NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
8257 | 1lv9 | 5383 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H VAL 7 H VAL 7 17.656 3.453 -4.371 2 HA VAL 7 HA VAL 7 16.015 1.351 -5.578 3 HB VAL 7 HB VAL 7 15.321 0.753 -3.146 4 1HG1 VAL 7 1HG1 VAL 7 17.946 -0.145 -4.329 5 2HG1 VAL 7 2HG1 VAL 7 16.352 -0.816 -4.677 6 3HG1 VAL 7 3HG1 VAL 7 17.052 -0.996 -3.068 7 1HG2 VAL 7 1HG2 VAL 7 17.306 2.639 -2.597 8 2HG2 VAL 7 2HG2 VAL 7 18.027 1.076 -2.213 9 3HG2 VAL 7 3HG2 VAL 7 16.512 1.559 -1.450 10 H ARG 8 H ARG 8 14.474 2.690 -6.356 11 HA ARG 8 HA ARG 8 12.619 3.816 -4.480 12 1HB ARG 8 1HB ARG 8 14.634 5.512 -5.561 13 2HB ARG 8 2HB ARG 8 13.107 5.956 -6.310 14 1HG ARG 8 2HG ARG 8 12.250 6.783 -4.398 15 2HG ARG 8 1HG ARG 8 13.041 5.568 -3.390 16 1HD ARG 8 1HD ARG 8 14.470 7.878 -4.696 17 2HD ARG 8 2HD ARG 8 13.868 7.896 -3.039 18 1HH1 ARG 8 1HH1 ARG 8 13.752 6.491 -1.559 19 2HH1 ARG 8 2HH1 ARG 8 14.738 5.641 -0.417 20 1HH2 ARG 8 2HH2 ARG 8 17.535 5.486 -2.509 21 2HH2 ARG 8 1HH2 ARG 8 16.889 5.070 -0.957 22 H CYS 9 H CYS 9 10.588 3.927 -5.333 23 HA CYS 9 HA CYS 9 10.275 2.824 -8.010 24 1HB CYS 9 1HB CYS 9 7.725 3.146 -7.253 25 2HB CYS 9 2HB CYS 9 8.664 1.729 -6.851 26 H THR 10 H THR 10 8.110 3.797 -9.091 27 HA THR 10 HA THR 10 8.566 6.701 -9.268 28 HB THR 10 HB THR 10 7.971 6.488 -11.678 29 HG1 THR 10 HG1 THR 10 6.949 4.324 -11.231 30 1HG2 THR 10 1HG2 THR 10 10.046 5.744 -12.455 31 2HG2 THR 10 2HG2 THR 10 10.262 4.657 -11.082 32 3HG2 THR 10 3HG2 THR 10 10.359 6.403 -10.849 33 H CYS 11 H CYS 11 6.777 6.392 -7.524 34 HA CYS 11 HA CYS 11 4.185 6.605 -8.906 35 1HB CYS 11 2HB CYS 11 4.814 5.323 -6.248 36 2HB CYS 11 1HB CYS 11 3.183 5.826 -6.687 37 H ILE 12 H ILE 12 3.948 8.760 -9.030 38 HA ILE 12 HA ILE 12 4.918 10.741 -7.435 39 HB ILE 12 HB ILE 12 2.182 10.763 -8.709 40 1HG1 ILE 12 2HG1 ILE 12 4.921 11.433 -9.807 41 2HG1 ILE 12 1HG1 ILE 12 3.828 10.172 -10.370 42 1HG2 ILE 12 1HG2 ILE 12 1.990 12.843 -7.970 43 2HG2 ILE 12 2HG2 ILE 12 3.502 13.281 -8.766 44 3HG2 ILE 12 3HG2 ILE 12 3.521 12.675 -7.110 45 1HD1 ILE 12 1HD1 ILE 12 2.862 11.574 -11.774 46 2HD1 ILE 12 2HD1 ILE 12 4.060 12.787 -11.321 47 3HD1 ILE 12 3HD1 ILE 12 2.515 12.712 -10.473 48 H SER 13 H SER 13 1.551 9.582 -7.128 49 HA SER 13 HA SER 13 1.686 10.305 -4.277 50 1HB SER 13 2HB SER 13 -0.638 10.338 -6.208 51 2HB SER 13 1HB SER 13 -0.840 10.479 -4.462 52 HG SER 13 HG SER 13 0.324 12.376 -4.496 53 H ILE 14 H ILE 14 1.763 8.628 -2.951 54 HA ILE 14 HA ILE 14 0.861 6.009 -3.850 55 HB ILE 14 HB ILE 14 1.851 5.169 -1.754 56 1HG1 ILE 14 2HG1 ILE 14 2.805 8.004 -1.313 57 2HG1 ILE 14 1HG1 ILE 14 1.428 7.303 -0.468 58 1HG2 ILE 14 1HG2 ILE 14 3.373 6.702 -3.775 59 2HG2 ILE 14 2HG2 ILE 14 3.438 4.989 -3.360 60 3HG2 ILE 14 3HG2 ILE 14 4.253 6.175 -2.341 61 1HD1 ILE 14 1HD1 ILE 14 4.183 6.114 -0.385 62 2HD1 ILE 14 2HD1 ILE 14 2.799 5.724 0.636 63 3HD1 ILE 14 3HD1 ILE 14 3.592 7.292 0.787 64 H SER 15 H SER 15 -0.472 4.658 -2.421 65 HA SER 15 HA SER 15 -2.438 6.283 -0.947 66 1HB SER 15 2HB SER 15 -3.369 5.385 -3.031 67 2HB SER 15 1HB SER 15 -2.921 3.751 -2.538 68 HG SER 15 HG SER 15 -4.460 3.775 -1.002 69 H ASN 16 H ASN 16 -1.353 5.971 1.033 70 HA ASN 16 HA ASN 16 -1.680 3.260 2.140 71 1HB ASN 16 1HB ASN 16 0.190 3.900 3.733 72 2HB ASN 16 2HB ASN 16 0.667 3.629 2.061 73 1HD2 ASN 16 1HD2 ASN 16 1.794 5.263 4.309 74 2HD2 ASN 16 2HD2 ASN 16 2.015 6.837 3.632 75 H GLN 17 H GLN 17 -3.437 5.689 2.037 76 HA GLN 17 HA GLN 17 -3.729 6.194 4.918 77 1HB GLN 17 2HB GLN 17 -4.375 8.326 4.464 78 2HB GLN 17 1HB GLN 17 -3.413 8.045 3.027 79 1HG GLN 17 1HG GLN 17 -5.388 7.576 1.734 80 2HG GLN 17 2HG GLN 17 -6.400 7.739 3.169 81 1HE2 GLN 17 1HE2 GLN 17 -4.529 9.400 0.771 82 2HE2 GLN 17 2HE2 GLN 17 -5.089 10.993 1.139 83 HA PRO 18 HA PRO 18 -7.746 4.570 5.645 84 1HB PRO 18 2HB PRO 18 -9.013 7.091 4.629 85 2HB PRO 18 1HB PRO 18 -9.453 6.105 6.030 86 1HG PRO 18 1HG PRO 18 -8.004 8.318 6.338 87 2HG PRO 18 2HG PRO 18 -7.664 6.868 7.296 88 1HD PRO 18 2HD PRO 18 -6.142 8.066 5.071 89 2HD PRO 18 1HD PRO 18 -5.571 7.032 6.391 90 H VAL 19 H VAL 19 -7.352 6.178 2.534 91 HA VAL 19 HA VAL 19 -9.460 4.627 1.321 92 HB VAL 19 HB VAL 19 -8.493 5.636 -0.837 93 1HG1 VAL 19 1HG2 VAL 19 -9.451 7.949 -0.097 94 2HG1 VAL 19 2HG2 VAL 19 -9.858 7.084 1.386 95 3HG1 VAL 19 3HG2 VAL 19 -10.503 6.533 -0.162 96 1HG2 VAL 19 1HG1 VAL 19 -6.838 7.173 -0.766 97 2HG2 VAL 19 2HG1 VAL 19 -6.378 6.277 0.684 98 3HG2 VAL 19 3HG1 VAL 19 -7.311 7.767 0.827 99 H ASN 20 H ASN 20 -8.041 2.747 2.329 100 HA ASN 20 HA ASN 20 -5.908 1.774 0.696 101 1HB ASN 20 2HB ASN 20 -7.667 0.249 2.632 102 2HB ASN 20 1HB ASN 20 -6.099 -0.251 2.033 103 1HD2 ASN 20 1HD2 ASN 20 -4.528 1.852 2.252 104 2HD2 ASN 20 2HD2 ASN 20 -4.405 2.388 3.890 105 HA PRO 21 HA PRO 21 -7.519 -0.301 -2.745 106 1HB PRO 21 1HB PRO 21 -7.215 -2.929 -1.368 107 2HB PRO 21 2HB PRO 21 -6.761 -2.446 -3.021 108 1HG PRO 21 2HG PRO 21 -4.982 -2.531 -0.956 109 2HG PRO 21 1HG PRO 21 -4.847 -1.415 -2.311 110 1HD PRO 21 2HD PRO 21 -5.417 -0.866 0.470 111 2HD PRO 21 1HD PRO 21 -4.980 0.255 -0.825 112 H ARG 22 H ARG 22 -9.136 -0.981 0.316 113 HA ARG 22 HA ARG 22 -11.382 -2.401 -0.383 114 1HB ARG 22 2HB ARG 22 -10.942 -1.265 1.834 115 2HB ARG 22 1HB ARG 22 -11.486 0.236 1.096 116 1HG ARG 22 2HG ARG 22 -13.509 -0.317 1.831 117 2HG ARG 22 1HG ARG 22 -13.534 -1.502 0.523 118 1HD ARG 22 1HD ARG 22 -12.410 -2.094 3.250 119 2HD ARG 22 2HD ARG 22 -14.100 -2.373 2.828 120 1HH1 ARG 22 1HH1 ARG 22 -14.920 -2.839 0.898 121 2HH1 ARG 22 2HH1 ARG 22 -15.169 -4.206 -0.136 122 1HH2 ARG 22 2HH2 ARG 22 -12.210 -5.818 0.800 123 2HH2 ARG 22 1HH2 ARG 22 -13.628 -5.900 -0.192 124 H SER 23 H SER 23 -10.388 0.785 -1.288 125 HA SER 23 HA SER 23 -12.553 1.054 -3.247 126 1HB SER 23 1HB SER 23 -11.839 3.340 -3.519 127 2HB SER 23 2HB SER 23 -11.895 3.053 -1.781 128 HG SER 23 HG SER 23 -9.849 3.474 -1.709 129 H LEU 24 H LEU 24 -11.878 -0.530 -4.701 130 HA LEU 24 HA LEU 24 -9.306 -0.058 -6.074 131 1HB LEU 24 2HB LEU 24 -8.635 -1.706 -4.510 132 2HB LEU 24 1HB LEU 24 -10.075 -2.666 -4.789 133 HG LEU 24 HG LEU 24 -8.563 -2.331 -7.236 134 1HD1 LEU 24 1HD2 LEU 24 -7.066 -3.952 -5.227 135 2HD1 LEU 24 2HD2 LEU 24 -6.789 -2.212 -5.304 136 3HD1 LEU 24 3HD2 LEU 24 -6.502 -3.214 -6.727 137 1HD2 LEU 24 1HD1 LEU 24 -8.530 -4.945 -6.777 138 2HD2 LEU 24 2HD1 LEU 24 -9.977 -4.102 -7.332 139 3HD2 LEU 24 3HD1 LEU 24 -9.784 -4.492 -5.623 140 H GLU 25 H GLU 25 -9.348 -0.555 -8.253 141 HA GLU 25 HA GLU 25 -11.683 -1.993 -9.286 142 1HB GLU 25 1HB GLU 25 -11.992 0.664 -9.090 143 2HB GLU 25 2HB GLU 25 -11.171 0.607 -10.643 144 1HG GLU 25 2HG GLU 25 -12.873 -0.711 -11.607 145 2HG GLU 25 1HG GLU 25 -13.611 -1.033 -10.039 146 H LYS 26 H LYS 26 -9.331 0.218 -10.756 147 HA LYS 26 HA LYS 26 -8.569 -1.953 -12.581 148 1HB LYS 26 2HB LYS 26 -7.881 0.916 -13.092 149 2HB LYS 26 1HB LYS 26 -8.156 -0.383 -14.243 150 1HG LYS 26 1HG LYS 26 -10.570 -0.325 -13.641 151 2HG LYS 26 2HG LYS 26 -10.241 1.096 -12.645 152 1HD LYS 26 2HD LYS 26 -9.913 0.819 -15.633 153 2HD LYS 26 1HD LYS 26 -11.057 1.847 -14.768 154 1HE LYS 26 1HE LYS 26 -9.151 3.107 -13.826 155 2HE LYS 26 2HE LYS 26 -8.055 2.125 -14.796 156 1HZ LYS 26 1HZ LYS 26 -8.457 4.164 -15.919 157 2HZ LYS 26 2HZ LYS 26 -10.127 4.000 -15.773 158 1HN MLE 27 1HM LEM 27 -8.030 -3.212 -10.372 159 2HN MLE 27 2HM LEM 27 -6.504 -4.026 -10.701 160 3HN MLE 27 3HM LEM 27 -7.485 -3.428 -12.035 161 HA MLE 27 HA LEM 27 -4.855 -1.033 -10.360 162 1HB MLE 27 1HB LEM 27 -4.908 -3.319 -8.629 163 2HB MLE 27 2HB LEM 27 -6.491 -2.569 -8.658 164 HG MLE 27 HG LEM 27 -4.286 -0.682 -8.348 165 1HD1 MLE 27 1HD1 LEM 27 -6.271 0.329 -7.928 166 2HD1 MLE 27 2HD1 LEM 27 -5.921 -0.241 -6.297 167 3HD1 MLE 27 3HD1 LEM 27 -7.023 -1.149 -7.331 168 1HD2 MLE 27 1HD2 LEM 27 -3.869 -2.998 -7.038 169 2HD2 MLE 27 2HD2 LEM 27 -4.849 -2.125 -5.867 170 3HD2 MLE 27 3HD2 LEM 27 -3.345 -1.420 -6.465 171 H GLU 28 H GLU 28 -3.379 -1.402 -11.867 172 HA GLU 28 HA GLU 28 -2.741 -4.124 -12.686 173 1HB GLU 28 2HB GLU 28 -2.825 -2.554 -14.484 174 2HB GLU 28 1HB GLU 28 -1.813 -1.410 -13.618 175 1HG GLU 28 1HG GLU 28 -0.768 -2.698 -15.518 176 2HG GLU 28 2HG GLU 28 0.114 -2.667 -13.991 177 H ILE 29 H ILE 29 -1.533 -5.191 -11.221 178 HA ILE 29 HA ILE 29 0.444 -3.776 -9.653 179 HB ILE 29 HB ILE 29 0.707 -5.808 -8.396 180 1HG1 ILE 29 1HG1 ILE 29 -0.967 -7.730 -9.193 181 2HG1 ILE 29 2HG1 ILE 29 -0.632 -7.018 -10.769 182 1HG2 ILE 29 1HG2 ILE 29 -1.804 -6.276 -7.912 183 2HG2 ILE 29 2HG2 ILE 29 -2.081 -4.946 -9.040 184 3HG2 ILE 29 3HG2 ILE 29 -1.128 -4.685 -7.577 185 1HD1 ILE 29 1HD1 ILE 29 1.072 -8.639 -9.031 186 2HD1 ILE 29 2HD1 ILE 29 1.869 -7.241 -9.756 187 3HD1 ILE 29 3HD1 ILE 29 1.087 -8.443 -10.784 188 H ILE 30 H ILE 30 2.607 -4.002 -9.710 189 HA ILE 30 HA ILE 30 3.781 -5.803 -11.714 190 HB ILE 30 HB ILE 30 5.435 -3.453 -11.280 191 1HG1 ILE 30 1HG1 ILE 30 2.804 -3.008 -12.715 192 2HG1 ILE 30 2HG1 ILE 30 3.217 -2.331 -11.147 193 1HG2 ILE 30 1HG2 ILE 30 4.633 -3.805 -13.985 194 2HG2 ILE 30 2HG2 ILE 30 4.894 -5.392 -13.262 195 3HG2 ILE 30 3HG2 ILE 30 6.181 -4.186 -13.229 196 1HD1 ILE 30 1HD1 ILE 30 4.063 -1.519 -13.833 197 2HD1 ILE 30 2HD1 ILE 30 5.312 -1.473 -12.588 198 3HD1 ILE 30 3HD1 ILE 30 3.819 -0.559 -12.373 199 HA PRO 31 HA PRO 31 6.392 -6.899 -8.332 200 1HB PRO 31 2HB PRO 31 8.435 -8.084 -9.605 201 2HB PRO 31 1HB PRO 31 6.799 -8.746 -9.654 202 1HG PRO 31 1HG PRO 31 8.324 -7.320 -11.751 203 2HG PRO 31 2HG PRO 31 7.032 -8.518 -11.918 204 1HD PRO 31 1HD PRO 31 6.812 -5.683 -12.109 205 2HD PRO 31 2HD PRO 31 5.499 -6.876 -12.169 206 H ALA 32 H ALA 32 6.968 -4.805 -7.503 207 HA ALA 32 HA ALA 32 9.361 -3.520 -8.503 208 1HB ALA 32 1HB ALA 32 8.127 -2.739 -5.905 209 2HB ALA 32 2HB ALA 32 7.237 -2.424 -7.395 210 3HB ALA 32 3HB ALA 32 8.844 -1.735 -7.160 211 H SER 33 H SER 33 11.378 -3.855 -7.772 212 HA SER 33 HA SER 33 11.895 -4.725 -5.084 213 1HB SER 33 1HB SER 33 11.708 -6.684 -7.219 214 2HB SER 33 2HB SER 33 13.316 -6.678 -6.495 215 HG SER 33 HG SER 33 12.447 -7.158 -4.539 216 H GLN 34 H GLN 34 13.432 -4.775 -8.307 217 HA GLN 34 HA GLN 34 16.031 -4.334 -7.576 218 1HB GLN 34 2HB GLN 34 16.390 -3.387 -9.794 219 2HB GLN 34 1HB GLN 34 15.309 -4.771 -9.885 220 1HG GLN 34 2HG GLN 34 13.390 -3.213 -9.956 221 2HG GLN 34 1HG GLN 34 14.529 -1.868 -9.994 222 1HE2 GLN 34 2HE2 GLN 34 12.528 -2.669 -11.955 223 2HE2 GLN 34 1HE2 GLN 34 13.383 -2.937 -13.432 224 H PHE 35 H PHE 35 13.506 -1.900 -8.026 225 HA PHE 35 HA PHE 35 15.345 0.126 -6.947 226 1HB PHE 35 2HB PHE 35 12.772 0.529 -8.488 227 2HB PHE 35 1HB PHE 35 13.876 1.795 -7.964 228 HD1 PHE 35 HD1 PHE 35 16.484 0.793 -8.644 229 HD2 PHE 35 HD2 PHE 35 12.824 0.459 -10.789 230 HE1 PHE 35 HE1 PHE 35 17.742 0.584 -10.749 231 HE2 PHE 35 HE2 PHE 35 14.074 0.249 -12.898 232 HZ PHE 35 HZ PHE 35 16.537 0.311 -12.880 233 H CYS 36 H CYS 36 11.885 -0.736 -6.860 234 HA CYS 36 HA CYS 36 11.833 0.217 -4.075 235 1HB CYS 36 1HB CYS 36 10.357 1.260 -6.088 236 2HB CYS 36 2HB CYS 36 9.272 -0.014 -5.541 237 HA PRO 37 HA PRO 37 10.971 -4.185 -3.417 238 1HB PRO 37 2HB PRO 37 11.220 -4.172 -0.753 239 2HB PRO 37 1HB PRO 37 12.638 -3.980 -1.799 240 1HG PRO 37 2HG PRO 37 10.954 -1.838 -0.522 241 2HG PRO 37 1HG PRO 37 12.711 -2.062 -0.388 242 1HD PRO 37 2HD PRO 37 11.684 -0.337 -2.135 243 2HD PRO 37 1HD PRO 37 13.069 -1.356 -2.588 244 H ARG 38 H ARG 38 8.711 -3.279 -4.148 245 HA ARG 38 HA ARG 38 6.805 -4.137 -2.190 246 1HB ARG 38 1HB ARG 38 5.772 -1.603 -3.088 247 2HB ARG 38 2HB ARG 38 5.965 -2.199 -1.449 248 1HG ARG 38 2HG ARG 38 8.373 -1.131 -2.822 249 2HG ARG 38 1HG ARG 38 7.136 0.006 -2.291 250 1HD ARG 38 2HD ARG 38 7.641 -1.907 -0.221 251 2HD ARG 38 1HD ARG 38 9.158 -1.182 -0.748 252 1HH1 ARG 38 2HH1 ARG 38 9.418 -1.263 1.328 253 2HH1 ARG 38 1HH1 ARG 38 9.561 -0.212 2.697 254 1HH2 ARG 38 1HH2 ARG 38 7.328 2.178 1.461 255 2HH2 ARG 38 2HH2 ARG 38 8.372 1.745 2.772 256 H VAL 39 H VAL 39 4.499 -3.029 -3.378 257 HA VAL 39 HA VAL 39 4.544 -4.439 -5.943 258 HB VAL 39 HB VAL 39 1.979 -3.409 -4.791 259 1HG1 VAL 39 1HG2 VAL 39 2.822 -5.797 -6.425 260 2HG1 VAL 39 2HG2 VAL 39 1.843 -4.422 -6.934 261 3HG1 VAL 39 3HG2 VAL 39 1.196 -5.585 -5.777 262 1HG2 VAL 39 1HG1 VAL 39 1.718 -5.343 -3.377 263 2HG2 VAL 39 2HG1 VAL 39 3.196 -4.503 -2.906 264 3HG2 VAL 39 3HG1 VAL 39 3.288 -5.976 -3.872 265 H GLU 40 H GLU 40 4.584 -3.330 -7.785 266 HA GLU 40 HA GLU 40 4.225 -0.437 -7.715 267 1HB GLU 40 1HB GLU 40 5.366 -2.403 -9.653 268 2HB GLU 40 2HB GLU 40 4.700 -0.912 -10.305 269 1HG GLU 40 1HG GLU 40 6.561 -0.660 -8.030 270 2HG GLU 40 2HG GLU 40 7.237 -1.165 -9.578 271 H ILE 41 H ILE 41 2.353 0.546 -8.383 272 HA ILE 41 HA ILE 41 0.511 -1.029 -9.975 273 HB ILE 41 HB ILE 41 0.130 -1.693 -7.636 274 1HG1 ILE 41 2HG1 ILE 41 -2.422 -0.589 -7.935 275 2HG1 ILE 41 1HG1 ILE 41 -1.785 -0.733 -9.569 276 1HG2 ILE 41 1HG2 ILE 41 -0.059 -0.236 -5.983 277 2HG2 ILE 41 2HG2 ILE 41 -1.361 0.611 -6.818 278 3HG2 ILE 41 3HG2 ILE 41 0.318 1.042 -7.136 279 1HD1 ILE 41 1HD1 ILE 41 -3.026 -2.710 -8.929 280 2HD1 ILE 41 2HD1 ILE 41 -1.959 -2.946 -7.550 281 3HD1 ILE 41 3HD1 ILE 41 -1.325 -3.089 -9.190 282 H ILE 42 H ILE 42 -0.874 0.013 -11.151 283 HA ILE 42 HA ILE 42 -1.175 2.916 -10.790 284 HB ILE 42 HB ILE 42 -2.036 1.358 -13.223 285 1HG1 ILE 42 2HG1 ILE 42 0.468 3.038 -13.052 286 2HG1 ILE 42 1HG1 ILE 42 0.495 1.304 -12.746 287 1HG2 ILE 42 1HG2 ILE 42 -3.092 3.296 -13.579 288 2HG2 ILE 42 2HG2 ILE 42 -1.498 3.979 -13.901 289 3HG2 ILE 42 3HG2 ILE 42 -2.203 4.106 -12.286 290 1HD1 ILE 42 1HD1 ILE 42 0.606 0.894 -14.910 291 2HD1 ILE 42 2HD1 ILE 42 0.678 2.630 -15.209 292 3HD1 ILE 42 3HD1 ILE 42 -0.879 1.802 -15.195 293 H ALA 43 H ALA 43 -2.592 2.654 -9.089 294 HA ALA 43 HA ALA 43 -4.821 0.860 -9.321 295 1HB ALA 43 1HB ALA 43 -5.266 1.691 -6.969 296 2HB ALA 43 2HB ALA 43 -3.785 2.631 -7.134 297 3HB ALA 43 3HB ALA 43 -3.728 0.870 -7.237 298 H THR 44 H THR 44 -6.746 1.302 -9.960 299 HA THR 44 HA THR 44 -7.758 4.055 -9.737 300 HB THR 44 HB THR 44 -8.679 1.841 -11.585 301 HG1 THR 44 HG1 THR 44 -6.932 2.769 -12.494 302 1HG2 THR 44 1HG2 THR 44 -9.684 4.560 -12.001 303 2HG2 THR 44 2HG2 THR 44 -10.328 3.725 -10.586 304 3HG2 THR 44 3HG2 THR 44 -10.491 3.003 -12.187 305 H MET 45 H MET 45 -9.213 4.301 -8.136 306 HA MET 45 HA MET 45 -9.941 1.943 -6.669 307 1HB MET 45 2HB MET 45 -10.837 4.718 -5.965 308 2HB MET 45 1HB MET 45 -10.503 3.364 -4.899 309 1HG MET 45 1HG MET 45 -8.562 5.149 -6.303 310 2HG MET 45 2HG MET 45 -8.755 4.861 -4.575 311 1HE MET 45 1HE MET 45 -5.309 3.657 -6.312 312 2HE MET 45 2HE MET 45 -5.615 4.144 -4.645 313 3HE MET 45 3HE MET 45 -6.261 5.103 -5.977 314 H LYS 46 H LYS 46 -11.768 0.923 -6.609 315 HA LYS 46 HA LYS 46 -14.143 2.015 -7.912 316 1HB LYS 46 1HB LYS 46 -13.359 -0.454 -8.210 317 2HB LYS 46 2HB LYS 46 -13.992 -0.684 -6.590 318 1HG LYS 46 2HG LYS 46 -16.157 0.345 -7.518 319 2HG LYS 46 1HG LYS 46 -15.460 0.004 -9.104 320 1HD LYS 46 1HD LYS 46 -16.592 -1.949 -8.768 321 2HD LYS 46 2HD LYS 46 -15.056 -2.373 -8.009 322 1HE LYS 46 2HE LYS 46 -15.919 -2.313 -5.904 323 2HE LYS 46 1HE LYS 46 -17.101 -1.068 -6.307 324 1HZ LYS 46 1HZ LYS 46 -18.506 -2.639 -7.296 325 2HZ LYS 46 2HZ LYS 46 -18.021 -3.323 -5.834 326 H LYS 47 H LYS 47 -14.871 3.469 -6.571 327 HA LYS 47 HA LYS 47 -16.177 2.977 -4.181 328 1HB LYS 47 2HB LYS 47 -13.656 2.639 -3.551 329 2HB LYS 47 1HB LYS 47 -13.595 4.390 -3.588 330 1HG LYS 47 2HG LYS 47 -15.102 2.581 -1.741 331 2HG LYS 47 1HG LYS 47 -13.970 3.878 -1.357 332 1HD LYS 47 2HD LYS 47 -15.616 5.521 -2.191 333 2HD LYS 47 1HD LYS 47 -16.756 4.202 -2.467 334 1HE LYS 47 1HE LYS 47 -15.792 3.961 0.183 335 2HE LYS 47 2HE LYS 47 -16.241 5.647 -0.066 336 1HZ LYS 47 1HZ LYS 47 -18.206 3.973 -1.179 337 2HZ LYS 47 2HZ LYS 47 -17.914 3.482 0.406 338 H LYS 48 H LYS 48 -14.220 5.159 -6.079 339 HA LYS 48 HA LYS 48 -16.322 7.108 -6.172 340 1HB LYS 48 1HB LYS 48 -15.122 7.482 -3.975 341 2HB LYS 48 2HB LYS 48 -13.707 7.937 -4.918 342 1HG LYS 48 2HG LYS 48 -14.827 9.931 -4.258 343 2HG LYS 48 1HG LYS 48 -15.065 9.718 -5.994 344 1HD LYS 48 2HD LYS 48 -17.275 8.609 -5.397 345 2HD LYS 48 1HD LYS 48 -17.032 9.243 -3.768 346 1HE LYS 48 1HE LYS 48 -16.638 11.497 -5.072 347 2HE LYS 48 2HE LYS 48 -17.600 10.687 -6.309 348 1HZ LYS 48 1HZ LYS 48 -19.295 11.536 -5.158 349 2HZ LYS 48 2HZ LYS 48 -19.062 10.206 -4.150 350 H GLY 49 H GLY 49 -14.654 5.446 -7.953 351 1HA GLY 49 1HA GLY 49 -13.426 5.605 -9.896 352 2HA GLY 49 2HA GLY 49 -14.406 7.041 -10.148 353 H GLU 50 H GLU 50 -11.562 6.057 -8.221 354 HA GLU 50 HA GLU 50 -10.314 8.614 -9.016 355 1HB GLU 50 1HB GLU 50 -10.938 7.964 -6.482 356 2HB GLU 50 2HB GLU 50 -9.342 7.234 -6.577 357 1HG GLU 50 1HG GLU 50 -8.609 9.529 -7.511 358 2HG GLU 50 2HG GLU 50 -10.118 10.108 -6.809 359 H LYS 51 H LYS 51 -8.044 8.627 -9.384 360 HA LYS 51 HA LYS 51 -6.910 5.971 -9.989 361 1HB LYS 51 1HB LYS 51 -7.570 7.575 -11.937 362 2HB LYS 51 2HB LYS 51 -6.113 8.449 -11.484 363 1HG LYS 51 2HG LYS 51 -4.731 6.834 -12.266 364 2HG LYS 51 1HG LYS 51 -5.855 5.529 -11.879 365 1HD LYS 51 2HD LYS 51 -5.697 5.695 -14.263 366 2HD LYS 51 1HD LYS 51 -7.284 6.294 -13.775 367 1HE LYS 51 2HE LYS 51 -5.187 8.341 -13.899 368 2HE LYS 51 1HE LYS 51 -5.576 7.593 -15.448 369 1HZ LYS 51 1HZ LYS 51 -6.888 9.628 -14.783 370 2HZ LYS 51 2HZ LYS 51 -7.657 8.656 -13.641 371 H ARG 52 H ARG 52 -5.008 5.501 -9.082 372 HA ARG 52 HA ARG 52 -3.177 7.598 -8.259 373 1HB ARG 52 1HB ARG 52 -4.981 6.937 -6.420 374 2HB ARG 52 2HB ARG 52 -3.866 5.604 -6.152 375 1HG ARG 52 2HG ARG 52 -2.756 6.969 -4.797 376 2HG ARG 52 1HG ARG 52 -2.228 7.831 -6.243 377 1HD ARG 52 1HD ARG 52 -4.896 8.612 -5.423 378 2HD ARG 52 2HD ARG 52 -3.711 8.870 -4.143 379 1HH1 ARG 52 2HH2 ARG 52 -5.268 10.548 -4.330 380 2HH1 ARG 52 1HH2 ARG 52 -5.288 12.245 -4.678 381 1HH2 ARG 52 1HH1 ARG 52 -2.664 12.098 -6.983 382 2HH2 ARG 52 2HH1 ARG 52 -3.808 13.126 -6.186 383 H CYS 53 H CYS 53 -1.109 6.740 -7.481 384 HA CYS 53 HA CYS 53 -0.532 4.052 -8.571 385 1HB CYS 53 2HB CYS 53 0.594 5.987 -9.737 386 2HB CYS 53 1HB CYS 53 1.436 6.330 -8.229 387 H LEU 54 H LEU 54 -0.625 2.755 -6.841 388 HA LEU 54 HA LEU 54 0.380 3.685 -4.277 389 1HB LEU 54 2HB LEU 54 -0.788 0.973 -4.597 390 2HB LEU 54 1HB LEU 54 -0.956 2.119 -3.281 391 HG LEU 54 HG LEU 54 -2.433 2.055 -5.896 392 1HD1 LEU 54 1HD2 LEU 54 -4.023 1.157 -4.647 393 2HD1 LEU 54 2HD2 LEU 54 -4.052 2.610 -3.649 394 3HD1 LEU 54 3HD2 LEU 54 -2.989 1.271 -3.222 395 1HD2 LEU 54 1HD1 LEU 54 -3.439 4.225 -4.590 396 2HD2 LEU 54 2HD1 LEU 54 -2.307 4.290 -5.941 397 3HD2 LEU 54 3HD1 LEU 54 -1.709 4.385 -4.284 398 H ASN 55 H ASN 55 1.554 2.193 -2.879 399 HA ASN 55 HA ASN 55 3.274 0.255 -4.165 400 1HB ASN 55 2HB ASN 55 4.193 2.924 -3.534 401 2HB ASN 55 1HB ASN 55 5.049 1.739 -2.552 402 1HD2 ASN 55 1HD2 ASN 55 4.916 3.276 -5.507 403 2HD2 ASN 55 2HD2 ASN 55 5.999 2.256 -6.385 404 HA PRO 56 HA PRO 56 0.994 -1.051 -0.317 405 1HB PRO 56 1HB PRO 56 2.730 -3.230 -1.467 406 2HB PRO 56 2HB PRO 56 1.244 -3.411 -0.520 407 1HG PRO 56 1HG PRO 56 1.081 -3.386 -3.160 408 2HG PRO 56 2HG PRO 56 -0.088 -2.463 -2.210 409 1HD PRO 56 2HD PRO 56 2.124 -1.485 -3.908 410 2HD PRO 56 1HD PRO 56 0.662 -0.638 -3.365 411 H GLU 57 H GLU 57 2.002 0.255 1.128 412 HA GLU 57 HA GLU 57 4.151 -1.014 2.636 413 1HB GLU 57 2HB GLU 57 4.972 1.400 3.128 414 2HB GLU 57 1HB GLU 57 5.454 0.646 1.614 415 1HG GLU 57 2HG GLU 57 3.108 1.896 0.937 416 2HG GLU 57 1HG GLU 57 3.826 3.011 2.095 417 H SER 58 H SER 58 1.680 -1.440 3.311 418 HA SER 58 HA SER 58 1.217 0.017 5.743 419 1HB SER 58 2HB SER 58 -0.155 0.787 3.307 420 2HB SER 58 1HB SER 58 -1.308 0.197 4.501 421 HG SER 58 HG SER 58 0.686 2.106 5.120 422 H LYS 59 H LYS 59 -1.440 -0.695 6.192 423 HA LYS 59 HA LYS 59 -1.183 -3.560 6.557 424 1HB LYS 59 2HB LYS 59 -1.920 -2.308 8.462 425 2HB LYS 59 1HB LYS 59 -3.204 -1.559 7.529 426 1HG LYS 59 2HG LYS 59 -4.406 -3.613 7.386 427 2HG LYS 59 1HG LYS 59 -3.055 -4.509 8.085 428 1HD LYS 59 1HD LYS 59 -3.716 -4.041 10.163 429 2HD LYS 59 2HD LYS 59 -3.882 -2.323 9.794 430 1HE LYS 59 1HE LYS 59 -6.006 -3.301 10.518 431 2HE LYS 59 2HE LYS 59 -6.090 -2.717 8.857 432 1HZ LYS 59 1HZ LYS 59 -7.016 -4.730 8.567 433 2HZ LYS 59 2HZ LYS 59 -5.408 -5.197 8.385 434 H ALA 60 H ALA 60 -4.170 -1.786 5.838 435 HA ALA 60 HA ALA 60 -5.431 -3.788 4.404 436 1HB ALA 60 1HB ALA 60 -5.729 -0.840 4.529 437 2HB ALA 60 2HB ALA 60 -6.884 -2.113 4.922 438 3HB ALA 60 3HB ALA 60 -6.562 -1.703 3.237 439 H ILE 61 H ILE 61 -2.930 -1.620 3.433 440 HA ILE 61 HA ILE 61 -3.150 -1.627 0.680 441 HB ILE 61 HB ILE 61 -1.330 -0.728 2.565 442 1HG1 ILE 61 1HG1 ILE 61 -1.858 0.641 0.757 443 2HG1 ILE 61 2HG1 ILE 61 -0.161 0.260 0.512 444 1HG2 ILE 61 1HG2 ILE 61 0.088 -2.596 2.573 445 2HG2 ILE 61 2HG2 ILE 61 0.882 -1.374 1.590 446 3HG2 ILE 61 3HG2 ILE 61 0.066 -2.719 0.814 447 1HD1 ILE 61 1HD1 ILE 61 -2.482 -0.392 -1.129 448 2HD1 ILE 61 2HD1 ILE 61 -1.351 -1.725 -0.896 449 3HD1 ILE 61 3HD1 ILE 61 -0.787 -0.198 -1.575 450 H LYS 62 H LYS 62 -1.961 -4.098 2.885 451 HA LYS 62 HA LYS 62 -0.782 -5.872 1.057 452 1HB LYS 62 2HB LYS 62 -1.412 -5.896 3.786 453 2HB LYS 62 1HB LYS 62 -2.313 -7.246 3.109 454 1HG LYS 62 2HG LYS 62 0.583 -6.892 2.462 455 2HG LYS 62 1HG LYS 62 0.087 -7.626 3.988 456 1HD LYS 62 2HD LYS 62 -1.403 -9.132 2.493 457 2HD LYS 62 1HD LYS 62 -0.330 -8.611 1.192 458 1HE LYS 62 2HE LYS 62 1.450 -9.285 3.141 459 2HE LYS 62 1HE LYS 62 0.159 -10.453 3.421 460 1HZ LYS 62 1HZ LYS 62 0.377 -10.628 0.799 461 2HZ LYS 62 2HZ LYS 62 1.265 -11.589 1.861 462 H ASN 63 H ASN 63 -4.078 -5.104 1.845 463 HA ASN 63 HA ASN 63 -5.330 -7.259 0.476 464 1HB ASN 63 1HB ASN 63 -6.540 -4.524 0.863 465 2HB ASN 63 2HB ASN 63 -7.358 -6.082 0.795 466 1HD2 ASN 63 1HD2 ASN 63 -7.755 -4.213 2.823 467 2HD2 ASN 63 2HD2 ASN 63 -7.171 -4.878 4.306 468 H LEU 64 H LEU 64 -3.950 -4.205 -0.451 469 HA LEU 64 HA LEU 64 -5.081 -3.674 -2.898 470 1HB LEU 64 2HB LEU 64 -3.202 -2.317 -1.948 471 2HB LEU 64 1HB LEU 64 -2.103 -3.612 -2.349 472 HG LEU 64 HG LEU 64 -3.366 -3.122 -4.749 473 1HD1 LEU 64 1HD1 LEU 64 -2.773 -0.542 -4.841 474 2HD1 LEU 64 2HD1 LEU 64 -3.222 -0.636 -3.138 475 3HD1 LEU 64 3HD1 LEU 64 -4.381 -1.111 -4.382 476 1HD2 LEU 64 1HD2 LEU 64 -0.833 -3.405 -3.933 477 2HD2 LEU 64 2HD2 LEU 64 -0.842 -1.662 -4.198 478 3HD2 LEU 64 3HD2 LEU 64 -1.259 -2.756 -5.516 479 H LEU 65 H LEU 65 -2.110 -5.516 -2.466 480 HA LEU 65 HA LEU 65 -2.260 -6.580 -5.121 481 1HB LEU 65 2HB LEU 65 -0.101 -6.185 -4.223 482 2HB LEU 65 1HB LEU 65 -0.448 -7.115 -2.779 483 HG LEU 65 HG LEU 65 -0.435 -9.182 -4.079 484 1HD1 LEU 65 1HD2 LEU 65 0.341 -9.102 -6.445 485 2HD1 LEU 65 2HD2 LEU 65 0.111 -7.354 -6.409 486 3HD1 LEU 65 3HD2 LEU 65 -1.269 -8.429 -6.189 487 1HD2 LEU 65 1HD1 LEU 65 1.659 -8.728 -3.182 488 2HD2 LEU 65 2HD1 LEU 65 1.932 -7.358 -4.260 489 3HD2 LEU 65 3HD1 LEU 65 2.002 -9.004 -4.890 490 H LYS 66 H LYS 66 -3.362 -7.659 -2.040 491 HA LYS 66 HA LYS 66 -3.528 -10.440 -2.731 492 1HB LYS 66 1HB LYS 66 -3.297 -9.464 -0.386 493 2HB LYS 66 2HB LYS 66 -5.004 -9.060 -0.497 494 1HG LYS 66 1HG LYS 66 -5.618 -11.135 -0.006 495 2HG LYS 66 2HG LYS 66 -4.517 -11.821 -1.203 496 1HD LYS 66 2HD LYS 66 -3.117 -12.462 0.399 497 2HD LYS 66 1HD LYS 66 -3.004 -10.807 1.002 498 1HE LYS 66 2HE LYS 66 -5.361 -12.526 1.677 499 2HE LYS 66 1HE LYS 66 -3.857 -12.665 2.585 500 1HZ LYS 66 1HZ LYS 66 -5.268 -10.096 2.189 501 2HZ LYS 66 2HZ LYS 66 -4.003 -10.421 3.252 502 H ALA 67 H ALA 67 -5.877 -7.815 -2.366 503 HA ALA 67 HA ALA 67 -8.073 -9.454 -3.217 504 1HB ALA 67 1HB ALA 67 -9.329 -7.264 -3.145 505 2HB ALA 67 2HB ALA 67 -7.831 -6.534 -2.569 506 3HB ALA 67 3HB ALA 67 -8.613 -7.803 -1.626 507 H VAL 68 H VAL 68 -5.731 -7.504 -4.778 508 HA VAL 68 HA VAL 68 -7.375 -7.064 -7.113 509 HB VAL 68 HB VAL 68 -5.680 -5.408 -6.296 510 1HG1 VAL 68 1HG2 VAL 68 -3.916 -7.323 -6.057 511 2HG1 VAL 68 2HG2 VAL 68 -3.408 -5.701 -6.536 512 3HG1 VAL 68 3HG2 VAL 68 -3.596 -6.968 -7.754 513 1HG2 VAL 68 1HG1 VAL 68 -4.718 -5.290 -8.828 514 2HG2 VAL 68 2HG1 VAL 68 -6.327 -4.750 -8.348 515 3HG2 VAL 68 3HG1 VAL 68 -6.107 -6.355 -9.044 516 H SER 69 H SER 69 -4.888 -9.250 -6.020 517 HA SER 69 HA SER 69 -4.561 -10.428 -8.664 518 1HB SER 69 1HB SER 69 -2.558 -10.186 -7.299 519 2HB SER 69 2HB SER 69 -3.300 -11.118 -5.998 520 HG SER 69 HG SER 69 -2.286 -12.692 -6.994 521 H LYS 70 H LYS 70 -5.383 -11.649 -5.411 522 HA LYS 70 HA LYS 70 -6.589 -13.465 -4.740 523 1HB LYS 70 1HB LYS 70 -8.190 -11.839 -6.417 524 2HB LYS 70 2HB LYS 70 -8.575 -13.508 -6.812 525 1HG LYS 70 2HG LYS 70 -9.823 -13.680 -4.995 526 2HG LYS 70 1HG LYS 70 -8.450 -13.239 -3.977 527 1HD LYS 70 1HD LYS 70 -8.993 -10.817 -4.684 528 2HD LYS 70 2HD LYS 70 -10.557 -11.474 -5.173 529 1HE LYS 70 1HE LYS 70 -9.394 -11.881 -2.428 530 2HE LYS 70 2HE LYS 70 -10.428 -10.512 -2.837 531 1HZ LYS 70 1HZ LYS 70 -11.390 -13.179 -3.515 532 2HZ LYS 70 2HZ LYS 70 -12.250 -11.816 -3.023 Start of MODEL 2 1 H VAL 7 H VAL 7 17.850 3.338 -3.962 2 HA VAL 7 HA VAL 7 16.265 1.968 -4.854 3 HB VAL 7 HB VAL 7 15.580 0.676 -2.273 4 1HG1 VAL 7 1HG1 VAL 7 14.746 -0.701 -3.810 5 2HG1 VAL 7 2HG1 VAL 7 16.409 -1.220 -4.092 6 3HG1 VAL 7 3HG1 VAL 7 15.693 0.035 -5.102 7 1HG2 VAL 7 1HG2 VAL 7 18.357 0.812 -3.346 8 2HG2 VAL 7 2HG2 VAL 7 17.783 -0.707 -2.659 9 3HG2 VAL 7 3HG2 VAL 7 17.793 0.756 -1.676 10 H ARG 8 H ARG 8 14.623 3.322 -5.392 11 HA ARG 8 HA ARG 8 12.404 3.498 -3.479 12 1HB ARG 8 2HB ARG 8 13.383 5.784 -5.201 13 2HB ARG 8 1HB ARG 8 11.966 5.816 -4.162 14 1HG ARG 8 1HG ARG 8 13.459 5.426 -2.214 15 2HG ARG 8 2HG ARG 8 14.839 5.573 -3.305 16 1HD ARG 8 2HD ARG 8 12.846 7.671 -2.510 17 2HD ARG 8 1HD ARG 8 14.600 7.698 -2.346 18 1HH1 ARG 8 2HH1 ARG 8 11.449 7.652 -3.816 19 2HH1 ARG 8 1HH1 ARG 8 10.859 8.372 -5.272 20 1HH2 ARG 8 2HH2 ARG 8 14.019 9.250 -6.476 21 2HH2 ARG 8 1HH2 ARG 8 12.316 9.279 -6.782 22 H CYS 9 H CYS 9 10.383 4.382 -4.725 23 HA CYS 9 HA CYS 9 10.221 2.829 -7.217 24 1HB CYS 9 1HB CYS 9 7.618 3.550 -6.511 25 2HB CYS 9 2HB CYS 9 8.348 1.968 -6.349 26 H THR 10 H THR 10 8.048 3.861 -8.423 27 HA THR 10 HA THR 10 8.675 6.708 -8.817 28 HB THR 10 HB THR 10 8.319 6.353 -11.254 29 HG1 THR 10 HG1 THR 10 8.472 3.599 -10.619 30 1HG2 THR 10 1HG2 THR 10 10.536 6.334 -11.218 31 2HG2 THR 10 2HG2 THR 10 10.408 4.579 -11.327 32 3HG2 THR 10 3HG2 THR 10 10.589 5.354 -9.753 33 H CYS 11 H CYS 11 6.831 7.137 -7.490 34 HA CYS 11 HA CYS 11 4.378 7.209 -9.038 35 1HB CYS 11 2HB CYS 11 4.574 5.804 -6.368 36 2HB CYS 11 1HB CYS 11 3.051 6.332 -7.073 37 H ILE 12 H ILE 12 3.812 9.273 -8.961 38 HA ILE 12 HA ILE 12 4.783 11.234 -7.310 39 HB ILE 12 HB ILE 12 2.010 11.188 -8.503 40 1HG1 ILE 12 2HG1 ILE 12 3.832 12.777 -10.000 41 2HG1 ILE 12 1HG1 ILE 12 4.594 11.210 -9.740 42 1HG2 ILE 12 1HG2 ILE 12 2.479 13.713 -8.564 43 2HG2 ILE 12 2HG2 ILE 12 3.731 13.365 -7.371 44 3HG2 ILE 12 3HG2 ILE 12 2.045 12.983 -7.018 45 1HD1 ILE 12 1HD1 ILE 12 2.506 11.937 -11.554 46 2HD1 ILE 12 2HD1 ILE 12 1.953 10.659 -10.469 47 3HD1 ILE 12 3HD1 ILE 12 3.412 10.428 -11.432 48 H SER 13 H SER 13 1.726 9.453 -6.887 49 HA SER 13 HA SER 13 1.885 10.014 -4.014 50 1HB SER 13 2HB SER 13 -0.508 10.506 -5.792 51 2HB SER 13 1HB SER 13 -0.630 10.373 -4.039 52 HG SER 13 HG SER 13 1.207 12.158 -5.199 53 H ILE 14 H ILE 14 1.816 8.170 -2.928 54 HA ILE 14 HA ILE 14 0.724 5.782 -4.205 55 HB ILE 14 HB ILE 14 1.715 4.602 -2.210 56 1HG1 ILE 14 2HG1 ILE 14 3.258 7.138 -1.734 57 2HG1 ILE 14 1HG1 ILE 14 1.736 6.850 -0.895 58 1HG2 ILE 14 1HG2 ILE 14 3.651 6.227 -3.852 59 2HG2 ILE 14 2HG2 ILE 14 2.826 4.773 -4.411 60 3HG2 ILE 14 3HG2 ILE 14 3.965 4.679 -3.070 61 1HD1 ILE 14 1HD1 ILE 14 4.146 5.054 -0.797 62 2HD1 ILE 14 2HD1 ILE 14 2.634 4.822 0.081 63 3HD1 ILE 14 3HD1 ILE 14 3.665 6.204 0.449 64 H SER 15 H SER 15 -0.781 4.399 -3.151 65 HA SER 15 HA SER 15 -2.674 5.874 -1.492 66 1HB SER 15 2HB SER 15 -3.571 4.702 -3.430 67 2HB SER 15 1HB SER 15 -2.895 3.180 -2.849 68 HG SER 15 HG SER 15 -4.921 3.102 -2.117 69 H ASN 16 H ASN 16 -1.727 5.881 0.532 70 HA ASN 16 HA ASN 16 -1.713 3.277 1.891 71 1HB ASN 16 1HB ASN 16 0.248 4.025 3.226 72 2HB ASN 16 2HB ASN 16 0.614 3.839 1.514 73 1HD2 ASN 16 1HD2 ASN 16 0.285 6.037 4.152 74 2HD2 ASN 16 2HD2 ASN 16 0.910 7.432 3.346 75 H GLN 17 H GLN 17 -3.634 5.526 1.693 76 HA GLN 17 HA GLN 17 -3.733 6.300 4.531 77 1HB GLN 17 2HB GLN 17 -4.464 8.375 3.970 78 2HB GLN 17 1HB GLN 17 -3.600 8.014 2.489 79 1HG GLN 17 1HG GLN 17 -5.674 7.370 1.406 80 2HG GLN 17 2HG GLN 17 -6.562 7.690 2.894 81 1HE2 GLN 17 1HE2 GLN 17 -6.386 9.915 3.749 82 2HE2 GLN 17 2HE2 GLN 17 -6.357 11.215 2.611 83 HA PRO 18 HA PRO 18 -7.635 4.619 5.637 84 1HB PRO 18 2HB PRO 18 -9.021 7.067 4.598 85 2HB PRO 18 1HB PRO 18 -9.341 6.145 6.073 86 1HG PRO 18 1HG PRO 18 -7.919 8.388 6.178 87 2HG PRO 18 2HG PRO 18 -7.465 6.985 7.159 88 1HD PRO 18 2HD PRO 18 -6.169 8.111 4.751 89 2HD PRO 18 1HD PRO 18 -5.456 7.170 6.073 90 H VAL 19 H VAL 19 -7.519 6.085 2.439 91 HA VAL 19 HA VAL 19 -9.651 4.381 1.471 92 HB VAL 19 HB VAL 19 -8.914 5.386 -0.802 93 1HG1 VAL 19 1HG2 VAL 19 -10.343 6.698 1.453 94 2HG1 VAL 19 2HG2 VAL 19 -10.967 6.096 -0.084 95 3HG1 VAL 19 3HG2 VAL 19 -10.072 7.616 -0.029 96 1HG2 VAL 19 1HG1 VAL 19 -7.694 7.411 -0.753 97 2HG2 VAL 19 2HG1 VAL 19 -6.752 6.243 0.175 98 3HG2 VAL 19 3HG1 VAL 19 -7.713 7.461 1.011 99 H ASN 20 H ASN 20 -8.057 2.620 2.365 100 HA ASN 20 HA ASN 20 -5.965 1.768 0.633 101 1HB ASN 20 2HB ASN 20 -7.575 0.164 2.637 102 2HB ASN 20 1HB ASN 20 -6.048 -0.313 1.927 103 1HD2 ASN 20 1HD2 ASN 20 -4.319 1.490 2.159 104 2HD2 ASN 20 2HD2 ASN 20 -4.157 2.136 3.753 105 HA PRO 21 HA PRO 21 -7.580 -0.341 -2.785 106 1HB PRO 21 1HB PRO 21 -7.065 -2.960 -1.459 107 2HB PRO 21 2HB PRO 21 -6.706 -2.432 -3.119 108 1HG PRO 21 2HG PRO 21 -4.848 -2.432 -1.121 109 2HG PRO 21 1HG PRO 21 -4.827 -1.298 -2.469 110 1HD PRO 21 2HD PRO 21 -5.324 -0.810 0.336 111 2HD PRO 21 1HD PRO 21 -5.014 0.350 -0.961 112 H ARG 22 H ARG 22 -9.080 -1.133 0.308 113 HA ARG 22 HA ARG 22 -11.220 -2.725 -0.349 114 1HB ARG 22 2HB ARG 22 -10.732 -0.603 1.566 115 2HB ARG 22 1HB ARG 22 -12.395 -0.563 0.996 116 1HG ARG 22 1HG ARG 22 -12.269 -3.146 1.485 117 2HG ARG 22 2HG ARG 22 -10.977 -2.638 2.575 118 1HD ARG 22 1HD ARG 22 -13.135 -2.740 3.720 119 2HD ARG 22 2HD ARG 22 -12.495 -1.098 3.686 120 1HH1 ARG 22 2HH2 ARG 22 -14.322 -1.177 4.948 121 2HH1 ARG 22 1HH2 ARG 22 -15.921 -0.512 4.964 122 1HH2 ARG 22 2HH1 ARG 22 -16.302 -0.600 1.489 123 2HH2 ARG 22 1HH1 ARG 22 -17.047 -0.184 2.996 124 H SER 23 H SER 23 -10.495 0.524 -1.270 125 HA SER 23 HA SER 23 -12.704 0.617 -3.199 126 1HB SER 23 1HB SER 23 -12.044 2.949 -3.558 127 2HB SER 23 2HB SER 23 -12.296 2.682 -1.833 128 HG SER 23 HG SER 23 -10.309 3.247 -1.533 129 H LEU 24 H LEU 24 -12.027 -0.736 -4.838 130 HA LEU 24 HA LEU 24 -9.438 -0.165 -6.108 131 1HB LEU 24 2HB LEU 24 -8.784 -1.883 -4.592 132 2HB LEU 24 1HB LEU 24 -10.154 -2.883 -5.033 133 HG LEU 24 HG LEU 24 -8.346 -2.197 -7.259 134 1HD1 LEU 24 1HD2 LEU 24 -7.354 -4.263 -5.327 135 2HD1 LEU 24 2HD2 LEU 24 -6.882 -2.574 -5.150 