2HG LYS 4 -8.461 7.443 4.617 37 HG3 LYS 4 3HG LYS 4 -9.300 7.097 6.105 38 HD2 LYS 4 2HD LYS 4 -7.035 7.494 6.660 39 HD3 LYS 4 3HD LYS 4 -7.425 5.783 6.929 40 HE2 LYS 4 2HE LYS 4 -6.368 5.272 4.707 41 HE3 LYS 4 3HE LYS 4 -5.850 6.961 4.608 42 HZ1 LYS 4 1HZ LYS 4 -4.547 6.674 6.600 43 HZ2 LYS 4 2HZ LYS 4 -5.083 5.143 6.848 44 HZ3 LYS 4 3HZ LYS 4 -4.139 5.496 5.557 45 H ALA 5 H ALA 5 -9.331 4.620 1.971 46 HA ALA 5 HA ALA 5 -11.563 2.892 1.187 47 HB1 ALA 5 1HB ALA 5 -8.652 2.912 0.282 48 HB2 ALA 5 2HB ALA 5 -9.990 2.040 -0.491 49 HB3 ALA 5 3HB ALA 5 -9.982 3.814 -0.481 50 H SER 6 H SER 6 -11.844 0.700 1.689 51 HA SER 6 HA SER 6 -10.437 -0.184 4.044 52 HB2 SER 6 2HB SER 6 -11.804 -2.098 4.105 53 HB3 SER 6 3HB SER 6 -12.831 -0.747 3.627 54 HG SER 6 HG SER 6 -13.095 -1.637 1.682 55 H HIS 7 H HIS 7 -9.177 -2.075 4.357 56 HA HIS 7 HA HIS 7 -7.177 -2.647 2.385 57 HB2 HIS 7 2HB HIS 7 -6.778 -4.715 3.796 58 HB3 HIS 7 3HB HIS 7 -6.608 -3.149 4.587 59 HD2 HIS 7 HD2 HIS 7 -7.861 -2.835 6.769 60 HE1 HIS 7 HE1 HIS 7 -10.870 -5.833 6.382 61 HE2 HIS 7 HE2 HIS 7 -9.919 -4.011 7.907 62 H LYS 8 H LYS 8 -10.330 -4.129 2.913 63 HA LYS 8 HA LYS 8 -10.160 -6.293 1.026 64 HB2 LYS 8 2HB LYS 8 -11.871 -6.078 2.810 65 HB3 LYS 8 3HB LYS 8 -12.583 -4.727 1.934 66 HG2 LYS 8 2HG LYS 8 -13.880 -6.527 1.338 67 HG3 LYS 8 3HG LYS 8 -12.863 -6.333 -0.074 68 HD2 LYS 8 2HD LYS 8 -11.379 -8.178 0.811 69 HD3 LYS 8 3HD LYS 8 -12.500 -8.394 2.153 70 HE2 LYS 8 2HE LYS 8 -13.033 -8.879 -0.814 71 HE3 LYS 8 3HE LYS 8 -12.878 -10.075 0.468 72 HZ1 LYS 8 1HZ LYS 8 -14.891 -8.891 1.486 73 HZ2 LYS 8 2HZ LYS 8 -15.109 -8.215 0.003 74 HZ3 LYS 8 3HZ LYS 8 -15.177 -9.841 0.159 75 H ASP 9 H ASP 9 -11.614 -3.044 0.616 76 HA ASP 9 HA ASP 9 -12.188 -3.275 -2.139 77 HB2 ASP 9 2HB ASP 9 -11.753 -0.924 -0.249 78 HB3 ASP 9 3HB ASP 9 -12.311 -0.749 -1.884 79 H ALA 10 H ALA 10 -9.242 -2.161 -0.480 80 HA ALA 10 HA ALA 10 -7.858 -1.392 -2.927 81 HB1 ALA 10 1HB ALA 10 -5.960 -1.108 -1.384 82 HB2 ALA 10 2HB ALA 10 -7.429 -0.355 -0.730 83 HB3 ALA 10 3HB ALA 10 -6.869 -1.917 -0.091 84 H GLY 11 H GLY 11 -8.423 -4.471 -1.394 85 HA2 GLY 11 2HA GLY 11 -7.705 -6.590 -1.864 86 HA3 GLY 11 3HA GLY 11 -7.265 -5.972 -3.457 87 H TYR 12 H TYR 12 -5.783 -5.163 -0.270 88 HA TYR 12 HA TYR 12 -3.253 -5.024 -1.390 89 HB2 TYR 12 2HB TYR 12 -2.363 -4.515 0.637 90 HB3 TYR 12 3HB TYR 12 -4.014 -3.962 0.755 91 HD1 TYR 12 HD1 TYR 12 -5.528 -6.341 1.661 92 HD2 TYR 12 HD2 TYR 12 -1.585 -5.007 2.767 93 HE1 TYR 12 HE1 TYR 12 -5.790 -7.414 3.883 94 HE2 TYR 12 HE2 TYR 12 -1.866 -6.048 5.012 95 HH TYR 12 HH TYR 12 -3.264 -7.211 6.433 96 H GLN 13 H GLN 13 -1.375 -6.176 -1.479 97 HA GLN 13 HA GLN 13 -1.722 -9.131 -1.275 98 HB2 GLN 13 2HB GLN 13 -0.139 -9.244 -3.220 99 HB3 GLN 13 3HB GLN 13 -1.752 -8.662 -3.514 100 HG2 GLN 13 2HG GLN 13 -0.887 -6.305 -3.606 101 HG3 GLN 13 3HG GLN 13 0.754 -6.966 -3.414 102 HE21 GLN 13 1HE2 GLN 13 1.576 -6.308 -5.290 103 HE22 GLN 13 2HE2 GLN 13 1.134 -7.141 -6.761 104 H GLU 14 H GLU 14 0.214 -10.426 -1.192 105 HA GLU 14 HA GLU 14 1.823 -9.533 1.077 106 HB2 GLU 14 2HB GLU 14 2.485 -11.783 1.285 107 HB3 GLU 14 3HB GLU 14 0.785 -11.774 0.833 108 HG2 GLU 14 2HG GLU 14 1.871 -12.013 -1.644 109 HG3 GLU 14 3HG GLU 14 3.189 -12.710 -0.716 110 H SER 15 H SER 15 2.292 -9.286 -2.304 111 HA SER 15 HA SER 15 5.179 -8.766 -1.937 112 HB2 SER 15 2HB SER 15 5.576 -10.111 -4.116 113 HB3 SER 15 3HB SER 15 5.406 -10.952 -2.593 114 HG SER 15 HG SER 15 3.969 -11.997 -3.948 115 HA PRO 16 HA PRO 16 4.809 -5.346 -4.607 116 HB2 PRO 16 2HB PRO 16 7.257 -6.287 -6.073 117 HB3 PRO 16 3HB PRO 16 6.928 -4.701 -5.325 118 HG2 PRO 16 2HG PRO 16 8.545 -6.561 -4.130 119 HG3 PRO 16 3HG PRO 16 7.451 -5.509 -3.177 120 HD2 PRO 16 2HD PRO 16 7.079 -8.428 -3.879 121 HD3 PRO 16 3HD PRO 16 6.648 -7.504 -2.425 122 H ASN 17 H ASN 17 3.947 -4.682 -6.462 123 HA ASN 17 HA ASN 17 3.595 -6.486 -8.809 124 HB2 ASN 17 2HB ASN 17 1.596 -5.289 -8.106 125 HB3 ASN 17 3HB ASN 17 2.443 -3.758 -8.114 126 HD21 ASN 17 1HD2 ASN 17 0.387 -3.402 -9.567 127 HD22 ASN 17 2HD2 ASN 17 0.619 -3.739 -11.282 128 H GLY 18 H GLY 18 5.975 -6.554 -8.938 129 HA2 GLY 18 2HA GLY 18 7.992 -5.977 -9.898 130 HA3 GLY 18 3HA GLY 18 7.101 -4.853 -10.929 131 H ALA 19 H ALA 19 7.592 -2.781 -10.692 132 HA ALA 19 HA ALA 19 9.325 -1.781 -8.660 133 HB1 ALA 19 1HB ALA 19 8.921 0.391 -9.732 134 HB2 ALA 19 2HB ALA 19 9.218 -0.876 -10.935 135 HB3 ALA 19 3HB ALA 19 7.560 -0.303 -10.639 136 H LYS 20 H LYS 20 5.806 -1.982 -8.830 137 HA LYS 20 HA LYS 20 5.391 0.136 -6.821 138 HB2 LYS 20 2HB LYS 20 3.317 -1.666 -8.125 139 HB3 LYS 20 3HB LYS 20 3.032 -0.287 -7.082 140 HG2 LYS 20 2HG LYS 20 2.655 0.721 -9.050 141 HG3 LYS 20 3HG LYS 20 4.386 1.057 -8.925 