136 3HD1 LEU 24 3HD2 LEU 24 -6.490 -3.447 -6.630 137 1HD2 LEU 24 1HD1 LEU 24 -8.624 -4.916 -7.116 138 2HD2 LEU 24 2HD1 LEU 24 -9.673 -3.820 -8.017 139 3HD2 LEU 24 3HD1 LEU 24 -10.124 -4.337 -6.393 140 H GLU 25 H GLU 25 -9.411 -0.580 -8.317 141 HA GLU 25 HA GLU 25 -11.722 -1.961 -9.477 142 1HB GLU 25 1HB GLU 25 -12.003 0.691 -9.149 143 2HB GLU 25 2HB GLU 25 -11.167 0.697 -10.691 144 1HG GLU 25 2HG GLU 25 -12.872 -0.507 -11.755 145 2HG GLU 25 1HG GLU 25 -13.602 -0.980 -10.221 146 H LYS 26 H LYS 26 -9.351 0.308 -10.827 147 HA LYS 26 HA LYS 26 -8.525 -1.798 -12.698 148 1HB LYS 26 2HB LYS 26 -7.699 1.033 -13.120 149 2HB LYS 26 1HB LYS 26 -8.059 -0.214 -14.300 150 1HG LYS 26 2HG LYS 26 -10.327 0.791 -12.677 151 2HG LYS 26 1HG LYS 26 -9.645 1.871 -13.893 152 1HD LYS 26 1HD LYS 26 -10.685 0.772 -15.514 153 2HD LYS 26 2HD LYS 26 -9.933 -0.744 -15.011 154 1HE LYS 26 2HE LYS 26 -11.708 -1.006 -13.306 155 2HE LYS 26 1HE LYS 26 -12.482 0.451 -13.930 156 1HZ LYS 26 1HZ LYS 26 -13.030 -2.028 -14.758 157 2HZ LYS 26 2HZ LYS 26 -11.882 -1.576 -15.903 158 1HN MLE 27 1HM LEM 27 -7.500 -3.323 -12.197 159 2HN MLE 27 2HM LEM 27 -8.009 -3.156 -10.519 160 3HN MLE 27 3HM LEM 27 -6.501 -3.980 -10.904 161 HA MLE 27 HA LEM 27 -4.826 -1.012 -10.444 162 1HB MLE 27 1HB LEM 27 -5.140 -3.352 -8.733 163 2HB MLE 27 2HB LEM 27 -6.568 -2.339 -8.759 164 HG MLE 27 HG LEM 27 -4.179 -0.749 -8.448 165 1HD1 MLE 27 1HD1 LEM 27 -5.458 -0.084 -6.365 166 2HD1 MLE 27 2HD1 LEM 27 -6.710 -1.207 -6.891 167 3HD1 MLE 27 3HD1 LEM 27 -6.284 0.170 -7.902 168 1HD2 MLE 27 1HD2 LEM 27 -4.640 -2.431 -6.071 169 2HD2 MLE 27 2HD2 LEM 27 -3.165 -1.669 -6.654 170 3HD2 MLE 27 3HD2 LEM 27 -3.738 -3.154 -7.399 171 H GLU 28 H GLU 28 -3.333 -1.473 -11.943 172 HA GLU 28 HA GLU 28 -2.725 -4.244 -12.600 173 1HB GLU 28 2HB GLU 28 -2.789 -2.606 -14.423 174 2HB GLU 28 1HB GLU 28 -1.542 -1.657 -13.628 175 1HG GLU 28 1HG GLU 28 -0.853 -3.135 -15.557 176 2HG GLU 28 2HG GLU 28 0.104 -3.241 -14.080 177 H ILE 29 H ILE 29 -1.602 -5.238 -11.044 178 HA ILE 29 HA ILE 29 0.414 -3.787 -9.545 179 HB ILE 29 HB ILE 29 0.510 -5.665 -8.074 180 1HG1 ILE 29 1HG1 ILE 29 -1.119 -7.642 -8.659 181 2HG1 ILE 29 2HG1 ILE 29 -0.883 -7.089 -10.316 182 1HG2 ILE 29 1HG2 ILE 29 -1.562 -5.455 -7.130 183 2HG2 ILE 29 2HG2 ILE 29 -2.403 -5.607 -8.673 184 3HG2 ILE 29 3HG2 ILE 29 -1.594 -4.096 -8.256 185 1HD1 ILE 29 1HD1 ILE 29 1.665 -7.256 -9.105 186 2HD1 ILE 29 2HD1 ILE 29 0.999 -8.237 -10.411 187 3HD1 ILE 29 3HD1 ILE 29 0.791 -8.743 -8.735 188 H ILE 30 H ILE 30 2.547 -4.037 -9.676 189 HA ILE 30 HA ILE 30 3.619 -6.111 -11.471 190 HB ILE 30 HB ILE 30 5.308 -3.730 -11.284 191 1HG1 ILE 30 1HG1 ILE 30 2.689 -3.497 -12.791 192 2HG1 ILE 30 2HG1 ILE 30 3.092 -2.604 -11.330 193 1HG2 ILE 30 1HG2 ILE 30 4.757 -5.889 -13.061 194 2HG2 ILE 30 2HG2 ILE 30 6.106 -4.753 -13.077 195 3HG2 ILE 30 3HG2 ILE 30 4.618 -4.368 -13.942 196 1HD1 ILE 30 1HD1 ILE 30 5.113 -2.279 -13.364 197 2HD1 ILE 30 2HD1 ILE 30 4.194 -1.064 -12.474 198 3HD1 ILE 30 3HD1 ILE 30 3.515 -1.792 -13.930 199 HA PRO 31 HA PRO 31 6.264 -6.933 -8.034 200 1HB PRO 31 2HB PRO 31 8.261 -8.302 -9.237 201 2HB PRO 31 1HB PRO 31 6.622 -8.941 -9.085 202 1HG PRO 31 2HG PRO 31 8.031 -7.937 -11.464 203 2HG PRO 31 1HG PRO 31 6.637 -9.020 -11.357 204 1HD PRO 31 1HD PRO 31 6.664 -6.211 -11.926 205 2HD PRO 31 2HD PRO 31 5.263 -7.295 -11.833 206 H ALA 32 H ALA 32 6.946 -4.854 -7.391 207 HA ALA 32 HA ALA 32 9.245 -3.621 -8.611 208 1HB ALA 32 1HB ALA 32 7.252 -2.469 -7.408 209 2HB ALA 32 2HB ALA 32 8.877 -1.818 -7.197 210 3HB ALA 32 3HB ALA 32 8.162 -2.816 -5.938 211 H SER 33 H SER 33 11.335 -3.709 -7.949 212 HA SER 33 HA SER 33 12.042 -4.686 -5.326 213 1HB SER 33 2HB SER 33 12.370 -6.352 -7.787 214 2HB SER 33 1HB SER 33 13.621 -6.424 -6.547 215 HG SER 33 HG SER 33 11.240 -7.613 -6.568 216 H GLN 34 H GLN 34 13.648 -4.515 -8.511 217 HA GLN 34 HA GLN 34 16.116 -3.685 -7.686 218 1HB GLN 34 1HB GLN 34 16.357 -2.621 -9.937 219 2HB GLN 34 2HB GLN 34 15.751 -4.272 -9.981 220 1HG GLN 34 1HG GLN 34 13.467 -3.403 -10.249 221 2HG GLN 34 2HG GLN 34 14.115 -1.763 -10.274 222 1HE2 GLN 34 1HE2 GLN 34 15.402 -1.113 -12.038 223 2HE2 GLN 34 2HE2 GLN 34 15.316 -1.930 -13.557 224 H PHE 35 H PHE 35 13.290 -1.646 -8.290 225 HA PHE 35 HA PHE 35 14.804 0.695 -7.395 226 1HB PHE 35 1HB PHE 35 12.738 0.291 -9.325 227 2HB PHE 35 2HB PHE 35 12.136 1.396 -8.094 228 HD1 PHE 35 HD1 PHE 35 14.722 2.724 -7.368 229 HD2 PHE 35 HD2 PHE 35 13.027 1.734 -11.146 230 HE1 PHE 35 HE1 PHE 35 15.982 4.563 -8.413 231 HE2 PHE 35 HE2 PHE 35 14.283 3.570 -12.196 232 HZ PHE 35 HZ PHE 35 15.763 4.987 -10.829 233 H CYS 36 H CYS 36 11.577 -0.726 -6.837 234 HA CYS 36 HA CYS 36 11.805 0.138 -4.035 235 1HB CYS 36 1HB CYS 36 10.033 1.222 -5.825 236 2HB CYS 36 2HB CYS 36 9.067 -0.050 -5.080 237 HA PRO 37 HA PRO 37 11.058 -4.272 -3.482 238 1HB PRO 37 1HB PRO 37 11.266 -4.354 -0.828 239 2HB PRO 37 2HB PRO 37 12.686 -3.972 -1.819 240 1HG PRO 37 1HG PRO 37 10.752 -2.062 -0.518 241 2HG PRO 37 2HG PRO 37 12.515 -2.133 -0.300 242 1HD PRO 37 2HD PRO 37 11.425 -0.428 -2.031 243 2HD PRO 37 1HD PRO 37 12.916 -1.303 -2.454 244 H ARG 38 H ARG 38 8.759 -3.411 -4.217 245 HA ARG 38 HA ARG 38 6.848 -4.438 -2.335 246 1HB ARG 38 1HB ARG 38 6.426 -1.587 -3.228 247 2HB ARG 38 2HB ARG 38 5.507 -2.493 -2.036 248 1HG ARG 38 2HG ARG 38 7.448 -2.484 -0.542 249 2HG ARG 38 1HG ARG 38 8.349 -1.545 -1.736 250 1HD ARG 38 1HD ARG 38 6.586 0.207 -1.579 251 2HD ARG 38 2HD ARG 38 5.869 -0.704 -0.251 252 1HH1 ARG 38 2HH2 ARG 38 6.556 -1.739 1.321 253 2HH1 ARG 38 1HH2 ARG 38 7.338 -1.541 2.855 254 1HH2 ARG 38 2HH1 ARG 38 9.255 1.206 1.853 255 2HH2 ARG 38 1HH1 ARG 38 8.873 0.132 3.157 256 H VAL 39 H VAL 39 4.544 -3.279 -3.528 257 HA VAL 39 HA VAL 39 4.615 -4.649 -6.107 258 HB VAL 39 HB VAL 39 2.066 -3.503 -5.010 259 1HG1 VAL 39 1HG1 VAL 39 2.442 -4.704 -7.270 260 2HG1 VAL 39 2HG1 VAL 39 1.052 -5.149 -6.281 261 3HG1 VAL 39 3HG1 VAL 39 2.487 -6.174 -6.297 262 1HG2 VAL 39 1HG2 VAL 39 3.038 -4.615 -3.074 263 2HG2 VAL 39 2HG2 VAL 39 3.377 -6.052 -4.039 264 3HG2 VAL 39 3HG2 VAL 39 1.709 -5.579 -3.719 265 H GLU 40 H GLU 40 4.549 -3.587 -8.007 266 HA GLU 40 HA GLU 40 4.512 -0.676 -7.945 267 1HB GLU 40 1HB GLU 40 5.632 -2.690 -9.676 268 2HB GLU 40 2HB GLU 40 4.616 -1.608 -10.618 269 1HG GLU 40 1HG GLU 40 6.725 -0.595 -8.741 270 2HG GLU 40 2HG GLU 40 7.071 -1.015 -10.419 271 H ILE 41 H ILE 41 2.704 0.455 -8.318 272 HA ILE 41 HA ILE 41 0.470 -1.041 -9.501 273 HB ILE 41 HB ILE 41 0.133 0.836 -7.184 274 1HG1 ILE 41 1HG1 ILE 41 1.775 -0.818 -6.455 275 2HG1 ILE 41 2HG1 ILE 41 0.231 -1.104 -5.665 276 1HG2 ILE 41 1HG2 ILE 41 -1.517 -1.580 -7.738 277 2HG2 ILE 41 2HG2 ILE 41 -1.741 -0.121 -8.706 278 3HG2 ILE 41 3HG2 ILE 41 -1.961 -0.060 -6.956 279 1HD1 ILE 41 1HD1 ILE 41 0.392 -3.214 -6.308 280 2HD1 ILE 41 2HD1 ILE 41 1.801 -2.859 -7.297 281 3HD1 ILE 41 3HD1 ILE 41 0.181 -2.671 -7.971 282 H ILE 42 H ILE 42 -0.801 -0.101 -10.842 283 HA ILE 42 HA ILE 42 -0.946 2.834 -10.953 284 HB ILE 42 HB ILE 42 -1.524 1.016 -13.292 285 1HG1 ILE 42 2HG1 ILE 42 0.883 0.966 -12.790 286 2HG1 ILE 42 1HG1 ILE 42 0.571 1.855 -14.277 287 1HG2 ILE 42 1HG2 ILE 42 -0.978 3.684 -14.038 288 2HG2 ILE 42 2HG2 ILE 42 -2.100 3.740 -12.677 289 3HG2 ILE 42 3HG2 ILE 42 -2.514 2.819 -14.124 290 1HD1 ILE 42 1HD1 ILE 42 0.702 3.961 -12.927 291 2HD1 ILE 42 2HD1 ILE 42 2.209 3.055 -13.070 292 3HD1 ILE 42 3HD1 ILE 42 1.268 2.972 -11.581 293 H ALA 43 H ALA 43 -2.482 2.602 -9.306 294 HA ALA 43 HA ALA 43 -4.703 0.833 -9.657 295 1HB ALA 43 1HB ALA 43 -3.806 2.677 -7.469 296 2HB ALA 43 2HB ALA 43 -3.785 0.910 -7.500 297 3HB ALA 43 3HB ALA 43 -5.317 1.776 -7.377 298 H THR 44 H THR 44 -6.827 1.304 -9.414 299 HA THR 44 HA THR 44 -7.776 4.032 -9.631 300 HB THR 44 HB THR 44 -8.540 1.855 -11.580 301 HG1 THR 44 HG1 THR 44 -6.838 3.067 -12.315 302 1HG2 THR 44 1HG2 THR 44 -10.071 3.683 -12.504 303 2HG2 THR 44 2HG2 THR 44 -9.980 4.374 -10.884 304 3HG2 THR 44 3HG2 THR 44 -10.621 2.747 -11.114 305 H MET 45 H MET 45 -9.223 4.248 -8.047 306 HA MET 45 HA MET 45 -9.983 1.884 -6.618 307 1HB MET 45 2HB MET 45 -10.320 4.831 -6.085 308 2HB MET 45 1HB MET 45 -10.932 3.596 -4.994 309 1HG MET 45 2HG MET 45 -8.871 3.029 -4.252 310 2HG MET 45 1HG MET 45 -8.092 3.401 -5.789 311 1HE MET 45 1HE MET 45 -6.225 4.116 -4.571 312 2HE MET 45 2HE MET 45 -6.515 4.684 -2.926 313 3HE MET 45 3HE MET 45 -5.952 5.810 -4.162 314 H LYS 46 H LYS 46 -11.811 0.836 -6.685 315 HA LYS 46 HA LYS 46 -14.186 2.023 -7.910 316 1HB LYS 46 1HB LYS 46 -13.366 -0.439 -8.344 317 2HB LYS 46 2HB LYS 46 -14.113 -0.758 -6.795 318 1HG LYS 46 1HG LYS 46 -15.861 0.756 -8.522 319 2HG LYS 46 2HG LYS 46 -15.350 -0.760 -9.269 320 1HD LYS 46 2HD LYS 46 -15.922 -1.731 -6.887 321 2HD LYS 46 1HD LYS 46 -16.949 -0.299 -6.799 322 1HE LYS 46 1HE LYS 46 -18.353 -1.033 -8.437 323 2HE LYS 46 2HE LYS 46 -17.089 -1.939 -9.267 324 1HZ LYS 46 1HZ LYS 46 -18.686 -3.419 -8.277 325 2HZ LYS 46 2HZ LYS 46 -18.459 -2.726 -6.759 326 H LYS 47 H LYS 47 -14.905 3.372 -6.464 327 HA LYS 47 HA LYS 47 -16.360 2.739 -4.227 328 1HB LYS 47 2HB LYS 47 -13.964 2.132 -3.401 329 2HB LYS 47 1HB LYS 47 -13.726 3.866 -3.326 330 1HG LYS 47 2HG LYS 47 -14.393 2.692 -1.193 331 2HG LYS 47 1HG LYS 47 -15.319 4.125 -1.641 332 1HD LYS 47 1HD LYS 47 -16.710 2.227 -0.821 333 2HD LYS 47 2HD LYS 47 -17.133 2.777 -2.443 334 1HE LYS 47 1HE LYS 47 -16.797 0.738 -3.247 335 2HE LYS 47 2HE LYS 47 -15.134 0.763 -2.661 336 1HZ LYS 47 1HZ LYS 47 -16.086 -1.065 -1.636 337 2HZ LYS 47 2HZ LYS 47 -16.119 0.121 -0.440 338 H LYS 48 H LYS 48 -14.152 4.937 -5.775 339 HA LYS 48 HA LYS 48 -16.111 7.047 -5.730 340 1HB LYS 48 1HB LYS 48 -14.870 7.103 -3.517 341 2HB LYS 48 2HB LYS 48 -13.435 7.550 -4.436 342 1HG LYS 48 2HG LYS 48 -14.323 9.571 -3.655 343 2HG LYS 48 1HG LYS 48 -14.791 9.481 -5.356 344 1HD LYS 48 1HD LYS 48 -16.960 8.387 -4.415 345 2HD LYS 48 2HD LYS 48 -16.470 9.148 -2.901 346 1HE LYS 48 2HE LYS 48 -17.451 11.008 -3.618 347 2HE LYS 48 1HE LYS 48 -16.174 11.136 -4.826 348 1HZ LYS 48 1HZ LYS 48 -18.651 11.118 -5.533 349 2HZ LYS 48 2HZ LYS 48 -17.499 10.307 -6.457 350 H GLY 49 H GLY 49 -14.499 5.387 -7.627 351 1HA GLY 49 1HA GLY 49 -13.205 5.616 -9.524 352 2HA GLY 49 2HA GLY 49 -14.170 7.070 -9.726 353 H GLU 50 H GLU 50 -11.331 5.947 -7.876 354 HA GLU 50 HA GLU 50 -10.055 8.522 -8.547 355 1HB GLU 50 1HB GLU 50 -10.773 7.856 -6.050 356 2HB GLU 50 2HB GLU 50 -9.188 7.095 -6.093 357 1HG GLU 50 2HG GLU 50 -9.542 9.944 -6.931 358 2HG GLU 50 1HG GLU 50 -9.399 9.511 -5.228 359 H LYS 51 H LYS 51 -8.369 8.291 -9.842 360 HA LYS 51 HA LYS 51 -6.976 5.732 -9.982 361 1HB LYS 51 1HB LYS 51 -5.806 6.867 -11.941 362 2HB LYS 51 2HB LYS 51 -7.529 6.560 -12.123 363 1HG LYS 51 1HG LYS 51 -8.070 8.830 -11.773 364 2HG LYS 51 2HG LYS 51 -6.443 9.204 -11.201 365 1HD LYS 51 2HD LYS 51 -5.715 9.571 -13.273 366 2HD LYS 51 1HD LYS 51 -6.383 8.042 -13.845 367 1HE LYS 51 2HE LYS 51 -8.652 9.396 -13.658 368 2HE LYS 51 1HE LYS 51 -7.564 10.767 -13.874 369 1HZ LYS 51 1HZ LYS 51 -8.383 8.744 -15.757 370 2HZ LYS 51 2HZ LYS 51 -6.730 9.067 -15.775 371 H ARG 52 H ARG 52 -5.013 5.372 -9.168 372 HA ARG 52 HA ARG 52 -3.220 7.586 -8.582 373 1HB ARG 52 1HB ARG 52 -4.827 7.099 -6.611 374 2HB ARG 52 2HB ARG 52 -3.881 5.633 -6.393 375 1HG ARG 52 2HG ARG 52 -2.310 6.750 -5.302 376 2HG ARG 52 1HG ARG 52 -2.132 7.893 -6.636 377 1HD ARG 52 2HD ARG 52 -3.533 9.425 -5.698 378 2HD ARG 52 1HD ARG 52 -4.502 8.200 -4.878 379 1HH1 ARG 52 2HH2 ARG 52 -4.868 10.139 -3.904 380 2HH1 ARG 52 1HH2 ARG 52 -4.625 10.893 -2.363 381 1HH2 ARG 52 2HH1 ARG 52 -1.594 9.272 -1.722 382 2HH2 ARG 52 1HH1 ARG 52 -2.764 10.399 -1.122 383 H CYS 53 H CYS 53 -1.068 6.867 -7.919 384 HA CYS 53 HA CYS 53 -0.408 4.216 -9.020 385 1HB CYS 53 2HB CYS 53 0.690 6.230 -10.059 386 2HB CYS 53 1HB CYS 53 1.474 6.532 -8.512 387 H LEU 54 H LEU 54 -0.547 2.837 -7.329 388 HA LEU 54 HA LEU 54 0.413 3.676 -4.719 389 1HB LEU 54 2HB LEU 54 -0.698 0.962 -5.094 390 2HB LEU 54 1HB LEU 54 -0.968 2.121 -3.810 391 HG LEU 54 HG LEU 54 -2.294 1.989 -6.502 392 1HD1 LEU 54 1HD1 LEU 54 -4.088 2.464 -4.393 393 2HD1 LEU 54 2HD1 LEU 54 -2.982 1.206 -3.842 394 3HD1 LEU 54 3HD1 LEU 54 -3.891 0.988 -5.339 395 1HD2 LEU 54 1HD2 LEU 54 -1.775 4.334 -4.827 396 2HD2 LEU 54 2HD2 LEU 54 -3.467 4.108 -5.273 397 3HD2 LEU 54 3HD2 LEU 54 -2.234 4.228 -6.527 398 H ASN 55 H ASN 55 1.569 2.168 -3.355 399 HA ASN 55 HA ASN 55 3.280 0.213 -4.593 400 1HB ASN 55 1HB ASN 55 4.264 2.895 -3.788 401 2HB ASN 55 2HB ASN 55 5.244 1.524 -3.279 402 1HD2 ASN 55 1HD2 ASN 55 5.977 0.050 -4.937 403 2HD2 ASN 55 2HD2 ASN 55 6.278 0.648 -6.530 404 HA PRO 56 HA PRO 56 1.138 -0.948 -0.630 405 1HB PRO 56 2HB PRO 56 2.848 -3.181 -1.718 406 2HB PRO 56 1HB PRO 56 1.373 -3.310 -0.745 407 1HG PRO 56 1HG PRO 56 1.179 -3.422 -3.375 408 2HG PRO 56 2HG PRO 56 0.023 -2.447 -2.458 409 1HD PRO 56 1HD PRO 56 2.228 -1.568 -4.229 410 2HD PRO 56 2HD PRO 56 0.760 -0.699 -3.738 411 H GLU 57 H GLU 57 2.150 0.356 0.790 412 HA GLU 57 HA GLU 57 4.357 -0.865 2.246 413 1HB GLU 57 2HB GLU 57 5.246 1.514 2.652 414 2HB GLU 57 1HB GLU 57 5.606 0.774 1.097 415 1HG GLU 57 1HG GLU 57 4.760 2.568 0.121 416 2HG GLU 57 2HG GLU 57 3.176 2.095 0.740 417 H SER 58 H SER 58 1.894 -1.255 2.987 418 HA SER 58 HA SER 58 1.514 0.274 5.399 419 1HB SER 58 2HB SER 58 0.059 0.932 2.975 420 2HB SER 58 1HB SER 58 -1.048 0.399 4.239 421 HG SER 58 HG SER 58 -0.801 2.309 5.054 422 H LYS 59 H LYS 59 -1.114 -0.439 5.964 423 HA LYS 59 HA LYS 59 -0.812 -3.278 6.445 424 1HB LYS 59 2HB LYS 59 -1.509 -1.917 8.298 425 2HB LYS 59 1HB LYS 59 -2.853 -1.276 7.371 426 1HG LYS 59 2HG LYS 59 -4.067 -3.251 7.514 427 2HG LYS 59 1HG LYS 59 -2.640 -4.206 7.923 428 1HD LYS 59 1HD LYS 59 -2.546 -3.285 10.111 429 2HD LYS 59 2HD LYS 59 -3.750 -2.056 9.713 430 1HE LYS 59 2HE LYS 59 -5.381 -3.926 9.322 431 2HE LYS 59 1HE LYS 59 -4.174 -5.023 9.992 432 1HZ LYS 59 1HZ LYS 59 -5.007 -2.650 11.512 433 2HZ LYS 59 2HZ LYS 59 -5.988 -4.020 11.507 434 H ALA 60 H ALA 60 -3.852 -1.596 5.734 435 HA ALA 60 HA ALA 60 -5.068 -3.717 4.413 436 1HB ALA 60 1HB ALA 60 -6.634 -2.178 4.932 437 2HB ALA 60 2HB ALA 60 -6.344 -1.667 3.270 438 3HB ALA 60 3HB ALA 60 -5.563 -0.815 4.604 439 H ILE 61 H ILE 61 -2.682 -1.503 3.303 440 HA ILE 61 HA ILE 61 -3.051 -1.536 0.558 441 HB ILE 61 HB ILE 61 -1.159 -0.564 2.319 442 1HG1 ILE 61 1HG1 ILE 61 -1.746 0.761 0.511 443 2HG1 ILE 61 2HG1 ILE 61 -0.075 0.344 0.165 444 1HG2 ILE 61 1HG2 ILE 61 0.277 -2.424 2.322 445 2HG2 ILE 61 2HG2 ILE 61 1.024 -1.214 1.286 446 3HG2 ILE 61 3HG2 ILE 61 0.194 -2.585 0.569 447 1HD1 ILE 61 1HD1 ILE 61 -2.543 -0.425 -1.245 448 2HD1 ILE 61 2HD1 ILE 61 -1.263 -1.635 -1.152 449 3HD1 ILE 61 3HD1 ILE 61 -0.935 -0.058 -1.871 450 H LYS 62 H LYS 62 -1.731 -3.949 2.743 451 HA LYS 62 HA LYS 62 -0.615 -5.748 0.906 452 1HB LYS 62 1HB LYS 62 -0.279 -6.097 3.266 453 2HB LYS 62 2HB LYS 62 -2.010 -6.216 3.548 454 1HG LYS 62 1HG LYS 62 -2.144 -8.342 2.649 455 2HG LYS 62 2HG LYS 62 -0.646 -8.157 1.735 456 1HD LYS 62 1HD LYS 62 0.403 -7.924 4.138 457 2HD LYS 62 2HD LYS 62 -1.049 -8.810 4.613 458 1HE LYS 62 2HE LYS 62 0.604 -9.788 2.327 459 2HE LYS 62 1HE LYS 62 1.130 -10.100 3.982 460 1HZ LYS 62 1HZ LYS 62 -0.425 -11.747 2.701 461 2HZ LYS 62 2HZ LYS 62 -1.635 -10.713 3.255 462 H ASN 63 H ASN 63 -3.883 -4.983 1.801 463 HA ASN 63 HA ASN 63 -5.179 -7.175 0.543 464 1HB ASN 63 1HB ASN 63 -6.088 -5.355 2.226 465 2HB ASN 63 2HB ASN 63 -6.467 -4.479 0.746 466 1HD2 ASN 63 2HD2 ASN 63 -8.654 -4.621 0.909 467 2HD2 ASN 63 1HD2 ASN 63 -9.529 -6.106 0.786 468 H LEU 64 H LEU 64 -3.885 -4.113 -0.526 469 HA LEU 64 HA LEU 64 -5.060 -3.683 -2.969 470 1HB LEU 64 2HB LEU 64 -3.162 -2.297 -2.112 471 2HB LEU 64 1HB LEU 64 -2.073 -3.612 -2.484 472 HG LEU 64 HG LEU 64 -3.350 -3.214 -4.878 473 1HD1 LEU 64 1HD1 LEU 64 -4.397 -1.216 -4.618 474 2HD1 LEU 64 2HD1 LEU 64 -2.795 -0.632 -5.076 475 3HD1 LEU 64 3HD1 LEU 64 -3.262 -0.664 -3.379 476 1HD2 LEU 64 1HD2 LEU 64 -0.780 -1.830 -4.147 477 2HD2 LEU 64 2HD2 LEU 64 -1.261 -2.510 -5.696 478 3HD2 LEU 64 3HD2 LEU 64 -0.879 -3.578 -4.347 479 H LEU 65 H LEU 65 -2.128 -5.563 -2.483 480 HA LEU 65 HA LEU 65 -2.249 -6.670 -5.107 481 1HB LEU 65 2HB LEU 65 -0.113 -6.347 -4.097 482 2HB LEU 65 1HB LEU 65 -0.554 -7.309 -2.700 483 HG LEU 65 HG LEU 65 -0.756 -8.850 -5.149 484 1HD1 LEU 65 1HD1 LEU 65 0.975 -7.509 -6.050 485 2HD1 LEU 65 2HD1 LEU 65 1.738 -8.986 -5.461 486 3HD1 LEU 65 3HD1 LEU 65 1.856 -7.499 -4.523 487 1HD2 LEU 65 1HD2 LEU 65 0.323 -9.070 -2.418 488 2HD2 LEU 65 2HD2 LEU 65 1.124 -10.052 -3.644 489 3HD2 LEU 65 3HD2 LEU 65 -0.610 -10.225 -3.370 490 H LYS 66 H LYS 66 -3.235 -7.865 -1.955 491 HA LYS 66 HA LYS 66 -3.579 -10.572 -2.786 492 1HB LYS 66 1HB LYS 66 -3.841 -9.045 -0.356 493 2HB LYS 66 2HB LYS 66 -5.239 -10.092 -0.563 494 1HG LYS 66 2HG LYS 66 -2.496 -11.205 -0.923 495 2HG LYS 66 1HG LYS 66 -3.140 -10.951 0.700 496 1HD LYS 66 2HD LYS 66 -5.233 -12.203 -0.328 497 2HD LYS 66 1HD LYS 66 -4.002 -12.855 -1.414 498 1HE LYS 66 2HE LYS 66 -2.841 -13.888 0.319 499 2HE LYS 66 1HE LYS 66 -3.593 -12.876 1.552 500 1HZ LYS 66 1HZ LYS 66 -5.475 -14.447 0.066 501 2HZ LYS 66 2HZ LYS 66 -5.314 -14.246 1.732 502 H ALA 67 H ALA 67 -5.755 -7.825 -2.422 503 HA ALA 67 HA ALA 67 -8.072 -9.355 -3.174 504 1HB ALA 67 1HB ALA 67 -8.008 -6.371 -3.010 505 2HB ALA 67 2HB ALA 67 -7.973 -7.360 -1.551 506 3HB ALA 67 3HB ALA 67 -9.337 -7.478 -2.663 507 H VAL 68 H VAL 68 -5.653 -7.591 -4.824 508 HA VAL 68 HA VAL 68 -7.343 -7.081 -7.124 509 HB VAL 68 HB VAL 68 -5.599 -5.462 -6.384 510 1HG1 VAL 68 1HG2 VAL 68 -3.517 -7.055 -7.776 511 2HG1 VAL 68 2HG2 VAL 68 -3.914 -7.491 -6.116 512 3HG1 VAL 68 3HG2 VAL 68 -3.356 -5.860 -6.487 513 1HG2 VAL 68 1HG1 VAL 68 -4.619 -5.339 -8.853 514 2HG2 VAL 68 2HG1 VAL 68 -6.297 -4.941 -8.486 515 3HG2 VAL 68 3HG1 VAL 68 -5.890 -6.528 -9.134 516 H SER 69 H SER 69 -5.011 -9.399 -6.031 517 HA SER 69 HA SER 69 -4.587 -10.532 -8.664 518 1HB SER 69 1HB SER 69 -2.650 -10.768 -7.421 519 2HB SER 69 2HB SER 69 -3.526 -11.055 -5.917 520 HG SER 69 HG SER 69 -3.405 -12.881 -8.086 521 H LYS 70 H LYS 70 -6.283 -11.360 -5.678 522 HA LYS 70 HA LYS 70 -8.235 -12.891 -7.063 523 1HB LYS 70 1HB LYS 70 -7.524 -14.961 -5.461 524 2HB LYS 70 2HB LYS 70 -7.077 -14.827 -7.155 525 1HG LYS 70 2HG LYS 70 -4.896 -14.232 -6.674 526 2HG LYS 70 1HG LYS 70 -5.299 -13.677 -5.047 527 1HD LYS 70 2HD LYS 70 -4.092 -15.753 -4.887 528 2HD LYS 70 1HD LYS 70 -5.770 -16.029 -4.415 529 1HE LYS 70 1HE LYS 70 -6.023 -17.554 -6.008 530 2HE LYS 70 2HE LYS 70 -5.474 -16.419 -7.240 531 1HZ LYS 70 1HZ LYS 70 -3.474 -17.689 -5.526 532 2HZ LYS 70 2HZ LYS 70 -3.346 -17.173 -7.125 Start of MODEL 3 1 H VAL 7 H VAL 7 16.871 3.121 -1.428 2 HA VAL 7 HA VAL 7 15.625 1.500 -3.539 3 HB VAL 7 HB VAL 7 15.037 0.314 -1.560 4 1HG1 VAL 7 1HG2 VAL 7 14.024 1.380 0.397 5 2HG1 VAL 7 2HG2 VAL 7 14.209 2.959 -0.369 6 3HG1 VAL 7 3HG2 VAL 7 15.635 2.022 0.074 7 1HG2 VAL 7 1HG1 VAL 7 12.511 1.711 -1.548 8 2HG2 VAL 7 2HG1 VAL 7 12.906 0.097 -2.137 9 3HG2 VAL 7 3HG1 VAL 7 13.123 1.500 -3.188 10 H ARG 8 H ARG 8 14.055 2.514 -4.710 11 HA ARG 8 HA ARG 8 12.831 4.959 -3.849 12 1HB ARG 8 2HB ARG 8 14.868 5.013 -6.083 13 2HB ARG 8 1HB ARG 8 13.694 6.291 -5.797 14 1HG ARG 8 1HG ARG 8 14.663 6.538 -3.500 15 2HG ARG 8 2HG ARG 8 15.941 5.425 -3.994 16 1HD ARG 8 2HD ARG 8 16.446 7.908 -4.188 17 2HD ARG 8 1HD ARG 8 16.765 6.917 -5.610 18 1HH1 ARG 8 2HH1 ARG 8 17.512 8.773 -6.231 19 2HH1 ARG 8 1HH1 ARG 8 17.183 10.036 -7.371 20 1HH2 ARG 8 1HH2 ARG 8 13.709 9.705 -7.170 21 2HH2 ARG 8 2HH2 ARG 8 15.020 10.566 -7.905 22 H CYS 9 H CYS 9 10.813 4.803 -4.573 23 HA CYS 9 HA CYS 9 10.169 2.946 -6.666 24 1HB CYS 9 2HB CYS 9 8.244 4.883 -5.394 25 2HB CYS 9 1HB CYS 9 7.900 3.316 -6.125 26 H THR 10 H THR 10 8.020 4.094 -7.899 27 HA THR 10 HA THR 10 9.273 6.206 -9.511 28 HB THR 10 HB THR 10 8.276 5.253 -11.432 29 HG1 THR 10 HG1 THR 10 6.394 4.386 -11.252 30 1HG2 THR 10 1HG2 THR 10 8.701 2.595 -10.580 31 2HG2 THR 10 2HG2 THR 10 9.907 3.624 -9.806 32 3HG2 THR 10 3HG2 THR 10 9.747 3.620 -11.562 33 H CYS 11 H CYS 11 6.311 5.022 -8.042 34 HA CYS 11 HA CYS 11 4.670 7.162 -9.007 35 1HB CYS 11 2HB CYS 11 4.087 5.417 -6.616 36 2HB CYS 11 1HB CYS 11 2.936 6.225 -7.676 37 H ILE 12 H ILE 12 5.522 9.125 -8.435 38 HA ILE 12 HA ILE 12 6.752 9.894 -6.114 39 HB ILE 12 HB ILE 12 4.792 11.630 -7.610 40 1HG1 ILE 12 1HG1 ILE 12 7.440 12.137 -8.453 41 2HG1 ILE 12 2HG1 ILE 12 7.234 10.389 -8.504 42 1HG2 ILE 12 1HG2 ILE 12 6.706 12.082 -5.470 43 2HG2 ILE 12 2HG2 ILE 12 5.388 13.102 -6.045 44 3HG2 ILE 12 3HG2 ILE 12 6.957 13.153 -6.849 45 1HD1 ILE 12 1HD1 ILE 12 5.029 11.944 -9.660 46 2HD1 ILE 12 2HD1 ILE 12 5.820 10.478 -10.239 47 3HD1 ILE 12 3HD1 ILE 12 6.572 12.050 -10.510 48 H SER 13 H SER 13 3.383 9.238 -6.616 49 HA SER 13 HA SER 13 2.847 10.018 -3.825 50 1HB SER 13 1HB SER 13 0.572 9.841 -5.729 51 2HB SER 13 2HB SER 13 0.837 10.957 -4.390 52 HG SER 13 HG SER 13 0.989 11.930 -6.499 53 H ILE 14 H ILE 14 1.767 8.588 -2.536 54 HA ILE 14 HA ILE 14 0.988 6.017 -3.737 55 HB ILE 14 HB ILE 14 1.808 4.879 -1.677 56 1HG1 ILE 14 1HG1 ILE 14 3.769 6.442 -0.654 57 2HG1 ILE 14 2HG1 ILE 14 2.563 7.668 -1.028 58 1HG2 ILE 14 1HG2 ILE 14 3.816 6.330 -3.389 59 2HG2 ILE 14 2HG2 ILE 14 3.123 4.732 -3.665 60 3HG2 ILE 14 3HG2 ILE 14 4.218 4.995 -2.309 61 1HD1 ILE 14 1HD1 ILE 14 2.267 6.986 1.229 62 2HD1 ILE 14 2HD1 ILE 14 2.234 5.284 0.766 63 3HD1 ILE 14 3HD1 ILE 14 0.916 6.354 0.286 64 H SER 15 H SER 15 -0.638 4.840 -2.580 65 HA SER 15 HA SER 15 -2.345 6.607 -0.966 66 1HB SER 15 2HB SER 15 -3.203 5.691 -3.183 67 2HB SER 15 1HB SER 15 -3.232 4.106 -2.409 68 HG SER 15 HG SER 15 -4.522 6.337 -1.255 69 H ASN 16 H ASN 16 -1.379 6.155 1.031 70 HA ASN 16 HA ASN 16 -1.872 3.431 2.040 71 1HB ASN 16 1HB ASN 16 -0.076 3.905 3.717 72 2HB ASN 16 2HB ASN 16 0.503 3.846 2.055 73 1HD2 ASN 16 1HD2 ASN 16 1.942 5.052 4.066 74 2HD2 ASN 16 2HD2 ASN 16 1.992 6.757 3.791 75 H GLN 17 H GLN 17 -3.557 5.944 1.931 76 HA GLN 17 HA GLN 17 -3.977 6.373 4.804 77 1HB GLN 17 2HB GLN 17 -4.666 8.487 4.342 78 2HB GLN 17 1HB GLN 17 -3.668 8.239 2.923 79 1HG GLN 17 1HG GLN 17 -5.606 7.729 1.589 80 2HG GLN 17 2HG GLN 17 -6.648 7.852 3.006 81 1HE2 GLN 17 1HE2 GLN 17 -7.896 9.514 2.297 82 2HE2 GLN 17 2HE2 GLN 17 -7.303 11.115 2.037 83 HA PRO 18 HA PRO 18 -7.963 4.633 5.426 84 1HB PRO 18 2HB PRO 18 -9.269 7.131 4.400 85 2HB PRO 18 1HB PRO 18 -9.719 6.121 5.781 86 1HG PRO 18 1HG PRO 18 -8.337 8.365 6.149 87 2HG PRO 18 2HG PRO 18 -7.977 6.913 7.095 88 1HD PRO 18 2HD PRO 18 -6.444 8.175 4.912 89 2HD PRO 18 1HD PRO 18 -5.869 7.151 6.237 90 H VAL 19 H VAL 19 -7.537 6.276 2.337 91 HA VAL 19 HA VAL 19 -9.561 4.658 1.064 92 HB VAL 19 HB VAL 19 -8.589 5.737 -1.064 93 1HG1 VAL 19 1HG2 VAL 19 -10.630 6.587 -0.533 94 2HG1 VAL 19 2HG2 VAL 19 -9.653 8.020 -0.209 95 3HG1 VAL 19 3HG2 VAL 19 -10.159 6.980 1.123 96 1HG2 VAL 19 1HG1 VAL 19 -7.473 7.733 0.872 97 2HG2 VAL 19 2HG1 VAL 19 -7.194 7.595 -0.864 98 3HG2 VAL 19 3HG1 VAL 19 -6.484 6.417 0.241 99 H ASN 20 H ASN 20 -8.029 2.861 2.105 100 HA ASN 20 HA ASN 20 -5.841 2.000 0.503 101 1HB ASN 20 2HB ASN 20 -7.559 0.319 2.351 102 2HB ASN 20 1HB ASN 20 -5.897 0.013 1.874 103 1HD2 ASN 20 1HD2 ASN 20 -4.461 2.042 2.276 104 2HD2 ASN 20 2HD2 ASN 20 -4.566 2.667 3.885 105 HA PRO 21 HA PRO 21 -7.586 -0.354 -2.766 106 1HB PRO 21 1HB PRO 21 -7.315 -3.006 -1.453 107 2HB PRO 21 2HB PRO 21 -6.759 -2.459 -3.052 108 1HG PRO 21 2HG PRO 21 -5.031 -2.687 -1.041 109 2HG PRO 21 1HG PRO 21 -4.937 -1.307 -2.142 110 1HD PRO 21 1HD PRO 21 -6.056 -1.482 0.626 111 2HD PRO 21 2HD PRO 21 -5.033 -0.221 -0.097 112 H ARG 22 H ARG 22 -9.099 -0.719 0.310 113 HA ARG 22 HA ARG 22 -11.374 -2.219 -0.201 114 1HB ARG 22 1HB ARG 22 -10.717 0.091 1.500 115 2HB ARG 22 2HB ARG 22 -12.417 -0.014 1.063 116 1HG ARG 22 1HG ARG 22 -12.509 -2.286 1.954 117 2HG ARG 22 2HG ARG 22 -10.803 -2.182 2.391 118 1HD ARG 22 1HD ARG 22 -11.725 0.034 3.599 119 2HD ARG 22 2HD ARG 22 -13.171 -0.971 3.671 120 1HH1 ARG 22 1HH1 ARG 22 -13.646 -2.837 3.981 121 2HH1 ARG 22 2HH1 ARG 22 -13.619 -4.099 5.166 122 1HH2 ARG 22 2HH2 ARG 22 -10.657 -3.013 6.674 123 2HH2 ARG 22 1HH2 ARG 22 -11.918 -4.199 6.698 124 H SER 23 H SER 23 -10.331 0.860 -1.351 125 HA SER 23 HA SER 23 -12.580 1.056 -3.225 126 1HB SER 23 2HB SER 23 -10.396 3.114 -2.888 127 2HB SER 23 1HB SER 23 -12.017 3.337 -3.535 128 HG SER 23 HG SER 23 -12.399 2.528 -1.094 129 H LEU 24 H LEU 24 -11.947 -0.561 -4.644 130 HA LEU 24 HA LEU 24 -9.396 -0.161 -6.082 131 1HB LEU 24 2HB LEU 24 -8.737 -1.762 -4.462 132 2HB LEU 24 1HB LEU 24 -10.203 -2.696 -4.677 133 HG LEU 24 HG LEU 24 -8.779 -2.555 -7.173 134 1HD1 LEU 24 1HD2 LEU 24 -6.943 -2.325 -5.226 135 2HD1 LEU 24 2HD2 LEU 24 -6.660 -3.225 -6.716 136 3HD1 LEU 24 3HD2 LEU 24 -7.130 -4.078 -5.246 137 1HD2 LEU 24 1HD1 LEU 24 -8.803 -5.038 -6.861 138 2HD2 LEU 24 2HD1 LEU 24 -10.380 -4.255 -6.741 139 3HD2 LEU 24 3HD1 LEU 24 -9.534 -4.765 -5.280 140 H GLU 25 H GLU 25 -9.523 -0.643 -8.252 141 HA GLU 25 HA GLU 25 -11.861 -2.131 -9.206 142 1HB GLU 25 1HB GLU 25 -12.193 0.517 -9.044 143 2HB GLU 25 2HB GLU 25 -11.391 0.458 -10.603 144 1HG GLU 25 1HG GLU 25 -13.091 -0.868 -11.543 145 2HG GLU 25 2HG GLU 25 -13.792 -1.219 -9.964 146 H LYS 26 H LYS 26 -9.555 0.067 -10.778 147 HA LYS 26 HA LYS 26 -8.817 -2.133 -12.577 148 1HB LYS 26 2HB LYS 26 -8.007 0.676 -13.159 149 2HB LYS 26 1HB LYS 26 -8.444 -0.614 -14.268 150 1HG LYS 26 2HG LYS 26 -10.482 0.713 -12.510 151 2HG LYS 26 1HG LYS 26 -10.027 1.368 -14.086 152 1HD LYS 26 2HD LYS 26 -10.489 -1.355 -14.520 153 2HD LYS 26 1HD LYS 26 -11.790 -0.823 -13.452 154 1HE LYS 26 2HE LYS 26 -12.407 0.924 -14.983 155 2HE LYS 26 1HE LYS 26 -11.013 0.578 -16.004 156 1HZ LYS 26 1HZ LYS 26 -13.556 -0.531 -16.144 157 2HZ LYS 26 2HZ LYS 26 -12.524 -1.766 -15.650 158 1HN MLE 27 1HM LEM 27 -6.714 -4.223 -10.757 159 2HN MLE 27 2HM LEM 27 -7.758 -3.607 -12.033 160 3HN MLE 27 3HM LEM 27 -8.229 -3.426 -10.344 161 HA MLE 27 HA LEM 27 -5.087 -1.220 -10.400 162 1HB MLE 27 1HB LEM 27 -5.089 -3.483 -8.650 163 2HB MLE 27 2HB LEM 27 -6.696 -2.783 -8.675 164 HG MLE 27 HG LEM 27 -4.600 -0.786 -8.398 165 1HD1 MLE 27 1HD1 LEM 27 -7.286 -1.372 -7.446 166 2HD1 MLE 27 2HD1 LEM 27 -6.504 0.176 -7.749 167 3HD1 MLE 27 3HD1 LEM 27 -6.244 -0.658 -6.216 168 1HD2 MLE 27 1HD2 LEM 27 -3.927 -3.061 -7.154 169 2HD2 MLE 27 2HD2 LEM 27 -4.937 -2.315 -5.922 170 3HD2 MLE 27 3HD2 LEM 27 -3.531 -1.455 -6.553 171 H GLU 28 H GLU 28 -3.609 -1.604 -11.909 172 HA GLU 28 HA GLU 28 -2.946 -4.328 -12.681 173 1HB GLU 28 1HB GLU 28 -3.135 -2.765 -14.481 174 2HB GLU 28 2HB GLU 28 -2.006 -1.687 -13.693 175 1HG GLU 28 1HG GLU 28 -0.618 -2.617 -15.205 176 2HG GLU 28 2HG GLU 28 -0.398 -3.755 -13.879 177 H ILE 29 H ILE 29 -1.682 -5.353 -11.240 178 HA ILE 29 HA ILE 29 0.302 -3.864 -9.752 179 HB ILE 29 HB ILE 29 0.531 -5.743 -8.352 180 1HG1 ILE 29 1HG1 ILE 29 -0.795 -7.903 -9.034 181 2HG1 ILE 29 2HG1 ILE 29 -0.616 -7.272 -10.668 182 1HG2 ILE 29 1HG2 ILE 29 -1.499 -5.590 -7.424 183 2HG2 ILE 29 2HG2 ILE 29 -2.299 -6.253 -8.849 184 3HG2 ILE 29 3HG2 ILE 29 -1.889 -4.540 -8.788 185 1HD1 ILE 29 1HD1 ILE 29 1.290 -8.648 -9.011 186 2HD1 ILE 29 2HD1 ILE 29 1.924 -7.094 -9.555 187 3HD1 ILE 29 3HD1 ILE 29 1.353 -8.275 -10.734 188 H ILE 30 H ILE 30 2.454 -4.029 -9.880 189 HA ILE 30 HA ILE 30 3.619 -5.793 -11.919 190 HB ILE 30 HB ILE 30 5.090 -3.305 -11.466 191 1HG1 ILE 30 2HG1 ILE 30 2.865 -2.340 -11.511 192 2HG1 ILE 30 1HG1 ILE 30 3.661 -2.047 -13.045 193 1HG2 ILE 30 1HG2 ILE 30 4.578 -3.765 -14.185 194 2HG2 ILE 30 2HG2 ILE 30 4.792 -5.353 -13.453 195 3HG2 ILE 30 3HG2 ILE 30 6.052 -4.130 -13.290 196 1HD1 ILE 30 1HD1 ILE 30 2.228 -4.471 -13.258 197 2HD1 ILE 30 2HD1 ILE 30 1.979 -2.956 -14.125 198 3HD1 ILE 30 3HD1 ILE 30 1.161 -3.237 -12.590 199 HA PRO 31 HA PRO 31 6.373 -6.744 -8.558 200 1HB PRO 31 1HB PRO 31 8.350 -8.005 -9.860 201 2HB PRO 31 2HB PRO 31 6.711 -8.658 -9.803 202 1HG PRO 31 1HG PRO 31 8.152 -7.375 -12.041 203 2HG PRO 31 2HG PRO 31 6.818 -8.539 -12.081 204 1HD PRO 31 1HD PRO 31 6.688 -5.692 -12.369 205 2HD PRO 31 2HD PRO 31 5.345 -6.853 -12.386 206 H ALA 32 H ALA 32 7.135 -4.811 -7.685 207 HA ALA 32 HA ALA 32 9.422 -3.505 -8.931 208 1HB ALA 32 1HB ALA 32 7.977 -2.764 -6.397 209 2HB ALA 32 2HB ALA 32 7.591 -2.135 -8.000 210 3HB ALA 32 3HB ALA 32 9.158 -1.786 -7.265 211 H SER 33 H SER 33 11.467 -3.690 -8.246 212 HA SER 33 HA SER 33 12.176 -4.517 -5.612 213 1HB SER 33 2HB SER 33 11.564 -6.654 -7.115 214 2HB SER 33 1HB SER 33 13.238 -6.435 -7.624 215 HG SER 33 HG SER 33 13.437 -7.671 -5.867 216 H GLN 34 H GLN 34 13.289 -4.360 -8.972 217 HA GLN 34 HA GLN 34 15.977 -3.965 -8.623 218 1HB GLN 34 1HB GLN 34 15.807 -2.519 -10.728 219 2HB GLN 34 2HB GLN 34 15.201 -4.166 -10.838 220 1HG GLN 34 1HG GLN 34 13.066 -2.489 -10.009 221 2HG GLN 34 2HG GLN 34 13.854 -1.744 -11.399 222 1HE2 GLN 34 1HE2 GLN 34 11.711 -4.128 -10.343 223 2HE2 GLN 34 2HE2 GLN 34 11.473 -4.933 -11.853 224 H PHE 35 H PHE 35 13.386 -1.778 -7.906 225 HA PHE 35 HA PHE 35 15.362 0.174 -6.950 226 1HB PHE 35 1HB PHE 35 13.554 0.579 -9.079 227 2HB PHE 35 2HB PHE 35 12.920 1.493 -7.715 228 HD1 PHE 35 HD1 PHE 35 15.674 2.055 -6.465 229 HD2 PHE 35 HD2 PHE 35 14.138 2.460 -10.413 230 HE1 PHE 35 HE1 PHE 35 17.299 3.848 -6.908 231 HE2 PHE 35 HE2 PHE 35 15.760 4.255 -10.864 232 HZ PHE 35 HZ PHE 35 17.344 4.951 -9.110 233 H CYS 36 H CYS 36 11.910 -0.723 -6.815 234 HA CYS 36 HA CYS 36 12.007 -0.197 -3.926 235 1HB CYS 36 1HB CYS 36 10.443 1.164 -5.860 236 2HB CYS 36 2HB CYS 36 9.344 0.169 -4.916 237 HA PRO 37 HA PRO 37 10.792 -4.572 -4.268 238 1HB PRO 37 2HB PRO 37 11.427 -4.357 -1.371 239 2HB PRO 37 1HB PRO 37 11.947 -5.565 -2.554 240 1HG PRO 37 1HG PRO 37 13.677 -3.743 -1.790 241 2HG PRO 37 2HG PRO 37 13.514 -4.101 -3.526 242 1HD PRO 37 2HD PRO 37 12.298 -1.833 -1.967 243 2HD PRO 37 1HD PRO 37 13.239 -1.768 -3.475 244 H ARG 38 H ARG 38 8.661 -3.317 -4.558 245 HA ARG 38 HA ARG 38 6.836 -4.216 -2.474 246 1HB ARG 38 1HB ARG 38 6.461 -1.436 -3.553 247 2HB ARG 38 2HB ARG 38 5.751 -2.166 -2.122 248 1HG ARG 38 1HG ARG 38 8.697 -1.698 -2.246 249 2HG ARG 38 2HG ARG 38 7.598 -0.372 -1.877 250 1HD ARG 38 2HD ARG 38 6.602 -2.057 -0.151 251 2HD ARG 38 1HD ARG 38 8.169 -2.847 -0.311 252 1HH1 ARG 38 2HH2 ARG 38 10.059 -2.163 -0.674 253 2HH1 ARG 38 1HH2 ARG 38 11.375 -1.342 0.098 254 1HH2 ARG 38 2HH1 ARG 38 9.327 0.693 2.068 255 2HH2 ARG 38 1HH1 ARG 38 10.958 0.282 1.656 256 H VAL 39 H VAL 39 4.552 -2.900 -3.616 257 HA VAL 39 HA VAL 39 4.409 -4.381 -6.142 258 HB VAL 39 HB VAL 39 1.930 -3.263 -4.893 259 1HG1 VAL 39 1HG1 VAL 39 2.202 -4.523 -7.147 260 2HG1 VAL 39 2HG1 VAL 39 0.865 -4.936 -6.073 261 3HG1 VAL 39 3HG1 VAL 39 2.298 -5.962 -6.130 262 1HG2 VAL 39 1HG2 VAL 39 3.145 -5.885 -4.016 263 2HG2 VAL 39 2HG2 VAL 39 1.687 -5.109 -3.400 264 3HG2 VAL 39 3HG2 VAL 39 3.270 -4.400 -3.075 265 H GLU 40 H GLU 40 4.459 -3.307 -7.983 266 HA GLU 40 HA GLU 40 4.119 -0.409 -7.992 267 1HB GLU 40 