142 HD2 LYS 20 2HD LYS 20 4.883 -0.787 -10.477 143 HD3 LYS 20 3HD LYS 20 3.185 -1.323 -10.428 144 HE2 LYS 20 2HE LYS 20 2.451 0.798 -11.423 145 HE3 LYS 20 3HE LYS 20 4.116 1.394 -11.440 146 HZ1 LYS 20 1HZ LYS 20 4.693 -0.282 -13.032 147 HZ2 LYS 20 2HZ LYS 20 3.225 -1.033 -12.923 148 HZ3 LYS 20 3HZ LYS 20 3.334 0.462 -13.579 149 H ARG 21 H ARG 21 5.533 -0.199 -4.790 150 HA ARG 21 HA ARG 21 3.901 -2.231 -3.474 151 HB2 ARG 21 2HB ARG 21 5.548 -3.557 -2.721 152 HB3 ARG 21 3HB ARG 21 6.693 -2.719 -3.749 153 HG2 ARG 21 2HG ARG 21 7.100 -1.076 -1.899 154 HG3 ARG 21 3HG ARG 21 6.027 -2.049 -0.867 155 HD2 ARG 21 2HD ARG 21 7.615 -4.008 -1.383 156 HD3 ARG 21 3HD ARG 21 8.686 -2.795 -2.106 157 HE ARG 21 HE ARG 21 7.733 -2.444 0.701 158 HH11 ARG 21 1HH1 ARG 21 10.461 -3.408 -1.289 159 HH12 ARG 21 2HH1 ARG 21 11.614 -2.809 -0.121 160 HH21 ARG 21 1HH2 ARG 21 9.311 -1.798 2.197 161 HH22 ARG 21 2HH2 ARG 21 10.941 -2.313 1.936 162 H CYS 22 H CYS 22 3.503 -1.486 -1.153 163 HA CYS 22 HA CYS 22 3.164 1.295 -0.857 164 HB2 CYS 22 2HB CYS 22 3.411 -0.939 1.210 165 HB3 CYS 22 3HB CYS 22 2.816 0.697 1.524 166 H GLY 23 H GLY 23 5.857 -0.620 0.610 167 HA2 GLY 23 2HA GLY 23 7.530 1.512 1.370 168 HA3 GLY 23 3HA GLY 23 8.048 -0.118 1.006 169 H THR 24 H THR 24 6.643 1.362 -1.778 170 HA THR 24 HA THR 24 9.081 2.896 -2.499 171 HB THR 24 HB THR 24 8.985 2.220 -4.837 172 HG1 THR 24 HG1 THR 24 7.768 0.455 -5.459 173 HG21 THR 24 1HG2 THR 24 9.973 0.024 -4.656 174 HG22 THR 24 2HG2 THR 24 10.488 0.987 -3.267 175 HG23 THR 24 3HG2 THR 24 9.228 -0.251 -3.071 176 H CYS 25 H CYS 25 5.624 2.384 -2.834 177 HA CYS 25 HA CYS 25 4.693 4.330 -4.486 178 HB2 CYS 25 2HB CYS 25 3.279 2.717 -3.304 179 HB3 CYS 25 3HB CYS 25 3.683 3.452 -1.748 180 H ARG 26 H ARG 26 4.101 6.406 -4.452 181 HA ARG 26 HA ARG 26 5.628 8.216 -2.743 182 HB2 ARG 26 2HB ARG 26 5.464 8.311 -5.262 183 HB3 ARG 26 3HB ARG 26 3.806 8.893 -5.083 184 HG2 ARG 26 2HG ARG 26 4.595 10.918 -3.977 185 HG3 ARG 26 3HG ARG 26 6.249 10.269 -3.878 186 HD2 ARG 26 2HD ARG 26 6.403 10.298 -6.335 187 HD3 ARG 26 3HD ARG 26 4.719 10.838 -6.442 188 HE ARG 26 HE ARG 26 6.671 12.502 -4.918 189 HH11 ARG 26 1HH1 ARG 26 4.590 12.247 -7.778 190 HH12 ARG 26 2HH1 ARG 26 4.978 13.873 -8.269 191 HH21 ARG 26 1HH2 ARG 26 6.895 14.636 -5.548 192 HH22 ARG 26 2HH2 ARG 26 6.098 15.226 -6.980 193 H GLN 27 H GLN 27 2.796 6.733 -2.144 194 HA GLN 27 HA GLN 27 1.640 9.033 -0.614 195 HB2 GLN 27 2HB GLN 27 0.133 6.832 -2.076 196 HB3 GLN 27 3HB GLN 27 -0.594 8.077 -1.051 197 HG2 GLN 27 2HG GLN 27 0.249 9.846 -2.559 198 HG3 GLN 27 3HG GLN 27 0.927 8.612 -3.627 199 HE21 GLN 27 1HE2 GLN 27 -0.775 6.884 -4.433 200 HE22 GLN 27 2HE2 GLN 27 -2.238 7.655 -5.007 201 H PHE 28 H PHE 28 3.418 6.498 0.023 202 HA PHE 28 HA PHE 28 1.781 4.993 1.899 203 HB2 PHE 28 2HB PHE 28 3.552 3.995 0.544 204 HB3 PHE 28 3HB PHE 28 4.751 5.030 1.299 205 HD1 PHE 28 HD1 PHE 28 1.982 2.931 2.824 206 HD2 PHE 28 HD2 PHE 28 6.219 3.611 2.436 207 HE1 PHE 28 HE1 PHE 28 2.430 1.112 4.455 208 HE2 PHE 28 HE2 PHE 28 6.660 1.791 4.070 209 HZ PHE 28 HZ PHE 28 4.755 0.541 5.076 210 H ARG 29 H ARG 29 3.765 7.835 2.194 211 HA ARG 29 HA ARG 29 4.859 8.853 3.924 212 HB2 ARG 29 2HB ARG 29 2.422 9.473 4.101 213 HB3 ARG 29 3HB ARG 29 2.252 8.257 5.362 214 HG2 ARG 29 2HG ARG 29 2.468 10.433 6.365 215 HG3 ARG 29 3HG ARG 29 3.900 9.493 6.765 216 HD2 ARG 29 2HD ARG 29 5.183 10.673 5.002 217 HD3 ARG 29 3HD ARG 29 3.732 11.609 4.575 218 HE ARG 29 HE ARG 29 4.027 12.014 7.296 219 HH11 ARG 29 1HH1 ARG 29 6.136 12.710 4.596 220 HH12 ARG 29 2HH1 ARG 29 7.078 13.859 5.534 221 HH21 ARG 29 1HH2 ARG 29 5.077 13.426 8.340 222 HH22 ARG 29 2HH2 ARG 29 6.401 14.354 7.628 223 HA PRO 30 HA PRO 30 5.934 4.615 5.569 224 HB2 PRO 30 2HB PRO 30 8.722 4.918 5.431 225 HB3 PRO 30 3HB PRO 30 7.680 4.237 4.160 226 HG2 PRO 30 2HG PRO 30 8.682 7.077 4.444 227 HG3 PRO 30 3HG PRO 30 8.641 6.050 2.974 228 HD2 PRO 30 2HD PRO 30 6.736 7.897 3.385 229 HD3 PRO 30 3HD PRO 30 6.270 6.281 2.782 230 HA PRO 31 HA PRO 31 7.584 3.288 6.861 231 HB2 PRO 31 2HB PRO 31 7.607 1.914 9.148 232 HB3 PRO 31 3HB PRO 31 8.788 3.222 8.852 233 HG2 PRO 31 2HG PRO 31 6.155 3.424 10.376 234 HG3 PRO 31 3HG PRO 31 7.793 3.909 10.927 235 HD2 PRO 31 2HD PRO 31 6.077 5.700 9.793 236 HD3 PRO 31 3HD PRO 31 7.831 5.780 9.564 237 H SER 32 H SER 32 4.426 4.173 8.021 238 HA SER 32 HA SER 32 3.324 1.639 6.919 239 HB2 SER 32 2HB SER 32 2.130 1.101 9.008 240 HB3 SER 32 3HB SER 32 3.879 1.047 9.187 241 HG SER 32 HG SER 32 2.948 2.076 10.932 242 H SER 33 H SER 33 2.727 4.933 6.814 243 HA SER 33 HA SER 33 -0.194 4.622 7.384 244 HB2 SER 33 2HB SER 33 1.474 7.127 7.520 245 HB3 SER 33 3HB SER 33 -0.250 6.903 7.903 246 HG SER 33 HG SER 33 