1HB GLU 40 5.352 -2.417 -9.773 268 2HB GLU 40 2HB GLU 40 4.460 -1.157 -10.618 269 1HG GLU 40 1HG GLU 40 6.513 -0.514 -8.530 270 2HG GLU 40 2HG GLU 40 6.940 -0.781 -10.221 271 H ILE 41 H ILE 41 2.143 0.466 -8.435 272 HA ILE 41 HA ILE 41 0.277 -1.182 -9.956 273 HB ILE 41 HB ILE 41 0.362 -1.506 -7.325 274 1HG1 ILE 41 1HG1 ILE 41 -1.003 -2.813 -8.796 275 2HG1 ILE 41 2HG1 ILE 41 -2.005 -2.257 -7.459 276 1HG2 ILE 41 1HG2 ILE 41 -1.632 0.726 -7.627 277 2HG2 ILE 41 2HG2 ILE 41 -0.139 0.768 -6.693 278 3HG2 ILE 41 3HG2 ILE 41 -1.454 -0.299 -6.203 279 1HD1 ILE 41 1HD1 ILE 41 -2.005 -1.365 -10.304 280 2HD1 ILE 41 2HD1 ILE 41 -2.667 -0.345 -9.028 281 3HD1 ILE 41 3HD1 ILE 41 -3.326 -1.949 -9.311 282 H ILE 42 H ILE 42 -0.928 -0.106 -11.292 283 HA ILE 42 HA ILE 42 -1.393 2.766 -10.889 284 HB ILE 42 HB ILE 42 -2.235 1.133 -13.282 285 1HG1 ILE 42 2HG1 ILE 42 0.210 1.003 -13.068 286 2HG1 ILE 42 1HG1 ILE 42 -0.243 2.020 -14.433 287 1HG2 ILE 42 1HG2 ILE 42 -2.508 3.888 -12.410 288 2HG2 ILE 42 2HG2 ILE 42 -3.349 3.021 -13.699 289 3HG2 ILE 42 3HG2 ILE 42 -1.779 3.760 -14.014 290 1HD1 ILE 42 1HD1 ILE 42 1.080 2.734 -11.889 291 2HD1 ILE 42 2HD1 ILE 42 -0.019 3.917 -12.599 292 3HD1 ILE 42 3HD1 ILE 42 1.361 3.328 -13.525 293 H ALA 43 H ALA 43 -2.841 2.589 -9.206 294 HA ALA 43 HA ALA 43 -5.047 0.745 -9.414 295 1HB ALA 43 1HB ALA 43 -4.027 0.717 -7.316 296 2HB ALA 43 2HB ALA 43 -5.495 1.657 -7.055 297 3HB ALA 43 3HB ALA 43 -3.948 2.478 -7.234 298 H THR 44 H THR 44 -6.979 1.172 -10.037 299 HA THR 44 HA THR 44 -7.994 3.925 -9.867 300 HB THR 44 HB THR 44 -8.888 1.651 -11.652 301 HG1 THR 44 HG1 THR 44 -7.039 3.038 -12.238 302 1HG2 THR 44 1HG2 THR 44 -10.822 2.953 -10.818 303 2HG2 THR 44 2HG2 THR 44 -10.572 3.076 -12.561 304 3HG2 THR 44 3HG2 THR 44 -10.086 4.401 -11.506 305 H MET 45 H MET 45 -9.485 4.229 -8.300 306 HA MET 45 HA MET 45 -10.117 1.945 -6.680 307 1HB MET 45 2HB MET 45 -10.998 4.786 -6.205 308 2HB MET 45 1HB MET 45 -10.802 3.505 -5.023 309 1HG MET 45 1HG MET 45 -8.702 5.100 -6.418 310 2HG MET 45 2HG MET 45 -8.982 4.894 -4.691 311 1HE MET 45 1HE MET 45 -5.524 3.212 -4.888 312 2HE MET 45 2HE MET 45 -6.568 4.339 -4.022 313 3HE MET 45 3HE MET 45 -6.062 4.696 -5.675 314 H LYS 46 H LYS 46 -11.903 0.833 -6.601 315 HA LYS 46 HA LYS 46 -14.343 1.832 -7.865 316 1HB LYS 46 2HB LYS 46 -13.504 -0.624 -8.133 317 2HB LYS 46 1HB LYS 46 -14.096 -0.836 -6.497 318 1HG LYS 46 1HG LYS 46 -16.323 -0.040 -7.272 319 2HG LYS 46 2HG LYS 46 -15.692 -0.048 -8.921 320 1HD LYS 46 1HD LYS 46 -15.176 -2.450 -8.679 321 2HD LYS 46 2HD LYS 46 -15.898 -2.421 -7.068 322 1HE LYS 46 2HE LYS 46 -17.971 -2.537 -7.887 323 2HE LYS 46 1HE LYS 46 -17.648 -1.295 -9.095 324 1HZ LYS 46 1HZ LYS 46 -16.271 -3.436 -10.009 325 2HZ LYS 46 2HZ LYS 46 -17.779 -2.928 -10.562 326 H LYS 47 H LYS 47 -15.105 3.283 -6.541 327 HA LYS 47 HA LYS 47 -16.353 2.788 -4.120 328 1HB LYS 47 2HB LYS 47 -13.881 2.498 -3.440 329 2HB LYS 47 1HB LYS 47 -13.745 4.229 -3.679 330 1HG LYS 47 2HG LYS 47 -14.146 3.340 -1.318 331 2HG LYS 47 1HG LYS 47 -15.115 4.708 -1.869 332 1HD LYS 47 2HD LYS 47 -17.043 3.486 -1.933 333 2HD LYS 47 1HD LYS 47 -16.203 1.981 -2.315 334 1HE LYS 47 2HE LYS 47 -16.523 1.418 -0.183 335 2HE LYS 47 1HE LYS 47 -15.280 2.607 0.207 336 1HZ LYS 47 1HZ LYS 47 -18.196 3.128 0.092 337 2HZ LYS 47 2HZ LYS 47 -17.294 2.931 1.501 338 H LYS 48 H LYS 48 -14.469 4.995 -6.033 339 HA LYS 48 HA LYS 48 -16.614 6.908 -6.145 340 1HB LYS 48 2HB LYS 48 -15.981 7.920 -4.253 341 2HB LYS 48 1HB LYS 48 -14.442 7.081 -4.222 342 1HG LYS 48 2HG LYS 48 -13.452 8.750 -5.641 343 2HG LYS 48 1HG LYS 48 -15.025 9.507 -5.896 344 1HD LYS 48 1HD LYS 48 -13.849 10.820 -4.283 345 2HD LYS 48 2HD LYS 48 -15.117 9.938 -3.429 346 1HE LYS 48 1HE LYS 48 -12.839 8.283 -3.430 347 2HE LYS 48 2HE LYS 48 -12.286 9.901 -3.002 348 1HZ LYS 48 1HZ LYS 48 -14.591 8.582 -1.698 349 2HZ LYS 48 2HZ LYS 48 -13.014 8.450 -1.117 350 H GLY 49 H GLY 49 -14.754 5.229 -7.882 351 1HA GLY 49 2HA GLY 49 -13.638 5.430 -9.877 352 2HA GLY 49 1HA GLY 49 -14.643 6.855 -10.112 353 H GLU 50 H GLU 50 -11.730 5.822 -8.344 354 HA GLU 50 HA GLU 50 -10.569 8.464 -8.962 355 1HB GLU 50 1HB GLU 50 -11.045 7.912 -6.514 356 2HB GLU 50 2HB GLU 50 -9.760 6.721 -6.638 357 1HG GLU 50 2HG GLU 50 -8.132 8.272 -6.624 358 2HG GLU 50 1HG GLU 50 -9.079 9.431 -7.557 359 H LYS 51 H LYS 51 -8.233 8.515 -9.236 360 HA LYS 51 HA LYS 51 -7.113 5.962 -10.190 361 1HB LYS 51 1HB LYS 51 -6.697 8.663 -11.487 362 2HB LYS 51 2HB LYS 51 -6.041 7.127 -12.038 363 1HG LYS 51 2HG LYS 51 -8.540 6.418 -12.175 364 2HG LYS 51 1HG LYS 51 -8.838 8.157 -12.189 365 1HD LYS 51 1HD LYS 51 -7.908 8.440 -14.248 366 2HD LYS 51 2HD LYS 51 -6.757 7.120 -14.029 367 1HE LYS 51 1HE LYS 51 -8.109 6.063 -15.492 368 2HE LYS 51 2HE LYS 51 -9.056 5.730 -14.042 369 1HZ LYS 51 1HZ LYS 51 -10.308 6.636 -15.992 370 2HZ LYS 51 2HZ LYS 51 -9.504 8.097 -15.759 371 H ARG 52 H ARG 52 -5.269 5.443 -9.221 372 HA ARG 52 HA ARG 52 -3.408 7.512 -8.373 373 1HB ARG 52 1HB ARG 52 -5.231 6.782 -6.555 374 2HB ARG 52 2HB ARG 52 -4.075 5.482 -6.301 375 1HG ARG 52 2HG ARG 52 -3.406 7.072 -4.767 376 2HG ARG 52 1HG ARG 52 -2.334 7.390 -6.133 377 1HD ARG 52 1HD ARG 52 -3.123 9.456 -6.353 378 2HD ARG 52 2HD ARG 52 -4.784 8.868 -6.414 379 1HH1 ARG 52 2HH1 ARG 52 -1.641 9.398 -4.979 380 2HH1 ARG 52 1HH1 ARG 52 -1.160 10.089 -3.467 381 1HH2 ARG 52 1HH2 ARG 52 -4.419 10.370 -2.230 382 2HH2 ARG 52 2HH2 ARG 52 -2.740 10.641 -1.902 383 H CYS 53 H CYS 53 -1.346 6.637 -7.640 384 HA CYS 53 HA CYS 53 -0.804 3.952 -8.737 385 1HB CYS 53 2HB CYS 53 0.263 5.875 -9.978 386 2HB CYS 53 1HB CYS 53 1.177 6.229 -8.515 387 H LEU 54 H LEU 54 -0.935 2.735 -6.914 388 HA LEU 54 HA LEU 54 0.226 3.693 -4.444 389 1HB LEU 54 2HB LEU 54 -0.934 0.961 -4.729 390 2HB LEU 54 1HB LEU 54 -0.982 2.055 -3.361 391 HG LEU 54 HG LEU 54 -2.686 2.079 -5.833 392 1HD1 LEU 54 1HD1 LEU 54 -4.072 2.582 -3.413 393 2HD1 LEU 54 2HD1 LEU 54 -3.002 1.205 -3.155 394 3HD1 LEU 54 3HD1 LEU 54 -4.175 1.175 -4.471 395 1HD2 LEU 54 1HD2 LEU 54 -2.410 4.325 -5.813 396 2HD2 LEU 54 2HD2 LEU 54 -1.889 4.358 -4.128 397 3HD2 LEU 54 3HD2 LEU 54 -3.604 4.218 -4.520 398 H ASN 55 H ASN 55 1.498 2.272 -3.089 399 HA ASN 55 HA ASN 55 3.201 0.341 -4.418 400 1HB ASN 55 1HB ASN 55 4.180 2.951 -3.287 401 2HB ASN 55 2HB ASN 55 5.212 1.524 -3.235 402 1HD2 ASN 55 2HD2 ASN 55 5.927 0.606 -5.177 403 2HD2 ASN 55 1HD2 ASN 55 5.925 1.503 -6.655 404 HA PRO 56 HA PRO 56 1.062 -0.945 -0.491 405 1HB PRO 56 1HB PRO 56 2.710 -3.155 -1.697 406 2HB PRO 56 2HB PRO 56 1.260 -3.305 -0.691 407 1HG PRO 56 1HG PRO 56 0.983 -3.295 -3.316 408 2HG PRO 56 2HG PRO 56 -0.117 -2.327 -2.328 409 1HD PRO 56 2HD PRO 56 2.071 -1.434 -4.113 410 2HD PRO 56 1HD PRO 56 0.638 -0.548 -3.553 411 H GLU 57 H GLU 57 2.092 0.276 0.971 412 HA GLU 57 HA GLU 57 4.215 -1.078 2.414 413 1HB GLU 57 2HB GLU 57 5.215 1.249 2.917 414 2HB GLU 57 1HB GLU 57 5.591 0.518 1.362 415 1HG GLU 57 1HG GLU 57 4.780 2.281 0.313 416 2HG GLU 57 2HG GLU 57 3.210 2.037 1.079 417 H SER 58 H SER 58 1.772 -1.402 3.121 418 HA SER 58 HA SER 58 1.346 0.090 5.539 419 1HB SER 58 2HB SER 58 -0.074 0.800 3.075 420 2HB SER 58 1HB SER 58 -1.174 0.380 4.386 421 HG SER 58 HG SER 58 -0.807 2.378 4.958 422 H LYS 59 H LYS 59 -1.306 -0.555 6.038 423 HA LYS 59 HA LYS 59 -1.124 -3.413 6.420 424 1HB LYS 59 1HB LYS 59 -3.184 -1.430 7.334 425 2HB LYS 59 2HB LYS 59 -3.159 -3.127 7.778 426 1HG LYS 59 1HG LYS 59 -0.622 -2.222 8.415 427 2HG LYS 59 2HG LYS 59 -1.691 -0.902 8.890 428 1HD LYS 59 2HD LYS 59 -2.077 -2.049 10.763 429 2HD LYS 59 1HD LYS 59 -3.008 -3.172 9.769 430 1HE LYS 59 1HE LYS 59 -0.385 -3.967 9.393 431 2HE LYS 59 2HE LYS 59 -0.456 -3.543 11.103 432 1HZ LYS 59 1HZ LYS 59 -1.501 -5.421 11.508 433 2HZ LYS 59 2HZ LYS 59 -2.747 -5.008 10.451 434 H ALA 60 H ALA 60 -4.090 -1.612 5.642 435 HA ALA 60 HA ALA 60 -5.366 -3.651 4.272 436 1HB ALA 60 1HB ALA 60 -6.392 -1.503 3.010 437 2HB ALA 60 2HB ALA 60 -5.670 -0.726 4.418 438 3HB ALA 60 3HB ALA 60 -6.864 -2.007 4.633 439 H ILE 61 H ILE 61 -2.918 -1.451 3.217 440 HA ILE 61 HA ILE 61 -3.094 -1.580 0.465 441 HB ILE 61 HB ILE 61 -1.325 -0.582 2.351 442 1HG1 ILE 61 1HG1 ILE 61 -1.833 0.751 0.530 443 2HG1 ILE 61 2HG1 ILE 61 -0.145 0.355 0.258 444 1HG2 ILE 61 1HG2 ILE 61 0.130 -2.423 2.417 445 2HG2 ILE 61 2HG2 ILE 61 0.912 -1.196 1.430 446 3HG2 ILE 61 3HG2 ILE 61 0.143 -2.573 0.661 447 1HD1 ILE 61 1HD1 ILE 61 -0.697 -0.303 -1.772 448 2HD1 ILE 61 2HD1 ILE 61 -2.416 -0.143 -1.412 449 3HD1 ILE 61 3HD1 ILE 61 -1.575 -1.648 -1.043 450 H LYS 62 H LYS 62 -1.806 -3.920 2.775 451 HA LYS 62 HA LYS 62 -0.589 -5.724 1.010 452 1HB LYS 62 2HB LYS 62 -2.092 -6.328 3.568 453 2HB LYS 62 1HB LYS 62 -0.983 -7.421 2.754 454 1HG LYS 62 1HG LYS 62 0.864 -5.922 3.176 455 2HG LYS 62 2HG LYS 62 -0.228 -4.740 3.897 456 1HD LYS 62 1HD LYS 62 -0.453 -5.918 5.831 457 2HD LYS 62 2HD LYS 62 -0.261 -7.479 5.029 458 1HE LYS 62 2HE LYS 62 1.934 -5.498 5.625 459 2HE LYS 62 1HE LYS 62 1.637 -7.010 6.481 460 1HZ LYS 62 1HZ LYS 62 2.734 -6.575 3.801 461 2HZ LYS 62 2HZ LYS 62 1.868 -7.991 4.093 462 H ASN 63 H ASN 63 -3.908 -5.074 1.810 463 HA ASN 63 HA ASN 63 -5.045 -7.362 0.535 464 1HB ASN 63 1HB ASN 63 -6.399 -4.697 0.970 465 2HB ASN 63 2HB ASN 63 -7.152 -6.284 0.838 466 1HD2 ASN 63 2HD2 ASN 63 -8.093 -6.569 2.744 467 2HD2 ASN 63 1HD2 ASN 63 -7.296 -6.474 4.274 468 H LEU 64 H LEU 64 -3.834 -4.292 -0.502 469 HA LEU 64 HA LEU 64 -5.112 -3.845 -2.894 470 1HB LEU 64 2HB LEU 64 -3.304 -2.364 -2.013 471 2HB LEU 64 1HB LEU 64 -2.127 -3.581 -2.452 472 HG LEU 64 HG LEU 64 -3.502 -3.174 -4.801 473 1HD1 LEU 64 1HD1 LEU 64 -3.095 -0.565 -4.913 474 2HD1 LEU 64 2HD1 LEU 64 -3.461 -0.679 -3.194 475 3HD1 LEU 64 3HD1 LEU 64 -4.638 -1.238 -4.386 476 1HD2 LEU 64 1HD2 LEU 64 -1.447 -2.726 -5.635 477 2HD2 LEU 64 2HD2 LEU 64 -0.910 -3.247 -4.039 478 3HD2 LEU 64 3HD2 LEU 64 -1.081 -1.528 -4.395 479 H LEU 65 H LEU 65 -2.007 -5.489 -2.596 480 HA LEU 65 HA LEU 65 -2.253 -6.579 -5.228 481 1HB LEU 65 2HB LEU 65 -0.072 -6.041 -4.407 482 2HB LEU 65 1HB LEU 65 -0.281 -7.066 -2.999 483 HG LEU 65 HG LEU 65 -0.231 -9.057 -4.425 484 1HD1 LEU 65 1HD2 LEU 65 -0.128 -9.036 -6.707 485 2HD1 LEU 65 2HD2 LEU 65 0.621 -7.441 -6.771 486 3HD1 LEU 65 3HD2 LEU 65 -1.103 -7.593 -6.433 487 1HD2 LEU 65 1HD1 LEU 65 1.905 -7.369 -3.807 488 2HD2 LEU 65 2HD1 LEU 65 2.182 -7.894 -5.468 489 3HD2 LEU 65 3HD1 LEU 65 1.974 -9.090 -4.188 490 H LYS 66 H LYS 66 -3.019 -7.785 -2.060 491 HA LYS 66 HA LYS 66 -3.109 -10.548 -2.841 492 1HB LYS 66 1HB LYS 66 -2.734 -9.581 -0.483 493 2HB LYS 66 2HB LYS 66 -4.480 -9.373 -0.436 494 1HG LYS 66 2HG LYS 66 -4.457 -11.423 0.461 495 2HG LYS 66 1HG LYS 66 -4.310 -11.954 -1.216 496 1HD LYS 66 2HD LYS 66 -1.735 -11.585 -0.726 497 2HD LYS 66 1HD LYS 66 -2.262 -11.859 0.936 498 1HE LYS 66 1HE LYS 66 -3.509 -13.814 -0.684 499 2HE LYS 66 2HE LYS 66 -1.805 -13.763 -1.135 500 1HZ LYS 66 1HZ LYS 66 -1.172 -14.144 1.107 501 2HZ LYS 66 2HZ LYS 66 -2.294 -15.324 0.676 502 H ALA 67 H ALA 67 -5.487 -7.998 -2.306 503 HA ALA 67 HA ALA 67 -7.708 -9.709 -2.937 504 1HB ALA 67 1HB ALA 67 -9.029 -8.085 -2.102 505 2HB ALA 67 2HB ALA 67 -8.120 -6.795 -2.889 506 3HB ALA 67 3HB ALA 67 -7.512 -7.521 -1.401 507 H VAL 68 H VAL 68 -5.605 -7.610 -4.669 508 HA VAL 68 HA VAL 68 -7.439 -7.280 -6.876 509 HB VAL 68 HB VAL 68 -5.772 -5.538 -6.193 510 1HG1 VAL 68 1HG2 VAL 68 -3.893 -7.343 -6.081 511 2HG1 VAL 68 2HG2 VAL 68 -3.509 -5.712 -6.633 512 3HG1 VAL 68 3HG2 VAL 68 -3.734 -7.014 -7.805 513 1HG2 VAL 68 1HG1 VAL 68 -6.487 -6.466 -8.850 514 2HG2 VAL 68 2HG1 VAL 68 -5.012 -5.500 -8.847 515 3HG2 VAL 68 3HG1 VAL 68 -6.503 -4.835 -8.180 516 H SER 69 H SER 69 -4.789 -9.345 -5.966 517 HA SER 69 HA SER 69 -4.584 -10.500 -8.633 518 1HB SER 69 2HB SER 69 -2.471 -10.284 -7.597 519 2HB SER 69 1HB SER 69 -3.067 -10.909 -6.059 520 HG SER 69 HG SER 69 -1.798 -12.408 -7.362 521 H LYS 70 H LYS 70 -5.818 -11.278 -5.444 522 HA LYS 70 HA LYS 70 -6.992 -13.736 -6.567 523 1HB LYS 70 1HB LYS 70 -5.310 -14.370 -4.961 524 2HB LYS 70 2HB LYS 70 -5.946 -13.237 -3.776 525 1HG LYS 70 1HG LYS 70 -8.004 -14.548 -3.627 526 2HG LYS 70 2HG LYS 70 -7.358 -15.689 -4.808 527 1HD LYS 70 1HD LYS 70 -6.282 -16.792 -3.209 528 2HD LYS 70 2HD LYS 70 -5.447 -15.317 -2.714 529 1HE LYS 70 2HE LYS 70 -7.895 -14.888 -1.650 530 2HE LYS 70 1HE LYS 70 -7.803 -16.646 -1.551 531 1HZ LYS 70 1HZ LYS 70 -5.620 -16.351 -0.447 532 2HZ LYS 70 2HZ LYS 70 -6.933 -15.780 0.442 Start of MODEL 4 1 H VAL 7 H VAL 7 16.959 2.555 -1.768 2 HA VAL 7 HA VAL 7 16.575 1.944 -4.488 3 HB VAL 7 HB VAL 7 15.191 -0.259 -3.738 4 1HG1 VAL 7 1HG1 VAL 7 18.018 -0.721 -4.477 5 2HG1 VAL 7 2HG1 VAL 7 17.047 0.289 -5.549 6 3HG1 VAL 7 3HG1 VAL 7 16.537 -1.360 -5.189 7 1HG2 VAL 7 1HG2 VAL 7 16.136 -1.511 -2.109 8 2HG2 VAL 7 2HG2 VAL 7 16.598 0.075 -1.488 9 3HG2 VAL 7 3HG2 VAL 7 17.755 -0.883 -2.413 10 H ARG 8 H ARG 8 14.756 2.959 -4.990 11 HA ARG 8 HA ARG 8 12.475 2.816 -3.164 12 1HB ARG 8 2HB ARG 8 13.978 5.254 -3.922 13 2HB ARG 8 1HB ARG 8 12.225 5.378 -3.989 14 1HG ARG 8 1HG ARG 8 12.174 4.519 -1.630 15 2HG ARG 8 2HG ARG 8 13.930 4.701 -1.608 16 1HD ARG 8 2HD ARG 8 12.199 6.996 -2.425 17 2HD ARG 8 1HD ARG 8 12.414 6.622 -0.717 18 1HH1 ARG 8 2HH2 ARG 8 13.835 6.092 0.503 19 2HH1 ARG 8 1HH2 ARG 8 15.338 6.604 1.195 20 1HH2 ARG 8 2HH1 ARG 8 16.349 8.415 -1.620 21 2HH2 ARG 8 1HH1 ARG 8 16.767 7.925 -0.011 22 H CYS 9 H CYS 9 10.582 4.136 -4.384 23 HA CYS 9 HA CYS 9 10.525 2.982 -7.086 24 1HB CYS 9 1HB CYS 9 7.923 3.743 -6.519 25 2HB CYS 9 2HB CYS 9 8.563 2.114 -6.457 26 H THR 10 H THR 10 8.557 4.359 -8.294 27 HA THR 10 HA THR 10 9.600 7.109 -8.306 28 HB THR 10 HB THR 10 9.219 7.150 -10.703 29 HG1 THR 10 HG1 THR 10 8.158 5.624 -11.729 30 1HG2 THR 10 1HG2 THR 10 11.210 6.264 -11.028 31 2HG2 THR 10 2HG2 THR 10 10.526 4.644 -10.912 32 3HG2 THR 10 3HG2 THR 10 11.107 5.461 -9.460 33 H CYS 11 H CYS 11 6.870 5.340 -7.580 34 HA CYS 11 HA CYS 11 4.929 7.211 -8.619 35 1HB CYS 11 2HB CYS 11 4.737 4.784 -6.839 36 2HB CYS 11 1HB CYS 11 3.351 5.829 -7.138 37 H ILE 12 H ILE 12 6.053 9.054 -7.562 38 HA ILE 12 HA ILE 12 6.378 9.502 -4.888 39 HB ILE 12 HB ILE 12 7.030 11.136 -6.575 40 1HG1 ILE 12 2HG1 ILE 12 6.437 13.156 -5.357 41 2HG1 ILE 12 1HG1 ILE 12 5.056 12.347 -4.624 42 1HG2 ILE 12 1HG2 ILE 12 4.126 11.898 -6.791 43 2HG2 ILE 12 2HG2 ILE 12 4.952 10.858 -7.952 44 3HG2 ILE 12 3HG2 ILE 12 5.482 12.526 -7.728 45 1HD1 ILE 12 1HD1 ILE 12 7.448 12.647 -3.433 46 2HD1 ILE 12 2HD1 ILE 12 7.650 11.055 -4.164 47 3HD1 ILE 12 3HD1 ILE 12 6.311 11.353 -3.058 48 H SER 13 H SER 13 3.376 9.369 -6.661 49 HA SER 13 HA SER 13 1.892 10.218 -4.275 50 1HB SER 13 2HB SER 13 1.514 10.649 -7.077 51 2HB SER 13 1HB SER 13 0.134 9.741 -6.462 52 HG SER 13 HG SER 13 0.871 12.337 -6.003 53 H ILE 14 H ILE 14 2.205 8.248 -3.130 54 HA ILE 14 HA ILE 14 0.947 5.860 -4.270 55 HB ILE 14 HB ILE 14 1.812 4.825 -2.054 56 1HG1 ILE 14 2HG1 ILE 14 3.670 7.203 -2.247 57 2HG1 ILE 14 1HG1 ILE 14 2.363 7.084 -1.073 58 1HG2 ILE 14 1HG2 ILE 14 3.936 4.319 -3.088 59 2HG2 ILE 14 2HG2 ILE 14 3.780 5.713 -4.157 60 3HG2 ILE 14 3HG2 ILE 14 2.670 4.352 -4.314 61 1HD1 ILE 14 1HD1 ILE 14 4.997 5.835 -1.088 62 2HD1 ILE 14 2HD1 ILE 14 3.679 4.736 -0.679 63 3HD1 ILE 14 3HD1 ILE 14 3.922 6.211 0.258 64 H SER 15 H SER 15 -0.571 4.621 -2.986 65 HA SER 15 HA SER 15 -2.289 6.383 -1.389 66 1HB SER 15 2HB SER 15 -3.439 5.421 -3.269 67 2HB SER 15 1HB SER 15 -2.875 3.803 -2.855 68 HG SER 15 HG SER 15 -5.097 4.420 -2.205 69 H ASN 16 H ASN 16 -1.830 6.256 0.707 70 HA ASN 16 HA ASN 16 -1.873 3.610 1.965 71 1HB ASN 16 1HB ASN 16 -0.093 4.632 3.594 72 2HB ASN 16 2HB ASN 16 0.424 3.913 2.072 73 1HD2 ASN 16 2HD2 ASN 16 1.950 5.044 1.142 74 2HD2 ASN 16 1HD2 ASN 16 2.084 6.767 1.123 75 H GLN 17 H GLN 17 -3.790 5.795 1.650 76 HA GLN 17 HA GLN 17 -4.155 6.574 4.464 77 1HB GLN 17 2HB GLN 17 -4.928 8.628 3.804 78 2HB GLN 17 1HB GLN 17 -3.833 8.288 2.479 79 1HG GLN 17 2HG GLN 17 -6.113 7.208 1.526 80 2HG GLN 17 1HG GLN 17 -6.748 8.545 2.483 81 1HE2 GLN 17 2HE2 GLN 17 -6.853 10.446 1.526 82 2HE2 GLN 17 1HE2 GLN 17 -5.969 10.928 0.121 83 HA PRO 18 HA PRO 18 -8.113 4.819 5.221 84 1HB PRO 18 2HB PRO 18 -9.455 7.265 4.123 85 2HB PRO 18 1HB PRO 18 -9.857 6.318 5.561 86 1HG PRO 18 1HG PRO 18 -8.485 8.583 5.788 87 2HG PRO 18 2HG PRO 18 -8.078 7.174 6.784 88 1HD PRO 18 2HD PRO 18 -6.638 8.343 4.478 89 2HD PRO 18 1HD PRO 18 -6.001 7.411 5.844 90 H VAL 19 H VAL 19 -7.752 6.326 2.060 91 HA VAL 19 HA VAL 19 -9.809 4.629 0.922 92 HB VAL 19 HB VAL 19 -8.945 5.678 -1.280 93 1HG1 VAL 19 1HG2 VAL 19 -10.642 6.726 0.858 94 2HG1 VAL 19 2HG2 VAL 19 -10.969 6.545 -0.867 95 3HG1 VAL 19 3HG2 VAL 19 -10.083 7.953 -0.280 96 1HG2 VAL 19 1HG1 VAL 19 -6.849 6.525 -0.143 97 2HG2 VAL 19 2HG1 VAL 19 -7.871 7.737 0.627 98 3HG2 VAL 19 3HG1 VAL 19 -7.726 7.694 -1.131 99 H ASN 20 H ASN 20 -8.210 2.915 1.942 100 HA ASN 20 HA ASN 20 -6.035 2.070 0.312 101 1HB ASN 20 2HB ASN 20 -7.646 0.374 2.234 102 2HB ASN 20 1HB ASN 20 -5.970 0.152 1.758 103 1HD2 ASN 20 1HD2 ASN 20 -4.537 2.051 2.198 104 2HD2 ASN 20 2HD2 ASN 20 -4.714 2.796 3.751 105 HA PRO 21 HA PRO 21 -7.801 -0.489 -2.800 106 1HB PRO 21 1HB PRO 21 -7.423 -3.074 -1.385 107 2HB PRO 21 2HB PRO 21 -6.910 -2.575 -3.012 108 1HG PRO 21 2HG PRO 21 -5.139 -2.671 -1.025 109 2HG PRO 21 1HG PRO 21 -5.106 -1.331 -2.177 110 1HD PRO 21 1HD PRO 21 -6.186 -1.432 0.609 111 2HD PRO 21 2HD PRO 21 -5.195 -0.180 -0.171 112 H ARG 22 H ARG 22 -9.209 -0.741 0.332 113 HA ARG 22 HA ARG 22 -11.465 -2.313 -0.031 114 1HB ARG 22 2HB ARG 22 -11.091 0.350 1.333 115 2HB ARG 22 1HB ARG 22 -12.653 -0.456 1.310 116 1HG ARG 22 1HG ARG 22 -11.732 -2.360 2.471 117 2HG ARG 22 2HG ARG 22 -10.117 -1.651 2.408 118 1HD ARG 22 1HD ARG 22 -10.806 0.166 3.828 119 2HD ARG 22 2HD ARG 22 -12.479 -0.389 3.793 120 1HH1 ARG 22 2HH2 ARG 22 -12.084 0.670 5.709 121 2HH1 ARG 22 1HH2 ARG 22 -12.049 0.319 7.404 122 1HH2 ARG 22 2HH1 ARG 22 -10.784 -2.916 7.004 123 2HH2 ARG 22 1HH1 ARG 22 -11.309 -1.719 8.141 124 H SER 23 H SER 23 -10.524 0.729 -1.360 125 HA SER 23 HA SER 23 -12.816 0.745 -3.197 126 1HB SER 23 2HB SER 23 -10.748 2.927 -2.796 127 2HB SER 23 1HB SER 23 -12.253 3.039 -3.704 128 HG SER 23 HG SER 23 -11.857 2.957 -0.920 129 H LEU 24 H LEU 24 -12.198 -0.704 -4.749 130 HA LEU 24 HA LEU 24 -9.577 -0.270 -6.029 131 1HB LEU 24 2HB LEU 24 -9.166 -2.078 -4.473 132 2HB LEU 24 1HB LEU 24 -10.534 -2.972 -5.106 133 HG LEU 24 HG LEU 24 -8.394 -2.214 -7.030 134 1HD1 LEU 24 1HD2 LEU 24 -6.833 -3.797 -6.382 135 2HD1 LEU 24 2HD2 LEU 24 -7.987 -4.665 -5.364 136 3HD1 LEU 24 3HD2 LEU 24 -7.340 -3.114 -4.834 137 1HD2 LEU 24 1HD1 LEU 24 -9.210 -3.926 -8.250 138 2HD2 LEU 24 2HD1 LEU 24 -10.644 -3.628 -7.266 139 3HD2 LEU 24 3HD1 LEU 24 -9.532 -4.929 -6.834 140 H GLU 25 H GLU 25 -9.578 -0.568 -8.222 141 HA GLU 25 HA GLU 25 -11.939 -1.793 -9.460 142 1HB GLU 25 1HB GLU 25 -12.003 0.876 -9.102 143 2HB GLU 25 2HB GLU 25 -11.125 0.819 -10.621 144 1HG GLU 25 2HG GLU 25 -13.249 -0.931 -10.980 145 2HG GLU 25 1HG GLU 25 -13.932 0.437 -10.102 146 H LYS 26 H LYS 26 -9.294 0.288 -10.570 147 HA LYS 26 HA LYS 26 -8.522 -1.828 -12.457 148 1HB LYS 26 2HB LYS 26 -7.687 1.049 -12.719 149 2HB LYS 26 1HB LYS 26 -7.747 -0.196 -13.960 150 1HG LYS 26 2HG LYS 26 -10.209 0.901 -12.627 151 2HG LYS 26 1HG LYS 26 -9.513 1.591 -14.097 152 1HD LYS 26 1HD LYS 26 -9.677 -1.166 -14.558 153 2HD LYS 26 2HD LYS 26 -11.199 -0.720 -13.784 154 1HE LYS 26 2HE LYS 26 -11.694 0.875 -15.454 155 2HE LYS 26 1HE LYS 26 -10.055 0.814 -16.102 156 1HZ LYS 26 1HZ LYS 26 -11.847 -0.405 -17.369 157 2HZ LYS 26 2HZ LYS 26 -11.845 -1.536 -16.119 158 1HN MLE 27 1HM LEM 27 -6.804 -4.090 -10.454 159 2HN MLE 27 2HM LEM 27 -7.526 -3.381 -11.898 160 3HN MLE 27 3HM LEM 27 -8.307 -3.180 -10.331 161 HA MLE 27 HA LEM 27 -4.999 -1.235 -9.788 162 1HB MLE 27 1HB LEM 27 -5.370 -3.824 -8.520 163 2HB MLE 27 2HB LEM 27 -6.754 -2.794 -8.334 164 HG MLE 27 HG LEM 27 -4.705 -2.933 -6.627 165 1HD1 MLE 27 1HD1 LEM 27 -3.126 -2.068 -8.316 166 2HD1 MLE 27 2HD1 LEM 27 -3.213 -1.127 -6.831 167 3HD1 MLE 27 3HD1 LEM 27 -4.009 -0.545 -8.288 168 1HD2 MLE 27 1HD2 LEM 27 -6.827 -1.050 -7.179 169 2HD2 MLE 27 2HD2 LEM 27 -5.459 -0.317 -6.339 170 3HD2 MLE 27 3HD2 LEM 27 -6.256 -1.719 -5.646 171 H GLU 28 H GLU 28 -3.654 -1.495 -11.575 172 HA GLU 28 HA GLU 28 -3.032 -4.181 -12.503 173 1HB GLU 28 2HB GLU 28 -3.245 -2.459 -14.191 174 2HB GLU 28 1HB GLU 28 -2.051 -1.456 -13.379 175 1HG GLU 28 2HG GLU 28 -0.558 -3.626 -13.779 176 2HG GLU 28 1HG GLU 28 -1.700 -3.822 -15.110 177 H ILE 29 H ILE 29 -1.751 -5.305 -11.192 178 HA ILE 29 HA ILE 29 0.296 -3.971 -9.657 179 HB ILE 29 HB ILE 29 0.580 -6.021 -8.470 180 1HG1 ILE 29 1HG1 ILE 29 -1.033 -7.973 -9.321 181 2HG1 ILE 29 2HG1 ILE 29 -0.729 -7.204 -10.876 182 1HG2 ILE 29 1HG2 ILE 29 -2.120 -4.999 -8.996 183 2HG2 ILE 29 2HG2 ILE 29 -1.266 -5.224 -7.470 184 3HG2 ILE 29 3HG2 ILE 29 -2.058 -6.594 -8.246 185 1HD1 ILE 29 1HD1 ILE 29 1.784 -7.378 -9.940 186 2HD1 ILE 29 2HD1 ILE 29 1.007 -8.626 -10.917 187 3HD1 ILE 29 3HD1 ILE 29 1.058 -8.784 -9.160 188 H ILE 30 H ILE 30 2.435 -4.163 -9.826 189 HA ILE 30 HA ILE 30 3.562 -5.897 -11.911 190 HB ILE 30 HB ILE 30 5.082 -3.421 -11.532 191 1HG1 ILE 30 1HG1 ILE 30 2.485 -3.221 -13.074 192 2HG1 ILE 30 2HG1 ILE 30 2.686 -2.583 -11.448 193 1HG2 ILE 30 1HG2 ILE 30 4.656 -5.447 -13.488 194 2HG2 ILE 30 2HG2 ILE 30 5.903 -4.203 -13.437 195 3HG2 ILE 30 3HG2 ILE 30 4.361 -3.874 -14.224 196 1HD1 ILE 30 1HD1 ILE 30 3.377 -0.695 -12.363 197 2HD1 ILE 30 2HD1 ILE 30 3.424 -1.427 -13.966 198 3HD1 ILE 30 3HD1 ILE 30 4.824 -1.551 -12.899 199 HA PRO 31 HA PRO 31 6.325 -6.872 -8.619 200 1HB PRO 31 2HB PRO 31 8.385 -7.986 -9.945 201 2HB PRO 31 1HB PRO 31 6.781 -8.722 -9.904 202 1HG PRO 31 2HG PRO 31 8.154 -7.316 -12.108 203 2HG PRO 31 1HG PRO 31 6.877 -8.540 -12.177 204 1HD PRO 31 1HD PRO 31 6.609 -5.708 -12.424 205 2HD PRO 31 2HD PRO 31 5.314 -6.926 -12.424 206 H ALA 32 H ALA 32 6.870 -4.811 -7.776 207 HA ALA 32 HA ALA 32 9.117 -3.360 -8.859 208 1HB ALA 32 1HB ALA 32 8.625 -1.682 -7.347 209 2HB ALA 32 2HB ALA 32 7.978 -2.798 -6.152 210 3HB ALA 32 3HB ALA 32 7.039 -2.415 -7.592 211 H SER 33 H SER 33 11.196 -3.612 -8.300 212 HA SER 33 HA SER 33 11.988 -4.528 -5.707 213 1HB SER 33 2HB SER 33 13.193 -6.551 -6.482 214 2HB SER 33 1HB SER 33 11.447 -6.699 -6.686 215 HG SER 33 HG SER 33 13.458 -6.480 -8.598 216 H GLN 34 H GLN 34 13.202 -4.452 -9.058 217 HA GLN 34 HA GLN 34 15.839 -3.906 -8.604 218 1HB GLN 34 2HB GLN 34 15.883 -2.829 -10.810 219 2HB GLN 34 1HB GLN 34 14.920 -4.301 -10.833 220 1HG GLN 34 2HG GLN 34 12.994 -2.508 -10.311 221 2HG GLN 34 1HG GLN 34 14.112 -1.498 -11.229 222 1HE2 GLN 34 2HE2 GLN 34 12.741 -1.312 -12.978 223 2HE2 GLN 34 1HE2 GLN 34 12.416 -2.625 -14.053 224 H PHE 35 H PHE 35 13.139 -1.772 -8.171 225 HA PHE 35 HA PHE 35 15.009 0.352 -7.354 226 1HB PHE 35 2HB PHE 35 12.278 0.775 -8.586 227 2HB PHE 35 1HB PHE 35 13.434 2.025 -8.134 228 HD1 PHE 35 HD1 PHE 35 12.054 0.840 -10.880 229 HD2 PHE 35 HD2 PHE 35 15.943 1.063 -9.167 230 HE1 PHE 35 HE1 PHE 35 13.045 0.748 -13.130 231 HE2 PHE 35 HE2 PHE 35 16.942 0.973 -11.414 232 HZ PHE 35 HZ PHE 35 15.493 0.814 -13.399 233 H CYS 36 H CYS 36 11.628 -0.735 -6.992 234 HA CYS 36 HA CYS 36 11.841 -0.031 -4.145 235 1HB CYS 36 1HB CYS 36 10.216 1.274 -5.894 236 2HB CYS 36 2HB CYS 36 9.137 0.008 -5.320 237 HA PRO 37 HA PRO 37 10.828 -4.446 -3.831 238 1HB PRO 37 1HB PRO 37 11.124 -4.643 -1.178 239 2HB PRO 37 2HB PRO 37 12.534 -4.411 -2.228 240 1HG PRO 37 2HG PRO 37 10.905 -2.308 -0.811 241 2HG PRO 37 1HG PRO 37 12.652 -2.609 -0.653 242 1HD PRO 37 2HD PRO 37 11.784 -0.734 -2.304 243 2HD PRO 37 1HD PRO 37 13.069 -1.839 -2.839 244 H ARG 38 H ARG 38 8.588 -3.485 -4.447 245 HA ARG 38 HA ARG 38 6.675 -4.287 -2.443 246 1HB ARG 38 2HB ARG 38 6.944 -1.411 -3.315 247 2HB ARG 38 1HB ARG 38 5.428 -2.047 -2.705 248 1HG ARG 38 2HG ARG 38 8.034 -1.897 -1.219 249 2HG ARG 38 1HG ARG 38 6.591 -0.922 -0.942 250 1HD ARG 38 2HD ARG 38 5.469 -3.289 -0.644 251 2HD ARG 38 1HD ARG 38 7.119 -3.766 -0.251 252 1HH1 ARG 38 1HH2 ARG 38 8.710 -2.630 0.558 253 2HH1 ARG 38 2HH2 ARG 38 9.279 -2.032 2.082 254 1HH2 ARG 38 2HH1 ARG 38 6.086 -1.481 3.391 255 2HH2 ARG 38 1HH1 ARG 38 7.789 -1.379 3.690 256 H VAL 39 H VAL 39 4.355 -3.329 -3.552 257 HA VAL 39 HA VAL 39 4.373 -4.688 -6.126 258 HB VAL 39 HB VAL 39 1.799 -3.582 -5.085 259 1HG1 VAL 39 1HG1 VAL 39 2.389 -6.351 -6.090 260 2HG1 VAL 39 2HG1 VAL 39 2.237 -4.988 -7.201 261 3HG1 VAL 39 3HG1 VAL 39 0.883 -5.435 -6.162 262 1HG2 VAL 39 1HG2 VAL 39 1.474 -5.397 -3.523 263 2HG2 VAL 39 2HG2 VAL 39 2.912 -4.496 -3.053 264 3HG2 VAL 39 3HG2 VAL 39 3.077 -6.045 -3.874 265 H GLU 40 H GLU 40 4.367 -3.624 -8.007 266 HA GLU 40 HA GLU 40 4.226 -0.713 -7.954 267 1HB GLU 40 1HB GLU 40 5.506 -2.671 -9.626 268 2HB GLU 40 2HB GLU 40 4.447 -1.681 -10.619 269 1HG GLU 40 1HG GLU 40 6.453 -0.506 -8.721 270 2HG GLU 40 2HG GLU 40 6.837 -0.907 -10.394 271 H ILE 41 H ILE 41 2.402 0.367 -8.471 272 HA ILE 41 HA ILE 41 0.302 -1.162 -9.796 273 HB ILE 41 HB ILE 41 0.613 -0.660 -6.978 274 1HG1 ILE 41 2HG1 ILE 41 -1.546 -2.255 -7.209 275 2HG1 ILE 41 1HG1 ILE 41 -0.839 -2.455 -8.806 276 1HG2 ILE 41 1HG2 ILE 41 -0.875 1.210 -7.232 277 2HG2 ILE 41 2HG2 ILE 41 -1.695 -0.103 -6.404 278 3HG2 ILE 41 3HG2 ILE 41 -2.033 0.219 -8.107 279 1HD1 ILE 41 1HD1 ILE 41 0.284 -4.096 -7.743 280 2HD1 ILE 41 2HD1 ILE 41 0.155 -3.322 -6.170 281 3HD1 ILE 41 3HD1 ILE 41 1.356 -2.763 -7.326 282 H ILE 42 H ILE 42 -1.180 -0.146 -10.863 283 HA ILE 42 HA ILE 42 -1.391 2.785 -10.690 284 HB ILE 42 HB ILE 42 -2.036 1.061 -13.091 285 1HG1 ILE 42 2HG1 ILE 42 -0.204 2.773 -14.017 286 2HG1 ILE 42 1HG1 ILE 42 0.323 2.723 -12.337 287 1HG2 ILE 42 1HG2 ILE 42 -2.486 3.202 -14.209 288 2HG2 ILE 42 2HG2 ILE 42 -2.209 4.044 -12.684 289 3HG2 ILE 42 3HG2 ILE 42 -3.568 2.930 -12.841 290 1HD1 ILE 42 1HD1 ILE 42 0.472 0.663 -14.431 291 2HD1 ILE 42 2HD1 ILE 42 0.082 0.099 -12.807 292 3HD1 ILE 42 3HD1 ILE 42 1.564 1.010 -13.091 293 H ALA 43 H ALA 43 -2.830 2.508 -8.975 294 HA ALA 43 HA ALA 43 -5.091 0.728 -9.214 295 1HB ALA 43 1HB ALA 43 -5.559 1.482 -6.921 296 2HB ALA 43 2HB ALA 43 -4.274 2.676 -7.054 297 3HB ALA 43 3HB ALA 43 -3.885 0.957 -7.111 298 H THR 44 H THR 44 -7.059 1.244 -9.828 299 HA THR 44 HA THR 44 -7.932 4.046 -9.647 300 HB THR 44 HB THR 44 -8.964 1.902 -11.517 301 HG1 THR 44 HG1 THR 44 -8.010 3.044 -13.094 302 1HG2 THR 44 1HG2 THR 44 -10.441 3.976 -10.494 303 2HG2 THR 44 2HG2 THR 44 -10.761 3.101 -11.991 304 3HG2 THR 44 3HG2 THR 44 -9.845 4.607 -12.031 305 H MET 45 H MET 45 -9.420 4.351 -8.094 306 HA MET 45 HA MET 45 -10.164 2.052 -6.558 307 1HB MET 45 2HB MET 45 -10.427 5.020 -6.173 308 2HB MET 45 1HB MET 45 -11.167 3.888 -5.054 309 1HG MET 45 2HG MET 45 -9.153 3.147 -4.249 310 2HG MET 45 1HG MET 45 -8.281 3.597 -5.715 311 1HE MET 45 1HE MET 45 -6.400 6.463 -4.488 312 2HE MET 45 2HE MET 45 -7.141 6.108 -6.049 313 3HE MET 45 3HE MET 45 -6.413 4.811 -5.104 314 H LYS 46 H LYS 46 -11.960 0.941 -6.713 315 HA LYS 46 HA LYS 46 -14.354 2.143 -7.877 316 1HB LYS 46 2HB LYS 46 -13.493 -0.303 -8.363 317 2HB LYS 46 1HB LYS 46 -14.288 -0.662 -6.840 318 1HG LYS 46 2HG LYS 46 -15.753 0.803 -8.992 319 2HG LYS 46 1HG LYS 46 -15.581 -0.954 -9.059 320 1HD LYS 46 2HD LYS 46 -17.199 -1.218 -7.557 321 2HD LYS 46 1HD LYS 46 -16.375 -0.149 -6.421 322 1HE LYS 46 1HE LYS 46 -17.349 1.790 -7.643 323 2HE LYS 46 2HE LYS 46 -18.276 0.651 -8.618 324 1HZ LYS 46 1HZ LYS 46 -18.442 0.564 -5.684 325 2HZ LYS 46 2HZ LYS 46 -19.559 0.028 -6.827 326 H LYS 47 H LYS 47 -15.082 3.452 -6.418 327 HA LYS 47 HA LYS 47 -16.521 2.796 -4.180 328 1HB LYS 47 2HB LYS 47 -14.109 2.206 -3.375 329 2HB LYS 47 1HB LYS 47 -13.910 3.943 -3.264 330 1HG LYS 47 2HG LYS 47 -14.549 2.738 -1.152 331 2HG LYS 47 1HG LYS 47 -15.535 4.132 -1.592 332 1HD LYS 47 2HD LYS 47 -16.498 1.580 -2.669 333 2HD LYS 47 1HD LYS 47 -16.499 1.668 -0.907 334 1HE LYS 47 2HE LYS 47 -18.097 3.278 -0.847 335 2HE LYS 47 1HE LYS 47 -17.572 4.009 -2.363 336 1HZ LYS 47 1HZ LYS 47 -18.622 2.253 -3.578 337 2HZ LYS 47 2HZ LYS 47 -19.026 1.434 -2.160 338 H LYS 48 H LYS 48 -14.330 5.010 -5.722 339 HA LYS 48 HA LYS 48 -16.305 7.115 -5.583 340 1HB LYS 48 1HB LYS 48 -14.906 7.160 -3.472 341 2HB LYS 48 2HB LYS 48 -13.541 7.610 -4.493 342 1HG LYS 48 1HG LYS 48 -14.808 9.585 -5.264 343 2HG LYS 48 2HG LYS 48 -16.092 9.166 -4.128 344 1HD LYS 48 1HD LYS 48 -14.946 9.943 -2.358 345 2HD LYS 48 2HD LYS 48 -13.415 9.283 -2.939 346 1HE LYS 48 1HE LYS 48 -12.786 11.255 -3.755 347 2HE LYS 48 2HE LYS 48 -14.313 11.451 -4.617 348 1HZ LYS 48 1HZ LYS 48 -15.215 12.054 -2.304 349 2HZ LYS 48 2HZ LYS 48 -13.601 12.317 -1.898 350 H GLY 49 H GLY 49 -14.792 5.435 -7.574 351 1HA GLY 49 2HA GLY 49 -13.656 5.664 -9.567 352 2HA GLY 49 1HA GLY 49 -14.658 7.102 -9.709 353 H GLU 50 H GLU 50 -11.671 6.024 -8.096 354 HA GLU 50 HA GLU 50 -10.464 8.593 -8.889 355 1HB GLU 50 1HB GLU 50 -10.880 8.364 -6.419 356 2HB GLU 50 2HB GLU 50 -9.757 7.012 -6.413 357 1HG GLU 50 2HG GLU 50 -7.928 8.345 -6.728 358 2HG GLU 50 1HG GLU 50 -8.851 9.608 -7.542 359 H LYS 51 H LYS 51 -8.154 8.535 -9.283 360 HA LYS 51 HA LYS 51 -7.119 5.855 -9.929 361 1HB LYS 51 2HB LYS 51 -6.145 6.695 -11.988 362 2HB LYS 51 1HB LYS 51 -7.878 6.989 -11.996 363 1HG LYS 51 1HG LYS 51 -7.118 9.324 -11.013 364 2HG LYS 51 2HG LYS 51 -5.626 8.910 -11.861 365 1HD LYS 51 2HD LYS 51 -7.077 8.443 -13.889 366 2HD LYS 51 1HD LYS 51 -8.389 9.226 -13.007 367 1HE LYS 51 1HE LYS 51 -5.760 10.613 -13.302 368 2HE LYS 51 2HE LYS 51 -6.904 10.610 -14.644 369 1HZ LYS 51 1HZ LYS 51 -7.191 12.555 -13.276 370 2HZ LYS 51 2HZ LYS 51 -7.420 11.609 -11.901 371 H ARG 52 H ARG 52 -5.116 5.465 -9.179 372 HA ARG 52 HA ARG 52 -3.332 7.684 -8.564 373 1HB ARG 52 1HB ARG 52 -4.948 7.133 -6.615 374 2HB ARG 52 2HB ARG 52 -3.959 5.698 -6.402 375 1HG ARG 52 1HG ARG 52 -2.378 6.845 -5.347 376 2HG ARG 52 2HG ARG 52 -2.326 8.068 -6.618 377 1HD ARG 52 2HD ARG 52 -4.411 7.971 -4.445 378 2HD ARG 52 1HD ARG 52 -2.944 8.947 -4.365 379 1HH1 ARG 52 1HH2 ARG 52 -3.973 10.319 -3.407 380 2HH1 ARG 52 2HH2 ARG 52 -4.687 11.887 -3.584 381 1HH2 ARG 52 1HH1 ARG 52 -5.488 11.459 -6.961 382 2HH2 ARG 52 2HH1 ARG 52 -5.550 12.534 -5.604 383 H CYS 53 H CYS 53 -1.180 7.001 -7.913 384 HA CYS 53 HA CYS 53 -0.457 4.389 -9.065 385 1HB CYS 53 2HB CYS 53 0.538 6.686 -9.885 386 2HB CYS 53 1HB CYS 53 1.559 6.524 -8.460 387 H LEU 54 H LEU 54 -0.797 3.109 -7.277 388 HA LEU 54 HA LEU 54 0.361 3.841 -4.731 389 1HB LEU 54 2HB LEU 54 -0.866 1.170 -5.144 390 2HB LEU 54 1HB LEU 54 -0.982 2.257 -3.775 391 HG LEU 54 HG LEU 54 -2.505 2.373 -6.363 392 1HD1 LEU 54 1HD1 LEU 54 -4.223 2.716 -4.248 393 2HD1 LEU 54 2HD1 LEU 54 -3.047 1.562 -3.620 394 3HD1 LEU 54 3HD1 LEU 54 -3.931 1.203 -5.104 395 1HD2 LEU 54 1HD2 LEU 54 -1.806 4.539 -4.498 396 2HD2 LEU 54 2HD2 LEU 54 -3.505 4.434 -4.958 397 3HD2 LEU 54 3HD2 LEU 54 -2.265 4.607 -6.200 398 H ASN 55 H ASN 55 1.537 2.299 -3.444 399 HA ASN 55 HA ASN 