0.954 6.900 9.749 247 H CYS 34 H CYS 34 -0.422 3.866 5.137 248 HA CYS 34 HA CYS 34 -0.142 5.488 2.817 249 HB2 CYS 34 2HB CYS 34 -0.684 3.133 2.562 250 HB3 CYS 34 3HB CYS 34 -2.225 3.341 3.432 251 H ILE 35 H ILE 35 -1.192 7.145 1.930 252 HA ILE 35 HA ILE 35 -3.006 8.719 3.505 253 HB ILE 35 HB ILE 35 -2.037 8.864 0.637 254 HG12 ILE 35 2HG1 ILE 35 -1.453 10.588 3.094 255 HG13 ILE 35 3HG1 ILE 35 -0.441 9.242 2.577 256 HG21 ILE 35 1HG2 ILE 35 -3.757 10.941 2.061 257 HG22 ILE 35 2HG2 ILE 35 -2.942 11.165 0.499 258 HG23 ILE 35 3HG2 ILE 35 -4.228 9.988 0.633 259 HD11 ILE 35 1HD1 ILE 35 -0.879 11.845 1.084 260 HD12 ILE 35 2HD1 ILE 35 0.612 11.214 1.797 261 HD13 ILE 35 3HD1 ILE 35 -0.090 10.414 0.375 262 H THR 36 H THR 36 -3.626 6.236 1.107 263 HA THR 36 HA THR 36 -6.506 7.016 0.964 264 HB THR 36 HB THR 36 -5.113 5.108 -0.913 265 HG1 THR 36 HG1 THR 36 -4.037 6.910 -1.161 266 HG21 THR 36 1HG2 THR 36 -7.669 6.776 -1.066 267 HG22 THR 36 2HG2 THR 36 -6.943 5.926 -2.445 268 HG23 THR 36 3HG2 THR 36 -7.535 5.009 -1.055 269 H VAL 37 H VAL 37 -4.467 4.167 1.775 270 HA VAL 37 HA VAL 37 -6.948 2.589 2.216 271 HB VAL 37 HB VAL 37 -4.059 1.657 2.258 272 HG11 VAL 37 1HG1 VAL 37 -6.700 0.121 2.136 273 HG12 VAL 37 2HG1 VAL 37 -5.084 -0.595 1.927 274 HG13 VAL 37 3HG1 VAL 37 -5.528 0.107 3.478 275 HG21 VAL 37 1HG2 VAL 37 -4.588 2.432 0.010 276 HG22 VAL 37 2HG2 VAL 37 -4.632 0.675 0.026 277 HG23 VAL 37 3HG2 VAL 37 -6.158 1.592 0.041 278 H GLU 38 H GLU 38 -7.586 1.744 4.174 279 HA GLU 38 HA GLU 38 -6.938 3.109 6.547 280 HB2 GLU 38 2HB GLU 38 -8.195 1.425 7.732 281 HB3 GLU 38 3HB GLU 38 -9.035 1.965 6.291 282 HG2 GLU 38 2HG GLU 38 -8.505 -0.110 5.149 283 HG3 GLU 38 3HG GLU 38 -7.536 -0.649 6.509 284 H SER 39 H SER 39 -5.367 3.082 8.006 285 HA SER 39 HA SER 39 -3.316 0.951 7.889 286 HB2 SER 39 2HB SER 39 -1.607 2.718 7.650 287 HB3 SER 39 3HB SER 39 -2.746 2.694 6.315 288 HG SER 39 HG SER 39 -2.608 4.547 8.479 289 HA PRO 40 HA PRO 40 -0.607 1.823 9.206 290 HB2 PRO 40 2HB PRO 40 0.424 -0.197 10.749 291 HB3 PRO 40 3HB PRO 40 0.404 1.537 11.192 292 HG2 PRO 40 2HG PRO 40 -1.609 -0.598 11.981 293 HG3 PRO 40 3HG PRO 40 -0.752 0.569 13.045 294 HD2 PRO 40 2HD PRO 40 -3.239 1.118 12.197 295 HD3 PRO 40 3HD PRO 40 -2.003 2.409 12.177 296 H ILE 41 H ILE 41 0.062 0.644 7.523 297 HA ILE 41 HA ILE 41 -1.224 -1.976 6.934 298 HB ILE 41 HB