55 3.098 0.274 -4.760 400 1HB ASN 55 2HB ASN 55 4.186 2.823 -4.707 401 2HB ASN 55 1HB ASN 55 4.889 2.057 -3.285 402 1HD2 ASN 55 2HD2 ASN 55 4.790 2.167 -6.718 403 2HD2 ASN 55 1HD2 ASN 55 6.059 1.033 -7.008 404 HA PRO 56 HA PRO 56 1.051 -0.777 -0.731 405 1HB PRO 56 1HB PRO 56 2.732 -3.011 -1.846 406 2HB PRO 56 2HB PRO 56 1.309 -3.149 -0.800 407 1HG PRO 56 1HG PRO 56 0.996 -3.258 -3.438 408 2HG PRO 56 2HG PRO 56 -0.134 -2.320 -2.451 409 1HD PRO 56 2HD PRO 56 1.901 -1.355 -4.349 410 2HD PRO 56 1HD PRO 56 0.500 -0.503 -3.670 411 H GLU 57 H GLU 57 2.062 0.543 0.654 412 HA GLU 57 HA GLU 57 4.252 -0.667 2.138 413 1HB GLU 57 2HB GLU 57 5.173 1.686 2.534 414 2HB GLU 57 1HB GLU 57 5.499 0.971 0.959 415 1HG GLU 57 1HG GLU 57 4.638 2.769 0.012 416 2HG GLU 57 2HG GLU 57 3.070 2.345 0.700 417 H SER 58 H SER 58 1.795 -1.060 2.850 418 HA SER 58 HA SER 58 1.350 0.474 5.239 419 1HB SER 58 2HB SER 58 -0.132 1.047 2.769 420 2HB SER 58 1HB SER 58 -1.182 0.675 4.133 421 HG SER 58 HG SER 58 0.662 2.769 3.831 422 H LYS 59 H LYS 59 -1.257 -0.244 5.804 423 HA LYS 59 HA LYS 59 -0.978 -3.093 6.229 424 1HB LYS 59 1HB LYS 59 -3.073 -1.161 7.178 425 2HB LYS 59 2HB LYS 59 -2.972 -2.847 7.650 426 1HG LYS 59 2HG LYS 59 -1.098 -2.511 8.947 427 2HG LYS 59 1HG LYS 59 -0.633 -1.048 8.077 428 1HD LYS 59 2HD LYS 59 -1.608 0.155 9.670 429 2HD LYS 59 1HD LYS 59 -3.161 -0.530 9.186 430 1HE LYS 59 2HE LYS 59 -1.281 -1.867 11.121 431 2HE LYS 59 1HE LYS 59 -2.584 -0.787 11.618 432 1HZ LYS 59 1HZ LYS 59 -3.006 -3.219 9.984 433 2HZ LYS 59 2HZ LYS 59 -3.116 -3.205 11.665 434 H ALA 60 H ALA 60 -4.007 -1.373 5.508 435 HA ALA 60 HA ALA 60 -5.275 -3.456 4.204 436 1HB ALA 60 1HB ALA 60 -6.631 -1.638 3.075 437 2HB ALA 60 2HB ALA 60 -5.589 -0.482 3.904 438 3HB ALA 60 3HB ALA 60 -6.585 -1.601 4.837 439 H ILE 61 H ILE 61 -2.894 -1.229 3.051 440 HA ILE 61 HA ILE 61 -3.145 -1.414 0.307 441 HB ILE 61 HB ILE 61 -1.349 -0.321 2.102 442 1HG1 ILE 61 1HG1 ILE 61 -1.895 0.931 0.238 443 2HG1 ILE 61 2HG1 ILE 61 -0.212 0.529 -0.057 444 1HG2 ILE 61 1HG2 ILE 61 0.131 -2.346 0.460 445 2HG2 ILE 61 2HG2 ILE 61 0.133 -2.148 2.214 446 3HG2 ILE 61 3HG2 ILE 61 0.885 -0.933 1.184 447 1HD1 ILE 61 1HD1 ILE 61 -2.551 -0.096 -1.622 448 2HD1 ILE 61 2HD1 ILE 61 -1.607 -1.538 -1.250 449 3HD1 ILE 61 3HD1 ILE 61 -0.843 -0.169 -2.058 450 H LYS 62 H LYS 62 -1.726 -3.676 2.622 451 HA LYS 62 HA LYS 62 -0.544 -5.500 0.852 452 1HB LYS 62 2HB LYS 62 -1.747 -5.754 3.594 453 2HB LYS 62 1HB LYS 62 -1.223 -7.191 2.726 454 1HG LYS 62 1HG LYS 62 0.853 -5.247 2.598 455 2HG LYS 62 2HG LYS 62 0.326 -5.413 4.274 456 1HD LYS 62 1HD LYS 62 1.152 -7.497 4.456 457 2HD LYS 62 2HD LYS 62 0.625 -7.951 2.833 458 1HE LYS 62 1HE LYS 62 3.022 -8.016 2.904 459 2HE LYS 62 2HE LYS 62 2.525 -6.644 1.911 460 1HZ LYS 62 1HZ LYS 62 4.169 -5.775 3.240 461 2HZ LYS 62 2HZ LYS 62 3.707 -6.653 4.602 462 H ASN 63 H ASN 63 -3.842 -4.902 1.778 463 HA ASN 63 HA ASN 63 -4.983 -7.237 0.603 464 1HB ASN 63 1HB ASN 63 -5.922 -5.202 2.220 465 2HB ASN 63 2HB ASN 63 -6.702 -4.865 0.676 466 1HD2 ASN 63 2HD2 ASN 63 -6.117 -7.442 3.017 467 2HD2 ASN 63 1HD2 ASN 63 -7.604 -8.275 2.737 468 H LEU 64 H LEU 64 -3.845 -4.198 -0.574 469 HA LEU 64 HA LEU 64 -5.245 -3.837 -2.925 470 1HB LEU 64 2HB LEU 64 -3.443 -2.291 -2.151 471 2HB LEU 64 1HB LEU 64 -2.254 -3.493 -2.591 472 HG LEU 64 HG LEU 64 -3.823 -3.079 -4.895 473 1HD1 LEU 64 1HD1 LEU 64 -4.658 -1.028 -4.544 474 2HD1 LEU 64 2HD1 LEU 64 -3.030 -0.516 -4.996 475 3HD1 LEU 64 3HD1 LEU 64 -3.474 -0.636 -3.293 476 1HD2 LEU 64 1HD2 LEU 64 -1.050 -3.039 -4.070 477 2HD2 LEU 64 2HD2 LEU 64 -1.374 -1.707 -5.177 478 3HD2 LEU 64 3HD2 LEU 64 -1.742 -3.361 -5.655 479 H LEU 65 H LEU 65 -2.092 -5.399 -2.677 480 HA LEU 65 HA LEU 65 -2.439 -6.623 -5.254 481 1HB LEU 65 2HB LEU 65 -0.241 -5.940 -4.652 482 2HB LEU 65 1HB LEU 65 -0.298 -6.830 -3.143 483 HG LEU 65 HG LEU 65 -0.453 -8.939 -4.616 484 1HD1 LEU 65 1HD2 LEU 65 -0.512 -7.001 -6.633 485 2HD1 LEU 65 2HD2 LEU 65 -0.365 -8.748 -6.824 486 3HD1 LEU 65 3HD2 LEU 65 1.083 -7.746 -6.729 487 1HD2 LEU 65 1HD1 LEU 65 1.706 -7.445 -3.593 488 2HD2 LEU 65 2HD1 LEU 65 2.202 -8.058 -5.170 489 3HD2 LEU 65 3HD1 LEU 65 1.639 -9.175 -3.928 490 H LYS 66 H LYS 66 -3.048 -7.631 -2.004 491 HA LYS 66 HA LYS 66 -3.006 -10.452 -2.599 492 1HB LYS 66 1HB LYS 66 -2.482 -9.562 -0.341 493 2HB LYS 66 2HB LYS 66 -4.146 -9.007 -0.205 494 1HG LYS 66 1HG LYS 66 -3.947 -11.829 -0.883 495 2HG LYS 66 2HG LYS 66 -3.173 -11.425 0.651 496 1HD LYS 66 2HD LYS 66 -5.226 -10.352 1.416 497 2HD LYS 66 1HD LYS 66 -6.003 -10.722 -0.125 498 1HE LYS 66 1HE LYS 66 -6.062 -13.010 0.312 499 2HE LYS 66 2HE LYS 66 -4.823 -12.897 1.563 500 1HZ LYS 66 1HZ LYS 66 -7.588 -11.845 1.762 501 2HZ LYS 66 2HZ LYS 66 -6.404 -11.708 2.954 502 H ALA 67 H ALA 67 -5.439 -7.956 -2.142 503 HA ALA 67 HA ALA 67 -7.628 -9.777 -2.580 504 1HB ALA 67 1HB ALA 67 -7.927 -6.808 -2.567 505 2HB ALA 67 2HB ALA 67 -7.588 -7.673 -1.069 506 3HB ALA 67 3HB ALA 67 -9.041 -8.048 -1.994 507 H VAL 68 H VAL 68 -5.629 -7.727 -4.493 508 HA VAL 68 HA VAL 68 -7.557 -7.648 -6.657 509 HB VAL 68 HB VAL 68 -6.038 -5.706 -6.090 510 1HG1 VAL 68 1HG2 VAL 68 -3.992 -7.485 -6.278 511 2HG1 VAL 68 2HG2 VAL 68 -3.808 -5.737 -6.446 512 3HG1 VAL 68 3HG2 VAL 68 -3.954 -6.754 -7.881 513 1HG2 VAL 68 1HG1 VAL 68 -6.931 -6.771 -8.609 514 2HG2 VAL 68 2HG1 VAL 68 -5.488 -5.782 -8.828 515 3HG2 VAL 68 3HG1 VAL 68 -6.913 -5.102 -8.042 516 H SER 69 H SER 69 -4.672 -9.358 -5.719 517 HA SER 69 HA SER 69 -4.209 -10.515 -8.315 518 1HB SER 69 1HB SER 69 -2.327 -10.154 -6.804 519 2HB SER 69 2HB SER 69 -3.066 -11.204 -5.596 520 HG SER 69 HG SER 69 -2.815 -12.939 -7.018 521 H LYS 70 H LYS 70 -5.363 -11.753 -5.183 522 HA LYS 70 HA LYS 70 -6.772 -13.465 -4.666 523 1HB LYS 70 1HB LYS 70 -7.637 -12.584 -7.223 524 2HB LYS 70 2HB LYS 70 -7.665 -14.340 -7.245 525 1HG LYS 70 1HG LYS 70 -8.826 -13.088 -4.851 526 2HG LYS 70 2HG LYS 70 -9.692 -12.809 -6.363 527 1HD LYS 70 2HD LYS 70 -9.240 -15.442 -6.592 528 2HD LYS 70 1HD LYS 70 -9.296 -15.309 -4.833 529 1HE LYS 70 2HE LYS 70 -11.512 -15.272 -4.923 530 2HE LYS 70 1HE LYS 70 -11.436 -13.776 -5.852 531 1HZ LYS 70 1HZ LYS 70 -12.553 -15.984 -6.761 532 2HZ LYS 70 2HZ LYS 70 -10.981 -16.254 -7.306 Start of MODEL 5 1 H VAL 7 H VAL 7 16.407 3.622 -2.106 2 HA VAL 7 HA VAL 7 15.015 2.417 -4.214 3 HB VAL 7 HB VAL 7 14.568 1.675 -1.990 4 1HG1 VAL 7 1HG2 VAL 7 14.921 3.359 -0.497 5 2HG1 VAL 7 2HG2 VAL 7 13.158 3.385 -0.536 6 3HG1 VAL 7 3HG2 VAL 7 14.079 4.558 -1.478 7 1HG2 VAL 7 1HG1 VAL 7 11.948 2.868 -2.210 8 2HG2 VAL 7 2HG1 VAL 7 12.447 1.192 -2.436 9 3HG2 VAL 7 3HG1 VAL 7 12.544 2.331 -3.780 10 H ARG 8 H ARG 8 13.296 3.048 -5.480 11 HA ARG 8 HA ARG 8 11.974 5.559 -5.106 12 1HB ARG 8 1HB ARG 8 14.157 5.290 -7.117 13 2HB ARG 8 2HB ARG 8 12.724 6.200 -7.577 14 1HG ARG 8 1HG ARG 8 13.300 7.234 -5.112 15 2HG ARG 8 2HG ARG 8 14.904 6.910 -5.774 16 1HD ARG 8 1HD ARG 8 14.629 8.382 -7.521 17 2HD ARG 8 2HD ARG 8 12.870 8.263 -7.485 18 1HH1 ARG 8 1HH2 ARG 8 13.514 10.146 -8.503 19 2HH1 ARG 8 2HH2 ARG 8 13.374 11.858 -8.275 20 1HH2 ARG 8 1HH1 ARG 8 13.573 11.698 -4.786 21 2HH2 ARG 8 2HH1 ARG 8 13.407 12.739 -6.160 22 H CYS 9 H CYS 9 9.944 5.021 -5.554 23 HA CYS 9 HA CYS 9 9.346 2.825 -7.314 24 1HB CYS 9 2HB CYS 9 7.270 4.676 -6.184 25 2HB CYS 9 1HB CYS 9 7.155 2.952 -6.527 26 H THR 10 H THR 10 6.903 3.728 -8.404 27 HA THR 10 HA THR 10 7.919 5.557 -10.473 28 HB THR 10 HB THR 10 5.915 4.346 -11.749 29 HG1 THR 10 HG1 THR 10 6.789 2.419 -9.865 30 1HG2 THR 10 1HG2 THR 10 8.431 4.306 -12.242 31 2HG2 THR 10 2HG2 THR 10 7.430 2.988 -12.850 32 3HG2 THR 10 3HG2 THR 10 8.416 2.754 -11.406 33 H CYS 11 H CYS 11 6.842 6.744 -8.249 34 HA CYS 11 HA CYS 11 4.913 8.439 -9.334 35 1HB CYS 11 1HB CYS 11 3.582 6.219 -8.904 36 2HB CYS 11 2HB CYS 11 3.609 6.754 -7.226 37 H ILE 12 H ILE 12 4.145 10.055 -7.818 38 HA ILE 12 HA ILE 12 6.007 10.372 -5.580 39 HB ILE 12 HB ILE 12 4.119 12.484 -6.588 40 1HG1 ILE 12 1HG1 ILE 12 6.729 12.939 -7.604 41 2HG1 ILE 12 2HG1 ILE 12 6.293 11.285 -8.026 42 1HG2 ILE 12 1HG2 ILE 12 5.125 12.995 -4.484 43 2HG2 ILE 12 2HG2 ILE 12 5.920 13.975 -5.715 44 3HG2 ILE 12 3HG2 ILE 12 6.722 12.541 -5.075 45 1HD1 ILE 12 1HD1 ILE 12 5.205 13.838 -8.991 46 2HD1 ILE 12 2HD1 ILE 12 4.030 12.552 -8.714 47 3HD1 ILE 12 3HD1 ILE 12 5.383 12.288 -9.814 48 H SER 13 H SER 13 2.554 10.405 -6.334 49 HA SER 13 HA SER 13 1.945 10.538 -3.466 50 1HB SER 13 2HB SER 13 0.744 11.722 -5.748 51 2HB SER 13 1HB SER 13 -0.417 10.567 -5.093 52 HG SER 13 HG SER 13 0.022 12.958 -4.210 53 H ILE 14 H ILE 14 1.816 8.613 -2.529 54 HA ILE 14 HA ILE 14 0.753 6.339 -4.047 55 HB ILE 14 HB ILE 14 1.599 5.026 -2.014 56 1HG1 ILE 14 2HG1 ILE 14 3.201 7.562 -1.613 57 2HG1 ILE 14 1HG1 ILE 14 1.856 7.074 -0.586 58 1HG2 ILE 14 1HG2 ILE 14 4.021 5.274 -2.866 59 2HG2 ILE 14 2HG2 ILE 14 3.327 6.393 -4.039 60 3HG2 ILE 14 3HG2 ILE 14 2.780 4.718 -3.988 61 1HD1 ILE 14 1HD1 ILE 14 4.275 5.353 -1.013 62 2HD1 ILE 14 2HD1 ILE 14 3.031 5.203 0.228 63 3HD1 ILE 14 3HD1 ILE 14 4.162 6.556 0.271 64 H SER 15 H SER 15 -0.309 4.684 -2.333 65 HA SER 15 HA SER 15 -2.628 6.124 -1.336 66 1HB SER 15 1HB SER 15 -3.393 4.295 -2.509 67 2HB SER 15 2HB SER 15 -2.042 3.275 -2.015 68 HG SER 15 HG SER 15 -4.329 3.053 -1.040 69 H ASN 16 H ASN 16 -1.668 3.138 0.236 70 HA ASN 16 HA ASN 16 -1.536 2.693 2.485 71 1HB ASN 16 1HB ASN 16 0.529 3.467 3.441 72 2HB ASN 16 2HB ASN 16 0.795 3.191 1.723 73 1HD2 ASN 16 1HD2 ASN 16 0.920 5.423 4.271 74 2HD2 ASN 16 2HD2 ASN 16 1.383 6.811 3.351 75 H GLN 17 H GLN 17 -3.487 4.751 1.858 76 HA GLN 17 HA GLN 17 -3.471 6.202 4.418 77 1HB GLN 17 2HB GLN 17 -3.956 8.203 3.427 78 2HB GLN 17 1HB GLN 17 -3.049 7.469 2.121 79 1HG GLN 17 2HG GLN 17 -5.295 6.682 1.214 80 2HG GLN 17 1HG GLN 17 -6.011 7.834 2.341 81 1HE2 GLN 17 2HE2 GLN 17 -4.509 7.399 -0.670 82 2HE2 GLN 17 1HE2 GLN 17 -4.416 9.060 -1.134 83 HA PRO 18 HA PRO 18 -7.620 5.225 5.548 84 1HB PRO 18 2HB PRO 18 -8.624 7.666 4.125 85 2HB PRO 18 1HB PRO 18 -9.072 7.031 5.716 86 1HG PRO 18 1HG PRO 18 -7.360 9.056 5.512 87 2HG PRO 18 2HG PRO 18 -7.113 7.775 6.711 88 1HD PRO 18 2HD PRO 18 -5.660 8.313 4.187 89 2HD PRO 18 1HD PRO 18 -5.085 7.538 5.673 90 H VAL 19 H VAL 19 -7.132 6.159 2.192 91 HA VAL 19 HA VAL 19 -9.429 4.532 1.395 92 HB VAL 19 HB VAL 19 -8.632 5.364 -0.971 93 1HG1 VAL 19 1HG2 VAL 19 -10.320 6.599 1.109 94 2HG1 VAL 19 2HG2 VAL 19 -10.733 6.052 -0.518 95 3HG1 VAL 19 3HG2 VAL 19 -9.931 7.606 -0.286 96 1HG2 VAL 19 1HG1 VAL 19 -7.526 7.497 0.851 97 2HG2 VAL 19 2HG1 VAL 19 -7.685 7.611 -0.902 98 3HG2 VAL 19 3HG1 VAL 19 -6.586 6.428 -0.194 99 H ASN 20 H ASN 20 -7.948 2.756 2.331 100 HA ASN 20 HA ASN 20 -5.805 1.796 0.745 101 1HB ASN 20 2HB ASN 20 -7.605 0.284 2.650 102 2HB ASN 20 1HB ASN 20 -6.078 -0.292 2.022 103 1HD2 ASN 20 1HD2 ASN 20 -4.272 1.439 2.317 104 2HD2 ASN 20 2HD2 ASN 20 -4.145 2.068 3.922 105 HA PRO 21 HA PRO 21 -7.276 -0.270 -2.762 106 1HB PRO 21 1HB PRO 21 -6.838 -2.885 -1.401 107 2HB PRO 21 2HB PRO 21 -6.399 -2.365 -3.042 108 1HG PRO 21 2HG PRO 21 -4.623 -2.386 -1.006 109 2HG PRO 21 1HG PRO 21 -4.564 -1.201 -2.311 110 1HD PRO 21 2HD PRO 21 -5.231 -0.830 0.498 111 2HD PRO 21 1HD PRO 21 -4.786 0.372 -0.720 112 H ARG 22 H ARG 22 -8.889 -1.060 0.264 113 HA ARG 22 HA ARG 22 -10.975 -2.692 -0.391 114 1HB ARG 22 1HB ARG 22 -10.522 -0.830 1.604 115 2HB ARG 22 2HB ARG 22 -11.943 -0.190 0.794 116 1HG ARG 22 2HG ARG 22 -12.494 -2.889 1.076 117 2HG ARG 22 1HG ARG 22 -11.691 -2.445 2.584 118 1HD ARG 22 2HD ARG 22 -13.282 -0.453 2.646 119 2HD ARG 22 1HD ARG 22 -14.189 -1.286 1.384 120 1HH1 ARG 22 2HH2 ARG 22 -15.493 -0.111 2.855 121 2HH1 ARG 22 1HH2 ARG 22 -16.749 -0.441 4.001 122 1HH2 ARG 22 1HH1 ARG 22 -15.434 -3.526 4.991 123 2HH2 ARG 22 2HH1 ARG 22 -16.716 -2.382 5.216 124 H SER 23 H SER 23 -10.326 0.539 -1.424 125 HA SER 23 HA SER 23 -12.479 0.503 -3.406 126 1HB SER 23 2HB SER 23 -10.428 2.679 -2.893 127 2HB SER 23 1HB SER 23 -11.922 2.813 -3.813 128 HG SER 23 HG SER 23 -12.270 3.695 -1.802 129 H LEU 24 H LEU 24 -11.777 -0.947 -4.941 130 HA LEU 24 HA LEU 24 -9.144 -0.448 -6.191 131 1HB LEU 24 2HB LEU 24 -8.553 -2.236 -4.731 132 2HB LEU 24 1HB LEU 24 -10.015 -3.123 -5.103 133 HG LEU 24 HG LEU 24 -8.535 -2.712 -7.517 134 1HD1 LEU 24 1HD2 LEU 24 -6.841 -4.479 -5.993 135 2HD1 LEU 24 2HD2 LEU 24 -6.825 -2.852 -5.316 136 3HD1 LEU 24 3HD2 LEU 24 -6.410 -3.104 -7.010 137 1HD2 LEU 24 1HD1 LEU 24 -8.924 -4.962 -7.817 138 2HD2 LEU 24 2HD1 LEU 24 -10.231 -4.513 -6.719 139 3HD2 LEU 24 3HD1 LEU 24 -8.792 -5.323 -6.096 140 H GLU 25 H GLU 25 -9.132 -0.764 -8.408 141 HA GLU 25 HA GLU 25 -11.459 -2.087 -9.605 142 1HB GLU 25 1HB GLU 25 -11.739 0.550 -9.259 143 2HB GLU 25 2HB GLU 25 -10.873 0.581 -10.780 144 1HG GLU 25 2HG GLU 25 -13.275 -1.156 -10.435 145 2HG GLU 25 1HG GLU 25 -13.440 0.561 -10.804 146 H LYS 26 H LYS 26 -9.067 0.179 -10.931 147 HA LYS 26 HA LYS 26 -8.302 -1.916 -12.836 148 1HB LYS 26 2HB LYS 26 -7.527 0.945 -13.225 149 2HB LYS 26 1HB LYS 26 -7.841 -0.295 -14.428 150 1HG LYS 26 2HG LYS 26 -10.215 0.405 -12.878 151 2HG LYS 26 1HG LYS 26 -9.522 1.765 -13.760 152 1HD LYS 26 2HD LYS 26 -9.614 -0.667 -15.351 153 2HD LYS 26 1HD LYS 26 -11.209 -0.159 -14.794 154 1HE LYS 26 2HE LYS 26 -10.563 2.168 -15.626 155 2HE LYS 26 1HE LYS 26 -9.234 1.368 -16.465 156 1HZ LYS 26 1HZ LYS 26 -10.601 0.508 -17.983 157 2HZ LYS 26 2HZ LYS 26 -11.653 1.737 -17.509 158 1HN MLE 27 1HM LEM 27 -6.334 -4.097 -10.968 159 2HN MLE 27 2HM LEM 27 -7.356 -3.448 -12.246 160 3HN MLE 27 3HM LEM 27 -7.810 -3.229 -10.558 161 HA MLE 27 HA LEM 27 -4.591 -1.153 -10.617 162 1HB MLE 27 1HB LEM 27 -4.615 -3.255 -8.774 163 2HB MLE 27 2HB LEM 27 -6.285 -2.764 -8.930 164 HG MLE 27 HG LEM 27 -4.292 -0.632 -8.580 165 1HD1 MLE 27 1HD1 LEM 27 -7.121 -1.017 -8.350 166 2HD1 MLE 27 2HD1 LEM 27 -6.199 0.484 -8.327 167 3HD1 MLE 27 3HD1 LEM 27 -6.468 -0.404 -6.831 168 1HD2 MLE 27 1HD2 LEM 27 -3.927 -2.692 -6.959 169 2HD2 MLE 27 2HD2 LEM 27 -5.205 -1.846 -6.082 170 3HD2 MLE 27 3HD2 LEM 27 -3.709 -1.010 -6.490 171 H GLU 28 H GLU 28 -3.100 -1.669 -12.093 172 HA GLU 28 HA GLU 28 -2.564 -4.459 -12.732 173 1HB GLU 28 2HB GLU 28 -2.548 -2.946 -14.606 174 2HB GLU 28 1HB GLU 28 -1.415 -1.877 -13.792 175 1HG GLU 28 2HG GLU 28 -0.165 -4.368 -13.853 176 2HG GLU 28 1HG GLU 28 -0.910 -4.176 -15.441 177 H ILE 29 H ILE 29 -1.532 -5.419 -11.047 178 HA ILE 29 HA ILE 29 0.519 -3.979 -9.608 179 HB ILE 29 HB ILE 29 0.652 -5.922 -8.142 180 1HG1 ILE 29 2HG1 ILE 29 -1.323 -7.627 -8.593 181 2HG1 ILE 29 1HG1 ILE 29 -1.076 -7.122 -10.263 182 1HG2 ILE 29 1HG2 ILE 29 -1.809 -5.877 -7.407 183 2HG2 ILE 29 2HG2 ILE 29 -2.027 -4.725 -8.725 184 3HG2 ILE 29 3HG2 ILE 29 -0.905 -4.363 -7.415 185 1HD1 ILE 29 1HD1 ILE 29 0.554 -8.602 -10.408 186 2HD1 ILE 29 2HD1 ILE 29 0.427 -8.971 -8.687 187 3HD1 ILE 29 3HD1 ILE 29 1.475 -7.659 -9.236 188 H ILE 30 H ILE 30 2.628 -4.421 -9.488 189 HA ILE 30 HA ILE 30 3.742 -6.607 -11.080 190 HB ILE 30 HB ILE 30 5.407 -4.220 -11.268 191 1HG1 ILE 30 1HG1 ILE 30 2.901 -4.161 -12.950 192 2HG1 ILE 30 2HG1 ILE 30 3.020 -3.263 -11.443 193 1HG2 ILE 30 1HG2 ILE 30 4.855 -6.612 -12.691 194 2HG2 ILE 30 2HG2 ILE 30 6.168 -5.460 -12.938 195 3HG2 ILE 30 3HG2 ILE 30 4.638 -5.252 -13.794 196 1HD1 ILE 30 1HD1 ILE 30 3.587 -1.688 -13.019 197 2HD1 ILE 30 2HD1 ILE 30 4.481 -2.845 -14.005 198 3HD1 ILE 30 3HD1 ILE 30 5.164 -2.270 -12.485 199 HA PRO 31 HA PRO 31 6.417 -6.812 -7.550 200 1HB PRO 31 1HB PRO 31 8.329 -8.430 -8.472 201 2HB PRO 31 2HB PRO 31 6.653 -8.979 -8.351 202 1HG PRO 31 2HG PRO 31 8.227 -8.204 -10.748 203 2HG PRO 31 1HG PRO 31 6.908 -9.374 -10.599 204 1HD PRO 31 1HD PRO 31 6.739 -6.683 -11.514 205 2HD PRO 31 2HD PRO 31 5.399 -7.811 -11.239 206 H ALA 32 H ALA 32 7.337 -4.837 -7.053 207 HA ALA 32 HA ALA 32 9.597 -3.885 -8.628 208 1HB ALA 32 1HB ALA 32 9.500 -1.918 -7.080 209 2HB ALA 32 2HB ALA 32 8.079 -2.657 -6.340 210 3HB ALA 32 3HB ALA 32 8.042 -2.184 -8.039 211 H SER 33 H SER 33 11.676 -3.660 -7.839 212 HA SER 33 HA SER 33 12.354 -4.339 -5.133 213 1HB SER 33 2HB SER 33 12.002 -6.560 -6.446 214 2HB SER 33 1HB SER 33 13.545 -6.160 -7.203 215 HG SER 33 HG SER 33 13.822 -7.457 -5.342 216 H GLN 34 H GLN 34 13.857 -4.408 -8.364 217 HA GLN 34 HA GLN 34 16.356 -3.497 -7.624 218 1HB GLN 34 1HB GLN 34 16.531 -2.669 -10.005 219 2HB GLN 34 2HB GLN 34 16.065 -4.355 -9.822 220 1HG GLN 34 1HG GLN 34 13.765 -3.821 -10.273 221 2HG GLN 34 2HG GLN 34 14.135 -2.099 -10.309 222 1HE2 GLN 34 1HE2 GLN 34 14.632 -5.160 -11.944 223 2HE2 GLN 34 2HE2 GLN 34 14.996 -4.489 -13.494 224 H PHE 35 H PHE 35 13.399 -1.741 -7.833 225 HA PHE 35 HA PHE 35 14.886 0.758 -7.374 226 1HB PHE 35 1HB PHE 35 13.005 0.178 -9.400 227 2HB PHE 35 2HB PHE 35 12.205 1.267 -8.273 228 HD1 PHE 35 HD1 PHE 35 14.416 2.947 -7.370 229 HD2 PHE 35 HD2 PHE 35 13.503 1.474 -11.257 230 HE1 PHE 35 HE1 PHE 35 15.595 4.860 -8.366 231 HE2 PHE 35 HE2 PHE 35 14.682 3.386 -12.262 232 HZ PHE 35 HZ PHE 35 15.732 5.083 -10.816 233 H CYS 36 H CYS 36 11.654 -0.673 -6.860 234 HA CYS 36 HA CYS 36 11.726 0.397 -4.124 235 1HB CYS 36 1HB CYS 36 10.086 1.368 -6.198 236 2HB CYS 36 2HB CYS 36 9.036 0.407 -5.164 237 HA PRO 37 HA PRO 37 10.917 -4.133 -3.867 238 1HB PRO 37 2HB PRO 37 11.563 -3.354 -1.057 239 2HB PRO 37 1HB PRO 37 12.096 -4.762 -1.987 240 1HG PRO 37 1HG PRO 37 13.764 -2.750 -1.629 241 2HG PRO 37 2HG PRO 37 13.633 -3.507 -3.230 242 1HD PRO 37 1HD PRO 37 12.480 -0.916 -2.265 243 2HD PRO 37 2HD PRO 37 13.243 -1.302 -3.822 244 H ARG 38 H ARG 38 8.691 -3.338 -4.324 245 HA ARG 38 HA ARG 38 6.910 -4.070 -2.194 246 1HB ARG 38 2HB ARG 38 6.618 -1.294 -3.383 247 2HB ARG 38 1HB ARG 38 5.564 -2.036 -2.193 248 1HG ARG 38 2HG ARG 38 8.448 -1.432 -1.634 249 2HG ARG 38 1HG ARG 38 7.142 -0.294 -1.336 250 1HD ARG 38 1HD ARG 38 6.043 -2.077 0.055 251 2HD ARG 38 2HD ARG 38 7.539 -2.996 -0.073 252 1HH1 ARG 38 1HH1 ARG 38 9.544 -2.273 -0.269 253 2HH1 ARG 38 2HH1 ARG 38 10.832 -1.649 0.707 254 1HH2 ARG 38 1HH2 ARG 38 8.720 0.030 2.932 255 2HH2 ARG 38 2HH2 ARG 38 10.363 -0.342 2.527 256 H VAL 39 H VAL 39 4.574 -2.906 -3.537 257 HA VAL 39 HA VAL 39 4.643 -4.542 -5.967 258 HB VAL 39 HB VAL 39 2.091 -3.428 -4.854 259 1HG1 VAL 39 1HG2 VAL 39 2.550 -4.721 -7.129 260 2HG1 VAL 39 2HG2 VAL 39 1.066 -4.943 -6.202 261 3HG1 VAL 39 3HG2 VAL 39 2.375 -6.119 -6.068 262 1HG2 VAL 39 1HG1 VAL 39 1.817 -5.242 -3.370 263 2HG2 VAL 39 2HG1 VAL 39 3.450 -4.652 -3.061 264 3HG2 VAL 39 3HG1 VAL 39 3.205 -6.101 -4.033 265 H GLU 40 H GLU 40 4.599 -3.615 -7.912 266 HA GLU 40 HA GLU 40 4.352 -0.720 -8.097 267 1HB GLU 40 1HB GLU 40 5.584 -2.830 -9.691 268 2HB GLU 40 2HB GLU 40 4.556 -1.800 -10.680 269 1HG GLU 40 1HG GLU 40 5.916 0.042 -9.235 270 2HG GLU 40 2HG GLU 40 7.123 -1.224 -9.437 271 H ILE 41 H ILE 41 2.393 0.177 -8.449 272 HA ILE 41 HA ILE 41 0.414 -1.441 -9.881 273 HB ILE 41 HB ILE 41 0.270 -1.899 -7.468 274 1HG1 ILE 41 2HG1 ILE 41 -2.089 -1.696 -7.277 275 2HG1 ILE 41 1HG1 ILE 41 -2.133 -0.335 -8.392 276 1HG2 ILE 41 1HG2 ILE 41 0.673 0.826 -7.211 277 2HG2 ILE 41 2HG2 ILE 41 0.353 -0.328 -5.922 278 3HG2 ILE 41 3HG2 ILE 41 -0.979 0.554 -6.669 279 1HD1 ILE 41 1HD1 ILE 41 -1.054 -2.909 -9.366 280 2HD1 ILE 41 2HD1 ILE 41 -1.964 -1.666 -10.224 281 3HD1 ILE 41 3HD1 ILE 41 -2.790 -2.771 -9.127 282 H ILE 42 H ILE 42 -0.566 -0.314 -11.369 283 HA ILE 42 HA ILE 42 -0.925 2.578 -11.025 284 HB ILE 42 HB ILE 42 -1.924 1.032 -13.394 285 1HG1 ILE 42 1HG1 ILE 42 0.771 2.378 -13.366 286 2HG1 ILE 42 2HG1 ILE 42 0.610 0.692 -12.886 287 1HG2 ILE 42 1HG2 ILE 42 -1.048 3.531 -14.159 288 2HG2 ILE 42 2HG2 ILE 42 -1.677 3.806 -12.529 289 3HG2 ILE 42 3HG2 ILE 42 -2.712 3.094 -13.772 290 1HD1 ILE 42 1HD1 ILE 42 -0.763 1.082 -15.349 291 2HD1 ILE 42 2HD1 ILE 42 0.634 0.064 -14.998 292 3HD1 ILE 42 3HD1 ILE 42 0.865 1.747 -15.476 293 H ALA 43 H ALA 43 -2.392 2.561 -9.384 294 HA ALA 43 HA ALA 43 -4.652 0.794 -9.577 295 1HB ALA 43 1HB ALA 43 -5.032 1.529 -7.203 296 2HB ALA 43 2HB ALA 43 -3.578 2.512 -7.361 297 3HB ALA 43 3HB ALA 43 -3.476 0.760 -7.512 298 H THR 44 H THR 44 -6.579 1.229 -10.062 299 HA THR 44 HA THR 44 -7.569 3.977 -9.771 300 HB THR 44 HB THR 44 -8.517 1.868 -11.734 301 HG1 THR 44 HG1 THR 44 -7.365 2.886 -13.168 302 1HG2 THR 44 1HG2 THR 44 -10.186 3.255 -12.470 303 2HG2 THR 44 2HG2 THR 44 -9.436 4.698 -11.787 304 3HG2 THR 44 3HG2 THR 44 -10.235 3.535 -10.729 305 H MET 45 H MET 45 -9.087 4.137 -8.204 306 HA MET 45 HA MET 45 -9.780 1.711 -6.830 307 1HB MET 45 2HB MET 45 -10.661 4.500 -6.109 308 2HB MET 45 1HB MET 45 -10.522 3.107 -5.058 309 1HG MET 45 1HG MET 45 -8.356 4.806 -6.190 310 2HG MET 45 2HG MET 45 -8.719 4.431 -4.506 311 1HE MET 45 1HE MET 45 -5.846 2.242 -3.893 312 2HE MET 45 2HE MET 45 -7.080 3.362 -3.313 313 3HE MET 45 3HE MET 45 -5.823 3.928 -4.412 314 H LYS 46 H LYS 46 -11.615 0.656 -6.787 315 HA LYS 46 HA LYS 46 -13.974 1.802 -8.084 316 1HB LYS 46 1HB LYS 46 -13.114 -0.656 -8.503 317 2HB LYS 46 2HB LYS 46 -13.927 -0.982 -6.984 318 1HG LYS 46 2HG LYS 46 -15.414 0.484 -9.098 319 2HG LYS 46 1HG LYS 46 -15.154 -1.251 -9.295 320 1HD LYS 46 2HD LYS 46 -16.624 -1.773 -7.684 321 2HD LYS 46 1HD LYS 46 -16.057 -0.485 -6.620 322 1HE LYS 46 2HE LYS 46 -18.405 -0.185 -7.313 323 2HE LYS 46 1HE LYS 46 -17.367 1.146 -7.822 324 1HZ LYS 46 1HZ LYS 46 -18.320 0.810 -9.790 325 2HZ LYS 46 2HZ LYS 46 -18.849 -0.743 -9.405 326 H LYS 47 H LYS 47 -14.746 3.140 -6.654 327 HA LYS 47 HA LYS 47 -16.185 2.469 -4.415 328 1HB LYS 47 2HB LYS 47 -13.782 1.959 -3.567 329 2HB LYS 47 1HB LYS 47 -13.587 3.702 -3.527 330 1HG LYS 47 2HG LYS 47 -14.249 2.504 -1.374 331 2HG LYS 47 1HG LYS 47 -15.146 3.956 -1.822 332 1HD LYS 47 2HD LYS 47 -17.056 2.776 -2.329 333 2HD LYS 47 1HD LYS 47 -16.170 1.297 -2.702 334 1HE LYS 47 2HE LYS 47 -15.624 1.745 -0.026 335 2HE LYS 47 1HE LYS 47 -17.322 2.193 -0.192 336 1HZ LYS 47 1HZ LYS 47 -16.149 -0.379 -0.163 337 2HZ LYS 47 2HZ LYS 47 -17.777 0.052 -0.087 338 H LYS 48 H LYS 48 -14.076 4.756 -5.977 339 HA LYS 48 HA LYS 48 -16.114 6.790 -5.915 340 1HB LYS 48 1HB LYS 48 -14.896 6.891 -3.702 341 2HB LYS 48 2HB LYS 48 -13.460 7.365 -4.603 342 1HG LYS 48 2HG LYS 48 -14.493 9.335 -3.737 343 2HG LYS 48 1HG LYS 48 -14.710 9.310 -5.487 344 1HD LYS 48 2HD LYS 48 -16.950 9.128 -5.333 345 2HD LYS 48 1HD LYS 48 -16.865 8.033 -3.951 346 1HE LYS 48 2HE LYS 48 -15.946 10.647 -3.201 347 2HE LYS 48 1HE LYS 48 -17.539 10.760 -3.948 348 1HZ LYS 48 1HZ LYS 48 -18.446 9.310 -2.371 349 2HZ LYS 48 2HZ LYS 48 -16.937 8.808 -1.814 350 H GLY 49 H GLY 49 -14.456 5.210 -7.830 351 1HA GLY 49 1HA GLY 49 -13.194 5.505 -9.737 352 2HA GLY 49 2HA GLY 49 -14.165 6.961 -9.893 353 H GLU 50 H GLU 50 -11.318 5.790 -8.095 354 HA GLU 50 HA GLU 50 -10.097 8.441 -8.547 355 1HB GLU 50 1HB GLU 50 -10.606 7.536 -6.144 356 2HB GLU 50 2HB GLU 50 -9.164 6.564 -6.403 357 1HG GLU 50 2HG GLU 50 -8.414 8.462 -5.278 358 2HG GLU 50 1HG GLU 50 -7.986 8.744 -6.964 359 H LYS 51 H LYS 51 -7.766 8.491 -8.876 360 HA LYS 51 HA LYS 51 -6.675 5.991 -9.992 361 1HB LYS 51 1HB LYS 51 -5.470 7.566 -11.648 362 2HB LYS 51 2HB LYS 51 -7.162 7.188 -11.939 363 1HG LYS 51 1HG LYS 51 -7.876 9.298 -11.358 364 2HG LYS 51 2HG LYS 51 -6.447 9.623 -10.376 365 1HD LYS 51 2HD LYS 51 -5.397 9.237 -12.891 366 2HD LYS 51 1HD LYS 51 -6.908 10.089 -13.214 367 1HE LYS 51 2HE LYS 51 -6.230 11.985 -12.152 368 2HE LYS 51 1HE LYS 51 -5.211 11.112 -11.009 369 1HZ LYS 51 1HZ LYS 51 -4.350 10.981 -13.762 370 2HZ LYS 51 2HZ LYS 51 -3.450 11.223 -12.357 371 H ARG 52 H ARG 52 -4.837 5.419 -9.051 372 HA ARG 52 HA ARG 52 -2.903 7.410 -8.207 373 1HB ARG 52 1HB ARG 52 -4.707 6.758 -6.366 374 2HB ARG 52 2HB ARG 52 -3.639 5.377 -6.153 375 1HG ARG 52 1HG ARG 52 -2.398 6.629 -4.815 376 2HG ARG 52 2HG ARG 52 -1.957 7.606 -6.217 377 1HD ARG 52 2HD ARG 52 -2.912 8.850 -4.225 378 2HD ARG 52 1HD ARG 52 -3.658 9.175 -5.789 379 1HH1 ARG 52 2HH1 ARG 52 -4.272 10.394 -3.756 380 2HH1 ARG 52 1HH1 ARG 52 -5.723 10.664 -2.852 381 1HH2 ARG 52 2HH2 ARG 52 -7.059 7.498 -3.501 382 2HH2 ARG 52 1HH2 ARG 52 -7.310 9.016 -2.707 383 H CYS 53 H CYS 53 -0.863 6.477 -7.516 384 HA CYS 53 HA CYS 53 -0.369 3.777 -8.622 385 1HB CYS 53 1HB CYS 53 2.049 5.288 -8.280 386 2HB CYS 53 2HB CYS 53 1.415 4.534 -9.731 387 H LEU 54 H LEU 54 -0.558 2.552 -6.818 388 HA LEU 54 HA LEU 54 0.502 3.491 -4.300 389 1HB LEU 54 2HB LEU 54 -0.673 0.773 -4.610 390 2HB LEU 54 1HB LEU 54 -0.802 1.901 -3.277 391 HG LEU 54 HG LEU 54 -2.338 1.885 -5.863 392 1HD1 LEU 54 1HD2 LEU 54 -3.895 0.987 -4.568 393 2HD1 LEU 54 2HD2 LEU 54 -3.909 2.456 -3.593 394 3HD1 LEU 54 3HD2 LEU 54 -2.842 1.120 -3.160 395 1HD2 LEU 54 1HD1 LEU 54 -1.705 4.187 -4.090 396 2HD2 LEU 54 2HD1 LEU 54 -3.333 4.059 -4.757 397 3HD2 LEU 54 3HD1 LEU 54 -1.941 4.135 -5.836 398 H ASN 55 H ASN 55 1.664 2.006 -2.862 399 HA ASN 55 HA ASN 55 3.470 0.141 -4.162 400 1HB ASN 55 2HB ASN 55 5.469 1.153 -3.118 401 2HB ASN 55 1HB ASN 55 4.717 2.246 -4.276 402 1HD2 ASN 55 2HD2 ASN 55 6.471 2.767 -1.979 403 2HD2 ASN 55 1HD2 ASN 55 5.612 3.886 -0.982 404 HA PRO 56 HA PRO 56 1.123 -1.307 -0.396 405 1HB PRO 56 1HB PRO 56 2.659 -3.552 -1.686 406 2HB PRO 56 2HB PRO 56 1.161 -3.653 -0.750 407 1HG PRO 56 1HG PRO 56 0.992 -3.500 -3.380 408 2HG PRO 56 2HG PRO 56 -0.077 -2.503 -2.383 409 1HD PRO 56 2HD PRO 56 2.259 -1.677 -4.018 410 2HD PRO 56 1HD PRO 56 0.842 -0.735 -3.510 411 H GLU 57 H GLU 57 2.310 -0.152 1.085 412 HA GLU 57 HA GLU 57 4.366 -1.729 2.429 413 1HB GLU 57 2HB GLU 57 5.461 0.505 3.068 414 2HB GLU 57 1HB GLU 57 5.747 -0.089 1.437 415 1HG GLU 57 1HG GLU 57 5.167 1.960 0.793 416 2HG GLU 57 2HG GLU 57 3.511 1.424 1.088 417 H SER 58 H SER 58 1.903 -2.003 3.166 418 HA SER 58 HA SER 58 1.629 -0.695 5.707 419 1HB SER 58 2HB SER 58 0.201 0.301 3.363 420 2HB SER 58 1HB SER 58 -0.905 -0.201 4.639 421 HG SER 58 HG SER 58 -0.293 1.438 5.808 422 H LYS 59 H LYS 59 -1.024 -1.238 6.249 423 HA LYS 59 HA LYS 59 -1.008 -4.134 6.348 424 1HB LYS 59 2HB LYS 59 -1.524 -2.949 8.388 425 2HB LYS 59 1HB LYS 59 -2.845 -2.109 7.598 426 1HG LYS 59 2HG LYS 59 -4.054 -4.194 7.332 427 2HG LYS 59 1HG LYS 59 -2.710 -5.079 8.057 428 1HD LYS 59 2HD LYS 59 -4.486 -4.714 9.686 429 2HD LYS 59 1HD LYS 59 -3.024 -3.837 10.145 430 1HE LYS 59 2HE LYS 59 -4.941 -2.345 8.476 431 2HE LYS 59 1HE LYS 59 -5.492 -2.746 10.102 432 1HZ LYS 59 1HZ LYS 59 -4.451 -0.697 10.309 433 2HZ LYS 59 2HZ LYS 59 -3.305 -1.796 10.872 434 H ALA 60 H ALA 60 -3.840 -2.025 5.938 435 HA ALA 60 HA ALA 60 -5.379 -3.752 4.428 436 1HB ALA 60 1HB ALA 60 -5.293 -0.772 4.636 437 2HB ALA 60 2HB ALA 60 -6.524 -1.902 5.207 438 3HB ALA 60 3HB ALA 60 -6.379 -1.550 3.485 439 H ILE 61 H ILE 61 -2.700 -1.779 3.484 440 HA ILE 61 HA ILE 61 -3.037 -1.662 0.730 441 HB ILE 61 HB ILE 61 -1.088 -0.948 2.575 442 1HG1 ILE 61 1HG1 ILE 61 -1.585 0.538 0.867 443 2HG1 ILE 61 2HG1 ILE 61 0.055 0.037 0.491 444 1HG2 ILE 61 1HG2 ILE 61 1.035 -1.692 1.497 445 2HG2 ILE 61 2HG2 ILE 61 0.105 -2.930 0.669 446 3HG2 ILE 61 3HG2 ILE 61 0.189 -2.921 2.430 447 1HD1 ILE 61 1HD1 ILE 61 -1.508 -1.776 -0.880 448 2HD1 ILE 61 2HD1 ILE 61 -0.667 -0.379 -1.557 449 3HD1 ILE 61 3HD1 ILE 61 -2.356 -0.241 -1.066 450 H LYS 62 H LYS 62 -1.992 -4.254 2.842 451 HA LYS 62 HA LYS 62 -0.988 -6.073 0.947 452 1HB LYS 62 1HB LYS 62 -2.444 -6.528 3.560 453 2HB LYS 62 2HB LYS 62 -1.721 -7.821 2.614 454 1HG LYS 62 2HG LYS 62 0.437 -6.371 2.796 455 2HG LYS 62 1HG LYS 62 -0.403 -5.649 4.171 456 1HD LYS 62 2HD LYS 62 -0.740 -7.963 5.070 457 2HD LYS 62 1HD LYS 62 0.313 -8.550 3.780 458 1HE LYS 62 1HE LYS 62 1.343 -8.079 6.093 459 2HE LYS 62 2HE LYS 62 2.187 -7.499 4.659 460 1HZ LYS 62 1HZ LYS 62 2.007 -5.872 6.507 461 2HZ LYS 62 2HZ LYS 62 0.340 -5.835 6.267 462 H ASN 63 H ASN 63 -4.190 -5.075 1.871 463 HA ASN 63 HA ASN 63 -5.682 -7.076 0.568 464 1HB ASN 63 2HB ASN 63 -6.480 -5.189 2.189 465 2HB ASN 63 1HB ASN 63 -6.599 -4.218 0.723 466 1HD2 ASN 63 1HD2 ASN 63 -8.862 -4.468 1.952 467 2HD2 ASN 63 2HD2 ASN 63 -9.906 -5.626 1.210 468 H LEU 64 H LEU 64 -4.047 -4.145 -0.471 469 HA LEU 64 HA LEU 64 -5.028 -3.726 -3.002 470 1HB LEU 64 2HB LEU 64 -3.044 -2.467 -2.049 471 2HB LEU 64 1HB LEU 64 -2.058 -3.851 -2.430 472 HG LEU 64 HG LEU 64 -3.321 -3.308 -4.828 473 1HD1 LEU 64 1HD1 LEU 64 -2.959 -0.812 -3.274 474 2HD1 LEU 64 2HD1 LEU 64 -4.187 -1.238 -4.474 475 3HD1 LEU 64 3HD1 LEU 64 -2.554 -0.794 -4.987 476 1HD2 LEU 64 1HD2 LEU 64 -0.806 -3.766 -4.050 477 2HD2 LEU 64 2HD2 LEU 64 -0.684 -2.030 -4.331 478 3HD2 LEU 64 3HD2 LEU 64 -1.199 -3.098 -5.632 479 H LEU 65 H LEU 65 -2.204 -5.743 -2.380 480 HA LEU 65 HA LEU 65 -2.244 -6.933 -4.918 481 1HB LEU 65 2HB LEU 65 -0.311 -6.885 -3.325 482 2HB LEU 65 1HB LEU 65 -1.103 -8.139 -2.392 483 HG LEU 65 HG LEU 65 -0.963 -9.050 -5.076 484 1HD1 LEU 65 1HD1 LEU 65 1.750 -8.252 -4.062 485 2HD1 LEU 65 2HD1 LEU 65 0.843 -7.282 -5.221 486 3HD1 LEU 65 3HD1 LEU 65 1.322 -8.928 -5.635 487 1HD2 LEU 65 1HD2 LEU 65 -0.221 -9.872 -2.402 488 2HD2 LEU 65 2HD2 LEU 65 0.953 -10.407 -3.605 489 3HD2 LEU 65 3HD2 LEU 65 -0.748 -10.843 -3.777 490 H LYS 66 H LYS 66 -4.157 -7.611 -2.146 491 HA LYS 66 HA LYS 66 -4.813 -10.315 -2.934 492 1HB LYS 66 2HB LYS 66 -5.701 -8.471 -0.754 493 2HB LYS 66 1HB LYS 66 -6.646 -9.905 -1.114 494 1HG LYS 66 1HG LYS 66 -4.479 -11.209 -0.841 495 2HG LYS 66 2HG LYS 66 -3.821 -9.736 -0.125 496 1HD LYS 66 2HD LYS 66 -5.663 -9.759 1.524 497 2HD LYS 66 1HD LYS 66 -6.221 -11.287 0.841 498 1HE LYS 66 1HE LYS 66 -3.474 -10.845 2.001 499 2HE LYS 66 2HE LYS 66 -4.830 -11.529 2.896 500 1HZ LYS 66 1HZ LYS 66 -3.173 -12.724 0.841 501 2HZ LYS 66 2HZ LYS 66 -4.818 -13.073 0.731 502 H ALA 67 H ALA 67 -6.805 -7.385 -2.485 503 HA ALA 67 HA ALA 67 -9.086 -8.250 -3.810 504 1HB ALA 67 1HB ALA 67 -8.786 -6.123 -2.470 505 2HB ALA 67 2HB ALA 67 -9.747 -5.982 -3.940 506 3HB ALA 67 3HB ALA 67 -8.076 -5.419 -3.923 507 H VAL 68 H VAL 68 -6.203 -6.668 -5.041 508 HA VAL 68 HA VAL 68 -6.851 -6.328 -7.711 509 HB VAL 68 HB VAL 68 -4.329 -6.810 -6.202 510 1HG1 VAL 68 1HG1 VAL 68 -3.277 -7.773 -7.943 511 2HG1 VAL 68 2HG1 VAL 68 -3.373 -6.188 -8.711 512 3HG1 VAL 68 3HG1 VAL 68 -4.597 -7.403 -9.052 513 1HG2 VAL 68 1HG2 VAL 68 -4.911 -4.608 -6.104 514 2HG2 VAL 68 2HG2 VAL 68 -5.509 -4.593 -7.762 515 3HG2 VAL 68 3HG2 VAL 68 -3.772 -4.632 -7.446 516 H SER 69 H SER 69 -5.152 -9.097 -6.239 517 HA SER 69 HA SER 69 -5.571 -10.708 -8.604 518 1HB SER 69 2HB SER 69 -3.446 -10.999 -7.596 519 2HB SER 69 1HB SER 69 -4.147 -11.157 -5.983 520 HG SER 69 HG SER 69 -3.777 -13.050 -7.927 521 H LYS 70 H LYS 70 -5.949 -11.778 -5.250 522 HA LYS 70 HA LYS 70 -8.268 -13.335 -6.018 523 1HB LYS 70 1HB LYS 70 -6.339 -14.032 -4.412 524 2HB LYS 70 2HB LYS 70 -7.229 -13.109 -3.209 525 1HG LYS 70 1HG LYS 70 -8.964 -14.917 -4.646 526 2HG LYS 70 2HG LYS 70 -7.612 -15.768 -3.895 527 1HD LYS 70 1HD LYS 70 -9.248 -13.758 -2.376 528 2HD LYS 70 2HD LYS 70 -9.747 -15.446 -2.508 529 1HE LYS 70 1HE LYS 70 -7.350 -15.974 -1.698 530 2HE LYS 70 2HE LYS 70 -7.328 -14.291 -1.172 531 1HZ LYS 70 1HZ LYS 70 -9.116 -16.462 -0.269 532 2HZ LYS 70 2HZ LYS 70 -9.472 -14.838 0.012 Start of MODEL 6 1 H VAL 7 H VAL 7 17.202 3.539 -1.801 2 HA VAL 7 HA VAL 7 16.157 2.272 -4.243 3 HB VAL 7 HB VAL 7 15.020 0.724 -2.499 4 1HG1 VAL 7 1HG1 VAL 7 17.300 -0.529 -2.270 5 2HG1 VAL 7 2HG1 VAL 7 17.880 0.738 -3.351 6 3HG1 VAL 7 3HG1 VAL 7 16.561 -0.317 -3.857 7 1HG2 VAL 7 1HG2 VAL 7 17.350 1.260 -0.759 8 2HG2 VAL 7 2HG2 VAL 7 15.725 0.715 -0.346 9 3HG2 VAL 7 3HG2 VAL 7 16.023 2.419 -0.686 10 H ARG 8 H ARG 8 14.237 2.903 -4.966 11 HA ARG 8 HA ARG 8 12.079 3.559 -3.194 12 1HB ARG 8 2HB ARG 8 11.780 5.846 -4.404 13 2HB ARG 8 1HB ARG 8 12.897 5.730 -3.052 14 1HG ARG 8 2HG ARG 8 14.764 5.864 -4.410 15 2HG ARG 8 1HG ARG 8 13.878 5.352 -5.849 16 1HD ARG 8 1HD ARG 8 13.624 7.998 -4.423 17 2HD ARG 8 2HD ARG 8 14.388 7.715 -5.987 18 1HH1 ARG 8 1HH2 ARG 8 13.516 9.792 -5.843 19 2HH1 ARG 8 2HH2 ARG 8 12.293 10.737 -6.627 20 1HH2 ARG 8 1HH1 ARG 8 10.129 8.039 -7.137 21 2HH2 ARG 8 2HH1 ARG 8 10.368 9.740 -7.362 22 H CYS 9 H CYS 9 10.277 4.684 -4.803 23 HA CYS 9 HA CYS 9 10.263 2.985 -7.208 24 1HB CYS 9 1HB CYS 9 7.592 3.534 -6.646 25 2HB CYS 9 2HB CYS 9 8.409 2.000 -6.439 26 H THR 10 H THR 10 8.101 3.921 -8.512 27 HA THR 10 HA THR 10 8.661 6.788 -8.867 28 HB THR 10 HB THR 10 8.546 6.525 -11.244 29 HG1 THR 10 HG1 THR 10 7.272 5.008 -11.918 30 1HG2 THR 10 1HG2 THR 10 10.697 5.997 -11.092 31 2HG2 THR 10 2HG2 THR 10 10.181 4.338 -11.392 32 3HG2 THR 10 3HG2 THR 10 10.425 4.899 -9.737 33 H CYS 11 H CYS 11 6.719 6.545 -7.268 34 HA CYS 11 HA CYS 11 4.323 7.048 -8.856 35 1HB CYS 11 2HB CYS 11 4.452 5.092 -6.554 36 2HB CYS 11 1HB CYS 11 2.950 5.723 -7.220 37 H ILE 12 H ILE 12 5.198 9.208 -8.183 38 HA ILE 12 HA ILE 12 5.391 10.179 -5.630 39 HB ILE 12 HB ILE 12 4.146 11.651 -7.953 40 1HG1 ILE 12 2HG1 ILE 12 7.035 11.401 -7.078 41 2HG1 ILE 12 1HG1 ILE 12 6.332 10.743 -8.553 42 1HG2 ILE 12 1HG2 ILE 12 3.744 12.821 -5.898 43 2HG2 ILE 12 2HG2 ILE 12 5.018 13.660 -6.783 44 3HG2 ILE 12 3HG2 ILE 12 5.428 12.631 -5.410 45 1HD1 ILE 12 1HD1 ILE 12 7.683 12.894 -8.725 46 2HD1 ILE 12 2HD1 ILE 12 6.287 13.679 -7.986 47 3HD1 ILE 12 3HD1 ILE 12 6.113 12.842 -9.529 48 H SER 13 H SER 13 2.513 9.267 -7.349 49 HA SER 13 HA SER 13 0.833 10.399 -5.223 50 1HB SER 13 1HB SER 13 0.417 10.727 -7.798 51 2HB SER 13 2HB SER 13 -0.293 9.117 -7.687 52 HG SER 13 HG SER 13 -1.436 11.394 -7.087 53 H ILE 14 H ILE 14 1.465 8.763 -3.702 54 HA ILE 14 HA ILE 14 0.522 6.047 -4.267 55 HB ILE 14 HB ILE 14 1.636 5.431 -2.149 56 1HG1 ILE 14 1HG1 ILE 14 2.769 8.230 -2.129 57 2HG1 ILE 14 2HG1 ILE 14 1.356 7.780 -1.176 58 1HG2 ILE 14 1HG2 ILE 14 3.564 5.114 -3.240 59 2HG2 ILE 14 2HG2 ILE 14 3.825 6.842 -3.474 60 3HG2 ILE 14 3HG2 ILE 14 2.779 5.952 -4.579 61 1HD1 ILE 14 1HD1 ILE 14 3.396 5.872 -0.686 62 2HD1 ILE 14 2HD1 ILE 14 2.672 7.034 0.426 63 3HD1 ILE 14 3HD1 ILE 14 4.086 7.488 -0.525 64 H SER 15 H SER 15 -0.695 4.922 -2.525 65 HA SER 15 HA SER 15 -2.742 6.717 -1.464 66 1HB SER 15 2HB SER 15 -3.632 4.890 -2.745 67 2HB SER 15 1HB SER 15 -2.693 3.715 -1.824 68 HG SER 15 HG SER 15 -4.769 3.724 -1.020 69 H ASN 16 H ASN 16 -1.900 3.592 -0.054 70 HA ASN 16 HA ASN 16 -1.657 3.029 2.157 71 1HB ASN 16 1HB ASN 16 0.378 4.200 3.191 72 2HB ASN 16 2HB ASN 16 0.634 3.300 1.701 73 1HD2 ASN 16 1HD2 ASN 16 0.847 6.307 3.253 74 2HD2 ASN 16 2HD2 ASN 16 1.392 7.236 1.901 75 H GLN 17 H GLN 17 -3.632 5.063 1.663 76 HA GLN 17 HA GLN 17 -3.542 6.533 4.213 77 1HB GLN 17 2HB GLN 17 -4.351 8.420 3.208 78 2HB GLN 17 1HB GLN 17 -3.491 7.729 1.849 79 1HG GLN 17 1HG GLN 17 -5.678 6.681 1.149 80 2HG GLN 17 2HG GLN 17 -6.444 7.723 2.346 81 1HE2 GLN 17 2HE2 GLN 17 -6.690 9.867 1.933 82 2HE2 GLN 17 1HE2 GLN 17 -6.294 10.602 0.420 83 HA PRO 18 HA PRO 18 -7.424 5.155 5.762 84 1HB PRO 18 2HB PRO 18 -8.854 7.434 4.461 85 2HB PRO 18 1HB PRO 18 -9.018 6.803 6.104 86 1HG PRO 18 1HG PRO 18 -7.589 8.999 5.641 87 2HG PRO 18 2HG PRO 18 -7.049 7.796 6.824 88 1HD PRO 18 2HD PRO 18 -5.999 8.393 4.117 89 2HD PRO 18 1HD PRO 18 -5.154 7.758 5.538 90 H VAL 19 H VAL 19 -7.350 6.010 2.398 91 HA VAL 19 HA VAL 19 -9.515 4.122 1.853 92 HB VAL 19 HB VAL 19 -9.995 6.159 0.817 93 1HG1 VAL 19 1HG1 VAL 19 -7.121 6.206 -0.057 94 2HG1 VAL 19 2HG1 VAL 19 -7.927 7.292 1.078 95 3HG1 VAL 19 3HG1 VAL 19 -8.341 7.342 -0.640 96 1HG2 VAL 19 1HG2 VAL 19 -9.516 3.916 -0.765 97 2HG2 VAL 19 2HG2 VAL 19 -8.886 5.288 -1.679 98 3HG2 VAL 19 3HG2 VAL 19 -10.564 5.288 -1.132 99 H ASN 20 H ASN 20 -7.845 2.496 2.490 100 HA ASN 20 HA ASN 20 -5.679 1.844 0.787 101 1HB ASN 20 2HB ASN 20 -7.342 0.009 2.540 102 2HB ASN 20 1HB ASN 20 -5.707 -0.285 1.979 103 1HD2 ASN 20 1HD2 ASN 20 -4.115 1.456 2.539 104 2HD2 ASN 20 2HD2 ASN 20 -4.181 2.053 4.160 105 HA PRO 21 HA PRO 21 -7.385 -0.337 -2.637 106 1HB PRO 21 1HB PRO 21 -7.195 -3.067 -1.463 107 2HB PRO 21 2HB PRO 21 -6.637 -2.460 -3.042 108 1HG PRO 21 2HG PRO 21 -4.888 -2.806 -1.073 109 2HG PRO 21 1HG PRO 21 -4.801 -1.354 -2.081 110 1HD PRO 21 1HD PRO 21 -5.910 -1.712 0.674 111 2HD PRO 21 2HD PRO 21 -4.865 -0.419 0.042 112 H ARG 22 H ARG 22 -8.986 -0.785 0.381 113 HA ARG 22 HA ARG 22 -11.310 -2.158 -0.251 114 1HB ARG 22 1HB ARG 22 -10.522 -0.177 1.674 115 2HB ARG 22 2HB ARG 22 -12.097 0.257 1.028 116 1HG ARG 22 1HG ARG 22 -12.571 -2.312 1.492 117 2HG ARG 22 2HG ARG 22 -11.301 -2.058 2.689 118 1HD ARG 22 1HD ARG 22 -12.783 0.105 3.186 119 2HD ARG 22 2HD ARG 22 -14.046 -0.955 2.562 120 1HH1 ARG 22 1HH2 ARG 22 -14.535 -2.850 2.650 121 2HH1 ARG 22 2HH2 ARG 22 -15.068 -4.095 3.732 122 1HH2 ARG 22 1HH1 ARG 22 -13.330 -2.840 6.493 123 2HH2 ARG 22 2HH1 ARG 22 -14.382 -4.088 5.917 124 H SER 23 H SER 23 -10.103 0.946 -1.202 125 HA SER 23 HA SER 23 -12.255 1.343 -3.159 126 1HB SER 23 2HB SER 23 -11.328 3.264 -1.699 127 2HB SER 23 1HB SER 23 -9.868 3.138 -2.677 128 HG SER 23 HG SER 23 -11.136 4.651 -3.645 129 H LEU 24 H LEU 24 -11.746 -0.310 -4.602 130 HA LEU 24 HA LEU 24 -9.195 -0.064 -6.058 131 1HB LEU 24 2HB LEU 24 -8.574 -1.695 -4.450 132 2HB LEU 24 1HB LEU 24 -10.093 -2.552 -4.622 133 HG LEU 24 HG LEU 24 -8.715 -2.488 -7.152 134 1HD1 LEU 24 1HD2 LEU 24 -6.840 -2.375 -5.235 135 2HD1 LEU 24 2HD2 LEU 24 -6.636 -3.292 -6.728 136 3HD1 LEU 24 3HD2 LEU 24 -7.135 -4.114 -5.250 137 1HD2 LEU 24 1HD1 LEU 24 -8.770 -5.056 -6.500 138 2HD2 LEU 24 2HD1 LEU 24 -10.219 -4.180 -6.999 139 3HD2 LEU 24 3HD1 LEU 24 -9.902 -4.458 -5.286 140 H GLU 25 H GLU 25 -9.407 -0.547 -8.226 141 HA GLU 25 HA GLU 25 -11.854 -1.918 -9.092 142 1HB GLU 25 1HB GLU 25 -11.949 0.773 -9.010 143 2HB GLU 25 2HB GLU 25 -11.251 0.565 -10.607 144 1HG GLU 25 2HG GLU 25 -13.638 -1.050 -9.920 145 2HG GLU 25 1HG GLU 25 -13.853 0.673 -10.222 146 H LYS 26 H LYS 26 -9.455 0.066 -10.778 147 HA LYS 26 HA LYS 26 -8.848 -2.248 -12.483 148 1HB LYS 26 2HB LYS 26 -8.077 0.550 -13.221 149 2HB LYS 26 1HB LYS 26 -8.430 -0.814 -14.268 150 1HG LYS 26 2HG LYS 26 -10.573 0.473 -12.611 151 2HG LYS 26 1HG LYS 26 -10.107 1.112 -14.190 152 1HD LYS 26 1HD LYS 26 -10.789 -1.786 -13.857 153 2HD LYS 26 2HD LYS 26 -12.061 -0.578 -14.048 154 1HE LYS 26 1HE LYS 26 -9.775 -0.610 -15.963 155 2HE LYS 26 2HE LYS 26 -11.065 -1.800 -16.136 156 1HZ LYS 26 1HZ LYS 26 -11.417 1.142 -16.090 157 2HZ LYS 26 2HZ LYS 26 -12.660 0.014 -16.231 158 1HN MLE 27 1HM LEM 27 -7.708 -3.711 -11.960 159 2HN MLE 27 2HM LEM 27 -8.272 -3.412 -10.318 160 3HN MLE 27 3HM LEM 27 -6.748 -4.255 -10.586 161 HA MLE 27 HA LEM 27 -5.067 -1.261 -10.419 162 1HB MLE 27 1HB LEM 27 -5.019 -3.499 -8.636 163 2HB MLE 27 2HB LEM 27 -6.627 -2.806 -8.636 164 HG MLE 27 HG LEM 27 -4.488 -0.834 -8.420 165 1HD1 MLE 27 1HD1 LEM 27 -7.182 -1.347 -7.374 166 2HD1 MLE 27 2HD1 LEM 27 -6.448 0.151 -7.929 167 3HD1 MLE 27 3HD1 LEM 27 -6.093 -0.456 -6.311 168 1HD2 MLE 27 1HD2 LEM 27 -3.914 -3.089 -7.095 169 2HD2 MLE 27 2HD2 LEM 27 -4.911 -2.258 -5.904 170 3HD2 MLE 27 3HD2 LEM 27 -3.465 -1.476 -6.548 171 H GLU 28 H GLU 28 -3.594 -1.651 -11.927 172 HA GLU 28 HA GLU 28 -2.958 -4.385 -12.725 173 1HB GLU 28 2HB GLU 28 -3.128 -2.699 -14.487 174 2HB GLU 28 1HB GLU 28 -1.890 -1.731 -13.703 175 1HG GLU 28 1HG GLU 28 -1.210 -3.116 -15.700 176 2HG GLU 28 2HG GLU 28 -0.203 -3.243 -14.258 177 H ILE 29 H ILE 29 -1.707 -5.423 -11.283 178 HA ILE 29 HA ILE 29 0.287 -3.968 -9.786 179 HB ILE 29 HB ILE 29 0.504 -5.873 -8.410 180 1HG1 ILE 29 2HG1 ILE 29 -0.872 -7.995 -9.119 181 2HG1 ILE 29 1HG1 ILE 29 -0.676 -7.346 -10.745 182 1HG2 ILE 29 1HG2 ILE 29 -1.508 -5.643 -7.473 183 2HG2 ILE 29 2HG2 ILE 29 -2.325 -6.346 -8.869 184 3HG2 ILE 29 3HG2 ILE 29 -1.913 -4.632 -8.862 185 1HD1 ILE 29 1HD1 ILE 29 1.866 -7.240 -9.618 186 2HD1 ILE 29 2HD1 ILE 29 1.274 -8.383 -10.826 187 3HD1 ILE 29 3HD1 ILE 29 1.193 -8.792 -9.112 188 H ILE 30 H ILE 30 2.423 -4.131 -9.883 189 HA ILE 30 HA ILE 30 3.645 -5.921 -11.860 190 HB ILE 30 HB ILE 30 5.112 -3.432 -11.421 191 1HG1 ILE 30 2HG1 ILE 30 2.907 -2.440 -11.550 192 2HG1 ILE 30 1HG1 ILE 30 3.740 -2.200 -13.073 193 1HG2 ILE 30 1HG2 ILE 30 4.656 -3.966 -14.145 194 2HG2 ILE 30 2HG2 ILE 30 4.873 -5.526 -13.355 195 3HG2 ILE 30 3HG2 ILE 30 6.116 -4.285 -13.207 196 1HD1 ILE 30 1HD1 ILE 30 2.332 -4.592 -13.352 197 2HD1 ILE 30 2HD1 ILE 30 2.002 -3.038 -14.122 198 3HD1 ILE 30 3HD1 ILE 30 1.232 -3.442 -12.589 199 HA PRO 31 HA PRO 31 6.256 -6.808 -8.382 200 1HB PRO 31 1HB PRO 31 8.361 -7.993 -9.574 201 2HB PRO 31 2HB PRO 31 6.754 -8.722 -9.552 202 1HG PRO 31 2HG PRO 31 8.214 -7.461 -11.779 203 2HG PRO 31 1HG PRO 31 6.902 -8.647 -11.823 204 1HD PRO 31 1HD PRO 31 6.739 -5.811 -12.196 205 2HD PRO 31 2HD PRO 31 5.419 -6.995 -12.237 206 H ALA 32 H ALA 32 6.825 -4.755 -7.558 207 HA ALA 32 HA ALA 32 9.091 -3.333 -8.638 208 1HB ALA 32 1HB ALA 32 7.029 -2.348 -7.392 209 2HB ALA 32 2HB ALA 32 8.625 -1.649 -7.120 210 3HB ALA 32 3HB ALA 32 7.939 -2.756 -5.939 211 H SER 33 H SER 33 11.169 -3.524 -8.016 212 HA SER 33 HA SER 33 11.929 -4.497 -5.441 213 1HB SER 33 2HB SER 33 13.344 -6.344 -6.944 214 2HB SER 33 1HB SER 33 11.940 -6.695 -5.937 215 HG SER 33 HG SER 33 12.121 -6.406 -8.711 216 H GLN 34 H GLN 34 13.067 -4.147 -8.790 217 HA GLN 34 HA GLN 34 15.725 -3.762 -8.488 218 1HB GLN 34 1HB GLN 34 14.681 -3.684 -10.664 219 2HB GLN 34 2HB GLN 34 13.839 -2.195 -10.254 220 1HG GLN 34 1HG GLN 34 15.643 -1.610 -11.659 221 2HG GLN 34 2HG GLN 34 16.076 -1.098 -10.028 222 1HE2 GLN 34 2HE2 GLN 34 17.166 -2.614 -12.740 223 2HE2 GLN 34 1HE2 GLN 34 18.492 -3.492 -12.063 224 H PHE 35 H PHE 35 13.214 -1.396 -7.759 225 HA PHE 35 HA PHE 35 15.256 0.216 -6.388 226 1HB PHE 35 2HB PHE 35 12.930 1.314 -7.981 227 2HB PHE 35 1HB PHE 35 14.116 2.263 -7.092 228 HD1 PHE 35 HD1 PHE 35 13.229 1.125 -10.247 229 HD2 PHE 35 HD2 PHE 35 16.635 1.695 -7.761 230 HE1 PHE 35 HE1 PHE 35 14.667 1.206 -12.242 231 HE2 PHE 35 HE2 PHE 35 18.079 1.778 -9.750 232 HZ PHE 35 HZ PHE 35 17.096 1.533 -11.995 233 H CYS 36 H CYS 36 11.784 -0.493 -6.686 234 HA CYS 36 HA CYS 36 11.508 0.169 -3.838 235 1HB CYS 36 1HB CYS 36 10.114 1.382 -5.738 236 2HB CYS 36 2HB CYS 36 9.115 -0.063 -5.602 237 HA PRO 37 HA PRO 37 10.894 -4.336 -3.627 238 1HB PRO 37 2HB PRO 37 11.154 -4.550 -0.973 239 2HB PRO 37 1HB PRO 37 12.564 -4.215 -1.993 240 1HG PRO 37 2HG PRO 37 10.793 -2.250 -0.553 241 2HG PRO 37 1HG PRO 37 12.554 -2.430 -0.405 242 1HD PRO 37 2HD PRO 37 11.515 -0.592 -2.019 243 2HD PRO 37 1HD PRO 37 12.920 -1.547 -2.550 244 H ARG 38 H ARG 38 8.631 -3.359 -4.260 245 HA ARG 38 HA ARG 38 6.719 -4.386 -2.368 246 1HB ARG 38 2HB ARG 38 5.775 -1.761 -3.191 247 2HB ARG 38 1HB ARG 38 5.790 -2.490 -1.596 248 1HG ARG 38 2HG ARG 38 8.351 -1.409 -2.653 249 2HG ARG 38 1HG ARG 38 7.107 -0.276 -2.133 250 1HD ARG 38 2HD ARG 38 7.205 -2.209 -0.128 251 2HD ARG 38 1HD ARG 38 8.887 -1.897 -0.549 252 1HH1 ARG 38 1HH2 ARG 38 7.989 -2.209 1.764 253 2HH1 ARG 38 2HH2 ARG 38 7.998 -1.281 3.227 254 1HH2 ARG 38 1HH1 ARG 38 7.811 1.812 1.609 255 2HH2 ARG 38 2HH1 ARG 38 7.896 1.005 3.139 256 H VAL 39 H VAL 39 4.440 -3.120 -3.586 257 HA VAL 39 HA VAL 39 4.539 -4.490 -6.172 258 HB VAL 39 HB VAL 39 1.942 -3.482 -5.077 259 1HG1 VAL 39 1HG2 VAL 39 1.808 -4.475 -7.201 260 2HG1 VAL 39 2HG2 VAL 39 1.236 -5.708 -6.077 261 3HG1 VAL 39 3HG2 VAL 39 2.868 -5.808 -6.742 262 1HG2 VAL 39 1HG1 VAL 39 3.193 -4.625 -3.190 263 2HG2 VAL 39 2HG1 VAL 39 3.140 -6.096 -4.161 264 3HG2 VAL 39 3HG1 VAL 39 1.641 -5.337 -3.624 265 H GLU 40 H GLU 40 4.558 -3.378 -8.003 266 HA GLU 40 HA GLU 40 4.182 -0.480 -7.931 267 1HB GLU 40 1HB GLU 40 5.420 -2.429 -9.801 268 2HB GLU 40 2HB GLU 40 4.617 -1.057 -10.549 269 1HG GLU 40 2HG GLU 40 6.372 -0.337 -8.334 270 2HG GLU 40 1HG GLU 40 7.191 -1.099 -9.695 271 H ILE 41 H ILE 41 2.209 0.382 -8.435 272 HA ILE 41 HA ILE 41 0.395 -1.281 -10.002 273 HB ILE 41 HB ILE 41 0.436 -1.727 -7.428 274 1HG1 ILE 41 1HG1 ILE 41 -1.030 -2.896 -8.884 275 2HG1 ILE 41 2HG1 ILE 41 -2.004 -2.288 -7.552 276 1HG2 ILE 41 1HG2 ILE 41 -0.018 0.743 -6.953 277 2HG2 ILE 41 2HG2 ILE 41 -0.925 -0.464 -6.044 278 3HG2 ILE 41 3HG2 ILE 41 -1.685 0.377 -7.395 279 1HD1 ILE 41 1HD1 ILE 41 -2.534 -0.320 -9.081 280 2HD1 ILE 41 2HD1 ILE 41 -3.268 -1.877 -9.435 281 3HD1 ILE 41 3HD1 ILE 41 -1.893 -1.330 -10.374 282 H ILE 42 H ILE 42 -0.745 -0.171 -11.374 283 HA ILE 42 HA ILE 42 -1.261 2.677 -10.933 284 HB ILE 42 HB ILE 42 -2.140 1.068 -13.321 285 1HG1 ILE 42 2HG1 ILE 42 0.306 0.863 -13.108 286 2HG1 ILE 42 1HG1 ILE 42 -0.132 1.869 -14.486 287 1HG2 ILE 42 1HG2 ILE 42 -1.634 3.655 -14.087 288 2HG2 ILE 42 2HG2 ILE 42 -2.262 3.848 -12.447 289 3HG2 ILE 42 3HG2 ILE 42 -3.217 3.000 -13.665 290 1HD1 ILE 42 1HD1 ILE 42 0.174 3.588 -12.277 291 2HD1 ILE 42 2HD1 ILE 42 1.191 3.454 -13.712 292 3HD1 ILE 42 3HD1 ILE 42 1.550 2.487 -12.282 293 H ALA 43 H ALA 43 -2.671 2.417 -9.205 294 HA ALA 43 HA ALA 43 -4.917 0.638 -9.444 295 1HB ALA 43 1HB ALA 43 -5.370 1.498 -7.086 296 2HB ALA 43 2HB ALA 43 -3.857 2.386 -7.249 297 3HB ALA 43 3HB ALA 43 -3.859 0.626 -7.338 298 H THR 44 H THR 44 -6.817 1.110 -10.154 299 HA THR 44 HA THR 44 -7.767 3.891 -10.033 300 HB THR 44 HB THR 44 -8.738 1.563 -11.699 301 HG1 THR 44 HG1 THR 44 -7.418 2.477 -13.035 302 1HG2 THR 44 1HG2 THR 44 -10.029 4.219 -11.194 303 2HG2 THR 44 2HG2 THR 44 -10.748 2.608 -11.129 304 3HG2 THR 44 3HG2 THR 44 -10.299 3.310 -12.683 305 H MET 45 H MET 45 -9.243 4.351 -8.544 306 HA MET 45 HA MET 45 -9.840 2.291 -6.646 307 1HB MET 45 2HB MET 45 -9.875 5.251 -6.744 308 2HB MET 45 1HB MET 45 -10.949 4.498 -5.584 309 1HG MET 45 2HG MET 45 -9.145 3.448 -4.463 310 2HG MET 45 1HG MET 45 -8.021 3.860 -5.759 311 1HE MET 45 1HE MET 45 -6.086 5.602 -4.431 312 2HE MET 45 2HE MET 45 -6.777 4.257 -3.524 313 3HE MET 45 3HE MET 45 -6.669 5.856 -2.785 314 H LYS 46 H LYS 46 -11.623 1.095 -6.623 315 HA LYS 46 HA LYS 46 -14.106 2.149 -7.751 316 1HB LYS 46 2HB LYS 46 -13.278 -0.337 -7.996 317 2HB LYS 46 1HB LYS 46 -13.947 -0.509 -6.387 318 1HG LYS 46 1HG LYS 46 -15.597 0.708 -8.552 319 2HG LYS 46 2HG LYS 46 -15.397 -1.045 -8.475 320 1HD LYS 46 2HD LYS 46 -16.098 0.321 -5.947 321 2HD LYS 46 1HD LYS 46 -17.350 0.268 -7.190 322 1HE LYS 46 1HE LYS 46 -17.354 -2.086 -7.234 323 2HE LYS 46 2HE LYS 46 -15.835 -2.183 -6.343 324 1HZ LYS 46 1HZ LYS 46 -18.317 -2.386 -5.280 325 2HZ LYS 46 2HZ LYS 46 -17.905 -0.790 -4.927 326 H LYS 47 H LYS 47 -14.795 3.607 -6.407 327 HA LYS 47 HA LYS 47 -16.082 3.166 -4.032 328 1HB LYS 47 2HB LYS 47 -13.473 2.848 -3.449 329 2HB LYS 47 1HB LYS 47 -13.623 4.579 -3.226 330 1HG LYS 47 1HG LYS 47 -15.521 4.144 -1.709 331 2HG LYS 47 2HG LYS 47 -15.132 2.426 -1.800 332 1HD LYS 47 2HD LYS 47 -12.897 4.245 -1.156 333 2HD LYS 47 1HD LYS 47 -14.150 4.091 0.076 334 1HE LYS 47 1HE LYS 47 -13.133 1.599 -1.171 335 2HE LYS 47 2HE LYS 47 -12.072 2.441 -0.042 336 1HZ LYS 47 1HZ LYS 47 -14.558 2.384 1.143 337 2HZ LYS 47 2HZ LYS 47 -14.352 0.844 0.490 338 H LYS 48 H LYS 48 -14.042 5.255 -5.917 339 HA LYS 48 HA LYS 48 -16.059 7.302 -6.007 340 1HB LYS 48 1HB LYS 48 -14.776 7.629 -3.846 341 2HB LYS 48 2HB LYS 48 -13.372 8.009 -4.836 342 1HG LYS 48 2HG LYS 48 -14.343 10.068 -4.195 343 2HG LYS 48 1HG LYS 48 -14.718 9.828 -5.903 344 1HD LYS 48 1HD LYS 48 -16.877 10.074 -5.439 345 2HD LYS 48 2HD LYS 48 -16.805 8.637 -4.417 346 1HE LYS 48 2HE LYS 48 -16.235 11.470 -3.558 347 2HE LYS 48 1HE LYS 48 -17.679 10.535 -3.173 348 1HZ LYS 48 1HZ LYS 48 -15.235 10.608 -1.813 349 2HZ LYS 48 2HZ LYS 48 -16.639 9.771 -1.407 350 H GLY 49 H GLY 49 -14.467 5.512 -7.780 351 1HA GLY 49 1HA GLY 49 -13.231 5.576 -9.724 352 2HA GLY 49 2HA GLY 49 -14.220 6.993 -10.036 353 H GLU 50 H GLU 50 -11.319 6.084 -8.161 354 HA GLU 50 HA GLU 50 -10.080 8.569 -9.148 355 1HB GLU 50 1HB GLU 50 -10.734 8.712 -6.743 356 2HB GLU 50 2HB GLU 50 -9.659 7.361 -6.411 357 1HG GLU 50 2HG GLU 50 -7.997 9.070 -7.717 358 2HG GLU 50 1HG GLU 50 -9.056 10.187 -6.856 359 H LYS 51 H LYS 51 -8.254 8.294 -10.235 360 HA LYS 51 HA LYS 51 -6.968 5.685 -10.211 361 1HB LYS 51 2HB LYS 51 -7.499 7.088 -12.311 362 2HB LYS 51 1HB LYS 51 -6.100 8.053 -11.855 363 1HG LYS 51 1HG LYS 51 -5.153 5.469 -11.734 364 2HG LYS 51 2HG LYS 51 -6.232 5.451 -13.131 365 1HD LYS 51 2HD LYS 51 -4.531 7.818 -13.015 366 2HD LYS 51 1HD LYS 51 -3.623 6.309 -13.130 367 1HE LYS 51 2HE LYS 51 -5.957 6.576 -14.919 368 2HE LYS 51 1HE LYS 51 -4.585 7.627 -15.264 369 1HZ LYS 51 1HZ LYS 51 -3.454 5.939 -16.093 370 2HZ LYS 51 2HZ LYS 51 -4.867 5.023 -16.025 371 H ARG 52 H ARG 52 -5.025 5.239 -9.349 372 HA ARG 52 HA ARG 52 -3.242 7.369 -8.504 373 1HB ARG 52 1HB ARG 52 -5.022 6.796 -6.678 374 2HB ARG 52 2HB ARG 52 -4.051 5.350 -6.434 375 1HG ARG 52 1HG ARG 52 -2.096 6.746 -5.973 376 2HG ARG 52 2HG ARG 52 -3.081 8.192 -6.202 377 1HD ARG 52 1HD ARG 52 -4.089 6.193 -4.271 378 2HD ARG 52 2HD ARG 52 -2.636 7.077 -3.805 379 1HH1 ARG 52 2HH1 ARG 52 -1.928 8.938 -4.136 380 2HH1 ARG 52 1HH1 ARG 52 -2.185 10.592 -3.693 381 1HH2 ARG 52 2HH2 ARG 52 -5.656 10.277 -3.400 382 2HH2 ARG 52 1HH2 ARG 52 -4.305 11.355 -3.276 383 H CYS 53 H CYS 53 -1.172 6.538 -7.694 384 HA CYS 53 HA CYS 53 -0.558 3.859 -8.776 385 1HB CYS 53 2HB CYS 53 0.514 5.905 -9.901 386 2HB CYS 53 1HB CYS 53 1.456 6.080 -8.424 387 H LEU 54 H LEU 54 -0.804 2.663 -6.933 388 HA LEU 54 HA LEU 54 0.341 3.600 -4.445 389 1HB LEU 54 2HB LEU 54 -0.842 0.888 -4.657 390 2HB LEU 54 1HB LEU 54 -0.977 2.072 -3.375 391 HG LEU 54 HG LEU 54 -2.531 1.910 -5.937 392 1HD1 LEU 54 1HD1 LEU 54 -4.144 1.147 -4.623 393 2HD1 LEU 54 2HD1 LEU 54 -4.009 2.561 -3.576 394 3HD1 LEU 54 3HD1 LEU 54 -3.003 1.144 -3.278 395 1HD2 LEU 54 1HD2 LEU 54 -2.357 4.148 -6.072 396 2HD2 LEU 54 2HD2 LEU 54 -1.792 4.308 -4.410 397 3HD2 LEU 54 3HD2 LEU 54 -3.516 4.133 -4.743 398 H ASN 55 H ASN 55 1.573 2.157 -3.072 399 HA ASN 55 HA ASN 55 3.256 0.203 -4.409 400 1HB ASN 55 1HB ASN 55 4.184 2.844 -3.433 401 2HB ASN 55 2HB ASN 55 5.168 1.465 -2.949 402 1HD2 ASN 55 1HD2 ASN 55 4.920 3.794 -5.174 403 2HD2 ASN 55 2HD2 ASN 55 5.673 3.021 -6.524 404 HA PRO 56 HA PRO 56 0.973 -1.205 -0.589 405 1HB PRO 56 2HB PRO 56 2.741 -3.296 -1.840 406 2HB PRO 56 1HB PRO 56 1.284 -3.559 -0.864 407 1HG PRO 56 1HG PRO 56 1.044 -3.410 -3.491 408 2HG PRO 56 2HG PRO 56 -0.113 -2.556 -2.468 409 1HD PRO 56 2HD PRO 56 2.014 -1.453 -4.192 410 2HD PRO 56 1HD PRO 56 0.574 -0.654 -3.532 411 H GLU 57 H GLU 57 2.157 0.284 0.690 412 HA GLU 57 HA GLU 57 4.381 -0.994 2.126 413 1HB GLU 57 2HB GLU 57 4.966 1.330 2.885 414 2HB GLU 57 1HB GLU 57 5.175 1.049 1.162 415 1HG GLU 57 1HG GLU 57 3.953 2.852 0.786 416 2HG GLU 57 2HG GLU 57 2.561 1.990 1.441 417 H SER 58 H SER 58 1.173 0.247 2.320 418 HA SER 58 HA SER 58 1.087 0.643 5.155 419 1HB SER 58 1HB SER 58 -0.465 1.356 2.935 420 2HB SER 58 2HB SER 58 -1.499 0.293 3.877 421 HG SER 58 HG SER 58 -1.794 1.918 5.161 422 H LYS 59 H LYS 59 -1.406 -0.451 5.787 423 HA LYS 59 HA LYS 59 -0.683 -3.242 6.190 424 1HB LYS 59 1HB LYS 59 -3.103 -1.874 7.314 425 2HB LYS 59 2HB LYS 59 -2.282 -3.298 7.924 426 1HG LYS 59 2HG LYS 59 -0.456 -2.020 8.714 427 2HG LYS 59 1HG LYS 59 -0.996 -0.583 7.842 428 1HD LYS 59 2HD LYS 59 -3.109 -0.727 9.275 429 2HD LYS 59 1HD LYS 59 -2.200 -1.858 10.281 430 1HE LYS 59 2HE LYS 59 -1.233 0.907 9.585 431 2HE LYS 59 1HE LYS 59 -2.150 0.534 11.045 432 1HZ LYS 59 1HZ LYS 59 0.527 -0.472 10.287 433 2HZ LYS 59 2HZ LYS 59 0.135 0.515 11.594 434 H ALA 60 H ALA 60 -3.876 -1.736 5.563 435 HA ALA 60 HA ALA 60 -5.051 -3.950 4.330 436 1HB ALA 60 1HB ALA 60 -6.694 -2.446 4.656 437 2HB ALA 60 2HB ALA 60 -6.257 -1.880 3.044 438 3HB ALA 60 3HB ALA 60 -5.607 -1.070 4.469 439 H ILE 61 H ILE 61 -2.754 -1.653 3.210 440 HA ILE 61 HA ILE 61 -2.875 -1.716 0.489 441 HB ILE 61 HB ILE 61 -1.083 -0.956 2.495 442 1HG1 ILE 61 1HG1 ILE 61 -1.523 0.624 0.885 443 2HG1 ILE 61 2HG1 ILE 61 0.125 0.164 0.490 444 1HG2 ILE 61 1HG2 ILE 61 0.216 -2.960 2.254 445 2HG2 ILE 61 2HG2 ILE 61 1.129 -1.567 1.699 446 3HG2 ILE 61 3HG2 ILE 61 0.402 -2.658 0.533 447 1HD1 ILE 61 1HD1 ILE 61 -0.587 -0.126 -1.580 448 2HD1 ILE 61 2HD1 ILE 61 -2.276 -0.030 -1.084 449 3HD1 ILE 61 3HD1 ILE 61 -1.419 -1.568 -0.998 450 H LYS 62 H LYS 62 -1.536 -4.132 2.700 451 HA LYS 62 HA LYS 62 -0.379 -5.906 0.880 452 1HB LYS 62 1HB LYS 62 -1.867 -6.602 3.425 453 2HB LYS 62 2HB LYS 62 -0.722 -7.638 2.583 454 1HG LYS 62 1HG LYS 62 0.441 -5.068 3.193 455 2HG LYS 62 2HG LYS 62 -0.171 -5.868 4.642 456 1HD LYS 62 2HD LYS 62 1.584 -7.252 2.625 457 2HD LYS 62 1HD LYS 62 2.226 -6.380 4.019 458 1HE LYS 62 2HE LYS 62 0.187 -8.064 4.986 459 2HE LYS 62 1HE LYS 62 1.159 -9.033 3.881 460 1HZ LYS 62 1HZ LYS 62 2.917 -8.979 5.234 461 2HZ LYS 62 2HZ LYS 62 1.771 -8.660 6.428 462 H ASN 63 H ASN 63 -3.696 -5.334 1.775 463 HA ASN 63 HA ASN 63 -4.832 -7.584 0.444 464 1HB ASN 63 1HB ASN 63 -5.802 -5.742 2.196 465 2HB ASN 63 2HB ASN 63 -6.467 -5.132 0.685 466 1HD2 ASN 63 2HD2 ASN 63 -5.947 -8.325 2.154 467 2HD2 ASN 63 1HD2 ASN 63 -7.550 -8.903 1.869 468 H LEU 64 H LEU 64 -3.694 -4.461 -0.533 469 HA LEU 64 HA LEU 64 -5.028 -3.959 -2.883 470 1HB LEU 64 2HB LEU 64 -3.192 -2.498 -2.021 471 2HB LEU 64 1HB LEU 64 -2.032 -3.710 -2.508 472 HG LEU 64 HG LEU 64 -3.468 -3.245 -4.818 473 1HD1 LEU 64 1HD1 LEU 64 -3.025 -0.642 -4.898 474 2HD1 LEU 64 2HD1 LEU 64 -3.321 -0.775 -3.167 475 3HD1 LEU 64 3HD1 LEU 64 -4.558 -1.294 -4.317 476 1HD2 LEU 64 1HD2 LEU 64 -1.433 -2.730 -5.711 477 2HD2 LEU 64 2HD2 LEU 64 -0.878 -3.437 -4.194 478 3HD2 LEU 64 3HD2 LEU 64 -0.976 -1.685 -4.368 479 H LEU 65 H LEU 65 -1.925 -5.614 -2.699 480 HA LEU 65 HA LEU 65 -2.243 -6.642 -5.352 481 1HB LEU 65 1HB LEU 65 -0.039 -6.123 -4.616 482 2HB LEU 65 2HB LEU 65 -0.199 -7.134 -3.194 483 HG LEU 65 HG LEU 65 -0.222 -9.138 -4.631 484 1HD1 LEU 65 1HD2 LEU 65 -0.928 -8.770 -6.728 485 2HD1 LEU 65 2HD2 LEU 65 0.766 -8.396 -7.045 486 3HD1 LEU 65 3HD2 LEU 65 -0.380 -7.092 -6.727 487 1HD2 LEU 65 1HD1 LEU 65 2.005 -9.243 -4.537 488 2HD2 LEU 65 2HD1 LEU 65 1.929 -7.597 -3.909 489 3HD2 LEU 65 3HD1 LEU 65 2.205 -7.873 -5.628 490 H LYS 66 H LYS 66 -2.960 -7.896 -2.200 491 HA LYS 66 HA LYS 66 -3.041 -10.650 -3.009 492 1HB LYS 66 1HB LYS 66 -2.747 -9.542 -0.622 493 2HB LYS 66 2HB LYS 66 -4.502 -9.663 -0.604 494 1HG LYS 66 1HG LYS 66 -4.454 -12.004 -0.743 495 2HG LYS 66 2HG LYS 66 -2.752 -12.022 -1.212 496 1HD LYS 66 2HD LYS 66 -3.271 -10.715 1.357 497 2HD LYS 66 1HD LYS 66 -3.692 -12.428 1.322 498 1HE LYS 66 2HE LYS 66 -1.206 -12.174 0.022 499 2HE LYS 66 1HE LYS 66 -1.111 -11.205 1.492 500 1HZ LYS 66 1HZ LYS 66 -1.194 -13.004 2.788 501 2HZ LYS 66 2HZ LYS 66 -0.651 -13.814 1.412 502 H ALA 67 H ALA 67 -5.444 -8.140 -2.391 503 HA ALA 67 HA ALA 67 -7.644 -9.866 -3.058 504 1HB ALA 67 1HB ALA 67 -7.431 -7.680 -1.473 505 2HB ALA 67 2HB ALA 67 -8.952 -8.330 -2.082 506 3HB ALA 67 3HB ALA 67 -8.168 -6.989 -2.919 507 H VAL 68 H VAL 68 -5.591 -7.690 -4.746 508 HA VAL 68 HA VAL 68 -7.468 -7.282 -6.900 509 HB VAL 68 HB VAL 68 -5.776 -5.573 -6.200 510 1HG1 VAL 68 1HG2 VAL 68 -3.521 -5.727 -6.783 511 2HG1 VAL 68 2HG2 VAL 68 -3.805 -7.082 -7.881 512 3HG1 VAL 68 3HG2 VAL 68 -3.894 -7.327 -6.138 513 1HG2 VAL 68 1HG1 VAL 68 -6.524 -4.784 -8.144 514 2HG2 VAL 68 2HG1 VAL 68 -6.585 -6.397 -8.854 515 3HG2 VAL 68 3HG1 VAL 68 -5.080 -5.480 -8.878 516 H SER 69 H SER 69 -4.794 -9.378 -6.129 517 HA SER 69 HA SER 69 -4.568 -10.414 -8.825 518 1HB SER 69 1HB SER 69 -2.512 -10.366 -7.652 519 2HB SER 69 2HB SER 69 -3.227 -11.082 -6.208 520 HG SER 69 HG SER 69 -1.931 -12.391 -7.934 521 H LYS 70 H LYS 70 -5.911 -11.416 -5.726 522 HA LYS 70 HA LYS 70 -7.177 -13.700 -7.091 523 1HB LYS 70 1HB LYS 70 -5.885 -13.467 -4.424 524 2HB LYS 70 2HB LYS 70 -7.323 -14.471 -4.531 525 1HG LYS 70 1HG LYS 70 -6.231 -16.113 -5.566 526 2HG LYS 70 2HG LYS 70 -5.416 -14.996 -6.664 527 1HD LYS 70 1HD LYS 70 -4.103 -14.416 -4.405 528 2HD LYS 70 2HD LYS 70 -4.528 -16.095 -4.064 529 1HE LYS 70 2HE LYS 70 -3.637 -16.145 -6.685 530 2HE LYS 70 1HE LYS 70 -2.549 -15.011 -5.886 531 1HZ LYS 70 1HZ LYS 70 -2.390 -16.821 -4.106 532 2HZ LYS 70 2HZ LYS 70 -1.532 -17.022 -5.543 Start of MODEL 7 1 H VAL 7 H VAL 7 17.611 3.378 -2.509 2 HA VAL 7 HA VAL 7 16.440 2.230 -4.957 3 HB VAL 7 HB VAL 7 15.480 0.470 -3.262 4 1HG1 VAL 7 1HG1 VAL 7 18.349 0.014 -3.904 5 2HG1 VAL 7 2HG1 VAL 7 17.226 0.313 -5.230 6 3HG1 VAL 7 3HG1 VAL 7 16.957 -1.043 -4.135 7 1HG2 VAL 7 1HG2 VAL 7 16.630 0.063 -1.327 8 2HG2 VAL 7 2HG2 VAL 7 16.788 1.817 -1.408 9 3HG2 VAL 7 3HG2 VAL 7 18.121 0.786 -1.929 10 H ARG 8 H ARG 8 14.716 3.480 -5.348 11 HA ARG 8 HA ARG 8 12.733 3.774 -3.213 12 1HB ARG 8 2HB ARG 8 12.365 6.101 -3.695 13 2HB ARG 8 1HB ARG 8 14.075 5.876 -3.354 14 1HG ARG 8 2HG ARG 8 14.592 5.948 -5.712 15 2HG ARG 8 1HG ARG 8 12.878 6.072 -6.108 16 1HD ARG 8 1HD ARG 8 13.101 8.143 -4.417 17 2HD ARG 8 2HD ARG 8 14.744 8.110 -5.059 18 1HH1 ARG 8 2HH1 ARG 8 14.770 10.050 -5.171 19 2HH1 ARG 8 1HH1 ARG 8 14.676 11.384 -6.271 20 1HH2 ARG 8 1HH2 ARG 8 12.525 9.764 -8.504 21 2HH2 ARG 8 2HH2 ARG 8 13.400 11.222 -8.167 22 H CYS 9 H CYS 9 10.627 4.702 -4.216 23 HA CYS 9 HA CYS 9 9.998 2.995 -6.461 24 1HB CYS 9 2HB CYS 9 8.093 4.930 -5.168 25 2HB CYS 9 1HB CYS 9 7.731 3.424 -6.008 26 H THR 10 H THR 10 8.054 4.309 -7.781 27 HA THR 10 HA THR 10 9.443 6.615 -8.971 28 HB THR 10 HB THR 10 8.131 5.685 -11.093 29 HG1 THR 10 HG1 THR 10 7.230 3.871 -10.434 30 1HG2 THR 10 1HG2 THR 10 10.159 4.217 -11.593 31 2HG2 THR 10 2HG2 THR 10 10.784 4.785 -10.044 32 3HG2 THR 10 3HG2 THR 10 10.429 5.939 -11.331 33 H CYS 11 H CYS 11 6.357 5.095 -8.214 34 HA CYS 11 HA CYS 11 4.561 6.835 -9.342 35 1HB CYS 11 2HB CYS 11 4.326 5.657 -6.565 36 2HB CYS 11 1HB CYS 11 3.001 6.188 -7.596 37 H ILE 12 H ILE 12 4.295 8.955 -9.217 38 HA ILE 12 HA ILE 12 5.697 10.560 -7.333 39 HB ILE 12 HB ILE 12 3.413 11.493 -9.058 40 1HG1 ILE 12 1HG1 ILE 12 5.825 12.062 -10.365 41 2HG1 ILE 12 2HG1 ILE 12 5.973 10.384 -9.854 42 1HG2 ILE 12 1HG2 ILE 12 5.013 12.802 -7.212 43 2HG2 ILE 12 2HG2 ILE 12 4.007 13.551 -8.451 44 3HG2 ILE 12 3HG2 ILE 12 5.712 13.229 -8.773 45 1HD1 ILE 12 1HD1 ILE 12 4.617 9.705 -11.463 46 2HD1 ILE 12 2HD1 ILE 12 4.675 11.345 -12.111 47 3HD1 ILE 12 3HD1 ILE 12 3.383 10.879 -11.006 48 H SER 13 H SER 13 2.557 9.118 -7.386 49 HA SER 13 HA SER 13 2.004 10.290 -4.764 50 1HB SER 13 2HB SER 13 0.792 11.484 -6.763 51 2HB SER 13 1HB SER 13 -0.258 10.068 -6.722 52 HG SER 13 HG SER 13 -0.869 10.578 -4.666 53 H ILE 14 H ILE 14 1.364 8.807 -3.342 54 HA ILE 14 HA ILE 14 0.335 6.243 -4.374 55 HB ILE 14 HB ILE 14 1.264 5.262 -2.218 56 1HG1 ILE 14 1HG1 ILE 14 1.664 7.604 -1.245 57 2HG1 ILE 14 2HG1 ILE 14 2.935 6.408 -1.013 58 1HG2 ILE 14 1HG2 ILE 14 3.572 5.087 -3.181 59 2HG2 ILE 14 2HG2 ILE 14 3.079 6.264 -4.400 60 3HG2 ILE 14 3HG2 ILE 14 2.264 4.704 -4.299 61 1HD1 ILE 14 1HD1 ILE 14 3.272 8.951 -1.964 62 2HD1 ILE 14 2HD1 ILE 14 3.288 7.976 -3.435 63 3HD1 ILE 14 3HD1 ILE 14 4.421 7.624 -2.130 64 H SER 15 H SER 15 -0.944 5.023 -2.652 65 HA SER 15 HA SER 15 -2.861 6.904 -1.510 66 1HB SER 15 2HB SER 15 -3.945 5.277 -2.836 67 2HB SER 15 1HB SER 15 -2.997 3.960 -2.148 68 HG SER 15 HG SER 15 -5.211 5.301 -1.108 69 H ASN 16 H ASN 16 -2.303 3.659 -0.248 70 HA ASN 16 HA ASN 16 -2.118 2.960 1.922 71 1HB ASN 16 1HB ASN 16 -0.036 3.518 2.948 72 2HB ASN 16 2HB ASN 16 0.240 3.499 1.210 73 1HD2 ASN 16 2HD2 ASN 16 0.033 5.458 4.058 74 2HD2 ASN 16 1HD2 ASN 16 0.691 6.898 3.364 75 H GLN 17 H GLN 17 -3.965 5.172 1.465 76 HA GLN 17 HA GLN 17 -3.869 6.497 4.092 77 1HB GLN 17 2HB GLN 17 -4.672 8.426 3.161 78 2HB GLN 17 1HB GLN 17 -3.835 7.774 1.767 79 1HG GLN 17 1HG GLN 17 -6.168 6.698 1.250 80 2HG GLN 17 2HG GLN 17 -6.752 8.012 2.270 81 1HE2 GLN 17 1HE2 GLN 17 -5.037 7.212 -0.667 82 2HE2 GLN 17 2HE2 GLN 17 -5.241 8.746 -1.436 83 HA PRO 18 HA PRO 18 -7.740 5.125 5.700 84 1HB PRO 18 2HB PRO 18 -9.141 7.416 4.365 85 2HB PRO 18 1HB PRO 18 -9.355 6.770 5.999 86 1HG PRO 18 1HG PRO 18 -7.897 8.957 5.602 87 2HG PRO 18 2HG PRO 18 -7.390 7.733 6.778 88 1HD PRO 18 2HD PRO 18 -6.275 8.374 4.113 89 2HD PRO 18 1HD PRO 18 -5.469 7.685 5.532 90 H VAL 19 H VAL 19 -7.737 6.071 2.307 91 HA VAL 19 HA VAL 19 -9.855 4.126 1.773 92 HB VAL 19 HB VAL 19 -9.507 5.058 -0.657 93 1HG1 VAL 19 1HG2 VAL 19 -10.933 6.383 1.622 94 2HG1 VAL 19 2HG2 VAL 19 -11.590 5.357 0.344 95 3HG1 VAL 19 3HG2 VAL 19 -11.061 7.000 -0.026 96 1HG2 VAL 19 1HG1 VAL 19 -7.504 6.361 -0.118 97 2HG2 VAL 19 2HG1 VAL 19 -8.447 7.336 1.010 98 3HG2 VAL 19 3HG1 VAL 19 -8.808 7.386 -0.714 99 H ASN 20 H ASN 20 -8.093 2.643 2.523 100 HA ASN 20 HA ASN 20 -6.021 1.814 0.815 101 1HB ASN 20 1HB ASN 20 -7.586 0.710 3.056 102 2HB ASN 20 2HB ASN 20 -6.905 -0.475 1.968 103 1HD2 ASN 20 2HD2 ASN 20 -4.506 0.725 1.287 104 2HD2 ASN 20 1HD2 ASN 20 -3.515 0.862 2.692 105 HA PRO 21 HA PRO 21 -7.590 -0.337 -2.630 106 1HB PRO 21 1HB PRO 21 -7.158 -2.956 -1.281 107 2HB PRO 21 2HB PRO 21 -6.731 -2.437 -2.933 108 1HG PRO 21 2HG PRO 21 -4.920 -2.481 -0.908 109 2HG PRO 21 1HG PRO 21 -4.873 -1.285 -2.204 110 1HD PRO 21 2HD PRO 21 -5.521 -0.924 0.627 111 2HD PRO 21 1HD PRO 21 -5.039 0.264 -0.590 112 H ARG 22 H ARG 22 -9.179 -0.970 0.436 113 HA ARG 22 HA ARG 22 -11.338 -2.551 -0.190 114 1HB ARG 22 2HB ARG 22 -10.955 -1.200 1.944 115 2HB ARG 22 1HB ARG 22 -11.665 0.165 1.095 116 1HG ARG 22 2HG ARG 22 -13.756 -0.966 0.878 117 2HG ARG 22 1HG ARG 22 -13.065 -2.466 1.497 118 1HD ARG 22 2HD ARG 22 -14.459 -1.005 3.093 119 2HD ARG 22 1HD ARG 22 -12.925 -1.657 3.669 120 1HH1 ARG 22 1HH2 ARG 22 -14.360 -0.433 5.164 121 2HH1 ARG 22 2HH2 ARG 22 -14.236 0.996 6.135 122 1HH2 ARG 22 2HH1 ARG 22 -12.180 2.702 3.878 123 2HH2 ARG 22 1HH1 ARG 22 -12.997 2.779 5.404 124 H SER 23 H SER 23 -10.503 0.614 -1.288 125 HA SER 23 HA SER 23 -12.643 0.670 -3.285 126 1HB SER 23 1HB SER 23 -10.504 2.743 -2.683 127 2HB SER 23 2HB SER 23 -11.913 2.959 -3.715 128 HG SER 23 HG SER 23 -11.707 3.028 -0.964 129 H LEU 24 H LEU 24 -12.069 -0.662 -4.924 130 HA LEU 24 HA LEU 24 -9.374 -0.430 -6.105 131 1HB LEU 24 2HB LEU 24 -9.197 -2.226 -4.446 132 2HB LEU 24 1HB LEU 24 -10.543 -3.065 -5.171 133 HG LEU 24 HG LEU 24 -8.846 -4.325 -5.978 134 1HD1 LEU 24 1HD1 LEU 24 -8.533 -2.148 -8.012 135 2HD1 LEU 24 2HD1 LEU 24 -9.880 -3.285 -7.979 136 3HD1 LEU 24 3HD1 LEU 24 -8.236 -3.868 -8.214 137 1HD2 LEU 24 1HD2 LEU 24 -6.866 -3.751 -5.150 138 2HD2 LEU 24 2HD2 LEU 24 -7.215 -2.025 -5.271 139 3HD2 LEU 24 3HD2 LEU 24 -6.617 -2.906 -6.678 140 H GLU 25 H GLU 25 -9.456 -0.506 -8.314 141 HA GLU 25 HA GLU 25 -11.810 -1.746 -9.567 142 1HB GLU 25 1HB GLU 25 -12.057 0.833 -9.228 143 2HB GLU 25 2HB GLU 25 -10.974 0.941 -10.599 144 1HG GLU 25 1HG GLU 25 -12.500 -0.016 -12.047 145 2HG GLU 25 2HG GLU 25 -13.426 -0.753 -10.741 146 H LYS 26 H LYS 26 -9.231 0.353 -10.843 147 HA LYS 26 HA LYS 26 -8.518 -1.834 -12.672 148 1HB LYS 26 2HB LYS 26 -7.606 0.968 -13.154 149 2HB LYS 26 1HB LYS 26 -7.988 -0.297 -14.314 150 1HG LYS 26 2HG LYS 26 -10.126 1.004 -12.662 151 2HG LYS 26 1HG LYS 26 -9.552 1.716 -14.173 152 1HD LYS 26 1HD LYS 26 -10.547 -1.117 -13.959 153 2HD LYS 26 2HD LYS 26 -11.589 0.248 -14.367 154 1HE LYS 26 2HE LYS 26 -9.120 0.080 -15.941 155 2HE LYS 26 1HE LYS 26 -10.231 -1.268 -16.175 156 1HZ LYS 26 1HZ LYS 26 -10.865 1.608 -16.494 157 2HZ LYS 26 2HZ LYS 26 -11.990 0.361 -16.622 158 1HN MLE 27 1HM LEM 27 -8.150 -3.069 -10.427 159 2HN MLE 27 2HM LEM 27 -6.683 -4.015 -10.670 160 3HN MLE 27 3HM LEM 27 -7.569 -3.393 -12.060 161 HA MLE 27 HA LEM 27 -4.811 -1.144 -10.390 162 1HB MLE 27 1HB LEM 27 -4.997 -3.401 -8.643 163 2HB MLE 27 2HB LEM 27 -6.545 -2.587 -8.697 164 HG MLE 27 HG LEM 27 -4.284 -0.775 -8.399 165 1HD1 MLE 27 1HD1 LEM 27 -6.212 0.311 -7.945 166 2HD1 MLE 27 2HD1 LEM 27 -5.890 -0.297 -6.320 167 3HD1 MLE 27 3HD1 LEM 27 -7.023 -1.141 -7.372 168 1HD2 MLE 27 1HD2 LEM 27 -3.332 -1.529 -6.522 169 2HD2 MLE 27 2HD2 LEM 27 -3.913 -3.095 -7.080 170 3HD2 MLE 27 3HD2 LEM 27 -4.847 -2.184 -5.900 171 H GLU 28 H GLU 28 -3.438 -1.620 -11.988 172 HA GLU 28 HA GLU 28 -2.906 -4.398 -12.693 173 1HB GLU 28 2HB GLU 28 -3.007 -2.892 -14.558 174 2HB GLU 28 1HB GLU 28 -1.897 -1.772 -13.784 175 1HG GLU 28 1HG GLU 28 -0.991 -3.189 -15.652 176 2HG GLU 28 2HG GLU 28 -0.063 -3.168 -14.152 177 H ILE 29 H ILE 29 -1.631 -5.459 -11.298 178 HA ILE 29 HA ILE 29 0.358 -4.023 -9.775 179 HB ILE 29 HB ILE 29 0.611 -5.997 -8.465 180 1HG1 ILE 29 1HG1 ILE 29 -0.984 -7.995 -9.249 181 2HG1 ILE 29 2HG1 ILE 29 -0.613 -7.323 -10.836 182 1HG2 ILE 29 1HG2 ILE 29 -1.271 -4.985 -7.669 183 2HG2 ILE 29 2HG2 ILE 29 -1.945 -6.550 -8.119 184 3HG2 ILE 29 3HG2 ILE 29 -2.148 -5.160 -9.191 185 1HD1 ILE 29 1HD1 ILE 29 1.175 -8.645 -10.770 186 2HD1 ILE 29 2HD1 ILE 29 1.047 -8.885 -9.027 187 3HD1 ILE 29 3HD1 ILE 29 1.852 -7.451 -9.663 188 H ILE 30 H ILE 30 2.514 -4.265 -9.807 189 HA ILE 30 HA ILE 30 3.732 -6.090 -11.759 190 HB ILE 30 HB ILE 30 5.232 -3.592 -11.443 191 1HG1 ILE 30 1HG1 ILE 30 2.659 -3.500 -13.041 192 2HG1 ILE 30 2HG1 ILE 30 2.907 -2.679 -11.506 193 1HG2 ILE 30 1HG2 ILE 30 4.669 -4.162 -14.139 194 2HG2 ILE 30 2HG2 ILE 30 4.876 -5.711 -13.326 195 3HG2 ILE 30 3HG2 ILE 30 6.151 -4.495 -13.245 196 1HD1 ILE 30 1HD1 ILE 30 3.291 -0.998 -13.014 197 2HD1 ILE 30 2HD1 ILE 30 4.066 -2.075 -14.177 198 3HD1 ILE 30 3HD1 ILE 30 4.926 -1.591 -12.715 199 HA PRO 31 HA PRO 31 6.420 -6.783 -8.311 200 1HB PRO 31 2HB PRO 31 8.370 -8.180 -9.496 201 2HB PRO 31 1HB PRO 31 6.711 -8.783 -9.438 202 1HG PRO 31 2HG PRO 31 8.232 -7.656 -11.713 203 2HG PRO 31 1HG PRO 31 6.889 -8.807 -11.719 204 1HD PRO 31 1HD PRO 31 6.788 -5.983 -12.179 205 2HD PRO 31 2HD PRO 31 5.433 -7.129 -12.141 206 H ALA 32 H ALA 32 7.275 -4.881 -7.501 207 HA ALA 32 HA ALA 32 9.539 -3.634 -8.841 208 1HB ALA 32 1HB ALA 32 7.928 -2.125 -7.883 209 2HB ALA 32 2HB ALA 32 9.437 -2.001 -6.972 210 3HB ALA 32 3HB ALA 32 8.077 -2.905 -6.308 211 H SER 33 H SER 33 11.629 -3.585 -8.026 212 HA SER 33 HA SER 33 12.286 -4.783 -5.504 213 1HB SER 33 1HB SER 33 11.906 -6.736 -7.125 214 2HB SER 33 2HB SER 33 13.380 -6.200 -7.930 215 HG SER 33 HG SER 33 14.539 -6.646 -6.116 216 H GLN 34 H GLN 34 13.772 -4.184 -8.695 217 HA GLN 34 HA GLN 34 16.273 -3.413 -7.661 218 1HB GLN 34 1HB GLN 34 16.771 -2.624 -9.898 219 2HB GLN 34 2HB GLN 34 15.909 -4.153 -9.990 220 1HG GLN 34 2HG GLN 34 13.864 -3.017 -10.562 221 2HG GLN 34 1HG GLN 34 14.640 -1.447 -10.345 222 1HE2 GLN 34 1HE2 GLN 34 13.645 -1.386 -12.607 223 2HE2 GLN 34 2HE2 GLN 34 14.700 -1.825 -13.904 224 H PHE 35 H PHE 35 13.300 -1.707 -7.890 225 HA PHE 35 HA PHE 35 14.702 0.816 -7.302 226 1HB PHE 35 1HB PHE 35 12.733 0.223 -9.269 227 2HB PHE 35 2HB PHE 35 11.998 1.300 -8.086 228 HD1 PHE 35 HD1 PHE 35 12.995 1.610 -11.120 229 HD2 PHE 35 HD2 PHE 35 14.384 2.903 -7.312 230 HE1 PHE 35 HE1 PHE 35 14.106 3.532 -12.182 231 HE2 PHE 35 HE2 PHE 35 15.497 4.826 -8.367 232 HZ PHE 35 HZ PHE 35 15.359 5.143 -10.805 233 H CYS 36 H CYS 36 11.750 -1.044 -6.611 234 HA CYS 36 HA CYS 36 11.827 -0.139 -3.853 235 1HB CYS 36 1HB CYS 36 10.225 1.211 -5.715 236 2HB CYS 36 2HB CYS 36 9.122 0.173 -4.823 237 HA PRO 37 HA PRO 37 10.768 -4.664 -4.273 238 1HB PRO 37 1HB PRO 37 11.250 -4.946 -1.527 239 2HB PRO 37 2HB PRO 37 12.382 -5.315 -2.832 240 1HG PRO 37 2HG PRO 37 12.120 -2.832 -1.192 241 2HG PRO 37 1HG PRO 37 13.589 -3.659 -1.741 242 1HD PRO 37 1HD PRO 37 12.802 -1.459 -2.947 243 2HD PRO 37 2HD PRO 37 13.358 -2.835 -3.925 244 H ARG 38 H ARG 38 8.573 -3.864 -4.632 245 HA ARG 38 HA ARG 38 6.809 -4.612 -2.509 246 1HB ARG 38 1HB ARG 38 7.538 -1.899 -2.614 247 2HB ARG 38 2HB ARG 38 5.935 -1.979 -3.328 248 1HG ARG 38 2HG ARG 38 5.522 -1.609 -1.075 249 2HG ARG 38 1HG ARG 38 5.298 -3.351 -1.256 250 1HD ARG 38 1HD ARG 38 7.190 -3.859 -0.087 251 2HD ARG 38 2HD ARG 38 8.010 -2.369 -0.555 252 1HH1 ARG 38 1HH2 ARG 38 9.175 -2.691 1.040 253 2HH1 ARG 38 2HH2 ARG 38 9.509 -2.100 2.633 254 1HH2 ARG 38 1HH1 ARG 38 6.204 -1.169 3.295 255 2HH2 ARG 38 2HH1 ARG 38 7.819 -1.235 3.915 256 H VAL 39 H VAL 39 4.505 -3.261 -3.559 257 HA VAL 39 HA VAL 39 4.271 -4.694 -6.101 258 HB VAL 39 HB VAL 39 1.878 -3.444 -4.823 259 1HG1 VAL 39 1HG2 VAL 39 0.794 -4.703 -6.297 260 2HG1 VAL 39 2HG2 VAL 39 1.668 -6.155 -5.807 261 3HG1 VAL 39 3HG2 VAL 39 2.361 -5.076 -7.018 262 1HG2 VAL 39 1HG1 VAL 39 3.101 -6.056 -3.910 263 2HG2 VAL 39 2HG1 VAL 39 1.537 -5.411 -3.413 264 3HG2 VAL 39 3HG1 VAL 39 3.019 -4.573 -2.959 265 H GLU 40 H GLU 40 4.482 -3.573 -7.910 266 HA GLU 40 HA GLU 40 4.187 -0.670 -7.887 267 1HB GLU 40 1HB GLU 40 5.435 -2.676 -9.674 268 2HB GLU 40 2HB GLU 40 4.639 -1.341 -10.500 269 1HG GLU 40 1HG GLU 40 6.529 -0.763 -8.274 270 2HG GLU 40 2HG GLU 40 7.150 -1.183 -9.869 271 H ILE 41 H ILE 41 2.296 0.297 -8.510 272 HA ILE 41 HA ILE 41 0.465 -1.277 -10.132 273 HB ILE 41 HB ILE 41 0.112 -1.942 -7.794 274 1HG1 ILE 41 2HG1 ILE 41 -2.435 -0.803 -8.055 275 2HG1 ILE 41 1HG1 ILE 41 -1.828 -0.998 -9.696 276 1HG2 ILE 41 1HG2 ILE 41 0.315 0.793 -7.293 277 2HG2 ILE 41 2HG2 ILE 41 -0.033 -0.487 -6.135 278 3HG2 ILE 41 3HG2 ILE 41 -1.355 0.361 -6.936 279 1HD1 ILE 41 1HD1 ILE 41 -1.434 -3.345 -9.300 280 2HD1 ILE 41 2HD1 ILE 41 -3.106 -2.937 -8.924 281 3HD1 ILE 41 3HD1 ILE 41 -1.945 -3.170 -7.622 282 H ILE 42 H ILE 42 -0.939 -0.236 -11.298 283 HA ILE 42 HA ILE 42 -1.207 2.673 -10.975 284 HB ILE 42 HB ILE 42 -2.231 1.085 -13.319 285 1HG1 ILE 42 2HG1 ILE 42 0.419 2.548 -13.153 286 2HG1 ILE 42 1HG1 ILE 42 0.244 0.795 -13.099 287 1HG2 ILE 42 1HG2 ILE 42 -3.179 3.060 -13.735 288 2HG2 ILE 42 2HG2 ILE 42 -1.559 3.678 -14.065 289 3HG2 ILE 42 3HG2 ILE 42 -2.259 3.847 -12.450 290 1HD1 ILE 42 1HD1 ILE 42 0.588 0.913 -15.296 291 2HD1 ILE 42 2HD1 ILE 42 0.168 2.624 -15.372 292 3HD1 ILE 42 3HD1 ILE 42 -1.104 1.402 -15.377 293 H ALA 43 H ALA 43 -2.579 2.535 -9.234 294 HA ALA 43 HA ALA 43 -4.846 0.767 -9.338 295 1HB ALA 43 1HB ALA 43 -5.165 1.632 -6.974 296 2HB ALA 43 2HB ALA 43 -3.660 2.514 -7.214 297 3HB ALA 43 3HB ALA 43 -3.672 0.753 -7.305 298 H THR 44 H THR 44 -6.661 1.315 -10.196 299 HA THR 44 HA THR 44 -7.712 4.028 -9.741 300 HB THR 44 HB THR 44 -8.588 1.980 -11.792 301 HG1 THR 44 HG1 THR 44 -6.782 2.935 -12.566 302 1HG2 THR 44 1HG2 THR 44 -10.370 3.208 -12.321 303 2HG2 THR 44 2HG2 THR 44 -9.521 4.733 -12.065 304 3HG2 THR 44 3HG2 THR 44 -10.200 3.860 -10.689 305 H MET 45 H MET 45 -9.079 4.061 -8.058 306 HA MET 45 HA MET 45 -9.940 1.547 -6.979 307 1HB MET 45 2HB MET 45 -10.415 4.332 -5.933 308 2HB MET 45 1HB MET 45 -10.642 2.837 -5.055 309 1HG MET 45 1HG MET 45 -8.158 4.289 -5.687 310 2HG MET 45 2HG MET 45 -8.651 3.456 -4.216 311 1HE MET 45 1HE MET 45 -5.643 2.798 -4.656 312 2HE MET 45 2HE MET 45 -5.856 1.065 -4.398 313 3HE MET 45 3HE MET 45 -6.846 2.218 -3.502 314 H LYS 46 H LYS 46 -11.884 0.772 -6.663 315 HA LYS 46 HA LYS 46 -14.166 2.069 -7.959 316 1HB LYS 46 1HB LYS 46 -13.450 -0.351 -8.567 317 2HB LYS 46 2HB LYS 46 -14.093 -0.786 -6.991 318 1HG LYS 46 2HG LYS 46 -15.858 0.811 -8.735 319 2HG LYS 46 1HG LYS 46 -15.537 -0.850 -9.234 320 1HD LYS 46 2HD LYS 46 -16.177 -0.494 -6.383 321 2HD LYS 46 1HD LYS 46 -17.492 -0.132 -7.504 322 1HE LYS 46 2HE LYS 46 -17.856 -2.295 -7.858 323 2HE LYS 46 1HE LYS 46 -16.168 -2.547 -8.302 324 1HZ LYS 46 1HZ LYS 46 -15.788 -2.519 -5.780 325 2HZ LYS 46 2HZ LYS 46 -16.414 -3.908 -6.497 326 H LYS 47 H LYS 47 -15.185 3.242 -6.563 327 HA LYS 47 HA LYS 47 -16.622 2.604 -4.365 328 1HB LYS 47 1HB LYS 47 -13.758 2.821 -3.732 329 2HB LYS 47 2HB LYS 47 -14.849 3.656 -2.661 330 1HG LYS 47 2HG LYS 47 -15.469 0.828 -3.263 331 2HG LYS 47 1HG LYS 47 -14.123 1.183 -2.176 332 1HD LYS 47 2HD LYS 47 -16.004 0.949 -0.785 333 2HD LYS 47 1HD LYS 47 -15.734 2.688 -0.919 334 1HE LYS 47 1HE LYS 47 -17.581 3.008 -2.262 335 2HE LYS 47 2HE LYS 47 -17.586 1.340 -2.832 336 1HZ LYS 47 1HZ LYS 47 -19.215 1.056 -1.376 337 2HZ LYS 47 2HZ LYS 47 -18.017 1.064 -0.191 338 H LYS 48 H LYS 48 -14.163 4.710 -5.538 339 HA LYS 48 HA LYS 48 -15.940 6.968 -5.339 340 1HB LYS 48 2HB LYS 48 -15.005 7.552 -3.413 341 2HB LYS 48 1HB LYS 48 -13.727 6.364 -3.610 342 1HG LYS 48 2HG LYS 48 -12.415 7.947 -4.882 343 2HG LYS 48 1HG LYS 48 -13.757 9.094 -4.873 344 1HD LYS 48 1HD LYS 48 -13.584 9.013 -2.327 345 2HD LYS 48 2HD LYS 48 -12.022 8.230 -2.578 346 1HE LYS 48 2HE LYS 48 -11.228 10.331 -2.584 347 2HE LYS 48 1HE LYS 48 -11.807 10.352 -4.250 348 1HZ LYS 48 1HZ LYS 48 -13.515 11.697 -3.741 349 2HZ LYS 48 2HZ LYS 48 -13.749 11.041 -2.207 350 H GLY 49 H GLY 49 -14.342 5.210 -7.387 351 1HA GLY 49 1HA GLY 49 -13.191 5.515 -9.354 352 2HA GLY 49 2HA GLY 49 -14.215 6.937 -9.487 353 H GLU 50 H GLU 50 -11.200 5.827 -7.958 354 HA GLU 50 HA GLU 50 -10.066 8.475 -8.588 355 1HB GLU 50 2HB GLU 50 -8.832 8.467 -6.499 356 2HB GLU 50 1HB GLU 50 -10.555 8.311 -6.179 357 1HG GLU 50 2HG GLU 50 -10.310 6.328 -5.200 358 2HG GLU 50 1HG GLU 50 -9.195 5.750 -6.437 359 H LYS 51 H LYS 51 -8.078 8.516 -9.490 360 HA LYS 51 HA LYS 51 -6.835 5.919 -10.070 361 1HB LYS 51 1HB LYS 51 -6.648 8.613 -11.416 362 2HB LYS 51 2HB LYS 51 -5.558 7.289 -11.802 363 1HG LYS 51 1HG LYS 51 -7.292 5.973 -12.683 364 2HG LYS 51 2HG LYS 51 -8.539 6.995 -11.966 365 1HD LYS 51 1HD LYS 51 -8.647 7.970 -13.978 366 2HD LYS 51 2HD LYS 51 -7.145 8.773 -13.515 367 1HE LYS 51 2HE LYS 51 -5.950 6.747 -14.485 368 2HE LYS 51 1HE LYS 51 -7.501 6.309 -15.199 369 1HZ LYS 51 1HZ LYS 51 -5.636 8.353 -15.969 370 2HZ LYS 51 2HZ LYS 51 -7.223 8.910 -15.874 371 H ARG 52 H ARG 52 -5.029 5.360 -9.048 372 HA ARG 52 HA ARG 52 -3.094 7.372 -8.247 373 1HB ARG 52 1HB ARG 52 -4.905 6.915 -6.406 374 2HB ARG 52 2HB ARG 52 -3.990 5.437 -6.141 375 1HG ARG 52 1HG ARG 52 -3.146 6.987 -4.595 376 2HG ARG 52 2HG ARG 52 -1.946 6.915 -5.888 377 1HD ARG 52 2HD ARG 52 -2.176 9.196 -5.478 378 2HD ARG 52 1HD ARG 52 -3.199 8.920 -6.888 379 1HH1 ARG 52 2HH2 ARG 52 -2.668 11.134 -5.755 380 2HH1 ARG 52 1HH2 ARG 52 -3.601 12.417 -5.060 381 1HH2 ARG 52 2HH1 ARG 52 -6.140 10.318 -3.884 382 2HH2 ARG 52 1HH1 ARG 52 -5.577 11.953 -3.993 383 H CYS 53 H CYS 53 -1.024 6.576 -7.932 384 HA CYS 53 HA CYS 53 -0.604 3.774 -8.740 385 1HB CYS 53 2HB CYS 53 0.525 5.514 -10.117 386 2HB CYS 53 1HB CYS 53 1.381 6.067 -8.679 387 H LEU 54 H LEU 54 -0.561 2.541 -6.971 388 HA LEU 54 HA LEU 54 0.577 3.620 -4.513 389 1HB LEU 54 2HB LEU 54 -0.759 0.963 -4.633 390 2HB LEU 54 1HB LEU 54 -0.740 2.145 -3.340 391 HG LEU 54 HG LEU 54 -2.446 2.089 -5.802 392 1HD1 LEU 54 1HD2 LEU 54 -2.791 1.570 -3.004 393 2HD1 LEU 54 2HD2 LEU 54 -3.915 1.314 -4.337 394 3HD1 LEU 54 3HD2 LEU 54 -3.857 2.876 -3.521 395 1HD2 LEU 54 1HD1 LEU 54 -2.200 4.300 -6.003 396 2HD2 LEU 54 2HD1 LEU 54 -1.388 4.443 -4.446 397 3HD2 LEU 54 3HD1 LEU 54 -3.150 4.404 -4.522 398 H ASN 55 H ASN 55 1.748 2.172 -3.073 399 HA ASN 55 HA ASN 55 3.319 0.088 -4.333 400 1HB ASN 55 2HB ASN 55 4.517 2.414 -4.479 401 2HB ASN 55 1HB ASN 55 4.800 2.177 -2.757 402 1HD2 ASN 55 1HD2 ASN 55 5.470 0.996 -5.962 403 2HD2 ASN 55 2HD2 ASN 55 6.830 0.020 -5.534 404 HA PRO 56 HA PRO 56 1.038 -1.003 -0.409 405 1HB PRO 56 2HB PRO 56 2.651 -3.278 -1.553 406 2HB PRO 56 1HB PRO 56 1.176 -3.375 -0.581 407 1HG PRO 56 1HG PRO 56 0.977 -3.385 -3.219 408 2HG PRO 56 2HG PRO 56 -0.143 -2.407 -2.266 409 1HD PRO 56 1HD PRO 56 2.066 -1.540 -4.021 410 2HD PRO 56 2HD PRO 56 0.657 -0.625 -3.446 411 H GLU 57 H GLU 57 2.150 0.284 0.982 412 HA GLU 57 HA GLU 57 4.270 -1.081 2.448 413 1HB GLU 57 2HB GLU 57 5.177 1.314 2.933 414 2HB GLU 57 1HB GLU 57 5.628 0.524 1.429 415 1HG GLU 57 2HG GLU 57 3.325 1.857 0.745 416 2HG GLU 57 1HG GLU 57 4.101 2.958 1.879 417 H SER 58 H SER 58 1.838 -1.447 3.198 418 HA SER 58 HA SER 58 1.459 0.032 5.630 419 1HB SER 58 2HB SER 58 -0.067 0.692 3.210 420 2HB SER 58 1HB SER 58 -1.092 0.304 4.585 421 HG SER 58 HG SER 58 -0.660 2.227 5.276 422 H LYS 59 H LYS 59 -1.150 -0.667 6.222 423 HA LYS 59 HA LYS 59 -0.887 -3.510 6.612 424 1HB LYS 59 1HB LYS 59 -2.979 -1.566 7.538 425 2HB LYS 59 2HB LYS 59 -2.921 -3.258 7.990 426 1HG LYS 59 2HG LYS 59 -0.902 -2.960 9.192 427 2HG LYS 59 1HG LYS 59 -0.675 -1.339 8.530 428 1HD LYS 59 2HD LYS 59 -2.717 -0.604 9.700 429 2HD LYS 59 1HD LYS 59 -2.870 -2.213 10.407 430 1HE LYS 59 1HE LYS 59 -0.230 -1.305 10.888 431 2HE LYS 59 2HE LYS 59 -1.333 -0.001 11.324 432 1HZ LYS 59 1HZ LYS 59 -1.577 -2.795 12.279 433 2HZ LYS 59 2HZ LYS 59 -0.849 -1.552 13.154 434 H ALA 60 H ALA 60 -3.927 -1.824 5.878 435 HA ALA 60 HA ALA 60 -5.091 -3.962 4.520 436 1HB ALA 60 1HB ALA 60 -6.833 -2.610 4.739 437 2HB ALA 60 2HB ALA 60 -6.191 -1.609 3.437 438 3HB ALA 60 3HB ALA 60 -5.771 -1.252 5.112 439 H ILE 61 H ILE 61 -2.766 -1.663 3.475 440 HA ILE 61 HA ILE 61 -3.151 -1.607 0.728 441 HB ILE 61 HB ILE 61 -1.309 -0.619 2.508 442 1HG1 ILE 61 1HG1 ILE 61 -1.852 0.708 0.700 443 2HG1 ILE 61 2HG1 ILE 61 -0.176 0.299 0.376 444 1HG2 ILE 61 1HG2 ILE 61 0.914 -1.215 1.531 445 2HG2 ILE 61 2HG2 ILE 61 0.137 -2.609 0.800 446 3HG2 ILE 61 3HG2 ILE 61 0.170 -2.439 2.555 447 1HD1 ILE 61 1HD1 ILE 61 -1.422 -1.694 -0.936 448 2HD1 ILE 61 2HD1 ILE 61 -0.938 -0.166 -1.669 449 3HD1 ILE 61 3HD1 ILE 61 -2.597 -0.390 -1.112 450 H LYS 62 H LYS 62 -1.802 -4.071 2.831 451 HA LYS 62 HA LYS 62 -0.642 -5.790 0.940 452 1HB LYS 62 2HB LYS 62 -0.927 -5.866 3.633 453 2HB LYS 62 1HB LYS 62 -2.154 -7.035 3.165 454 1HG LYS 62 2HG LYS 62 -0.554 -8.557 3.041 455 2HG LYS 62 1HG LYS 62 0.095 -7.688 1.649 456 1HD LYS 62 1HD LYS 62 0.952 -6.298 3.945 457 2HD LYS 62 2HD LYS 62 1.226 -8.014 4.257 458 1HE LYS 62 2HE LYS 62 2.608 -8.246 2.372 459 2HE LYS 62 1HE LYS 62 2.071 -6.713 1.687 460 1HZ LYS 62 1HZ LYS 62 3.941 -5.931 2.571 461 2HZ LYS 62 2HZ LYS 62 4.137 -7.242 3.611 462 H ASN 63 H ASN 63 -3.922 -5.117 1.863 463 HA ASN 63 HA ASN 63 -5.179 -7.274 0.508 464 1HB ASN 63 2HB ASN 63 -6.056 -5.396 2.255 465 2HB ASN 63 1HB ASN 63 -6.633 -4.702 0.741 466 1HD2 ASN 63 1HD2 ASN 63 -8.763 -5.053 1.533 467 2HD2 ASN 63 2HD2 ASN 63 -9.486 -6.618 1.434 468 H LEU 64 H LEU 64 -3.884 -4.188 -0.432 469 HA LEU 64 HA LEU 64 -5.120 -3.652 -2.831 470 1HB LEU 64 2HB LEU 64 -3.237 -2.260 -1.962 471 2HB LEU 64 1HB LEU 64 -2.127 -3.540 -2.388 472 HG LEU 64 HG LEU 64 -3.449 -3.115 -4.747 473 1HD1 LEU 64 1HD1 LEU 64 -3.007 -0.522 -4.931 474 2HD1 LEU 64 2HD1 LEU 64 -3.362 -0.572 -3.206 475 3HD1 LEU 64 3HD1 LEU 64 -4.560 -1.147 -4.371 476 1HD2 LEU 64 1HD2 LEU 64 -0.974 -1.544 -4.255 477 2HD2 LEU 64 2HD2 LEU 64 -1.387 -2.633 -5.581 478 3HD2 LEU 64 3HD2 LEU 64 -0.897 -3.291 -4.020 479 H LEU 65 H LEU 65 -2.106 -5.453 -2.533 480 HA LEU 65 HA LEU 65 -2.373 -6.484 -5.199 481 1HB LEU 65 2HB LEU 65 -0.179 -6.016 -4.417 482 2HB LEU 65 1HB LEU 65 -0.404 -6.991 -2.978 483 HG LEU 65 HG LEU 65 -0.473 -9.022 -4.412 484 1HD1 LEU 65 1HD2 LEU 65 0.727 -7.609 -6.693 485 2HD1 LEU 65 2HD2 LEU 65 -1.001 -7.339 -6.460 486 3HD1 LEU 65 3HD2 LEU 65 -0.383 -8.979 -6.659 487 1HD2 LEU 65 1HD1 LEU 65 1.716 -7.508 -3.603 488 2HD2 LEU 65 2HD1 LEU 65 2.081 -7.984 -5.261 489 3HD2 LEU 65 3HD1 LEU 65 1.711 -9.213 -4.052 490 H LYS 66 H LYS 66 -3.277 -7.661 -2.084 491 HA LYS 66 HA LYS 66 -3.389 -10.431 -2.883 492 1HB LYS 66 1HB LYS 66 -2.930 -9.734 -0.540 493 2HB LYS 66 2HB LYS 66 -4.565 -9.096 -0.440 494 1HG LYS 66 1HG LYS 66 -5.515 -11.262 -0.637 495 2HG LYS 66 2HG LYS 66 -3.956 -11.974 -1.055 496 1HD LYS 66 2HD LYS 66 -3.176 -11.874 1.108 497 2HD LYS 66 1HD LYS 66 -4.249 -10.541 1.544 498 1HE LYS 66 2HE LYS 66 -5.924 -12.675 0.851 499 2HE LYS 66 1HE LYS 66 -4.642 -13.376 1.838 500 1HZ LYS 66 1HZ LYS 66 -5.206 -12.103 3.640 501 2HZ LYS 66 2HZ LYS 66 -6.719 -12.436 2.976 502 H ALA 67 H ALA 67 -5.705 -7.846 -2.267 503 HA ALA 67 HA ALA 67 -7.979 -9.459 -2.940 504 1HB ALA 67 1HB ALA 67 -8.070 -7.613 -1.287 505 2HB ALA 67 2HB ALA 67 -9.288 -7.485 -2.557 506 3HB ALA 67 3HB ALA 67 -7.845 -6.470 -2.612 507 H VAL 68 H VAL 68 -5.753 -7.501 -4.672 508 HA VAL 68 HA VAL 68 -7.556 -7.107 -6.900 509 HB VAL 68 HB VAL 68 -5.860 -5.400 -6.192 510 1HG1 VAL 68 1HG2 VAL 68 -3.824 -6.878 -7.789 511 2HG1 VAL 68 2HG2 VAL 68 -4.029 -7.277 -6.084 512 3HG1 VAL 68 3HG2 VAL 68 -3.602 -5.631 -6.559 513 1HG2 VAL 68 1HG1 VAL 68 -5.074 -5.491 -8.880 514 2HG2 VAL 68 2HG1 VAL 68 -6.444 -4.622 -8.187 515 3HG2 VAL 68 3HG1 VAL 68 -6.661 -6.257 -8.811 516 H SER 69 H SER 69 -4.954 -9.229 -5.956 517 HA SER 69 HA SER 69 -4.679 -10.368 -8.609 518 1HB SER 69 1HB SER 69 -2.695 -10.161 -7.173 519 2HB SER 69 2HB SER 69 -3.447 -11.210 -5.973 520 HG SER 69 HG SER 69 -2.388 -12.676 -7.080 521 H LYS 70 H LYS 70 -6.460 -10.956 -5.711 522 HA LYS 70 HA LYS 70 -7.317 -13.576 -6.742 523 1HB LYS 70 2HB LYS 70 -7.552 -12.503 -3.924 524 2HB LYS 70 1HB LYS 70 -7.993 -14.118 -4.461 525 1HG LYS 70 2HG LYS 70 -5.557 -14.381 -5.151 526 2HG LYS 70 1HG LYS 70 -5.257 -12.922 -4.204 527 1HD LYS 70 1HD LYS 70 -4.828 -14.862 -2.836 528 2HD LYS 70 2HD LYS 70 -6.270 -14.037 -2.240 529 1HE LYS 70 1HE LYS 70 -7.706 -15.659 -3.199 530 2HE LYS 70 2HE LYS 70 -6.394 -16.362 -4.143 531 1HZ LYS 70 1HZ LYS 70 -5.731 -17.601 -2.439 532 2HZ LYS 70 2HZ LYS 70 -7.260 -17.308 -1.796 Start of MODEL 8 1 H VAL 7 H VAL 7 17.016 3.728 -3.631 2 HA VAL 7 HA VAL 7 15.563 2.777 -5.770 3 HB VAL 7 HB VAL 7 14.081 1.681 -3.981 4 1HG1 VAL 7 1HG1 VAL 7 16.516 1.032 -5.009 5 2HG1 VAL 7 2HG1 VAL 7 15.550 -0.016 -3.970 6 3HG1 VAL 7 3HG1 VAL 7 16.835 0.972 -3.276 7 1HG2 VAL 7 1HG2 VAL 7 14.345 2.139 -1.802 8 2HG2 VAL 7 2HG2 VAL 7 15.053 3.649 -2.375 9 3HG2 VAL 7 3HG2 VAL 7 16.097 2.294 -1.945 10 H ARG 8 H ARG 8 13.714 3.331 -6.764 11 HA ARG 8 HA ARG 8 11.591 4.674 -5.423 12 1HB ARG 8 2HB ARG 8 13.510 6.241 -7.038 13 2HB ARG 8 1HB ARG 8 11.810 6.544 -7.373 14 1HG ARG 8 1HG ARG 8 11.524 6.881 -4.878 15 2HG ARG 8 2HG ARG 8 13.286 6.902 -4.783 16 1HD ARG 8 2HD ARG 8 13.386 8.792 -6.279 17 2HD ARG 8 1HD ARG 8 11.642 8.728 -6.531 18 1HH1 ARG 8 1HH2 ARG 8 10.010 8.610 -5.468 19 2HH1 ARG 8 2HH2 ARG 8 9.057 9.448 -4.289 20 1HH2 ARG 8 2HH1 ARG 8 11.796 10.942 -2.710 21 2HH2 ARG 8 1HH1 ARG 8 10.071 10.772 -2.721 22 H CYS 9 H CYS 9 9.678 4.444 -6.524 23 HA CYS 9 HA CYS 9 9.708 2.627 -8.758 24 1HB CYS 9 1HB CYS 9 7.732 3.669 -6.867 25 2HB CYS 9 2HB CYS 9 7.097 3.468 -8.492 26 H THR 10 H THR 10 7.846 5.605 -8.340 27 HA THR 10 HA THR 10 8.883 7.011 -10.518 28 HB THR 10 HB THR 10 6.461 6.400 -11.723 29 HG1 THR 10 HG1 THR 10 6.012 4.450 -11.173 30 1HG2 THR 10 1HG2 THR 10 8.225 6.772 -13.162 31 2HG2 THR 10 2HG2 THR 10 7.966 5.033 -13.309 32 3HG2 THR 10 3HG2 THR 10 9.282 5.647 -12.307 33 H CYS 11 H CYS 11 5.570 6.225 -9.443 34 HA CYS 11 HA CYS 11 4.755 8.951 -9.474 35 1HB CYS 11 1HB CYS 11 3.530 6.357 -8.724 36 2HB CYS 11 2HB CYS 11 2.868 7.782 -7.930 37 H ILE 12 H ILE 12 5.415 10.433 -8.086 38 HA ILE 12 HA ILE 12 6.693 9.901 -5.643 39 HB ILE 12 HB ILE 12 5.327 12.488 -6.367 40 1HG1 ILE 12 1HG1 ILE 12 8.182 12.322 -6.936 41 2HG1 ILE 12 2HG1 ILE 12 7.248 11.176 -7.891 42 1HG2 ILE 12 1HG2 ILE 12 6.189 13.210 -4.456 43 2HG2 ILE 12 2HG2 ILE 12 7.804 12.869 -5.078 44 3HG2 ILE 12 3HG2 ILE 12 6.932 11.636 -4.166 45 1HD1 ILE 12 1HD1 ILE 12 5.809 13.041 -8.636 46 2HD1 ILE 12 2HD1 ILE 12 7.495 13.211 -9.120 47 3HD1 ILE 12 3HD1 ILE 12 6.867 14.154 -7.769 48 H SER 13 H SER 13 3.349 10.153 -6.452 49 HA SER 13 HA SER 13 2.604 10.428 -3.630 50 1HB SER 13 1HB SER 13 0.544 11.241 -4.313 51 2HB SER 13 2HB SER 13 1.571 11.798 -5.634 52 HG SER 13 HG SER 13 0.940 9.667 -6.618 53 H ILE 14 H ILE 14 1.192 8.962 -2.631 54 HA ILE 14 HA ILE 14 0.647 6.449 -4.032 55 HB ILE 14 HB ILE 14 1.418 5.121 -2.108 56 1HG1 ILE 14 2HG1 ILE 14 2.871 7.555 -1.103 57 2HG1 ILE 14 1HG1 ILE 14 1.237 7.199 -0.554 58 1HG2 ILE 14 1HG2 ILE 14 2.881 5.963 -4.152 59 2HG2 ILE 14 2HG2 ILE 14 3.556 4.961 -2.869 60 3HG2 ILE 14 3HG2 ILE 14 3.812 6.706 -2.853 61 1HD1 ILE 14 1HD1 ILE 14 3.763 5.696 -0.069 62 2HD1 ILE 14 2HD1 ILE 14 2.210 4.865 0.003 63 3HD1 ILE 14 3HD1 ILE 14 2.530 6.226 1.077 64 H SER 15 H SER 15 -0.527 4.960 -2.192 65 HA SER 15 HA SER 15 -2.781 6.617 -1.331 66 1HB SER 15 2HB SER 15 -3.588 4.862 -2.665 67 2HB SER 15 1HB SER 15 -2.499 3.683 -1.933 68 HG SER 15 HG SER 15 -4.661 4.960 -0.608 69 H ASN 16 H ASN 16 -2.038 3.492 0.114 70 HA ASN 16 HA ASN 16 -1.982 2.910 2.332 71 1HB ASN 16 2HB ASN 16 0.385 3.469 1.756 72 2HB ASN 16 1HB ASN 16 0.110 5.088 2.390 73 1HD2 ASN 16 1HD2 ASN 16 2.082 3.969 3.568 74 2HD2 ASN 16 2HD2 ASN 16 1.682 3.317 5.116 75 H GLN 17 H GLN 17 -3.901 5.007 1.691 76 HA GLN 17 HA GLN 17 -4.035 6.345 4.310 77 1HB GLN 17 2HB GLN 17 -4.640 8.334 3.359 78 2HB GLN 17 1HB GLN 17 -3.657 7.696 2.058 79 1HG GLN 17 1HG GLN 17 -5.959 6.729 1.231 80 2HG GLN 17 2HG GLN 17 -6.597 8.057 2.197 81 1HE2 GLN 17 2HE2 GLN 17 -6.379 10.126 1.489 82 2HE2 GLN 17 1HE2 GLN 17 -5.714 10.550 -0.047 83 HA PRO 18 HA PRO 18 -8.120 5.058 5.351 84 1HB PRO 18 2HB PRO 18 -9.266 7.450 3.950 85 2HB PRO 18 1HB PRO 18 -9.706 6.750 5.514 86 1HG PRO 18 1HG PRO 18 -8.140 8.896 5.399 87 2HG PRO 18 2HG PRO 18 -7.828 7.608 6.577 88 1HD PRO 18 2HD PRO 18 -6.359 8.308 4.102 89 2HD PRO 18 1HD PRO 18 -5.764 7.537 5.582 90 H VAL 19 H VAL 19 -7.644 6.134 2.032 91 HA VAL 19 HA VAL 19 -9.757 4.342 1.122 92 HB VAL 19 HB VAL 19 -9.028 5.269 -1.189 93 1HG1 VAL 19 1HG2 VAL 19 -11.152 5.842 -0.494 94 2HG1 VAL 19 2HG2 VAL 19 -10.376 7.422 -0.627 95 3HG1 VAL 19 3HG2 VAL 19 -10.570 6.666 0.954 96 1HG2 VAL 19 1HG1 VAL 19 -8.037 7.472 -1.149 97 2HG2 VAL 19 2HG1 VAL 19 -6.955 6.317 -0.370 98 3HG2 VAL 19 3HG1 VAL 19 -7.922 7.421 0.609 99 H ASN 20 H ASN 20 -7.952 2.828 2.207 100 HA ASN 20 HA ASN 20 -5.799 1.946 0.647 101 1HB ASN 20 2HB ASN 20 -7.561 0.280 2.463 102 2HB ASN 20 1HB ASN 20 -5.902 -0.068 2.010 103 1HD2 ASN 20 1HD2 ASN 20 -4.393 1.881 2.429 104 2HD2 ASN 20 2HD2 ASN 20 -4.522 2.551 4.019 105 HA PRO 21 HA PRO 21 -7.327 -0.432 -2.694 106 1HB PRO 21 1HB PRO 21 -7.030 -3.071 -1.360 107 2HB PRO 21 2HB PRO 21 -6.450 -2.515 -2.948 108 1HG PRO 21 2HG PRO 21 -4.761 -2.666 -0.917 109 2HG PRO 21 1HG PRO 21 -4.713 -1.270 -1.999 110 1HD PRO 21 1HD PRO 21 -5.895 -1.541 0.737 111 2HD PRO 21 2HD PRO 21 -4.896 -0.230 0.071 112 H ARG 22 H ARG 22 -8.990 -0.852 0.291 113 HA ARG 22 HA ARG 22 -11.192 -2.419 -0.349 114 1HB ARG 22 2HB ARG 22 -10.708 -0.074 1.373 115 2HB ARG 22 1HB ARG 22 -12.375 -0.254 0.846 116 1HG ARG 22 2HG ARG 22 -10.759 -2.372 2.250 117 2HG ARG 22 1HG ARG 22 -11.958 -1.323 3.011 118 1HD ARG 22 2HD ARG 22 -12.449 -3.364 0.846 119 2HD ARG 22 1HD ARG 22 -12.955 -3.466 2.532 120 1HH1 ARG 22 1HH2 ARG 22 -14.142 -4.484 0.571 121 2HH1 ARG 22 2HH2 ARG 22 -15.735 -4.384 -0.099 122 1HH2 ARG 22 2HH1 ARG 22 -16.198 -1.026 0.755 123 2HH2 ARG 22 1HH1 ARG 22 -16.905 -2.419 0.005 124 H SER 23 H SER 23 -10.160 0.692 -1.427 125 HA SER 23 HA SER 23 -12.295 0.865 -3.421 126 1HB SER 23 1HB SER 23 -10.101 2.897 -3.019 127 2HB SER 23 2HB SER 23 -11.707 3.139 -3.701 128 HG SER 23 HG SER 23 -10.884 3.125 -1.065 129 H LEU 24 H LEU 24 -11.641 -0.749 -4.813 130 HA LEU 24 HA LEU 24 -9.013 -0.383 -6.124 131 1HB LEU 24 2HB LEU 24 -8.452 -2.157 -4.647 132 2HB LEU 24 1HB LEU 24 -9.972 -2.979 -4.931 133 HG LEU 24 HG LEU 24 -8.544 -2.721 -7.408 134 1HD1 LEU 24 1HD2 LEU 24 -6.821 -2.991 -5.194 135 2HD1 LEU 24 2HD2 LEU 24 -6.436 -3.163 -6.903 136 3HD1 LEU 24 3HD2 LEU 24 -6.918 -4.574 -5.962 137 1HD2 LEU 24 1HD1 LEU 24 -10.342 -4.375 -6.566 138 2HD2 LEU 24 2HD1 LEU 24 -8.972 -5.259 -5.888 139 3HD2 LEU 24 3HD1 LEU 24 -9.060 -4.967 -7.624 140 H GLU 25 H GLU 25 -9.078 -0.682 -8.329 141 HA GLU 25 HA GLU 25 -11.449 -1.986 -9.468 142 1HB GLU 25 1HB GLU 25 -11.651 0.661 -9.150 143 2HB GLU 25 2HB GLU 25 -10.796 0.656 -10.680 144 1HG GLU 25 1HG GLU 25 -12.522 -0.490 -11.771 145 2HG GLU 25 2HG GLU 25 -13.287 -0.949 -10.251 146 H LYS 26 H LYS 26 -8.998 0.190 -10.809 147 HA LYS 26 HA LYS 26 -8.268 -1.931 -12.700 148 1HB LYS 26 2HB LYS 26 -7.466 0.912 -13.138 149 2HB LYS 26 1HB LYS 26 -7.825 -0.336 -14.320 150 1HG LYS 26 2HG LYS 26 -9.962 0.869 -12.590 151 2HG LYS 26 1HG LYS 26 -9.465 1.598 -14.120 152 1HD LYS 26 2HD LYS 26 -9.876 -0.740 -15.122 153 2HD LYS 26 1HD LYS 26 -10.773 -1.058 -13.635 154 1HE LYS 26 2HE LYS 26 -12.464 0.344 -14.193 155 2HE LYS 26 1HE LYS 26 -11.400 1.462 -15.046 156 1HZ LYS 26 1HZ LYS 26 -12.823 -0.867 -16.031 157 2HZ LYS 26 2HZ LYS 26 -11.263 -0.657 -16.633 158 1HN MLE 27 1HM LEM 27 -7.274 -3.459 -12.145 159 2HN MLE 27 2HM LEM 27 -7.817 -3.232 -10.484 160 3HN MLE 27 3HM LEM 27 -6.318 -4.097 -10.812 161 HA MLE 27 HA LEM 27 -4.578 -1.154 -10.443 162 1HB MLE 27 1HB LEM 27 -4.595 -3.300 -8.647 163 2HB MLE 27 2HB LEM 27 -6.264 -2.813 -8.800 164 HG MLE 27 HG LEM 27 -4.272 -0.685 -8.382 165 1HD1 MLE 27 1HD1 LEM 27 -7.127 -1.152 -8.026 166 2HD1 MLE 27 2HD1 LEM 27 -6.251 0.354 -8.297 167 3HD1 MLE 27 3HD1 LEM 27 -6.370 -0.316 -6.671 168 1HD2 MLE 27 1HD2 LEM 27 -3.723 -1.109 -6.285 169 2HD2 MLE 27 2HD2 LEM 27 -3.935 -2.780 -6.792 170 3HD2 MLE 27 3HD2 LEM 27 -5.226 -1.948 -5.918 171 H GLU 28 H GLU 28 -3.076 -1.621 -11.911 172 HA GLU 28 HA GLU 28 -2.521 -4.393 -12.623 173 1HB GLU 28 2HB GLU 28 -2.499 -2.840 -14.461 174 2HB GLU 28 1HB GLU 28 -1.390 -1.772 -13.610 175 1HG GLU 28 2HG GLU 28 -0.118 -4.257 -13.719 176 2HG GLU 28 1HG GLU 28 -0.830 -4.008 -15.313 177 H ILE 29 H ILE 29 -1.571 -5.328 -10.863 178 HA ILE 29 HA ILE 29 0.510 -3.923 -9.434 179 HB ILE 29 HB ILE 29 0.550 -5.819 -7.913 180 1HG1 ILE 29 1HG1 ILE 29 -1.392 -7.524 -8.317 181 2HG1 ILE 29 2HG1 ILE 29 -1.236 -7.029 -10.000 182 1HG2 ILE 29 1HG2 ILE 29 -1.870 -5.671 -7.174 183 2HG2 ILE 29 2HG2 ILE 29 -2.133 -4.656 -8.593 184 3HG2 ILE 29 3HG2 ILE 29 -0.998 -4.146 -7.343 185 1HD1 ILE 29 1HD1 ILE 29 0.458 -8.415 -10.261 186 2HD1 ILE 29 2HD1 ILE 29 0.285 -8.931 -8.582 187 3HD1 ILE 29 3HD1 ILE 29 1.360 -7.588 -8.989 188 H ILE 30 H ILE 30 2.601 -4.385 -9.332 189 HA ILE 30 HA ILE 30 3.659 -6.659 -10.838 190 HB ILE 30 HB ILE 30 5.396 -4.332 -11.086 191 1HG1 ILE 30 1HG1 ILE 30 2.877 -4.245 -12.753 192 2HG1 ILE 30 2HG1 ILE 30 3.068 -3.275 -11.297 193 1HG2 ILE 30 1HG2 ILE 30 4.603 -5.412 -13.585 194 2HG2 ILE 30 2HG2 ILE 30 4.771 -6.744 -12.442 195 3HG2 ILE 30 3HG2 ILE 30 6.121 -5.642 -12.717 196 1HD1 ILE 30 1HD1 ILE 30 5.366 -2.763 -12.741 197 2HD1 ILE 30 2HD1 ILE 30 3.950 -1.720 -12.602 198 3HD1 ILE 30 3HD1 ILE 30 4.093 -2.837 -13.959 199 HA PRO 31 HA PRO 31 6.305 -6.827 -7.291 200 1HB PRO 31 1HB PRO 31 8.147 -8.556 -8.137 201 2HB PRO 31 2HB PRO 31 6.447 -9.027 -8.035 202 1HG PRO 31 2HG PRO 31 8.093 -8.368 -10.423 203 2HG PRO 31 1HG PRO 31 6.736 -9.497 -10.269 204 1HD PRO 31 1HD PRO 31 6.658 -6.827 -11.255 205 2HD PRO 31 2HD PRO 31 5.280 -7.904 -10.961 206 H ALA 32 H ALA 32 7.192 -4.714 -7.051 207 HA ALA 32 HA ALA 32 9.540 -3.993 -8.583 208 1HB ALA 32 1HB ALA 32 9.563 -2.008 -7.040 209 2HB ALA 32 2HB ALA 32 8.030 -2.603 -6.400 210 3HB ALA 32 3HB ALA 32 8.164 -2.161 -8.107 211 H SER 33 H SER 33 11.585 -3.435 -7.587 212 HA SER 33 HA SER 33 12.214 -4.355 -4.967 213 1HB SER 33 2HB SER 33 12.118 -6.563 -5.854 214 2HB SER 33 1HB SER 33 12.999 -6.090 -7.306 215 HG SER 33 HG SER 33 14.847 -6.130 -6.224 216 H GLN 34 H GLN 34 14.281 -4.668 -7.801 217 HA GLN 34 HA GLN 34 16.483 -3.381 -6.834 218 1HB GLN 34 2HB GLN 34 17.227 -3.122 -9.098 219 2HB GLN 34 1HB GLN 34 16.313 -4.620 -9.004 220 1HG GLN 34 1HG GLN 34 14.360 -2.892 -9.705 221 2HG GLN 34 2HG GLN 34 15.753 -2.150 -10.490 222 1HE2 GLN 34 1HE2 GLN 34 16.427 -2.952 -12.366 223 2HE2 GLN 34 2HE2 GLN 34 15.875 -4.426 -13.077 224 H PHE 35 H PHE 35 13.538 -1.948 -7.986 225 HA PHE 35 HA PHE 35 14.730 0.722 -7.741 226 1HB PHE 35 1HB PHE 35 12.781 -0.447 -9.555 227 2HB PHE 35 2HB PHE 35 12.177 1.029 -8.807 228 HD1 PHE 35 HD1 PHE 35 15.757 0.568 -9.374 229 HD2 PHE 35 HD2 PHE 35 12.145 2.197 -10.925 230 HE1 PHE 35 HE1 PHE 35 17.054 1.908 -10.978 231 HE2 PHE 35 HE2 PHE 35 13.436 3.540 -12.531 232 HZ PHE 35 HZ PHE 35 15.893 3.396 -12.560 233 H CYS 36 H CYS 36 11.868 -1.178 -6.790 234 HA CYS 36 HA CYS 36 11.692 0.396 -4.357 235 1HB CYS 36 2HB CYS 36 9.144 0.703 -4.902 236 2HB CYS 36 1HB CYS 36 10.326 1.828 -5.544 237 HA PRO 37 HA PRO 37 10.905 -4.119 -3.642 238 1HB PRO 37 2HB PRO 37 11.481 -2.989 -0.932 239 2HB PRO 37 1HB PRO 37 12.003 -4.521 -1.649 240 1HG PRO 37 1HG PRO 37 13.713 -2.525 -1.546 241 2HG PRO 37 2HG PRO 37 13.571 -3.468 -3.044 242 1HD PRO 37 1HD PRO 37 12.470 -0.756 -2.406 243 2HD PRO 37 2HD PRO 37 13.231 -1.338 -3.899 244 H ARG 38 H ARG 38 8.700 -3.449 -4.264 245 HA ARG 38 HA ARG 38 6.880 -3.990 -2.154 246 1HB ARG 38 1HB ARG 38 7.442 -1.236 -2.667 247 2HB ARG 38 2HB ARG 38 5.806 -1.569 -3.210 248 1HG ARG 38 2HG ARG 38 5.120 -1.380 -1.119 249 2HG ARG 38 1HG ARG 38 6.069 -2.810 -0.705 250 1HD ARG 38 2HD ARG 38 6.637 -0.922 0.736 251 2HD ARG 38 1HD ARG 38 8.010 -1.404 -0.262 252 1HH1 ARG 38 2HH2 ARG 38 9.108 -0.078 0.686 253 2HH1 ARG 38 1HH2 ARG 38 9.866 1.470 0.512 254 1HH2 ARG 38 1HH1 ARG 38 7.405 2.761 -1.611 255 2HH2 ARG 38 2HH1 ARG 38 8.897 3.083 -0.793 256 H VAL 39 H VAL 39 4.532 -3.011 -3.389 257 HA VAL 39 HA VAL 39 4.549 -4.604 -5.843 258 HB VAL 39 HB VAL 39 2.021 -3.461 -4.700 259 1HG1 VAL 39 1HG1 VAL 39 1.994 -4.507 -6.910 260 2HG1 VAL 39 2HG1 VAL 39 1.052 -5.435 -5.744 261 3HG1 VAL 39 3HG1 VAL 39 2.657 -5.988 -6.222 262 1HG2 VAL 39 1HG2 VAL 39 3.406 -4.689 -2.915 263 2HG2 VAL 39 2HG2 VAL 39 3.110 -6.141 -3.867 264 3HG2 VAL 39 3HG2 VAL 39 1.755 -5.248 -3.185 265 H GLU 40 H GLU 40 4.599 -3.632 -7.758 266 HA GLU 40 HA GLU 40 4.353 -0.743 -7.902 267 1HB GLU 40 1HB GLU 40 5.491 -2.890 -9.585 268 2HB GLU 40 2HB GLU 40 4.644 -1.640 -10.496 269 1HG