ILE 41 -2.197 0.057 5.761 299 HG12 ILE 41 2HG1 ILE 41 -2.482 -0.941 3.589 300 HG13 ILE 41 3HG1 ILE 41 -1.147 -2.051 3.848 301 HG21 ILE 41 1HG2 ILE 41 -0.060 1.233 5.271 302 HG22 ILE 41 2HG2 ILE 41 0.359 -0.045 4.108 303 HG23 ILE 41 3HG2 ILE 41 -1.053 0.982 3.829 304 HD11 ILE 41 1HD1 ILE 41 -2.424 -3.228 5.591 305 HD12 ILE 41 2HD1 ILE 41 -3.690 -1.974 5.548 306 HD13 ILE 41 3HD1 ILE 41 -3.445 -3.045 4.157 307 H SER 42 H SER 42 -0.069 -3.251 5.261 308 HA SER 42 HA SER 42 2.508 -3.968 6.129 309 HB2 SER 42 2HB SER 42 1.205 -5.605 5.029 310 HB3 SER 42 3HB SER 42 0.905 -4.564 3.628 311 HG SER 42 HG SER 42 2.672 -6.397 3.713 312 H GLU 43 H GLU 43 4.630 -3.758 5.302 313 HA GLU 43 HA GLU 43 5.167 -1.331 3.801 314 HB2 GLU 43 2HB GLU 43 7.427 -1.836 4.053 315 HB3 GLU 43 3HB GLU 43 6.655 -2.124 5.605 316 HG2 GLU 43 2HG GLU 43 6.769 -4.557 5.249 317 HG3 GLU 43 3HG GLU 43 7.383 -4.298 3.638 318 H ASN 44 H ASN 44 4.378 -4.536 2.778 319 HA ASN 44 HA ASN 44 5.607 -4.153 0.112 320 HB2 ASN 44 2HB ASN 44 4.775 -6.435 1.858 321 HB3 ASN 44 3HB ASN 44 4.322 -6.606 0.192 322 HD21 ASN 44 1HD2 ASN 44 5.651 -8.498 0.512 323 HD22 ASN 44 2HD2 ASN 44 7.343 -8.279 0.154 324 H GLY 45 H GLY 45 2.443 -4.945 1.582 325 HA2 GLY 45 2HA GLY 45 0.274 -4.594 0.885 326 HA3 GLY 45 3HA GLY 45 0.881 -2.951 0.818 327 H TRP 46 H TRP 46 0.940 -1.940 -1.069 328 HA TRP 46 HA TRP 46 0.220 -1.190 -2.976 329 HB2 TRP 46 2HB TRP 46 1.767 -2.784 -4.078 330 HB3 TRP 46 3HB TRP 46 0.416 -3.898 -4.284 331 HD1 TRP 46 HD1 TRP 46 1.154 -0.178 -5.087 332 HE1 TRP 46 HE1 TRP 46 0.144 0.449 -7.358 333 HE3 TRP 46 HE3 TRP 46 -1.075 -4.641 -6.277 334 HZ2 TRP 46 HZ2 TRP 46 -1.208 -0.856 -9.512 335 HZ3 TRP 46 HZ3 TRP 46 -2.354 -4.854 -8.401 336 HH2 TRP 46 HH2 TRP 46 -2.407 -2.990 -10.036 337 H CYS 47 H CYS 47 -1.648 -0.431 -3.383 338 HA CYS 47 HA CYS 47 -4.151 -1.900 -2.951 339 HB2 CYS 47 2HB CYS 47 -5.024 0.467 -3.425 340 HB3 CYS 47 3HB CYS 47 -3.862 0.378 -2.083 341 H ARG 48 H ARG 48 -4.474 0.309 -5.386 342 HA ARG 48 HA ARG 48 -3.392 -1.282 -7.586 343 HB2 ARG 48 2HB ARG 48 -6.340 -0.513 -7.598 344 HB3 ARG 48 3HB ARG 48 -5.425 -0.927 -9.038 345 HG2 ARG 48 2HG ARG 48 -6.228 -2.986 -8.676 346 HG3 ARG 48 3HG ARG 48 -4.798 -3.129 -7.681 347 HD2 ARG 48 2HD ARG 48 -6.218 -2.501 -5.675 348 HD3 ARG 48 3HD ARG 48 -7.622 -2.462 -6.722 349 HE ARG 48 HE ARG 48 -5.936 -4.871 -6.099 350 HH11 ARG 48 1HH1 ARG 48 -9.143 -3.688 -7.011 351 HH12 ARG 48 2HH1 ARG 48 -9.905 -5.164 -6.450 352 HH21 ARG 48 1HH2 ARG 48 -6.987 -6.885 -6.037 353 HH22 ARG 48 2HH2 ARG 48 -8.719 -6.914 -6.224 354 H LEU 49 H LEU 49 -3.049 1.431 -6.093 355 HA LEU 49 HA LEU 49 -3.386 3.397 -8.266 356 HB2 LEU 49 2HB LEU 49 -2.267 3.658 -5.453 357 HB3 LEU 49 3HB LEU 49 -2.560 4.993 -6.558 358 HG LEU 49 HG LEU 49 -4.723 3.173 -5.401 359 HD11 LEU 49 1HD1 LEU 49 -3.975 6.062 -4.797 360 HD12 LEU 49 2HD1 LEU 49 -5.378 5.193 -4.143 361 HD13 LEU 49 3HD1 LEU 49 -3.741 4.662 -3.724 362 HD21 LEU 49 1HD2 LEU 49 -5.437 4.006 -7.582 363 HD22 LEU 49 2HD2 LEU 49 -6.287 4.885 -6.313 364 HD23 LEU 49 3HD2 LEU 49 -4.926 5.657 -7.158 365 H TYR 50 H TYR 50 -1.592 4.937 -8.752 366 HA TYR 50 HA TYR 50 1.132 3.826 -8.693 367 HB2 TYR 50 2HB TYR 50 1.340 3.977 -11.194 368 HB3 TYR 50 3HB TYR 50 0.449 2.631 -10.547 369 HD1 TYR 50 HD1 TYR 50 0.144 5.751 -12.527 370 HD2 TYR 50 HD2 TYR 50 -1.915 2.297 -10.968 371 HE1 TYR 50 HE1 TYR 50 -1.755 6.189 -14.065 372 HE2 TYR 50 HE2 TYR 50 -3.786 2.700 -12.550 373 HH TYR 50 HH TYR 50 -4.511 3.920 -14.338 374 H ALA 51 H ALA 51 0.869 5.858 -7.240 375 HA ALA 51 HA ALA 51 1.145 8.416 -8.629 376 HB1 ALA 51 1HB ALA 51 1.608 7.563 -5.749 377 HB2 ALA 51 2HB ALA 51 1.668 9.235 -6.343 378 HB3 ALA 51 3HB ALA 51 0.149 8.323 -6.437 379 H GLY 52 H GLY 52 2.895 8.900 -9.803 380 HA2 GLY 52 2HA GLY 52 5.042 9.452 -10.331 381 HA3 GLY 52 3HA GLY 52 5.566 8.954 -8.724 382 H LYS 53 H LYS 53 5.214 6.491 -8.484 383 HA LYS 53 HA LYS 53 7.170 5.070 -10.121 384 HB2 LYS 53 2HB LYS 53 5.452 4.467 -7.682 385 HB3 LYS 53 3HB LYS 53 6.427 3.219 -8.440 386 HG2 LYS 53 2HG LYS 53 7.413 4.300 -6.410 387 HG3 LYS 53 3HG LYS 53 8.450 4.216 -7.842 388 HD2 LYS 53 2HD LYS 53 8.219 6.599 -8.226 389 HD3 LYS 53 3HD LYS 53 6.949 6.707 -6.993 390 HE2 LYS 53 2HE LYS 53 8.986 7.568 -6.042 391 HE3 LYS 53 3HE LYS 53 8.547 6.059 -5.248 392 HZ1 LYS 53 1HZ LYS 53 10.723 6.415 -7.237 393 HZ2 LYS 53 2HZ LYS 53 10.865 6.058 -5.653 394 HZ3 LYS 53 3HZ LYS 53 10.242 4.944 -6.677 395 H ALA 54 H ALA 54 6.252 4.994 -12.160 396 HA ALA 54 HA ALA 54 4.034 3.084 -12.656 397 HB1 ALA 54 1HB ALA 54 2.787 4.801 -13.920 398 HB2 ALA 54 2HB ALA 54 2.993 5.293 -12.229 399 HB3 ALA 54 3HB ALA 54 4.010 6.016 -13.484
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