GLU 40 2HG GLU 40 6.094 0.039 -9.787 270 2HG GLU 40 1HG GLU 40 6.704 -0.928 -8.445 271 H ILE 41 H ILE 41 2.404 0.159 -8.230 272 HA ILE 41 HA ILE 41 0.438 -1.418 -9.726 273 HB ILE 41 HB ILE 41 0.257 -1.933 -7.346 274 1HG1 ILE 41 2HG1 ILE 41 -2.101 -1.636 -7.135 275 2HG1 ILE 41 1HG1 ILE 41 -2.092 -0.276 -8.252 276 1HG2 ILE 41 1HG2 ILE 41 0.491 -0.402 -5.781 277 2HG2 ILE 41 2HG2 ILE 41 -0.936 0.449 -6.374 278 3HG2 ILE 41 3HG2 ILE 41 0.652 0.827 -7.027 279 1HD1 ILE 41 1HD1 ILE 41 -1.086 -2.884 -9.213 280 2HD1 ILE 41 2HD1 ILE 41 -1.955 -1.618 -10.078 281 3HD1 ILE 41 3HD1 ILE 41 -2.817 -2.696 -8.983 282 H ILE 42 H ILE 42 -0.611 -0.291 -11.161 283 HA ILE 42 HA ILE 42 -0.947 2.602 -10.781 284 HB ILE 42 HB ILE 42 -1.910 1.095 -13.192 285 1HG1 ILE 42 2HG1 ILE 42 0.518 0.624 -12.892 286 2HG1 ILE 42 1HG1 ILE 42 0.185 1.591 -14.326 287 1HG2 ILE 42 1HG2 ILE 42 -1.722 3.853 -12.271 288 2HG2 ILE 42 2HG2 ILE 42 -2.735 3.148 -13.534 289 3HG2 ILE 42 3HG2 ILE 42 -1.075 3.623 -13.899 290 1HD1 ILE 42 1HD1 ILE 42 1.797 2.207 -12.001 291 2HD1 ILE 42 2HD1 ILE 42 0.635 3.479 -12.376 292 3HD1 ILE 42 3HD1 ILE 42 1.784 2.945 -13.602 293 H ALA 43 H ALA 43 -2.414 2.504 -9.127 294 HA ALA 43 HA ALA 43 -4.682 0.754 -9.381 295 1HB ALA 43 1HB ALA 43 -5.110 1.448 -7.012 296 2HB ALA 43 2HB ALA 43 -3.677 2.468 -7.124 297 3HB ALA 43 3HB ALA 43 -3.528 0.721 -7.290 298 H THR 44 H THR 44 -6.573 1.228 -9.996 299 HA THR 44 HA THR 44 -7.537 3.996 -9.753 300 HB THR 44 HB THR 44 -8.498 1.829 -11.639 301 HG1 THR 44 HG1 THR 44 -7.339 4.348 -12.203 302 1HG2 THR 44 1HG2 THR 44 -9.470 4.659 -11.605 303 2HG2 THR 44 2HG2 THR 44 -10.298 3.372 -10.729 304 3HG2 THR 44 3HG2 THR 44 -10.125 3.275 -12.482 305 H MET 45 H MET 45 -9.019 4.262 -8.214 306 HA MET 45 HA MET 45 -9.689 1.963 -6.649 307 1HB MET 45 2HB MET 45 -10.006 4.930 -6.309 308 2HB MET 45 1HB MET 45 -10.705 3.805 -5.160 309 1HG MET 45 2HG MET 45 -8.686 3.176 -4.324 310 2HG MET 45 1HG MET 45 -7.844 3.470 -5.845 311 1HE MET 45 1HE MET 45 -6.027 5.852 -3.306 312 2HE MET 45 2HE MET 45 -5.821 4.548 -4.474 313 3HE MET 45 3HE MET 45 -6.692 4.255 -2.968 314 H LYS 46 H LYS 46 -11.472 0.803 -6.757 315 HA LYS 46 HA LYS 46 -13.903 1.927 -7.925 316 1HB LYS 46 2HB LYS 46 -13.028 -0.510 -8.370 317 2HB LYS 46 1HB LYS 46 -13.753 -0.849 -6.811 318 1HG LYS 46 2HG LYS 46 -15.767 0.478 -8.044 319 2HG LYS 46 1HG LYS 46 -15.007 -0.341 -9.410 320 1HD LYS 46 2HD LYS 46 -15.060 -2.370 -7.663 321 2HD LYS 46 1HD LYS 46 -16.460 -1.462 -7.088 322 1HE LYS 46 1HE LYS 46 -17.602 -2.546 -8.674 323 2HE LYS 46 2HE LYS 46 -16.817 -1.440 -9.802 324 1HZ LYS 46 1HZ LYS 46 -15.887 -3.178 -10.751 325 2HZ LYS 46 2HZ LYS 46 -16.562 -4.224 -9.615 326 H LYS 47 H LYS 47 -14.828 3.177 -6.528 327 HA LYS 47 HA LYS 47 -16.225 2.543 -4.312 328 1HB LYS 47 1HB LYS 47 -13.447 2.433 -3.689 329 2HB LYS 47 2HB LYS 47 -14.195 3.746 -2.814 330 1HG LYS 47 2HG LYS 47 -15.173 0.911 -2.797 331 2HG LYS 47 1HG LYS 47 -14.136 1.636 -1.566 332 1HD LYS 47 1HD LYS 47 -15.936 2.413 -0.519 333 2HD LYS 47 2HD LYS 47 -16.345 3.367 -1.947 334 1HE LYS 47 2HE LYS 47 -17.933 1.913 -2.626 335 2HE LYS 47 1HE LYS 47 -17.021 0.503 -2.088 336 1HZ LYS 47 1HZ LYS 47 -18.475 2.356 -0.287 337 2HZ LYS 47 2HZ LYS 47 -19.090 0.888 -0.840 338 H LYS 48 H LYS 48 -14.046 4.766 -5.835 339 HA LYS 48 HA LYS 48 -15.994 6.875 -5.701 340 1HB LYS 48 1HB LYS 48 -14.736 6.896 -3.509 341 2HB LYS 48 2HB LYS 48 -13.300 7.338 -4.428 342 1HG LYS 48 2HG LYS 48 -14.240 9.329 -3.519 343 2HG LYS 48 1HG LYS 48 -14.511 9.337 -5.262 344 1HD LYS 48 2HD LYS 48 -16.804 8.327 -4.718 345 2HD LYS 48 1HD LYS 48 -16.484 8.826 -3.056 346 1HE LYS 48 2HE LYS 48 -17.639 10.644 -3.881 347 2HE LYS 48 1HE LYS 48 -15.964 11.134 -4.132 348 1HZ LYS 48 1HZ LYS 48 -16.199 11.097 -6.330 349 2HZ LYS 48 2HZ LYS 48 -17.088 9.666 -6.329 350 H GLY 49 H GLY 49 -14.416 5.261 -7.663 351 1HA GLY 49 2HA GLY 49 -13.154 5.532 -9.578 352 2HA GLY 49 1HA GLY 49 -14.171 6.955 -9.746 353 H GLU 50 H GLU 50 -11.217 5.889 -8.066 354 HA GLU 50 HA GLU 50 -10.065 8.524 -8.711 355 1HB GLU 50 1HB GLU 50 -10.498 7.498 -6.178 356 2HB GLU 50 2HB GLU 50 -8.800 7.148 -6.469 357 1HG GLU 50 2HG GLU 50 -8.309 9.450 -6.838 358 2HG GLU 50 1HG GLU 50 -10.022 9.871 -6.830 359 H LYS 51 H LYS 51 -7.706 8.548 -8.967 360 HA LYS 51 HA LYS 51 -6.640 5.961 -9.894 361 1HB LYS 51 2HB LYS 51 -7.272 7.510 -11.770 362 2HB LYS 51 1HB LYS 51 -6.067 8.639 -11.170 363 1HG LYS 51 2HG LYS 51 -4.356 7.468 -12.025 364 2HG LYS 51 1HG LYS 51 -5.084 5.912 -11.622 365 1HD LYS 51 2HD LYS 51 -6.419 5.917 -13.562 366 2HD LYS 51 1HD LYS 51 -6.127 7.632 -13.856 367 1HE LYS 51 2HE LYS 51 -4.149 5.374 -14.121 368 2HE LYS 51 1HE LYS 51 -4.835 6.348 -15.422 369 1HZ LYS 51 1HZ LYS 51 -2.835 7.357 -15.128 370 2HZ LYS 51 2HZ LYS 51 -2.765 7.033 -13.476 371 H ARG 52 H ARG 52 -4.786 5.384 -8.962 372 HA ARG 52 HA ARG 52 -2.900 7.386 -8.036 373 1HB ARG 52 1HB ARG 52 -4.748 6.718 -6.254 374 2HB ARG 52 2HB ARG 52 -3.696 5.328 -6.026 375 1HG ARG 52 1HG ARG 52 -3.039 6.907 -4.416 376 2HG ARG 52 2HG ARG 52 -1.809 6.970 -5.679 377 1HD ARG 52 2HD ARG 52 -2.241 9.109 -6.115 378 2HD ARG 52 1HD ARG 52 -3.976 8.807 -6.214 379 1HH1 ARG 52 1HH1 ARG 52 -5.410 8.192 -4.985 380 2HH1 ARG 52 2HH1 ARG 52 -6.326 8.665 -3.593 381 1HH2 ARG 52 1HH2 ARG 52 -3.709 10.459 -2.123 382 2HH2 ARG 52 2HH2 ARG 52 -5.359 9.955 -1.966 383 H CYS 53 H CYS 53 -0.872 6.485 -7.318 384 HA CYS 53 HA CYS 53 -0.300 3.801 -8.430 385 1HB CYS 53 2HB CYS 53 1.832 5.838 -7.951 386 2HB CYS 53 1HB CYS 53 1.798 4.520 -9.116 387 H LEU 54 H LEU 54 -0.509 2.543 -6.637 388 HA LEU 54 HA LEU 54 0.515 3.475 -4.091 389 1HB LEU 54 2HB LEU 54 -0.638 0.753 -4.419 390 2HB LEU 54 1HB LEU 54 -0.806 1.887 -3.096 391 HG LEU 54 HG LEU 54 -2.298 1.823 -5.704 392 1HD1 LEU 54 1HD1 LEU 54 -3.911 0.979 -4.444 393 2HD1 LEU 54 2HD1 LEU 54 -3.869 2.405 -3.407 394 3HD1 LEU 54 3HD1 LEU 54 -2.836 1.021 -3.045 395 1HD2 LEU 54 1HD2 LEU 54 -2.169 4.057 -5.772 396 2HD2 LEU 54 2HD2 LEU 54 -1.551 4.169 -4.123 397 3HD2 LEU 54 3HD2 LEU 54 -3.285 4.011 -4.407 398 H ASN 55 H ASN 55 1.709 1.979 -2.670 399 HA ASN 55 HA ASN 55 3.450 0.097 -4.032 400 1HB ASN 55 2HB ASN 55 4.365 2.664 -2.821 401 2HB ASN 55 1HB ASN 55 5.345 1.234 -2.517 402 1HD2 ASN 55 2HD2 ASN 55 4.632 3.713 -4.671 403 2HD2 ASN 55 1HD2 ASN 55 5.543 3.142 -6.022 404 HA PRO 56 HA PRO 56 1.027 -1.328 -0.301 405 1HB PRO 56 2HB PRO 56 2.660 -3.518 -1.578 406 2HB PRO 56 1HB PRO 56 1.182 -3.695 -0.622 407 1HG PRO 56 1HG PRO 56 0.927 -3.514 -3.238 408 2HG PRO 56 2HG PRO 56 -0.116 -2.515 -2.212 409 1HD PRO 56 1HD PRO 56 2.202 -1.687 -3.887 410 2HD PRO 56 2HD PRO 56 0.784 -0.746 -3.371 411 H GLU 57 H GLU 57 1.998 -0.219 1.264 412 HA GLU 57 HA GLU 57 4.222 -1.521 2.641 413 1HB GLU 57 2HB GLU 57 5.058 0.826 3.212 414 2HB GLU 57 1HB GLU 57 5.330 0.303 1.552 415 1HG GLU 57 2HG GLU 57 2.847 1.504 1.441 416 2HG GLU 57 1HG GLU 57 3.740 2.512 2.572 417 H SER 58 H SER 58 1.607 -1.912 3.301 418 HA SER 58 HA SER 58 1.364 -0.675 5.885 419 1HB SER 58 1HB SER 58 0.294 0.758 3.843 420 2HB SER 58 2HB SER 58 -1.082 -0.227 4.283 421 HG SER 58 HG SER 58 -1.199 1.535 5.578 422 H LYS 59 H LYS 59 -1.403 -1.152 6.255 423 HA LYS 59 HA LYS 59 -1.349 -4.044 6.487 424 1HB LYS 59 2HB LYS 59 -1.922 -2.586 8.409 425 2HB LYS 59 1HB LYS 59 -3.398 -2.143 7.575 426 1HG LYS 59 1HG LYS 59 -2.922 -5.030 7.866 427 2HG LYS 59 2HG LYS 59 -3.218 -4.143 9.363 428 1HD LYS 59 1HD LYS 59 -5.014 -3.726 7.010 429 2HD LYS 59 2HD LYS 59 -5.219 -5.151 8.029 430 1HE LYS 59 1HE LYS 59 -5.835 -3.914 9.870 431 2HE LYS 59 2HE LYS 59 -5.006 -2.464 9.305 432 1HZ LYS 59 1HZ LYS 59 -7.680 -3.415 8.733 433 2HZ LYS 59 2HZ LYS 59 -7.091 -1.840 8.828 434 H ALA 60 H ALA 60 -4.138 -1.910 5.820 435 HA ALA 60 HA ALA 60 -5.629 -3.783 4.393 436 1HB ALA 60 1HB ALA 60 -6.713 -1.737 3.332 437 2HB ALA 60 2HB ALA 60 -5.590 -0.779 4.297 438 3HB ALA 60 3HB ALA 60 -6.754 -1.839 5.092 439 H ILE 61 H ILE 61 -2.990 -1.763 3.462 440 HA ILE 61 HA ILE 61 -3.067 -1.747 0.713 441 HB ILE 61 HB ILE 61 -1.176 -1.323 2.814 442 1HG1 ILE 61 1HG1 ILE 61 -1.707 0.461 1.396 443 2HG1 ILE 61 2HG1 ILE 61 -0.040 0.062 1.006 444 1HG2 ILE 61 1HG2 ILE 61 0.090 -3.214 2.318 445 2HG2 ILE 61 2HG2 ILE 61 0.914 -1.870 1.549 446 3HG2 ILE 61 3HG2 ILE 61 -0.063 -2.954 0.581 447 1HD1 ILE 61 1HD1 ILE 61 -0.870 0.265 -1.081 448 2HD1 ILE 61 2HD1 ILE 61 -2.489 -0.250 -0.607 449 3HD1 ILE 61 3HD1 ILE 61 -1.208 -1.444 -0.811 450 H LYS 62 H LYS 62 -2.027 -4.279 2.956 451 HA LYS 62 HA LYS 62 -0.956 -6.143 1.167 452 1HB LYS 62 1HB LYS 62 -0.819 -6.413 3.606 453 2HB LYS 62 2HB LYS 62 -2.559 -6.658 3.687 454 1HG LYS 62 2HG LYS 62 -2.400 -8.729 2.523 455 2HG LYS 62 1HG LYS 62 -0.697 -8.452 2.149 456 1HD LYS 62 2HD LYS 62 -0.309 -9.710 3.969 457 2HD LYS 62 1HD LYS 62 -0.703 -8.242 4.865 458 1HE LYS 62 1HE LYS 62 -2.182 -9.602 5.891 459 2HE LYS 62 2HE LYS 62 -3.173 -9.216 4.485 460 1HZ LYS 62 1HZ LYS 62 -2.745 -11.240 3.514 461 2HZ LYS 62 2HZ LYS 62 -2.898 -11.647 5.143 462 H ASN 63 H ASN 63 -4.228 -5.246 1.927 463 HA ASN 63 HA ASN 63 -5.564 -7.368 0.607 464 1HB ASN 63 1HB ASN 63 -6.390 -5.329 2.194 465 2HB ASN 63 2HB ASN 63 -6.826 -4.686 0.613 466 1HD2 ASN 63 2HD2 ASN 63 -8.982 -4.878 0.663 467 2HD2 ASN 63 1HD2 ASN 63 -9.831 -6.370 0.853 468 H LEU 64 H LEU 64 -4.087 -4.366 -0.384 469 HA LEU 64 HA LEU 64 -5.091 -3.893 -2.885 470 1HB LEU 64 2HB LEU 64 -3.153 -2.611 -1.870 471 2HB LEU 64 1HB LEU 64 -2.117 -3.935 -2.322 472 HG LEU 64 HG LEU 64 -3.394 -3.315 -4.685 473 1HD1 LEU 64 1HD1 LEU 64 -3.168 -0.895 -2.998 474 2HD1 LEU 64 2HD1 LEU 64 -4.345 -1.305 -4.257 475 3HD1 LEU 64 3HD1 LEU 64 -2.723 -0.761 -4.695 476 1HD2 LEU 64 1HD2 LEU 64 -0.806 -1.971 -4.072 477 2HD2 LEU 64 2HD2 LEU 64 -1.277 -2.932 -5.472 478 3HD2 LEU 64 3HD2 LEU 64 -0.871 -3.729 -3.954 479 H LEU 65 H LEU 65 -2.203 -5.834 -2.340 480 HA LEU 65 HA LEU 65 -2.244 -6.960 -4.915 481 1HB LEU 65 2HB LEU 65 -0.259 -6.892 -3.428 482 2HB LEU 65 1HB LEU 65 -0.994 -8.119 -2.415 483 HG LEU 65 HG LEU 65 -1.047 -9.471 -4.697 484 1HD1 LEU 65 1HD1 LEU 65 1.250 -7.553 -5.060 485 2HD1 LEU 65 2HD1 LEU 65 -0.183 -7.682 -6.080 486 3HD1 LEU 65 3HD1 LEU 65 0.975 -9.009 -6.016 487 1HD2 LEU 65 1HD2 LEU 65 0.932 -9.175 -2.549 488 2HD2 LEU 65 2HD2 LEU 65 1.524 -9.971 -4.007 489 3HD2 LEU 65 3HD2 LEU 65 0.120 -10.617 -3.159 490 H LYS 66 H LYS 66 -3.936 -7.836 -2.021 491 HA LYS 66 HA LYS 66 -4.562 -10.515 -2.812 492 1HB LYS 66 1HB LYS 66 -4.931 -8.890 -0.506 493 2HB LYS 66 2HB LYS 66 -6.507 -9.507 -0.985 494 1HG LYS 66 2HG LYS 66 -5.218 -11.784 -1.147 495 2HG LYS 66 1HG LYS 66 -4.097 -10.977 -0.049 496 1HD LYS 66 1HD LYS 66 -5.486 -11.209 1.680 497 2HD LYS 66 2HD LYS 66 -6.852 -10.586 0.751 498 1HE LYS 66 1HE LYS 66 -5.805 -13.413 0.638 499 2HE LYS 66 2HE LYS 66 -7.227 -12.887 1.542 500 1HZ LYS 66 1HZ LYS 66 -8.416 -13.178 -0.271 501 2HZ LYS 66 2HZ LYS 66 -7.050 -13.628 -1.147 502 H ALA 67 H ALA 67 -6.690 -7.670 -2.431 503 HA ALA 67 HA ALA 67 -8.913 -8.729 -3.741 504 1HB ALA 67 1HB ALA 67 -9.810 -6.585 -3.707 505 2HB ALA 67 2HB ALA 67 -8.233 -5.817 -3.900 506 3HB ALA 67 3HB ALA 67 -8.670 -6.560 -2.361 507 H VAL 68 H VAL 68 -6.216 -6.818 -4.976 508 HA VAL 68 HA VAL 68 -6.890 -6.402 -7.594 509 HB VAL 68 HB VAL 68 -4.341 -6.879 -6.156 510 1HG1 VAL 68 1HG1 VAL 68 -3.329 -6.245 -8.595 511 2HG1 VAL 68 2HG1 VAL 68 -4.615 -7.353 -9.050 512 3HG1 VAL 68 3HG1 VAL 68 -3.354 -7.878 -7.934 513 1HG2 VAL 68 1HG2 VAL 68 -5.556 -4.663 -7.690 514 2HG2 VAL 68 2HG2 VAL 68 -3.821 -4.683 -7.364 515 3HG2 VAL 68 3HG2 VAL 68 -4.968 -4.695 -6.028 516 H SER 69 H SER 69 -5.170 -9.266 -6.340 517 HA SER 69 HA SER 69 -5.528 -10.704 -8.811 518 1HB SER 69 2HB SER 69 -3.494 -11.195 -7.749 519 2HB SER 69 1HB SER 69 -4.249 -11.323 -6.159 520 HG SER 69 HG SER 69 -3.860 -13.235 -8.036 521 H LYS 70 H LYS 70 -6.423 -11.503 -5.448 522 HA LYS 70 HA LYS 70 -8.212 -12.592 -4.567 523 1HB LYS 70 2HB LYS 70 -9.585 -10.907 -5.620 524 2HB LYS 70 1HB LYS 70 -9.493 -11.736 -7.167 525 1HG LYS 70 1HG LYS 70 -10.977 -13.373 -6.537 526 2HG LYS 70 2HG LYS 70 -10.642 -13.161 -4.817 527 1HD LYS 70 2HD LYS 70 -12.538 -11.984 -4.737 528 2HD LYS 70 1HD LYS 70 -11.649 -10.709 -5.575 529 1HE LYS 70 2HE LYS 70 -12.656 -12.764 -7.374 530 2HE LYS 70 1HE LYS 70 -13.936 -11.954 -6.474 531 1HZ LYS 70 1HZ LYS 70 -13.652 -10.687 -8.379 532 2HZ LYS 70 2HZ LYS 70 -11.970 -10.788 -8.333 Start of MODEL 9 1 H VAL 7 H VAL 7 14.593 0.423 -0.505 2 HA VAL 7 HA VAL 7 15.387 2.649 -2.196 3 HB VAL 7 HB VAL 7 14.645 1.002 -4.194 4 1HG1 VAL 7 1HG1 VAL 7 16.542 1.977 -4.826 5 2HG1 VAL 7 2HG1 VAL 7 17.381 0.608 -4.095 6 3HG1 VAL 7 3HG1 VAL 7 17.127 2.085 -3.165 7 1HG2 VAL 7 1HG2 VAL 7 15.148 -1.180 -3.942 8 2HG2 VAL 7 2HG2 VAL 7 14.874 -0.839 -2.233 9 3HG2 VAL 7 3HG2 VAL 7 16.515 -0.852 -2.877 10 H ARG 8 H ARG 8 13.633 2.943 -3.983 11 HA ARG 8 HA ARG 8 10.996 2.029 -3.266 12 1HB ARG 8 2HB ARG 8 10.054 4.208 -2.777 13 2HB ARG 8 1HB ARG 8 11.374 3.883 -1.661 14 1HG ARG 8 1HG ARG 8 12.637 5.192 -3.711 15 2HG ARG 8 2HG ARG 8 11.069 6.000 -3.637 16 1HD ARG 8 2HD ARG 8 12.456 5.489 -1.069 17 2HD ARG 8 1HD ARG 8 13.140 6.726 -2.122 18 1HH1 ARG 8 1HH2 ARG 8 12.118 7.873 -3.637 19 2HH1 ARG 8 2HH2 ARG 8 11.139 9.295 -3.775 20 1HH2 ARG 8 1HH1 ARG 8 9.510 8.823 -0.716 21 2HH2 ARG 8 2HH1 ARG 8 9.656 9.835 -2.114 22 H CYS 9 H CYS 9 9.330 2.943 -4.753 23 HA CYS 9 HA CYS 9 10.418 3.026 -7.427 24 1HB CYS 9 2HB CYS 9 8.049 2.078 -6.309 25 2HB CYS 9 1HB CYS 9 7.560 3.479 -7.246 26 H THR 10 H THR 10 8.409 4.592 -8.675 27 HA THR 10 HA THR 10 8.975 7.283 -7.636 28 HB THR 10 HB THR 10 9.155 7.951 -10.109 29 HG1 THR 10 HG1 THR 10 9.779 6.299 -11.496 30 1HG2 THR 10 1HG2 THR 10 11.247 6.411 -8.645 31 2HG2 THR 10 2HG2 THR 10 11.162 8.138 -8.995 32 3HG2 THR 10 3HG2 THR 10 11.541 6.995 -10.283 33 H CYS 11 H CYS 11 6.785 7.111 -6.796 34 HA CYS 11 HA CYS 11 4.765 7.604 -8.883 35 1HB CYS 11 2HB CYS 11 4.431 6.272 -6.188 36 2HB CYS 11 1HB CYS 11 3.085 6.769 -7.210 37 H ILE 12 H ILE 12 3.925 9.578 -8.881 38 HA ILE 12 HA ILE 12 4.704 11.681 -7.326 39 HB ILE 12 HB ILE 12 1.920 11.407 -8.458 40 1HG1 ILE 12 1HG1 ILE 12 3.413 10.866 -10.242 41 2HG1 ILE 12 2HG1 ILE 12 2.949 12.548 -10.474 42 1HG2 ILE 12 1HG2 ILE 12 2.611 13.348 -6.893 43 2HG2 ILE 12 2HG2 ILE 12 1.771 13.716 -8.399 44 3HG2 ILE 12 3HG2 ILE 12 3.517 13.929 -8.289 45 1HD1 ILE 12 1HD1 ILE 12 5.289 12.314 -10.897 46 2HD1 ILE 12 2HD1 ILE 12 5.540 11.530 -9.339 47 3HD1 ILE 12 3HD1 ILE 12 5.074 13.230 -9.405 48 H SER 13 H SER 13 1.876 9.609 -6.786 49 HA SER 13 HA SER 13 1.968 10.279 -3.947 50 1HB SER 13 1HB SER 13 -0.392 10.790 -3.812 51 2HB SER 13 2HB SER 13 0.328 11.838 -5.034 52 HG SER 13 HG SER 13 -1.616 9.965 -5.296 53 H ILE 14 H ILE 14 0.791 8.755 -2.608 54 HA ILE 14 HA ILE 14 0.281 6.188 -3.965 55 HB ILE 14 HB ILE 14 1.022 5.183 -1.690 56 1HG1 ILE 14 2HG1 ILE 14 2.684 7.703 -1.637 57 2HG1 ILE 14 1HG1 ILE 14 1.213 7.530 -0.685 58 1HG2 ILE 14 1HG2 ILE 14 3.480 5.385 -2.513 59 2HG2 ILE 14 2HG2 ILE 14 2.758 6.224 -3.886 60 3HG2 ILE 14 3HG2 ILE 14 2.286 4.565 -3.518 61 1HD1 ILE 14 1HD1 ILE 14 3.851 6.216 -0.361 62 2HD1 ILE 14 2HD1 ILE 14 2.406 5.330 0.126 63 3HD1 ILE 14 3HD1 ILE 14 2.765 6.897 0.850 64 H SER 15 H SER 15 -1.304 4.827 -3.021 65 HA SER 15 HA SER 15 -3.347 6.324 -1.567 66 1HB SER 15 2HB SER 15 -4.094 5.209 -3.594 67 2HB SER 15 1HB SER 15 -3.474 3.663 -3.009 68 HG SER 15 HG SER 15 -5.859 4.403 -2.712 69 H ASN 16 H ASN 16 -1.297 5.772 0.087 70 HA ASN 16 HA ASN 16 -1.987 3.349 1.568 71 1HB ASN 16 1HB ASN 16 0.077 3.525 2.662 72 2HB ASN 16 2HB ASN 16 0.431 4.091 1.034 73 1HD2 ASN 16 1HD2 ASN 16 0.417 6.443 0.708 74 2HD2 ASN 16 2HD2 ASN 16 0.979 7.453 1.992 75 H GLN 17 H GLN 17 -3.613 5.900 1.382 76 HA GLN 17 HA GLN 17 -3.635 6.774 4.169 77 1HB GLN 17 2HB GLN 17 -4.574 8.723 3.438 78 2HB GLN 17 1HB GLN 17 -3.777 8.242 1.955 79 1HG GLN 17 1HG GLN 17 -5.930 7.211 1.219 80 2HG GLN 17 2HG GLN 17 -6.691 7.958 2.623 81 1HE2 GLN 17 2HE2 GLN 17 -6.391 10.335 2.809 82 2HE2 GLN 17 1HE2 GLN 17 -6.446 11.265 1.354 83 HA PRO 18 HA PRO 18 -7.354 5.039 5.775 84 1HB PRO 18 2HB PRO 18 -8.945 7.335 4.684 85 2HB PRO 18 1HB PRO 18 -9.055 6.545 6.263 86 1HG PRO 18 1HG PRO 18 -7.746 8.844 6.003 87 2HG PRO 18 2HG PRO 18 -7.124 7.561 7.055 88 1HD PRO 18 2HD PRO 18 -6.149 8.488 4.420 89 2HD PRO 18 1HD PRO 18 -5.253 7.730 5.746 90 H VAL 19 H VAL 19 -7.521 6.175 2.448 91 HA VAL 19 HA VAL 19 -9.615 4.213 1.879 92 HB VAL 19 HB VAL 19 -9.188 5.281 -0.549 93 1HG1 VAL 19 1HG2 VAL 19 -11.364 5.288 0.105 94 2HG1 VAL 19 2HG2 VAL 19 -11.016 7.009 0.288 95 3HG1 VAL 19 3HG2 VAL 19 -10.998 5.950 1.700 96 1HG2 VAL 19 1HG1 VAL 19 -8.938 7.728 -0.290 97 2HG2 VAL 19 2HG1 VAL 19 -7.478 6.830 0.126 98 3HG2 VAL 19 3HG1 VAL 19 -8.511 7.477 1.402 99 H ASN 20 H ASN 20 -7.855 2.619 2.462 100 HA ASN 20 HA ASN 20 -5.793 2.067 0.567 101 1HB ASN 20 2HB ASN 20 -6.989 0.665 2.911 102 2HB ASN 20 1HB ASN 20 -6.051 -0.286 1.774 103 1HD2 ASN 20 1HD2 ASN 20 -3.931 0.930 1.122 104 2HD2 ASN 20 2HD2 ASN 20 -3.015 1.543 2.451 105 HA PRO 21 HA PRO 21 -7.322 -0.204 -2.777 106 1HB PRO 21 1HB PRO 21 -6.597 -2.782 -1.486 107 2HB PRO 21 2HB PRO 21 -6.297 -2.207 -3.141 108 1HG PRO 21 2HG PRO 21 -4.432 -2.124 -1.140 109 2HG PRO 21 1HG PRO 21 -4.459 -1.004 -2.509 110 1HD PRO 21 2HD PRO 21 -4.954 -0.479 0.290 111 2HD PRO 21 1HD PRO 21 -4.760 0.666 -1.042 112 H ARG 22 H ARG 22 -8.649 -1.113 0.364 113 HA ARG 22 HA ARG 22 -10.680 -2.873 -0.213 114 1HB ARG 22 2HB ARG 22 -10.740 -0.321 1.398 115 2HB ARG 22 1HB ARG 22 -12.134 -1.386 1.291 116 1HG ARG 22 1HG ARG 22 -9.808 -2.911 1.969 117 2HG ARG 22 2HG ARG 22 -9.974 -1.543 3.070 118 1HD ARG 22 2HD ARG 22 -12.540 -2.430 2.925 119 2HD ARG 22 1HD ARG 22 -11.642 -3.939 2.767 120 1HH1 ARG 22 2HH2 ARG 22 -11.914 -0.595 3.839 121 2HH1 ARG 22 1HH2 ARG 22 -11.800 0.129 5.408 122 1HH2 ARG 22 2HH1 ARG 22 -10.994 -2.855 7.044 123 2HH2 ARG 22 1HH1 ARG 22 -11.276 -1.156 7.232 124 H SER 23 H SER 23 -10.243 0.415 -1.148 125 HA SER 23 HA SER 23 -12.490 0.396 -3.018 126 1HB SER 23 2HB SER 23 -11.708 2.760 -3.444 127 2HB SER 23 1HB SER 23 -12.190 2.484 -1.774 128 HG SER 23 HG SER 23 -10.188 2.756 -1.143 129 H LEU 24 H LEU 24 -11.865 -0.921 -4.721 130 HA LEU 24 HA LEU 24 -9.321 -0.301 -6.056 131 1HB LEU 24 2HB LEU 24 -8.628 -2.111 -4.584 132 2HB LEU 24 1HB LEU 24 -9.921 -3.130 -5.177 133 HG LEU 24 HG LEU 24 -7.927 -2.071 -7.118 134 1HD1 LEU 24 1HD2 LEU 24 -6.186 -3.237 -6.345 135 2HD1 LEU 24 2HD2 LEU 24 -7.184 -4.639 -5.966 136 3HD1 LEU 24 3HD2 LEU 24 -7.060 -3.309 -4.817 137 1HD2 LEU 24 1HD1 LEU 24 -9.632 -4.524 -6.838 138 2HD2 LEU 24 2HD1 LEU 24 -8.310 -4.428 -8.001 139 3HD2 LEU 24 3HD1 LEU 24 -9.660 -3.298 -8.104 140 H GLU 25 H GLU 25 -9.296 -0.726 -8.270 141 HA GLU 25 HA GLU 25 -11.602 -2.079 -9.455 142 1HB GLU 25 1HB GLU 25 -11.923 0.543 -9.041 143 2HB GLU 25 2HB GLU 25 -11.076 0.623 -10.571 144 1HG GLU 25 2HG GLU 25 -13.423 -1.189 -10.283 145 2HG GLU 25 1HG GLU 25 -13.668 0.542 -10.516 146 H LYS 26 H LYS 26 -9.248 0.276 -10.709 147 HA LYS 26 HA LYS 26 -8.403 -1.744 -12.665 148 1HB LYS 26 2HB LYS 26 -7.647 1.133 -12.933 149 2HB LYS 26 1HB LYS 26 -7.881 -0.080 -14.182 150 1HG LYS 26 2HG LYS 26 -10.207 0.889 -12.574 151 2HG LYS 26 1HG LYS 26 -9.595 1.832 -13.934 152 1HD LYS 26 2HD LYS 26 -10.257 -1.082 -14.213 153 2HD LYS 26 1HD LYS 26 -11.490 0.168 -14.390 154 1HE LYS 26 2HE LYS 26 -10.146 1.220 -16.158 155 2HE LYS 26 1HE LYS 26 -8.951 -0.066 -16.000 156 1HZ LYS 26 1HZ LYS 26 -11.611 -0.132 -17.192 157 2HZ LYS 26 2HZ LYS 26 -11.097 -1.523 -16.391 158 1HN MLE 27 1HM LEM 27 -6.435 -3.950 -10.832 159 2HN MLE 27 2HM LEM 27 -7.433 -3.244 -12.098 160 3HN MLE 27 3HM LEM 27 -7.955 -3.165 -10.416 161 HA MLE 27 HA LEM 27 -4.813 -0.996 -10.158 162 1HB MLE 27 1HB LEM 27 -5.339 -3.532 -8.781 163 2HB MLE 27 2HB LEM 27 -6.502 -2.275 -8.536 164 HG MLE 27 HG LEM 27 -4.319 -2.744 -7.012 165 1HD1 MLE 27 1HD1 LEM 27 -3.550 -0.464 -8.792 166 2HD1 MLE 27 2HD1 LEM 27 -2.779 -2.047 -8.757 167 3HD1 MLE 27 3HD1 LEM 27 -2.711 -1.004 -7.341 168 1HD2 MLE 27 1HD2 LEM 27 -5.679 -1.421 -5.888 169 2HD2 MLE 27 2HD2 LEM 27 -6.269 -0.621 -7.353 170 3HD2 MLE 27 3HD2 LEM 27 -4.770 -0.085 -6.589 171 H GLU 28 H GLU 28 -3.382 -1.331 -11.824 172 HA GLU 28 HA GLU 28 -2.742 -4.046 -12.636 173 1HB GLU 28 2HB GLU 28 -2.900 -2.165 -14.291 174 2HB GLU 28 1HB GLU 28 -1.483 -1.449 -13.539 175 1HG GLU 28 1HG GLU 28 -1.144 -2.786 -15.651 176 2HG GLU 28 2HG GLU 28 -0.087 -3.157 -14.290 177 H ILE 29 H ILE 29 -1.697 -5.023 -10.994 178 HA ILE 29 HA ILE 29 0.454 -3.649 -9.621 179 HB ILE 29 HB ILE 29 0.466 -5.484 -8.073 180 1HG1 ILE 29 1HG1 ILE 29 -1.401 -7.284 -8.500 181 2HG1 ILE 29 2HG1 ILE 29 -1.192 -6.818 -10.185 182 1HG2 ILE 29 1HG2 ILE 29 -1.257 -3.758 -7.825 183 2HG2 ILE 29 2HG2 ILE 29 -1.799 -5.322 -7.214 184 3HG2 ILE 29 3HG2 ILE 29 -2.368 -4.739 -8.778 185 1HD1 ILE 29 1HD1 ILE 29 0.591 -8.106 -10.350 186 2HD1 ILE 29 2HD1 ILE 29 0.321 -8.646 -8.692 187 3HD1 ILE 29 3HD1 ILE 29 1.370 -7.261 -9.011 188 H ILE 30 H ILE 30 2.544 -4.089 -9.740 189 HA ILE 30 HA ILE 30 3.432 -6.328 -11.424 190 HB ILE 30 HB ILE 30 5.321 -4.118 -11.452 191 1HG1 ILE 30 1HG1 ILE 30 2.734 -3.636 -12.942 192 2HG1 ILE 30 2HG1 ILE 30 3.119 -2.851 -11.414 193 1HG2 ILE 30 1HG2 ILE 30 4.487 -6.285 -13.066 194 2HG2 ILE 30 2HG2 ILE 30 5.887 -5.235 -13.279 195 3HG2 ILE 30 3HG2 ILE 30 4.348 -4.815 -14.029 196 1HD1 ILE 30 1HD1 ILE 30 4.009 -2.235 -14.101 197 2HD1 ILE 30 2HD1 ILE 30 5.344 -2.362 -12.954 198 3HD1 ILE 30 3HD1 ILE 30 4.019 -1.240 -12.644 199 HA PRO 31 HA PRO 31 6.074 -7.114 -7.992 200 1HB PRO 31 2HB PRO 31 7.943 -8.687 -9.100 201 2HB PRO 31 1HB PRO 31 6.250 -9.184 -9.004 202 1HG PRO 31 1HG PRO 31 7.817 -8.247 -11.339 203 2HG PRO 31 2HG PRO 31 6.438 -9.356 -11.280 204 1HD PRO 31 1HD PRO 31 6.405 -6.597 -11.945 205 2HD PRO 31 2HD PRO 31 5.004 -7.664 -11.728 206 H ALA 32 H ALA 32 6.852 -4.957 -7.579 207 HA ALA 32 HA ALA 32 9.283 -4.068 -8.848 208 1HB ALA 32 1HB ALA 32 8.980 -2.070 -7.790 209 2HB ALA 32 2HB ALA 32 8.352 -2.814 -6.320 210 3HB ALA 32 3HB ALA 32 7.318 -2.666 -7.741 211 H SER 33 H SER 33 11.324 -4.003 -7.949 212 HA SER 33 HA SER 33 11.796 -4.954 -5.270 213 1HB SER 33 2HB SER 33 11.774 -6.843 -7.370 214 2HB SER 33 1HB SER 33 13.468 -6.583 -6.950 215 HG SER 33 HG SER 33 12.310 -8.231 -5.706 216 H GLN 34 H GLN 34 13.697 -4.906 -8.278 217 HA GLN 34 HA GLN 34 16.091 -4.071 -7.322 218 1HB GLN 34 2HB GLN 34 15.885 -4.652 -9.623 219 2HB GLN 34 1HB GLN 34 14.726 -3.364 -9.916 220 1HG GLN 34 1HG GLN 34 16.341 -1.729 -9.970 221 2HG GLN 34 2HG GLN 34 17.476 -2.672 -9.003 222 1HE2 GLN 34 2HE2 GLN 34 15.969 -2.424 -12.171 223 2HE2 GLN 34 1HE2 GLN 34 17.239 -3.207 -13.041 224 H PHE 35 H PHE 35 14.150 -1.658 -9.031 225 HA PHE 35 HA PHE 35 15.372 0.467 -7.542 226 1HB PHE 35 1HB PHE 35 14.230 0.223 -10.046 227 2HB PHE 35 2HB PHE 35 13.038 1.171 -9.165 228 HD1 PHE 35 HD1 PHE 35 13.757 3.320 -8.084 229 HD2 PHE 35 HD2 PHE 35 16.237 1.171 -10.794 230 HE1 PHE 35 HE1 PHE 35 15.114 5.341 -8.438 231 HE2 PHE 35 HE2 PHE 35 17.598 3.189 -11.154 232 HZ PHE 35 HZ PHE 35 17.037 5.277 -9.974 233 H CYS 36 H CYS 36 12.376 -1.276 -7.401 234 HA CYS 36 HA CYS 36 11.563 0.370 -5.105 235 1HB CYS 36 2HB CYS 36 9.240 -0.638 -6.498 236 2HB CYS 36 1HB CYS 36 9.630 1.009 -6.050 237 HA PRO 37 HA PRO 37 11.335 -3.945 -3.689 238 1HB PRO 37 1HB PRO 37 11.559 -3.460 -1.078 239 2HB PRO 37 2HB PRO 37 12.954 -3.228 -2.147 240 1HG PRO 37 1HG PRO 37 10.951 -1.180 -1.210 241 2HG PRO 37 2HG PRO 37 12.721 -1.119 -1.063 242 1HD PRO 37 2HD PRO 37 11.436 0.123 -3.063 243 2HD PRO 37 1HD PRO 37 12.998 -0.681 -3.338 244 H ARG 38 H ARG 38 8.978 -3.293 -4.565 245 HA ARG 38 HA ARG 38 7.137 -4.082 -2.544 246 1HB ARG 38 1HB ARG 38 7.591 -1.316 -2.728 247 2HB ARG 38 2HB ARG 38 6.056 -1.592 -3.538 248 1HG ARG 38 1HG ARG 38 5.217 -1.385 -1.472 249 2HG ARG 38 2HG ARG 38 5.701 -3.074 -1.316 250 1HD ARG 38 1HD ARG 38 6.404 -1.545 0.564 251 2HD ARG 38 2HD ARG 38 7.685 -2.505 -0.173 252 1HH1 ARG 38 2HH2 ARG 38 8.265 -1.264 1.711 253 2HH1 ARG 38 1HH2 ARG 38 9.372 0.008 2.106 254 1HH2 ARG 38 2HH1 ARG 38 9.078 1.615 -0.986 255 2HH2 ARG 38 1HH1 ARG 38 9.835 1.646 0.571 256 H VAL 39 H VAL 39 4.783 -3.049 -3.744 257 HA VAL 39 HA VAL 39 4.765 -4.591 -6.228 258 HB VAL 39 HB VAL 39 2.260 -3.378 -5.136 259 1HG1 VAL 39 1HG1 VAL 39 2.654 -4.774 -7.319 260 2HG1 VAL 39 2HG1 VAL 39 1.206 -5.011 -6.341 261 3HG1 VAL 39 3HG1 VAL 39 2.555 -6.140 -6.208 262 1HG2 VAL 39 1HG2 VAL 39 3.603 -4.561 -3.261 263 2HG2 VAL 39 2HG2 VAL 39 3.205 -6.043 -4.127 264 3HG2 VAL 39 3HG2 VAL 39 1.918 -5.012 -3.507 265 H GLU 40 H GLU 40 4.669 -3.597 -8.182 266 HA GLU 40 HA GLU 40 4.625 -0.685 -8.196 267 1HB GLU 40 1HB GLU 40 5.539 -2.804 -10.042 268 2HB GLU 40 2HB GLU 40 4.811 -1.407 -10.825 269 1HG GLU 40 1HG GLU 40 6.460 0.028 -10.112 270 2HG GLU 40 2HG GLU 40 6.910 -0.998 -8.751 271 H ILE 41 H ILE 41 2.931 0.530 -8.955 272 HA ILE 41 HA ILE 41 0.672 -0.966 -10.056 273 HB ILE 41 HB ILE 41 0.850 0.356 -7.394 274 1HG1 ILE 41 2HG1 ILE 41 -0.882 -1.600 -7.053 275 2HG1 ILE 41 1HG1 ILE 41 -0.205 -2.172 -8.573 276 1HG2 ILE 41 1HG2 ILE 41 -1.617 0.521 -7.234 277 2HG2 ILE 41 2HG2 ILE 41 -1.713 0.242 -8.975 278 3HG2 ILE 41 3HG2 ILE 41 -0.915 1.677 -8.357 279 1HD1 ILE 41 1HD1 ILE 41 1.975 -1.483 -6.971 280 2HD1 ILE 41 2HD1 ILE 41 1.433 -3.098 -7.426 281 3HD1 ILE 41 3HD1 ILE 41 0.856 -2.360 -5.933 282 H ILE 42 H ILE 42 -0.878 0.049 -11.033 283 HA ILE 42 HA ILE 42 -0.915 2.961 -11.206 284 HB ILE 42 HB ILE 42 -1.608 1.229 -13.578 285 1HG1 ILE 42 2HG1 ILE 42 0.572 3.012 -14.099 286 2HG1 ILE 42 1HG1 ILE 42 0.975 2.033 -12.691 287 1HG2 ILE 42 1HG2 ILE 42 -2.809 3.074 -14.009 288 2HG2 ILE 42 2HG2 ILE 42 -1.255 3.786 -14.450 289 3HG2 ILE 42 3HG2 ILE 42 -1.918 4.043 -12.833 290 1HD1 ILE 42 1HD1 ILE 42 -0.165 0.564 -14.963 291 2HD1 ILE 42 2HD1 ILE 42 1.178 0.154 -13.895 292 3HD1 ILE 42 3HD1 ILE 42 1.425 1.282 -15.228 293 H ALA 43 H ALA 43 -2.370 2.649 -9.496 294 HA ALA 43 HA ALA 43 -4.570 0.839 -9.761 295 1HB ALA 43 1HB ALA 43 -3.795 2.795 -7.604 296 2HB ALA 43 2HB ALA 43 -3.434 1.069 -7.658 297 3HB ALA 43 3HB ALA 43 -5.100 1.613 -7.472 298 H THR 44 H THR 44 -6.690 1.270 -9.436 299 HA THR 44 HA THR 44 -7.730 3.951 -9.518 300 HB THR 44 HB THR 44 -8.734 1.944 -11.535 301 HG1 THR 44 HG1 THR 44 -6.698 2.662 -12.192 302 1HG2 THR 44 1HG2 THR 44 -9.241 4.793 -11.906 303 2HG2 THR 44 2HG2 THR 44 -10.039 4.071 -10.504 304 3HG2 THR 44 3HG2 THR 44 -10.309 3.405 -12.120 305 H MET 45 H MET 45 -9.148 3.964 -7.897 306 HA MET 45 HA MET 45 -9.918 1.437 -6.783 307 1HB MET 45 2HB MET 45 -10.786 4.100 -5.725 308 2HB MET 45 1HB MET 45 -10.481 2.610 -4.849 309 1HG MET 45 1HG MET 45 -8.534 4.595 -5.910 310 2HG MET 45 2HG MET 45 -8.707 3.953 -4.279 311 1HE MET 45 1HE MET 45 -6.452 4.550 -6.262 312 2HE MET 45 2HE MET 45 -6.105 3.294 -7.449 313 3HE MET 45 3HE MET 45 -5.250 3.310 -5.908 314 H LYS 46 H LYS 46 -11.848 0.611 -6.451 315 HA LYS 46 HA LYS 46 -14.159 1.819 -7.786 316 1HB LYS 46 1HB LYS 46 -13.346 -0.646 -8.303 317 2HB LYS 46 2HB LYS 46 -14.165 -1.006 -6.794 318 1HG LYS 46 2HG LYS 46 -15.878 0.606 -8.398 319 2HG LYS 46 1HG LYS 46 -15.274 -0.735 -9.375 320 1HD LYS 46 1HD LYS 46 -16.699 -2.111 -8.372 321 2HD LYS 46 2HD LYS 46 -15.955 -1.754 -6.812 322 1HE LYS 46 1HE LYS 46 -18.253 -1.242 -6.591 323 2HE LYS 46 2HE LYS 46 -17.408 0.300 -6.719 324 1HZ LYS 46 1HZ LYS 46 -19.323 0.386 -8.086 325 2HZ LYS 46 2HZ LYS 46 -18.961 -1.086 -8.824 326 H LYS 47 H LYS 47 -15.103 3.017 -6.363 327 HA LYS 47 HA LYS 47 -16.428 2.358 -4.083 328 1HB LYS 47 1HB LYS 47 -13.550 2.483 -3.660 329 2HB LYS 47 2HB LYS 47 -14.456 3.530 -2.592 330 1HG LYS 47 2HG LYS 47 -15.107 0.625 -2.904 331 2HG LYS 47 1HG LYS 47 -13.941 1.230 -1.726 332 1HD LYS 47 1HD LYS 47 -16.809 2.144 -1.909 333 2HD LYS 47 2HD LYS 47 -16.230 0.894 -0.805 334 1HE LYS 47 1HE LYS 47 -14.502 2.779 -0.142 335 2HE LYS 47 2HE LYS 47 -15.772 3.833 -0.764 336 1HZ LYS 47 1HZ LYS 47 -17.223 2.277 0.769 337 2HZ LYS 47 2HZ LYS 47 -15.764 2.122 1.596 338 H LYS 48 H LYS 48 -14.209 4.559 -5.591 339 HA LYS 48 HA LYS 48 -16.095 6.724 -5.449 340 1HB LYS 48 1HB LYS 48 -14.867 6.663 -3.245 341 2HB LYS 48 2HB LYS 48 -13.400 7.058 -4.137 342 1HG LYS 48 1HG LYS 48 -14.516 9.117 -4.954 343 2HG LYS 48 2HG LYS 48 -15.877 8.748 -3.893 344 1HD LYS 48 1HD LYS 48 -13.687 8.541 -2.227 345 2HD LYS 48 2HD LYS 48 -13.282 9.908 -3.269 346 1HE LYS 48 1HE LYS 48 -15.237 11.083 -2.650 347 2HE LYS 48 2HE LYS 48 -15.941 9.657 -1.889 348 1HZ LYS 48 1HZ LYS 48 -14.429 9.783 -0.121 349 2HZ LYS 48 2HZ LYS 48 -13.438 10.889 -0.916 350 H GLY 49 H GLY 49 -14.511 5.090 -7.422 351 1HA GLY 49 2HA GLY 49 -13.201 5.374 -9.302 352 2HA GLY 49 1HA GLY 49 -14.153 6.841 -9.457 353 H GLU 50 H GLU 50 -11.274 5.584 -7.778 354 HA GLU 50 HA GLU 50 -10.039 8.230 -8.202 355 1HB GLU 50 1HB GLU 50 -10.632 7.144 -5.771 356 2HB GLU 50 2HB GLU 50 -8.974 6.603 -5.992 357 1HG GLU 50 1HG GLU 50 -8.554 8.578 -4.987 358 2HG GLU 50 2HG GLU 50 -8.637 9.151 -6.652 359 H LYS 51 H LYS 51 -8.478 8.125 -9.666 360 HA LYS 51 HA LYS 51 -6.972 5.644 -10.040 361 1HB LYS 51 1HB LYS 51 -6.586 8.134 -11.672 362 2HB LYS 51 2HB LYS 51 -6.335 6.458 -12.139 363 1HG LYS 51 2HG LYS 51 -8.336 6.458 -13.076 364 2HG LYS 51 1HG LYS 51 -9.058 6.697 -11.485 365 1HD LYS 51 1HD LYS 51 -9.893 8.538 -12.537 366 2HD LYS 51 2HD LYS 51 -8.365 9.212 -11.965 367 1HE LYS 51 1HE LYS 51 -8.821 8.029 -14.701 368 2HE LYS 51 2HE LYS 51 -8.833 9.753 -14.330 369 1HZ LYS 51 1HZ LYS 51 -6.681 9.670 -14.794 370 2HZ LYS 51 2HZ LYS 51 -6.620 7.988 -14.725 371 H ARG 52 H ARG 52 -5.010 5.367 -9.187 372 HA ARG 52 HA ARG 52 -3.279 7.661 -8.704 373 1HB ARG 52 1HB ARG 52 -4.825 7.155 -6.688 374 2HB ARG 52 2HB ARG 52 -3.818 5.728 -6.461 375 1HG ARG 52 1HG ARG 52 -2.117 6.916 -5.616 376 2HG ARG 52 2HG ARG 52 -2.324 8.231 -6.778 377 1HD ARG 52 2HD ARG 52 -2.760 8.719 -4.292 378 2HD ARG 52 1HD ARG 52 -3.935 9.292 -5.477 379 1HH1 ARG 52 2HH1 ARG 52 -4.110 9.823 -3.095 380 2HH1 ARG 52 1HH1 ARG 52 -5.284 9.583 -1.845 381 1HH2 ARG 52 1HH2 ARG 52 -6.377 6.493 -3.063 382 2HH2 ARG 52 2HH2 ARG 52 -6.573 7.689 -1.826 383 H CYS 53 H CYS 53 -1.107 7.063 -8.064 384 HA CYS 53 HA CYS 53 -0.283 4.466 -9.156 385 1HB CYS 53 2HB CYS 53 0.855 6.587 -9.941 386 2HB CYS 53 1HB CYS 53 1.487 6.772 -8.310 387 H LEU 54 H LEU 54 0.439 2.882 -7.773 388 HA LEU 54 HA LEU 54 0.690 3.670 -4.948 389 1HB LEU 54 2HB LEU 54 -0.462 1.030 -5.757 390 2HB LEU 54 1HB LEU 54 -0.619 1.877 -4.233 391 HG LEU 54 HG LEU 54 -2.057 2.410 -6.819 392 1HD1 LEU 54 1HD1 LEU 54 -2.707 1.347 -4.160 393 2HD1 LEU 54 2HD1 LEU 54 -3.473 1.056 -5.720 394 3HD1 LEU 54 3HD1 LEU 54 -3.865 2.510 -4.804 395 1HD2 LEU 54 1HD2 LEU 54 -1.187 4.358 -4.895 396 2HD2 LEU 54 2HD2 LEU 54 -2.947 4.247 -4.913 397 3HD2 LEU 54 3HD2 LEU 54 -2.072 4.588 -6.403 398 H ASN 55 H ASN 55 1.767 2.162 -3.558 399 HA ASN 55 HA ASN 55 3.546 0.219 -4.746 400 1HB ASN 55 1HB ASN 55 4.863 2.282 -4.939 401 2HB ASN 55 2HB ASN 55 4.625 2.601 -3.223 402 1HD2 ASN 55 1HD2 ASN 55 6.160 0.501 -5.557 403 2HD2 ASN 55 2HD2 ASN 55 7.351 -0.140 -4.483 404 HA PRO 56 HA PRO 56 1.101 -1.023 -0.924 405 1HB PRO 56 1HB PRO 56 2.648 -3.303 -2.153 406 2HB PRO 56 2HB PRO 56 1.149 -3.389 -1.220 407 1HG PRO 56 1HG PRO 56 1.012 -3.296 -3.857 408 2HG PRO 56 2HG PRO 56 -0.094 -2.312 -2.886 409 1HD PRO 56 2HD PRO 56 2.185 -1.434 -4.551 410 2HD PRO 56 1HD PRO 56 0.785 -0.510 -3.973 411 H GLU 57 H GLU 57 2.493 0.341 0.320 412 HA GLU 57 HA GLU 57 4.666 -1.147 1.634 413 1HB GLU 57 2HB GLU 57 5.408 1.158 2.423 414 2HB GLU 57 1HB GLU 57 5.629 0.808 0.715 415 1HG GLU 57 1HG GLU 57 4.460 2.602 0.178 416 2HG GLU 57 2HG GLU 57 3.059 1.976 1.050 417 H SER 58 H SER 58 1.596 0.368 2.020 418 HA SER 58 HA SER 58 1.710 0.704 4.861 419 1HB SER 58 1HB SER 58 0.073 1.576 2.759 420 2HB SER 58 2HB SER 58 -0.972 0.586 3.767 421 HG SER 58 HG SER 58 -0.740 2.912 4.324 422 H LYS 59 H LYS 59 -0.768 -0.187 5.680 423 HA LYS 59 HA LYS 59 -0.280 -3.025 6.033 424 1HB LYS 59 1HB LYS 59 -2.119 -1.047 7.299 425 2HB LYS 59 2HB LYS 59 -2.339 -2.771 7.525 426 1HG LYS 59 2HG LYS 59 -0.225 -2.997 8.576 427 2HG LYS 59 1HG LYS 59 0.231 -1.351 8.137 428 1HD LYS 59 1HD LYS 59 -1.849 -0.663 9.516 429 2HD LYS 59 2HD LYS 59 -1.721 -2.282 10.208 430 1HE LYS 59 2HE LYS 59 0.156 -1.788 11.362 431 2HE LYS 59 1HE LYS 59 0.783 -0.733 10.095 432 1HZ LYS 59 1HZ LYS 59 -1.358 0.627 10.998 433 2HZ LYS 59 2HZ LYS 59 -0.795 -0.091 12.414 434 H ALA 60 H ALA 60 -3.397 -1.360 5.636 435 HA ALA 60 HA ALA 60 -4.739 -3.456 4.387 436 1HB ALA 60 1HB ALA 60 -6.210 -1.848 5.038 437 2HB ALA 60 2HB ALA 60 -6.068 -1.424 3.333 438 3HB ALA 60 3HB ALA 60 -5.155 -0.526 4.542 439 H ILE 61 H ILE 61 -2.372 -1.275 3.179 440 HA ILE 61 HA ILE 61 -2.725 -1.247 0.466 441 HB ILE 61 HB ILE 61 -0.726 -0.653 2.327 442 1HG1 ILE 61 1HG1 ILE 61 -1.148 0.972 0.762 443 2HG1 ILE 61 2HG1 ILE 61 0.420 0.376 0.238 444 1HG2 ILE 61 1HG2 ILE 61 1.356 -1.433 1.387 445 2HG2 ILE 61 2HG2 ILE 61 0.476 -2.418 0.232 446 3HG2 ILE 61 3HG2 ILE 61 0.370 -2.769 1.952 447 1HD1 ILE 61 1HD1 ILE 61 -2.196 0.218 -1.071 448 2HD1 ILE 61 2HD1 ILE 61 -1.170 -1.210 -1.212 449 3HD1 ILE 61 3HD1 ILE 61 -0.578 0.356 -1.763 450 H LYS 62 H LYS 62 -1.525 -3.795 2.568 451 HA LYS 62 HA LYS 62 -0.606 -5.652 0.680 452 1HB LYS 62 1HB LYS 62 -1.127 -5.625 3.469 453 2HB LYS 62 2HB LYS 62 -1.985 -7.007 2.806 454 1HG LYS 62 2HG LYS 62 -0.058 -8.097 3.003 455 2HG LYS 62 1HG LYS 62 0.465 -7.183 1.588 456 1HD LYS 62 1HD LYS 62 2.160 -6.574 2.953 457 2HD LYS 62 2HD LYS 62 0.987 -5.385 3.522 458 1HE LYS 62 2HE LYS 62 1.533 -8.081 4.758 459 2HE LYS 62 1HE LYS 62 2.054 -6.521 5.394 460 1HZ LYS 62 1HZ LYS 62 -0.006 -7.534 6.396 461 2HZ LYS 62 2HZ LYS 62 -0.790 -7.185 4.947 462 H ASN 63 H ASN 63 -3.794 -4.781 1.787 463 HA ASN 63 HA ASN 63 -5.296 -6.832 0.589 464 1HB ASN 63 1HB ASN 63 -6.074 -4.962 2.213 465 2HB ASN 63 2HB ASN 63 -6.252 -3.982 0.761 466 1HD2 ASN 63 2HD2 ASN 63 -8.370 -4.617 2.437 467 2HD2 ASN 63 1HD2 ASN 63 -9.469 -5.639 1.581 468 H LEU 64 H LEU 64 -3.806 -3.878 -0.624 469 HA LEU 64 HA LEU 64 -4.946 -3.595 -3.122 470 1HB LEU 64 2HB LEU 64 -2.958 -2.214 -2.343 471 2HB LEU 64 1HB LEU 64 -1.946 -3.575 -2.724 472 HG LEU 64 HG LEU 64 -3.426 -3.149 -5.056 473 1HD1 LEU 64 1HD1 LEU 64 -2.859 -0.588 -3.675 474 2HD1 LEU 64 2HD1 LEU 64 -4.229 -1.070 -4.682 475 3HD1 LEU 64 3HD1 LEU 64 -2.676 -0.689 -5.428 476 1HD2 LEU 64 1HD2 LEU 64 -0.822 -3.582 -4.402 477 2HD2 LEU 64 2HD2 LEU 64 -0.745 -1.900 -4.920 478 3HD2 LEU 64 3HD2 LEU 64 -1.377 -3.132 -6.009 479 H LEU 65 H LEU 65 -2.005 -5.448 -2.566 480 HA LEU 65 HA LEU 65 -2.179 -6.831 -5.008 481 1HB LEU 65 2HB LEU 65 -0.202 -6.525 -3.309 482 2HB LEU 65 1HB LEU 65 -0.792 -8.034 -2.640 483 HG LEU 65 HG LEU 65 -0.464 -9.129 -4.819 484 1HD1 LEU 65 1HD1 LEU 65 -0.004 -6.361 -5.653 485 2HD1 LEU 65 2HD1 LEU 65 -0.533 -7.759 -6.591 486 3HD1 LEU 65 3HD1 LEU 65 1.182 -7.514 -6.264 487 1HD2 LEU 65 1HD2 LEU 65 2.193 -8.228 -4.727 488 2HD2 LEU 65 2HD2 LEU 65 1.506 -9.651 -3.945 489 3HD2 LEU 65 3HD2 LEU 65 1.573 -8.116 -3.080 490 H LYS 66 H LYS 66 -3.811 -7.376 -2.033 491 HA LYS 66 HA LYS 66 -4.320 -10.170 -2.495 492 1HB LYS 66 1HB LYS 66 -4.542 -8.436 -0.312 493 2HB LYS 66 2HB LYS 66 -6.192 -8.912 -0.687 494 1HG LYS 66 1HG LYS 66 -5.757 -11.171 -0.306 495 2HG LYS 66 2HG LYS 66 -4.010 -10.948 -0.431 496 1HD LYS 66 2HD LYS 66 -4.979 -9.284 1.664 497 2HD LYS 66 1HD LYS 66 -5.632 -10.907 1.895 498 1HE LYS 66 1HE LYS 66 -2.749 -10.621 1.219 499 2HE LYS 66 2HE LYS 66 -3.271 -10.219 2.854 500 1HZ LYS 66 1HZ LYS 66 -3.107 -12.371 3.267 501 2HZ LYS 66 2HZ LYS 66 -2.940 -12.769 1.640 502 H ALA 67 H ALA 67 -6.507 -7.355 -2.310 503 HA ALA 67 HA ALA 67 -8.747 -8.618 -3.426 504 1HB ALA 67 1HB ALA 67 -8.172 -5.701 -3.817 505 2HB ALA 67 2HB ALA 67 -8.587 -6.349 -2.230 506 3HB ALA 67 3HB ALA 67 -9.725 -6.501 -3.570 507 H VAL 68 H VAL 68 -6.110 -6.805 -4.867 508 HA VAL 68 HA VAL 68 -6.880 -6.615 -7.503 509 HB VAL 68 HB VAL 68 -4.302 -6.822 -6.068 510 1HG1 VAL 68 1HG1 VAL 68 -4.556 -7.560 -8.917 511 2HG1 VAL 68 2HG1 VAL 68 -3.326 -8.012 -7.738 512 3HG1 VAL 68 3HG1 VAL 68 -3.266 -6.430 -8.512 513 1HG2 VAL 68 1HG2 VAL 68 -5.839 -4.835 -7.472 514 2HG2 VAL 68 2HG2 VAL 68 -4.118 -4.777 -7.846 515 3HG2 VAL 68 3HG2 VAL 68 -4.658 -4.652 -6.177 516 H SER 69 H SER 69 -4.909 -9.213 -6.076 517 HA SER 69 HA SER 69 -5.229 -10.898 -8.379 518 1HB SER 69 2HB SER 69 -3.124 -11.019 -7.266 519 2HB SER 69 1HB SER 69 -3.891 -11.267 -5.697 520 HG SER 69 HG SER 69 -3.487 -13.069 -7.793 521 H LYS 70 H LYS 70 -5.708 -11.842 -4.992 522 HA LYS 70 HA LYS 70 -7.402 -12.953 -3.942 523 1HB LYS 70 1HB LYS 70 -8.768 -11.313 -5.587 524 2HB LYS 70 2HB LYS 70 -9.255 -12.864 -6.256 525 1HG LYS 70 1HG LYS 70 -9.548 -12.036 -3.375 526 2HG LYS 70 2HG LYS 70 -10.836 -12.048 -4.583 527 1HD LYS 70 2HD LYS 70 -10.714 -14.422 -4.800 528 2HD LYS 70 1HD LYS 70 -9.249 -14.491 -3.817 529 1HE LYS 70 1HE LYS 70 -10.881 -13.281 -2.076 530 2HE LYS 70 2HE LYS 70 -12.076 -14.190 -3.001 531 1HZ LYS 70 1HZ LYS 70 -11.475 -15.638 -1.334 532 2HZ LYS 70 2HZ LYS 70 -9.852 -15.190 -1.361 Start of MODEL 10 1 H VAL 7 H VAL 7 16.101 4.073 -1.620 2 HA VAL 7 HA VAL 7 14.896 3.265 -4.042 3 HB VAL 7 HB VAL 7 14.576 1.968 -2.018 4 1HG1 VAL 7 1HG2 VAL 7 14.576 3.514 -0.268 5 2HG1 VAL 7 2HG2 VAL 7 13.301 4.486 -1.003 6 3HG1 VAL 7 3HG2 VAL 7 12.918 2.913 -0.304 7 1HG2 VAL 7 1HG1 VAL 7 12.419 1.324 -2.441 8 2HG2 VAL 7 2HG1 VAL 7 11.828 2.981 -2.547 9 3HG2 VAL 7 3HG1 VAL 7 12.742 2.284 -3.883 10 H ARG 8 H ARG 8 13.204 4.057 -5.198 11 HA ARG 8 HA ARG 8 11.521 6.150 -4.208 12 1HB ARG 8 1HB ARG 8 13.912 6.953 -5.431 13 2HB ARG 8 2HB ARG 8 12.676 7.160 -6.664 14 1HG ARG 8 1HG ARG 8 11.358 8.505 -5.076 15 2HG ARG 8 2HG ARG 8 12.663 8.343 -3.898 16 1HD ARG 8 1HD ARG 8 13.768 10.029 -4.820 17 2HD ARG 8 2HD ARG 8 13.736 9.234 -6.394 18 1HH1 ARG 8 1HH2 ARG 8 14.520 11.503 -6.164 19 2HH1 ARG 8 2HH2 ARG 8 14.090 13.052 -6.806 20 1HH2 ARG 8 2HH1 ARG 8 10.660 12.377 -6.912 21 2HH2 ARG 8 1HH1 ARG 8 11.894 13.550 -7.233 22 H CYS 9 H CYS 9 9.634 5.358 -4.878 23 HA CYS 9 HA CYS 9 9.448 3.756 -7.247 24 1HB CYS 9 2HB CYS 9 7.078 4.810 -5.733 25 2HB CYS 9 1HB CYS 9 7.243 3.303 -6.631 26 H THR 10 H THR 10 6.861 4.539 -8.135 27 HA THR 10 HA THR 10 7.330 7.204 -9.254 28 HB THR 10 HB THR 10 6.723 6.279 -11.479 29 HG1 THR 10 HG1 THR 10 6.281 4.234 -11.737 30 1HG2 THR 10 1HG2 THR 10 8.853 4.712 -11.617 31 2HG2 THR 10 2HG2 THR 10 8.977 6.468 -11.506 32 3HG2 THR 10 3HG2 THR 10 9.184 5.475 -10.061 33 H CYS 11 H CYS 11 5.604 7.640 -7.632 34 HA CYS 11 HA CYS 11 2.999 7.439 -8.913 35 1HB CYS 11 2HB CYS 11 3.258 6.646 -6.017 36 2HB CYS 11 1HB CYS 11 1.872 6.449 -7.084 37 H ILE 12 H ILE 12 1.460 8.360 -6.779 38 HA ILE 12 HA ILE 12 2.565 11.064 -6.418 39 HB ILE 12 HB ILE 12 -0.341 10.249 -6.387 40 1HG1 ILE 12 2HG1 ILE 12 0.386 12.016 -8.533 41 2HG1 ILE 12 1HG1 ILE 12 1.414 10.586 -8.582 42 1HG2 ILE 12 1HG2 ILE 12 0.435 12.284 -5.056 43 2HG2 ILE 12 2HG2 ILE 12 0.765 13.028 -6.620 44 3HG2 ILE 12 3HG2 ILE 12 -0.875 12.522 -6.212 45 1HD1 ILE 12 1HD1 ILE 12 -1.561 10.363 -8.340 46 2HD1 ILE 12 2HD1 ILE 12 -0.761 10.539 -9.903 47 3HD1 ILE 12 3HD1 ILE 12 -0.396 9.151 -8.875 48 H SER 13 H SER 13 -0.033 9.250 -4.772 49 HA SER 13 HA SER 13 0.744 10.323 -2.227 50 1HB SER 13 2HB SER 13 -1.102 8.965 -1.326 51 2HB SER 13 1HB SER 13 -1.621 9.885 -2.740 52 HG SER 13 HG SER 13 -2.272 7.633 -2.711 53 H ILE 14 H ILE 14 -0.007 6.891 -2.559 54 HA ILE 14 HA ILE 14 2.727 6.140 -2.112 55 HB ILE 14 HB ILE 14 1.207 4.724 -0.128 56 1HG1 ILE 14 2HG1 ILE 14 0.163 7.092 -0.044 57 2HG1 ILE 14 1HG1 ILE 14 0.775 6.421 1.462 58 1HG2 ILE 14 1HG2 ILE 14 3.190 5.490 1.264 59 2HG2 ILE 14 2HG2 ILE 14 3.528 4.489 -0.147 60 3HG2 ILE 14 3HG2 ILE 14 3.795 6.230 -0.220 61 1HD1 ILE 14 1HD1 ILE 14 2.069 8.184 1.734 62 2HD1 ILE 14 2HD1 ILE 14 2.870 7.866 0.195 63 3HD1 ILE 14 3HD1 ILE 14 1.423 8.873 0.246 64 H SER 15 H SER 15 -0.134 3.293 -2.731 65 HA SER 15 HA SER 15 -0.586 5.713 -1.150 66 1HB SER 15 1HB SER 15 -2.468 3.727 -2.430 67 2HB SER 15 2HB SER 15 -3.005 5.037 -1.378 68 HG SER 15 HG SER 15 -3.127 5.967 -3.302 69 H ASN 16 H ASN 16 -0.960 5.567 1.013 70 HA ASN 16 HA ASN 16 -1.173 2.883 2.148 71 1HB ASN 16 2HB ASN 16 0.821 3.010 3.113 72 2HB ASN 16 1HB ASN 16 1.089 4.536 2.284 73 1HD2 ASN 16 1HD2 ASN 16 0.408 6.499 3.390 74 2HD2 ASN 16 2HD2 ASN 16 0.509 6.560 5.113 75 H GLN 17 H GLN 17 -2.718 5.733 1.861 76 HA GLN 17 HA GLN 17 -3.636 6.108 4.577 77 1HB GLN 17 2HB GLN 17 -4.614 8.030 3.799 78 2HB GLN 17 1HB GLN 17 -3.379 7.815 2.578 79 1HG GLN 17 1HG GLN 17 -5.216 6.543 1.277 80 2HG GLN 17 2HG GLN 17 -6.322 7.394 2.351 81 1HE2 GLN 17 2HE2 GLN 17 -5.352 9.827 2.613 82 2HE2 GLN 17 1HE2 GLN 17 -5.218 10.635 1.091 83 HA PRO 18 HA PRO 18 -7.500 3.887 4.957 84 1HB PRO 18 2HB PRO 18 -8.925 6.111 3.536 85 2HB PRO 18 1HB PRO 18 -9.432 5.188 4.959 86 1HG PRO 18 1HG PRO 18 -8.373 7.615 5.243 87 2HG PRO 18 2HG PRO 18 -7.978 6.315 6.378 88 1HD PRO 18 2HD PRO 18 -6.333 7.552 4.262 89 2HD PRO 18 1HD PRO 18 -5.819 6.752 5.752 90 H VAL 19 H VAL 19 -6.868 5.476 1.911 91 HA VAL 19 HA VAL 19 -7.529 3.005 0.479 92 HB VAL 19 HB VAL 19 -8.426 4.276 -1.400 93 1HG1 VAL 19 1HG2 VAL 19 -9.667 4.142 1.220 94 2HG1 VAL 19 2HG2 VAL 19 -10.340 5.432 0.224 95 3HG1 VAL 19 3HG2 VAL 19 -10.337 3.771 -0.369 96 1HG2 VAL 19 1HG1 VAL 19 -7.437 6.361 -1.383 97 2HG2 VAL 19 2HG1 VAL 19 -9.063 6.734 -0.808 98 3HG2 VAL 19 3HG1 VAL 19 -7.729 6.603 0.340 99 H ASN 20 H ASN 20 -4.249 3.480 -0.781 100 HA ASN 20 HA ASN 20 -4.464 1.349 -0.270 101 1HB ASN 20 1HB ASN 20 -6.385 2.337 1.777 102 2HB ASN 20 2HB ASN 20 -6.295 0.633 1.428 103 1HD2 ASN 20 1HD2 ASN 20 -3.582 2.845 1.322 104 2HD2 ASN 20 2HD2 ASN 20 -2.759 2.155 2.672 105 HA PRO 21 HA PRO 21 -7.408 -0.275 -2.961 106 1HB PRO 21 1HB PRO 21 -7.551 -2.716 -1.310 107 2HB PRO 21 2HB PRO 21 -6.952 -2.510 -2.970 108 1HG PRO 21 2HG PRO 21 -5.230 -2.905 -1.008 109 2HG PRO 21 1HG PRO 21 -4.892 -1.658 -2.228 110 1HD PRO 21 1HD PRO 21 -6.113 -1.332 0.501 111 2HD PRO 21 2HD PRO 21 -4.685 -0.521 -0.183 112 H ARG 22 H ARG 22 -8.376 0.450 0.171 113 HA ARG 22 HA ARG 22 -10.927 -0.640 0.468 114 1HB ARG 22 2HB ARG 22 -9.578 1.212 1.846 115 2HB ARG 22 1HB ARG 22 -10.586 2.295 0.895 116 1HG ARG 22 1HG ARG 22 -11.879 2.021 2.760 117 2HG ARG 22 2HG ARG 22 -12.519 0.744 1.724 118 1HD ARG 22 1HD ARG 22 -11.343 -0.932 2.881 119 2HD ARG 22 2HD ARG 22 -10.299 0.242 3.681 120 1HH1 ARG 22 1HH1 ARG 22 -10.940 -2.067 4.510 121 2HH1 ARG 22 2HH1 ARG 22 -11.680 -2.704 5.941 122 1HH2 ARG 22 2HH2 ARG 22 -13.760 0.063 6.443 123 2HH2 ARG 22 1HH2 ARG 22 -13.283 -1.492 7.041 124 H SER 23 H SER 23 -9.597 1.741 -1.661 125 HA SER 23 HA SER 23 -12.041 1.648 -3.289 126 1HB SER 23 2HB SER 23 -11.460 3.842 -4.187 127 2HB SER 23 1HB SER 23 -11.595 3.943 -2.436 128 HG SER 23 HG SER 23 -9.714 4.894 -2.726 129 H LEU 24 H LEU 24 -11.526 -0.010 -4.607 130 HA LEU 24 HA LEU 24 -8.970 0.061 -6.102 131 1HB LEU 24 2HB LEU 24 -8.268 -1.372 -4.439 132 2HB LEU 24 1HB LEU 24 -9.873 -1.990 -4.138 133 HG LEU 24 HG LEU 24 -9.713 -3.600 -5.842 134 1HD1 LEU 24 1HD1 LEU 24 -8.358 -1.746 -7.284 135 2HD1 LEU 24 2HD1 LEU 24 -7.088 -2.913 -6.922 136 3HD1 LEU 24 3HD1 LEU 24 -8.568 -3.425 -7.744 137 1HD2 LEU 24 1HD2 LEU 24 -7.958 -4.931 -5.123 138 2HD2 LEU 24 2HD2 LEU 24 -6.847 -3.570 -4.954 139 3HD2 LEU 24 3HD2 LEU 24 -8.143 -3.810 -3.776 140 H GLU 25 H GLU 25 -9.277 -0.341 -8.216 141 HA GLU 25 HA GLU 25 -11.679 -1.833 -9.037 142 1HB GLU 25 1HB GLU 25 -11.748 0.882 -9.120 143 2HB GLU 25 2HB GLU 25 -11.106 0.535 -10.714 144 1HG GLU 25 1HG GLU 25 -13.361 -1.156 -10.056 145 2HG GLU 25 2HG GLU 25 -13.758 0.560 -9.983 146 H LYS 26 H LYS 26 -9.293 0.104 -10.807 147 HA LYS 26 HA LYS 26 -8.682 -2.263 -12.438 148 1HB LYS 26 2HB LYS 26 -7.766 0.476 -13.206 149 2HB LYS 26 1HB LYS 26 -8.194 -0.885 -14.231 150 1HG LYS 26 2HG LYS 26 -10.231 0.631 -12.630 151 2HG LYS 26 1HG LYS 26 -9.762 1.090 -14.268 152 1HD LYS 26 1HD LYS 26 -10.611 -1.717 -13.690 153 2HD LYS 26 2HD LYS 26 -11.825 -0.454 -13.901 154 1HE LYS 26 1HE LYS 26 -10.957 0.064 -16.097 155 2HE LYS 26 2HE LYS 26 -9.653 -1.103 -15.888 156 1HZ LYS 26 1HZ LYS 26 -11.689 -1.800 -17.218 157 2HZ LYS 26 2HZ LYS 26 -11.097 -2.874 -16.063 158 1HN MLE 27 1HM LEM 27 -6.586 -4.409 -10.736 159 2HN MLE 27 2HM LEM 27 -7.596 -3.793 -12.038 160 3HN MLE 27 3HM LEM 27 -8.066 -3.530 -10.359 161 HA MLE 27 HA LEM 27 -4.812 -1.474 -10.516 162 1HB MLE 27 1HB LEM 27 -4.918 -3.513 -8.544 163 2HB MLE 27 2HB LEM 27 -6.536 -2.888 -8.744 164 HG MLE 27 HG LEM 27 -4.390 -0.894 -8.495 165 1HD1 MLE 27 1HD1 LEM 27 -6.133 0.431 -7.978 166 2HD1 MLE 27 2HD1 LEM 27 -7.142 -0.893 -8.525 167 3HD1 MLE 27 3HD1 LEM 27 -6.757 -0.724 -6.814 168 1HD2 MLE 27 1HD2 LEM 27 -3.836 -1.231 -6.379 169 2HD2 MLE 27 2HD2 LEM 27 -5.392 -1.939 -5.947 170 3HD2 MLE 27 3HD2 LEM 27 -4.177 -2.911 -6.782 171 H GLU 28 H GLU 28 -3.383 -2.061 -12.012 172 HA GLU 28 HA GLU 28 -2.876 -4.877 -12.559 173 1HB GLU 28 2HB GLU 28 -2.940 -3.404 -14.480 174 2HB GLU 28 1HB GLU 28 -1.731 -2.350 -13.757 175 1HG GLU 28 2HG GLU 28 -0.481 -4.789 -13.778 176 2HG GLU 28 1HG GLU 28 -1.412 -4.807 -15.276 177 H ILE 29 H ILE 29 -1.739 -5.816 -10.964 178 HA ILE 29 HA ILE 29 0.314 -4.334 -9.569 179 HB ILE 29 HB ILE 29 0.428 -6.185 -8.047 180 1HG1 ILE 29 2HG1 ILE 29 -1.318 -8.104 -8.570 181 2HG1 ILE 29 1HG1 ILE 29 -1.024 -7.615 -10.236 182 1HG2 ILE 29 1HG2 ILE 29 -2.463 -5.741 -8.773 183 2HG2 ILE 29 2HG2 ILE 29 -1.809 -6.162 -7.192 184 3HG2 ILE 29 3HG2 ILE 29 -1.469 -4.581 -7.892 185 1HD1 ILE 29 1HD1 ILE 29 0.705 -8.998 -10.208 186 2HD1 ILE 29 2HD1 ILE 29 1.506 -7.837 -9.149 187 3HD1 ILE 29 3HD1 ILE 29 0.612 -9.190 -8.457 188 H ILE 30 H ILE 30 2.438 -4.788 -9.450 189 HA ILE 30 HA ILE 30 3.576 -6.919 -11.091 190 HB ILE 30 HB ILE 30 5.220 -4.533 -11.282 191 1HG1 ILE 30 1HG1 ILE 30 2.543 -4.441 -12.698 192 2HG1 ILE 30 2HG1 ILE 30 3.011 -3.398 -11.359 193 1HG2 ILE 30 1HG2 ILE 30 4.340 -5.534 -13.801 194 2HG2 ILE 30 2HG2 ILE 30 5.917 -5.704 -13.028 195 3HG2 ILE 30 3HG2 ILE 30 4.652 -6.893 -12.720 196 1HD1 ILE 30 1HD1 ILE 30 4.070 -3.436 -14.156 197 2HD1 ILE 30 2HD1 ILE 30 3.338 -2.102 -13.263 198 3HD1 ILE 30 3HD1 ILE 30 4.954 -2.667 -12.837 199 HA PRO 31 HA PRO 31 6.264 -7.116 -7.601 200 1HB PRO 31 1HB PRO 31 8.271 -8.600 -8.567 201 2HB PRO 31 2HB PRO 31 6.630 -9.240 -8.439 202 1HG PRO 31 2HG PRO 31 8.136 -8.364 -10.836 203 2HG PRO 31 1HG PRO 31 6.859 -9.581 -10.692 204 1HD PRO 31 1HD PRO 31 6.596 -6.884 -11.571 205 2HD PRO 31 2HD PRO 31 5.296 -8.063 -11.305 206 H ALA 32 H ALA 32 6.924 -4.952 -7.231 207 HA ALA 32 HA ALA 32 9.189 -3.873 -8.657 208 1HB ALA 32 1HB ALA 32 8.630 -1.892 -7.760 209 2HB ALA 32 2HB ALA 32 7.135 -2.704 -7.296 210 3HB ALA 32 3HB ALA 32 8.457 -2.559 -6.141 211 H SER 33 H SER 33 11.278 -3.798 -7.989 212 HA SER 33 HA SER 33 12.070 -4.475 -5.315 213 1HB SER 33 1HB SER 33 13.574 -6.392 -6.263 214 2HB SER 33 2HB SER 33 11.885 -6.731 -5.881 215 HG SER 33 HG SER 33 11.945 -7.459 -7.876 216 H GLN 34 H GLN 34 13.098 -4.154 -8.691 217 HA GLN 34 HA GLN 34 15.766 -3.564 -8.365 218 1HB GLN 34 2HB GLN 34 14.979 -3.790 -10.576 219 2HB GLN 34 1HB GLN 34 13.717 -2.592 -10.343 220 1HG GLN 34 1HG GLN 34 15.100 -0.844 -10.750 221 2HG GLN 34 2HG GLN 34 16.511 -1.661 -10.078 222 1HE2 GLN 34 2HE2 GLN 34 14.999 -0.664 -12.873 223 2HE2 GLN 34 1HE2 GLN 34 15.910 -1.587 -14.014 224 H PHE 35 H PHE 35 13.370 -1.002 -8.938 225 HA PHE 35 HA PHE 35 15.041 0.899 -7.536 226 1HB PHE 35 1HB PHE 35 13.280 1.088 -9.659 227 2HB PHE 35 2HB PHE 35 12.390 1.832 -8.338 228 HD1 PHE 35 HD1 PHE 35 15.068 2.194 -10.705 229 HD2 PHE 35 HD2 PHE 35 13.413 3.757 -7.110 230 HE1 PHE 35 HE1 PHE 35 16.353 4.269 -11.021 231 HE2 PHE 35 HE2 PHE 35 14.694 5.835 -7.419 232 HZ PHE 35 HZ PHE 35 16.167 6.093 -9.376 233 H CYS 36 H CYS 36 11.695 -0.312 -7.219 234 HA CYS 36 HA CYS 36 11.831 0.433 -4.378 235 1HB CYS 36 1HB CYS 36 9.948 1.274 -6.307 236 2HB CYS 36 2HB CYS 36 9.114 0.113 -5.278 237 HA PRO 37 HA PRO 37 11.065 -3.947 -3.761 238 1HB PRO 37 2HB PRO 37 11.484 -4.042 -1.176 239 2HB PRO 37 1HB PRO 37 12.792 -3.444 -2.212 240 1HG PRO 37 1HG PRO 37 10.717 -1.857 -0.712 241 2HG PRO 37 2HG PRO 37 12.483 -1.688 -0.629 242 1HD PRO 37 2HD PRO 37 10.916 -0.149 -2.237 243 2HD PRO 37 1HD PRO 37 12.582 -0.596 -2.664 244 H ARG 38 H ARG 38 8.680 -3.172 -4.352 245 HA ARG 38 HA ARG 38 6.938 -4.190 -2.298 246 1HB ARG 38 2HB ARG 38 6.359 -1.421 -3.367 247 2HB ARG 38 1HB ARG 38 5.465 -2.294 -2.135 248 1HG ARG 38 1HG ARG 38 8.304 -1.377 -1.779 249 2HG ARG 38 2HG ARG 38 6.895 -0.438 -1.296 250 1HD ARG 38 2HD ARG 38 6.397 -1.803 0.448 251 2HD ARG 38 1HD ARG 38 7.024 -3.242 -0.356 252 1HH1 ARG 38 1HH2 ARG 38 7.146 0.050 0.829 253 2HH1 ARG 38 2HH2 ARG 38 8.281 0.873 1.845 254 1HH2 ARG 38 2HH1 ARG 38 10.553 -1.784 1.952 255 2HH2 ARG 38 1HH1 ARG 38 10.220 -0.171 2.484 256 H VAL 39 H VAL 39 4.500 -3.342 -3.417 257 HA VAL 39 HA VAL 39 4.546 -4.849 -5.908 258 HB VAL 39 HB VAL 39 1.999 -3.734 -4.771 259 1HG1 VAL 39 1HG1 VAL 39 2.592 -6.382 -6.079 260 2HG1 VAL 39 2HG1 VAL 39 1.021 -5.626 -5.818 261 3HG1 VAL 39 3HG1 VAL 39 2.154 -4.929 -6.977 262 1HG2 VAL 39 1HG2 VAL 39 3.316 -4.798 -2.902 263 2HG2 VAL 39 2HG2 VAL 39 1.769 -5.569 -3.253 264 3HG2 VAL 39 3HG2 VAL 39 3.270 -6.306 -3.814 265 H GLU 40 H GLU 40 4.501 -3.922 -7.845 266 HA GLU 40 HA GLU 40 4.181 -1.031 -8.029 267 1HB GLU 40 1HB GLU 40 5.307 -3.171 -9.744 268 2HB GLU 40 2HB GLU 40 4.493 -1.869 -10.602 269 1HG GLU 40 2HG GLU 40 6.500 -1.192 -8.513 270 2HG GLU 40 1HG GLU 40 7.043 -1.740 -10.099 271 H ILE 41 H ILE 41 2.235 -0.164 -8.445 272 HA ILE 41 HA ILE 41 0.267 -1.818 -9.848 273 HB ILE 41 HB ILE 41 0.084 -2.314 -7.476 274 1HG1 ILE 41 2HG1 ILE 41 -2.274 -1.939 -7.220 275 2HG1 ILE 41 1HG1 ILE 41 -2.243 -0.628 -8.395 276 1HG2 ILE 41 1HG2 ILE 41 0.519 0.446 -7.180 277 2HG2 ILE 41 2HG2 ILE 41 -1.056 0.077 -6.482 278 3HG2 ILE 41 3HG2 ILE 41 0.382 -0.781 -5.926 279 1HD1 ILE 41 1HD1 ILE 41 -1.277 -3.259 -9.299 280 2HD1 ILE 41 2HD1 ILE 41 -3.002 -3.109 -8.980 281 3HD1 ILE 41 3HD1 ILE 41 -2.225 -2.041 -10.150 282 H ILE 42 H ILE 42 -0.787 -0.717 -11.301 283 HA ILE 42 HA ILE 42 -1.055 2.187 -11.038 284 HB ILE 42 HB ILE 42 -2.189 0.589 -13.312 285 1HG1 ILE 42 1HG1 ILE 42 0.596 1.774 -13.287 286 2HG1 ILE 42 2HG1 ILE 42 0.281 0.070 -12.974 287 1HG2 ILE 42 1HG2 ILE 42 -2.906 2.662 -13.761 288 2HG2 ILE 42 2HG2 ILE 42 -1.813 3.382 -12.575 289 3HG2 ILE 42 3HG2 ILE 42 -1.237 3.019 -14.205 290 1HD1 ILE 42 1HD1 ILE 42 -1.065 0.690 -15.352 291 2HD1 ILE 42 2HD1 ILE 42 0.530 1.433 -15.467 292 3HD1 ILE 42 3HD1 ILE 42 0.384 -0.296 -15.146 293 H ALA 43 H ALA 43 -2.493 2.412 -9.446 294 HA ALA 43 HA ALA 43 -4.773 0.648 -9.356 295 1HB ALA 43 1HB ALA 43 -4.925 2.155 -7.089 296 2HB ALA 43 2HB ALA 43 -4.048 0.631 -7.231 297 3HB ALA 43 3HB ALA 43 -3.192 2.163 -7.418 298 H THR 44 H THR 44 -6.620 1.126 -10.104 299 HA THR 44 HA THR 44 -7.502 3.928 -10.115 300 HB THR 44 HB THR 44 -8.463 1.554 -11.723 301 HG1 THR 44 HG1 THR 44 -7.288 4.039 -12.349 302 1HG2 THR 44 1HG2 THR 44 -9.828 4.151 -11.210 303 2HG2 THR 44 2HG2 THR 44 -9.979 3.363 -12.781 304 3HG2 THR 44 3HG2 THR 44 -10.505 2.525 -11.321 305 H MET 45 H MET 45 -9.023 4.463 -8.701 306 HA MET 45 HA MET 45 -9.642 2.524 -6.703 307 1HB MET 45 2HB MET 45 -9.922 5.490 -7.010 308 2HB MET 45 1HB MET 45 -10.695 4.678 -5.665 309 1HG MET 45 2HG MET 45 -8.528 3.793 -4.961 310 2HG MET 45 1HG MET 45 -7.761 4.618 -6.312 311 1HE MET 45 1HE MET 45 -6.186 5.256 -4.468 312 2HE MET 45 2HE MET 45 -6.347 6.748 -3.541 313 3HE MET 45 3HE MET 45 -6.992 5.236 -2.900 314 H LYS 46 H LYS 46 -11.388 1.223 -6.773 315 HA LYS 46 HA LYS 46 -13.896 2.190 -7.919 316 1HB LYS 46 2HB LYS 46 -13.000 -0.296 -7.974 317 2HB LYS 46 1HB LYS 46 -13.691 -0.361 -6.367 318 1HG LYS 46 1HG LYS 46 -15.268 0.549 -8.751 319 2HG LYS 46 2HG LYS 46 -15.146 -1.148 -8.285 320 1HD LYS 46 2HD LYS 46 -15.896 -0.336 -5.956 321 2HD LYS 46 1HD LYS 46 -16.404 1.131 -6.796 322 1HE LYS 46 2HE LYS 46 -17.926 -0.079 -8.164 323 2HE LYS 46 1HE LYS 46 -17.273 -1.627 -7.630 324 1HZ LYS 46 1HZ LYS 46 -18.257 0.057 -5.509 325 2HZ LYS 46 2HZ LYS 46 -19.444 -0.429 -6.602 326 H LYS 47 H LYS 47 -14.542 3.765 -6.661 327 HA LYS 47 HA LYS 47 -15.838 3.447 -4.245 328 1HB LYS 47 2HB LYS 47 -13.377 3.047 -3.530 329 2HB LYS 47 1HB LYS 47 -13.173 4.767 -3.786 330 1HG LYS 47 2HG LYS 47 -13.633 3.949 -1.426 331 2HG LYS 47 1HG LYS 47 -14.585 5.312 -2.018 332 1HD LYS 47 2HD LYS 47 -16.474 3.891 -2.430 333 2HD LYS 47 1HD LYS 47 -15.523 2.446 -2.080 334 1HE LYS 47 1HE LYS 47 -16.718 2.772 -0.117 335 2HE LYS 47 2HE LYS 47 -15.160 3.516 0.236 336 1HZ LYS 47 1HZ LYS 47 -16.145 5.669 -0.370 337 2HZ LYS 47 2HZ LYS 47 -17.642 4.920 -0.567 338 H LYS 48 H LYS 48 -13.813 5.455 -6.244 339 HA LYS 48 HA LYS 48 -15.864 7.462 -6.420 340 1HB LYS 48 1HB LYS 48 -14.540 7.924 -4.312 341 2HB LYS 48 2HB LYS 48 -13.162 8.265 -5.354 342 1HG LYS 48 1HG LYS 48 -14.518 10.016 -6.479 343 2HG LYS 48 2HG LYS 48 -15.779 9.746 -5.271 344 1HD LYS 48 1HD LYS 48 -13.261 10.091 -3.956 345 2HD LYS 48 2HD LYS 48 -13.519 11.425 -5.083 346 1HE LYS 48 1HE LYS 48 -14.500 12.159 -3.097 347 2HE LYS 48 2HE LYS 48 -15.859 11.590 -4.066 348 1HZ LYS 48 1HZ LYS 48 -16.099 9.709 -2.777 349 2HZ LYS 48 2HZ LYS 48 -14.533 9.785 -2.160 350 H GLY 49 H GLY 49 -14.292 5.592 -8.125 351 1HA GLY 49 2HA GLY 49 -13.109 5.560 -10.103 352 2HA GLY 49 1HA GLY 49 -14.104 6.962 -10.464 353 H GLU 50 H GLU 50 -11.167 6.141 -8.606 354 HA GLU 50 HA GLU 50 -9.999 8.654 -9.623 355 1HB GLU 50 1HB GLU 50 -10.505 8.191 -7.043 356 2HB GLU 50 2HB GLU 50 -8.927 7.420 -7.139 357 1HG GLU 50 2HG GLU 50 -7.859 9.371 -7.217 358 2HG GLU 50 1HG GLU 50 -8.986 10.042 -8.396 359 H LYS 51 H LYS 51 -7.666 8.706 -9.849 360 HA LYS 51 HA LYS 51 -6.566 6.086 -10.661 361 1HB LYS 51 2HB LYS 51 -5.842 8.855 -11.659 362 2HB LYS 51 1HB LYS 51 -5.111 7.350 -12.199 363 1HG LYS 51 1HG LYS 51 -7.484 6.665 -12.880 364 2HG LYS 51 2HG LYS 51 -7.880 8.375 -12.697 365 1HD LYS 51 2HD LYS 51 -5.544 8.388 -14.183 366 2HD LYS 51 1HD LYS 51 -6.449 7.015 -14.827 367 1HE LYS 51 1HE LYS 51 -7.261 8.728 -16.124 368 2HE LYS 51 2HE LYS 51 -8.446 8.697 -14.819 369 1HZ LYS 51 1HZ LYS 51 -7.308 10.510 -13.757 370 2HZ LYS 51 2HZ LYS 51 -6.102 10.510 -14.935 371 H ARG 52 H ARG 52 -4.864 5.352 -9.609 372 HA ARG 52 HA ARG 52 -3.033 7.165 -8.256 373 1HB ARG 52 1HB ARG 52 -5.130 5.678 -6.918 374 2HB ARG 52 2HB ARG 52 -3.551 5.183 -6.332 375 1HG ARG 52 2HG ARG 52 -4.574 8.014 -6.422 376 2HG ARG 52 1HG ARG 52 -4.523 6.984 -4.990 377 1HD ARG 52 2HD ARG 52 -2.137 6.915 -5.039 378 2HD ARG 52 1HD ARG 52 -2.092 7.718 -6.607 379 1HH1 ARG 52 2HH2 ARG 52 -3.395 9.257 -7.346 380 2HH1 ARG 52 1HH2 ARG 52 -3.596 10.976 -7.260 381 1HH2 ARG 52 2HH1 ARG 52 -2.513 11.226 -3.944 382 2HH2 ARG 52 1HH1 ARG 52 -3.095 12.094 -5.325 383 H CYS 53 H CYS 53 -1.138 6.014 -7.386 384 HA CYS 53 HA CYS 53 -0.651 3.384 -8.634 385 1HB CYS 53 2HB CYS 53 0.520 4.855 -10.090 386 2HB CYS 53 1HB CYS 53 1.109 5.841 -8.759 387 H LEU 54 H LEU 54 -0.503 2.094 -6.896 388 HA LEU 54 HA LEU 54 0.600 3.193 -4.459 389 1HB LEU 54 2HB LEU 54 -0.667 0.500 -4.573 390 2HB LEU 54 1HB LEU 54 -0.648 1.661 -3.258 391 HG LEU 54 HG LEU 54 -2.391 1.612 -5.712 392 1HD1 LEU 54 1HD1 LEU 54 -3.957 1.008 -4.265 393 2HD1 LEU 54 2HD1 LEU 54 -2.721 0.934 -3.008 394 3HD1 LEU 54 3HD1 LEU 54 -3.633 2.420 -3.263 395 1HD2 LEU 54 1HD2 LEU 54 -1.331 3.975 -4.363 396 2HD2 LEU 54 2HD2 LEU 54 -2.143 3.823 -5.921 397 3HD2 LEU 54 3HD2 LEU 54 -3.093 3.927 -4.439 398 H ASN 55 H ASN 55 1.773 1.798 -2.974 399 HA ASN 55 HA ASN 55 3.508 -0.196 -4.179 400 1HB ASN 55 1HB ASN 55 5.469 0.940 -2.900 401 2HB ASN 55 2HB ASN 55 4.996 1.597 -4.464 402 1HD2 ASN 55 1HD2 ASN 55 5.436 3.690 -4.286 403 2HD2 ASN 55 2HD2 ASN 55 4.823 4.737 -3.056 404 HA PRO 56 HA PRO 56 1.070 -1.346 -0.389 405 1HB PRO 56 2HB PRO 56 2.669 -3.664 -1.456 406 2HB PRO 56 1HB PRO 56 1.150 -3.723 -0.550 407 1HG PRO 56 1HG PRO 56 1.051 -3.740 -3.184 408 2HG PRO 56 2HG PRO 56 -0.061 -2.701 -2.287 409 1HD PRO 56 2HD PRO 56 2.286 -1.948 -3.929 410 2HD PRO 56 1HD PRO 56 0.865 -0.983 -3.479 411 H GLU 57 H GLU 57 2.271 0.028 0.936 412 HA GLU 57 HA GLU 57 4.341 -1.398 2.466 413 1HB GLU 57 2HB GLU 57 4.838 1.027 3.325 414 2HB GLU 57 1HB GLU 57 5.495 0.487 1.790 415 1HG GLU 57 2HG GLU 57 3.407 1.543 0.749 416 2HG GLU 57 1HG GLU 57 3.231 2.356 2.299 417 H SER 58 H SER 58 1.259 0.185 2.510 418 HA SER 58 HA SER 58 1.029 0.526 5.326 419 1HB SER 58 2HB SER 58 -0.380 1.277 2.971 420 2HB SER 58 1HB SER 58 -1.522 0.438 4.018 421 HG SER 58 HG SER 58 -1.630 2.336 4.942 422 H LYS 59 H LYS 59 -1.597 -0.324 5.782 423 HA LYS 59 HA LYS 59 -1.186 -3.165 6.249 424 1HB LYS 59 1HB LYS 59 -3.359 -1.326 7.214 425 2HB LYS 59 2HB LYS 59 -3.145 -2.997 7.706 426 1HG LYS 59 2HG LYS 59 -0.946 -2.406 8.646 427 2HG LYS 59 1HG LYS 59 -1.242 -0.719 8.216 428 1HD LYS 59 2HD LYS 59 -2.811 -0.433 9.853 429 2HD LYS 59 1HD LYS 59 -3.300 -2.130 9.831 430 1HE LYS 59 1HE LYS 59 -1.946 -2.593 11.529 431 2HE LYS 59 2HE LYS 59 -0.565 -1.921 10.660 432 1HZ LYS 59 1HZ LYS 59 -2.426 -0.034 11.869 433 2HZ LYS 59 2HZ LYS 59 -1.459 -0.922 12.924 434 H ALA 60 H ALA 60 -4.213 -1.427 5.476 435 HA ALA 60 HA ALA 60 -5.546 -3.471 4.178 436 1HB ALA 60 1HB ALA 60 -6.020 -0.963 2.829 437 2HB ALA 60 2HB ALA 60 -7.098 -1.911 3.854 438 3HB ALA 60 3HB ALA 60 -5.981 -0.755 4.579 439 H ILE 61 H ILE 61 -2.987 -1.445 3.084 440 HA ILE 61 HA ILE 61 -2.995 -1.750 0.357 441 HB ILE 61 HB ILE 61 -1.333 -0.723 2.317 442 1HG1 ILE 61 1HG1 ILE 61 -1.708 0.508 0.376 443 2HG1 ILE 61 2HG1 ILE 61 0.003 0.109 0.297 444 1HG2 ILE 61 1HG2 ILE 61 -0.007 -2.670 2.555 445 2HG2 ILE 61 2HG2 ILE 61 0.196 -2.816 0.811 446 3HG2 ILE 61 3HG2 ILE 61 0.934 -1.478 1.675 447 1HD1 ILE 61 1HD1 ILE 61 -1.415 -1.952 -1.011 448 2HD1 ILE 61 2HD1 ILE 61 -2.025 -0.405 -1.600 449 3HD1 ILE 61 3HD1 ILE 61 -0.303 -0.767 -1.697 450 H LYS 62 H LYS 62 -1.915 -4.000 2.863 451 HA LYS 62 HA LYS 62 -0.718 -5.955 1.256 452 1HB LYS 62 1HB LYS 62 -0.784 -5.863 3.797 453 2HB LYS 62 2HB LYS 62 -2.412 -6.520 3.693 454 1HG LYS 62 2HG LYS 62 -0.985 -8.344 4.116 455 2HG LYS 62 1HG LYS 62 -1.426 -8.452 2.411 456 1HD LYS 62 2HD LYS 62 0.684 -7.613 1.722 457 2HD LYS 62 1HD LYS 62 1.106 -7.136 3.368 458 1HE LYS 62 2HE LYS 62 1.308 -9.407 4.057 459 2HE LYS 62 1HE LYS 62 0.615 -9.990 2.542 460 1HZ LYS 62 1HZ LYS 62 3.245 -9.775 3.066 461 2HZ LYS 62 2HZ LYS 62 2.567 -9.873 1.526 462 H ASN 63 H ASN 63 -4.036 -5.137 1.888 463 HA ASN 63 HA ASN 63 -5.197 -7.443 0.651 464 1HB ASN 63 2HB ASN 63 -6.150 -5.387 2.234 465 2HB ASN 63 1HB ASN 63 -6.831 -5.014 0.654 466 1HD2 ASN 63 2HD2 ASN 63 -8.915 -5.479 1.266 467 2HD2 ASN 63 1HD2 ASN 63 -9.463 -7.088 1.571 468 H LEU 64 H LEU 64 -3.855 -4.463 -0.435 469 HA LEU 64 HA LEU 64 -5.121 -3.977 -2.830 470 1HB LEU 64 2HB LEU 64 -3.252 -2.577 -1.938 471 2HB LEU 64 1HB LEU 64 -2.130 -3.848 -2.368 472 HG LEU 64 HG LEU 64 -3.483 -3.351 -4.737 473 1HD1 LEU 64 1HD1 LEU 64 -2.841 -0.767 -4.783 474 2HD1 LEU 64 2HD1 LEU 64 -4.454 -1.340 -4.354 475 3HD1 LEU 64 3HD1 LEU 64 -3.304 -0.904 -3.088 476 1HD2 LEU 64 1HD2 LEU 64 -0.884 -3.595 -3.935 477 2HD2 LEU 64 2HD2 LEU 64 -1.380 -3.079 -5.546 478 3HD2 LEU 64 3HD2 LEU 64 -0.950 -1.879 -4.332 479 H LEU 65 H LEU 65 -2.116 -5.774 -2.462 480 HA LEU 65 HA LEU 65 -2.334 -6.849 -5.085 481 1HB LEU 65 2HB LEU 65 -0.160 -6.476 -4.181 482 2HB LEU 65 1HB LEU 65 -0.504 -7.450 -2.766 483 HG LEU 65 HG LEU 65 -0.690 -8.900 -5.319 484 1HD1 LEU 65 1HD1 LEU 65 1.179 -7.948 -6.153 485 2HD1 LEU 65 2HD1 LEU 65 1.716 -7.364 -4.577 486 3HD1 LEU 65 3HD1 LEU 65 1.976 -9.050 -5.029 487 1HD2 LEU 65 1HD2 LEU 65 -0.636 -9.620 -2.744 488 2HD2 LEU 65 2HD2 LEU 65 -0.059 -10.661 -4.045 489 3HD2 LEU 65 3HD2 LEU 65 1.089 -9.711 -3.101 490 H LYS 66 H LYS 66 -3.196 -8.093 -1.922 491 HA LYS 66 HA LYS 66 -3.524 -10.800 -2.810 492 1HB LYS 66 1HB LYS 66 -3.176 -9.776 -0.386 493 2HB LYS 66 2HB LYS 66 -4.934 -9.774 -0.392 494 1HG LYS 66 2HG LYS 66 -4.104 -12.301 -1.336 495 2HG LYS 66 1HG LYS 66 -3.149 -11.932 0.103 496 1HD LYS 66 1HD LYS 66 -4.921 -12.107 1.472 497 2HD LYS 66 2HD LYS 66 -5.995 -11.277 0.343 498 1HE LYS 66 1HE LYS 66 -6.631 -13.207 -0.689 499 2HE LYS 66 2HE LYS 66 -5.095 -14.011 -0.374 500 1HZ LYS 66 1HZ LYS 66 -7.041 -14.886 0.881 501 2HZ LYS 66 2HZ LYS 66 -5.715 -14.456 1.828 502 H ALA 67 H ALA 67 -5.677 -8.068 -2.269 503 HA ALA 67 HA ALA 67 -8.035 -9.584 -2.922 504 1HB ALA 67 1HB ALA 67 -7.831 -7.607 -1.271 505 2HB ALA 67 2HB ALA 67 -7.988 -6.606 -2.715 506 3HB ALA 67 3HB ALA 67 -9.270 -7.737 -2.283 507 H VAL 68 H VAL 68 -5.745 -7.684 -4.636 508 HA VAL 68 HA VAL 68 -7.551 -7.164 -6.838 509 HB VAL 68 HB VAL 68 -5.756 -5.565 -6.128 510 1HG1 VAL 68 1HG2 VAL 68 -3.761 -6.947 -7.799 511 2HG1 VAL 68 2HG2 VAL 68 -3.547 -5.986 -6.335 512 3HG1 VAL 68 3HG2 VAL 68 -4.062 -7.670 -6.218 513 1HG2 VAL 68 1HG1 VAL 68 -6.450 -6.425 -8.834 514 2HG2 VAL 68 2HG1 VAL 68 -6.489 -4.819 -8.106 515 3HG2 VAL 68 3HG1 VAL 68 -4.974 -5.466 -8.734 516 H SER 69 H SER 69 -5.183 -9.508 -5.909 517 HA SER 69 HA SER 69 -4.657 -10.541 -8.520 518 1HB SER 69 2HB SER 69 -2.955 -11.074 -7.038 519 2HB SER 69 1HB SER 69 -4.071 -11.420 -5.718 520 HG SER 69 HG SER 69 -3.929 -13.425 -6.286 521 H LYS 70 H LYS 70 -7.016 -11.189 -6.019 522 HA LYS 70 HA LYS 70 -8.497 -12.865 -7.885 523 1HB LYS 70 2HB LYS 70 -6.955 -14.023 -5.868 524 2HB LYS 70 1HB LYS 70 -8.590 -14.027 -5.223 525 1HG LYS 70 1HG LYS 70 -9.309 -15.577 -6.683 526 2HG LYS 70 2HG LYS 70 -8.332 -14.940 -8.007 527 1HD LYS 70 2HD LYS 70 -7.549 -17.148 -7.405 528 2HD LYS 70 1HD LYS 70 -6.328 -15.946 -6.979 529 1HE LYS 70 1HE LYS 70 -6.642 -16.219 -4.730 530 2HE LYS 70 2HE LYS 70 -8.323 -16.718 -4.915 531 1HZ LYS 70 1HZ LYS 70 -5.963 -18.364 -5.627 532 2HZ LYS 70 2HZ LYS 70 -6.866 -18.531 -4.214
Contact the webmaster for help, if required. Saturday, June 8, 2024 7:22:37 AM GMT (wattos1)