NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
21305 | 2hg7 | 7224 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 -9.085 -5.747 6.608 2 2H MET 1 2H MET 1 -8.695 -7.094 5.652 3 3H MET 1 3H MET 1 -9.110 -5.623 4.918 4 HA MET 1 HA MET 1 -6.763 -6.023 6.667 5 1HB MET 1 2HB MET 1 -5.440 -5.828 4.530 6 2HB MET 1 1HB MET 1 -6.335 -7.323 4.721 7 1HG MET 1 2HG MET 1 -6.595 -6.702 2.482 8 2HG MET 1 1HG MET 1 -8.119 -6.299 3.267 9 1HE MET 1 1HE MET 1 -7.623 -3.561 0.454 10 2HE MET 1 2HE MET 1 -8.653 -4.872 1.028 11 3HE MET 1 3HE MET 1 -7.052 -5.227 0.376 12 H ILE 2 H ILE 2 -5.097 -4.232 5.927 13 HA ILE 2 HA ILE 2 -6.604 -1.701 5.917 14 HB ILE 2 HB ILE 2 -4.006 -2.245 7.369 15 1HG1 ILE 2 2HG1 ILE 2 -6.799 -1.861 8.479 16 2HG1 ILE 2 1HG1 ILE 2 -5.948 -3.401 8.388 17 1HG2 ILE 2 1HG2 ILE 2 -4.193 0.060 6.636 18 2HG2 ILE 2 2HG2 ILE 2 -4.408 -0.033 8.383 19 3HG2 ILE 2 3HG2 ILE 2 -5.811 0.174 7.335 20 1HD1 ILE 2 1HD1 ILE 2 -5.123 -0.997 10.010 21 2HD1 ILE 2 2HD1 ILE 2 -4.243 -2.524 9.915 22 3HD1 ILE 2 3HD1 ILE 2 -5.856 -2.478 10.626 23 H LEU 3 H LEU 3 -6.068 -0.277 4.365 24 HA LEU 3 HA LEU 3 -4.259 -0.937 2.321 25 1HB LEU 3 2HB LEU 3 -6.018 1.326 3.045 26 2HB LEU 3 1HB LEU 3 -4.754 1.641 1.896 27 HG LEU 3 HG LEU 3 -6.777 1.152 0.699 28 1HD1 LEU 3 1HD1 LEU 3 -6.081 -0.778 -0.640 29 2HD1 LEU 3 2HD1 LEU 3 -4.888 -1.194 0.592 30 3HD1 LEU 3 3HD1 LEU 3 -4.737 0.315 -0.306 31 1HD2 LEU 3 1HD2 LEU 3 -7.987 -0.059 2.402 32 2HD2 LEU 3 2HD2 LEU 3 -6.858 -1.408 2.289 33 3HD2 LEU 3 3HD2 LEU 3 -7.912 -1.027 0.929 34 H TYR 4 H TYR 4 -4.107 1.201 5.082 35 HA TYR 4 HA TYR 4 -1.884 2.722 4.514 36 1HB TYR 4 2HB TYR 4 -3.280 3.140 6.455 37 2HB TYR 4 1HB TYR 4 -2.791 1.615 7.179 38 HD1 TYR 4 HD1 TYR 4 -1.169 4.720 5.843 39 HD2 TYR 4 HD2 TYR 4 -1.240 1.734 8.870 40 HE1 TYR 4 HE1 TYR 4 0.641 5.889 7.030 41 HE2 TYR 4 HE2 TYR 4 0.569 2.890 10.063 42 HH TYR 4 HH TYR 4 2.283 4.467 9.747 43 H ASP 5 H ASP 5 -1.958 -0.489 6.053 44 HA ASP 5 HA ASP 5 0.800 -0.733 6.490 45 1HB ASP 5 2HB ASP 5 -1.415 -2.739 6.184 46 2HB ASP 5 1HB ASP 5 0.253 -3.252 6.391 47 H ALA 6 H ALA 6 -1.211 -1.826 3.793 48 HA ALA 6 HA ALA 6 0.804 -3.045 2.283 49 1HB ALA 6 1HB ALA 6 -1.672 -1.670 1.247 50 2HB ALA 6 2HB ALA 6 -1.605 -3.321 1.861 51 3HB ALA 6 3HB ALA 6 -0.711 -2.886 0.404 52 H ILE 7 H ILE 7 -0.399 0.299 2.230 53 HA ILE 7 HA ILE 7 1.231 1.209 0.116 54 HB ILE 7 HB ILE 7 0.131 2.809 2.436 55 1HG1 ILE 7 2HG1 ILE 7 -1.007 2.354 -0.335 56 2HG1 ILE 7 1HG1 ILE 7 -1.591 1.584 1.134 57 1HG2 ILE 7 1HG2 ILE 7 1.150 3.683 -0.267 58 2HG2 ILE 7 2HG2 ILE 7 1.908 3.995 1.294 59 3HG2 ILE 7 3HG2 ILE 7 0.352 4.729 0.909 60 1HD1 ILE 7 1HD1 ILE 7 -1.610 4.544 0.606 61 2HD1 ILE 7 2HD1 ILE 7 -2.260 3.732 2.031 62 3HD1 ILE 7 3HD1 ILE 7 -2.993 3.462 0.448 63 H MET 8 H MET 8 1.749 1.076 3.615 64 HA MET 8 HA MET 8 4.224 2.474 3.588 65 1HB MET 8 2HB MET 8 3.029 0.560 5.591 66 2HB MET 8 1HB MET 8 4.542 1.410 5.857 67 1HG MET 8 2HG MET 8 1.929 2.795 5.327 68 2HG MET 8 1HG MET 8 2.528 2.424 6.937 69 1HE MET 8 1HE MET 8 3.797 4.170 3.542 70 2HE MET 8 2HE MET 8 3.902 5.804 4.192 71 3HE MET 8 3HE MET 8 2.352 4.967 4.168 72 H TYR 9 H TYR 9 3.360 -0.774 2.832 73 HA TYR 9 HA TYR 9 5.966 -1.889 3.225 74 1HB TYR 9 2HB TYR 9 4.009 -3.340 3.270 75 2HB TYR 9 1HB TYR 9 3.610 -2.902 1.612 76 HD1 TYR 9 HD1 TYR 9 4.583 -4.058 -0.214 77 HD2 TYR 9 HD2 TYR 9 6.132 -4.642 3.706 78 HE1 TYR 9 HE1 TYR 9 5.965 -5.915 -1.038 79 HE2 TYR 9 HE2 TYR 9 7.520 -6.500 2.887 80 HH TYR 9 HH TYR 9 7.464 -8.139 0.957 81 H LYS 10 H LYS 10 4.191 -0.583 0.452 82 HA LYS 10 HA LYS 10 6.436 -1.198 -1.297 83 1HB LYS 10 2HB LYS 10 4.077 -1.607 -2.012 84 2HB LYS 10 1HB LYS 10 3.818 0.130 -2.004 85 1HG LYS 10 2HG LYS 10 4.241 -0.717 -4.258 86 2HG LYS 10 1HG LYS 10 5.495 0.414 -3.743 87 1HD LYS 10 2HD LYS 10 6.949 -1.470 -3.160 88 2HD LYS 10 1HD LYS 10 5.695 -2.596 -3.675 89 1HE LYS 10 2HE LYS 10 7.017 -0.558 -5.464 90 2HE LYS 10 1HE LYS 10 7.477 -2.258 -5.371 91 1HZ LYS 10 1HZ LYS 10 4.889 -1.138 -6.304 92 2HZ LYS 10 2HZ LYS 10 5.149 -2.793 -6.023 93 3HZ LYS 10 3HZ LYS 10 6.033 -1.991 -7.223 94 H TYR 11 H TYR 11 4.901 1.612 0.172 95 HA TYR 11 HA TYR 11 6.939 3.309 -1.118 96 1HB TYR 11 2HB TYR 11 4.149 4.161 -0.315 97 2HB TYR 11 1HB TYR 11 5.354 5.151 -1.122 98 HD1 TYR 11 HD1 TYR 11 6.170 4.268 -3.449 99 HD2 TYR 11 HD2 TYR 11 2.554 3.060 -1.562 100 HE1 TYR 11 HE1 TYR 11 5.268 3.576 -5.633 101 HE2 TYR 11 HE2 TYR 11 1.643 2.366 -3.734 102 HH TYR 11 HH TYR 11 2.006 2.920 -6.144 103 HA PRO 12 HA PRO 12 7.614 3.658 3.445 104 1HB PRO 12 2HB PRO 12 10.417 3.926 2.593 105 2HB PRO 12 1HB PRO 12 9.696 2.801 3.744 106 1HG PRO 12 2HG PRO 12 10.593 1.975 1.354 107 2HG PRO 12 1HG PRO 12 9.152 1.262 2.104 108 1HD PRO 12 2HD PRO 12 9.331 3.345 -0.049 109 2HD PRO 12 1HD PRO 12 8.277 1.915 0.044 110 H ASN 13 H ASN 13 8.572 5.542 0.689 111 HA ASN 13 HA ASN 13 9.360 7.801 2.362 112 1HB ASN 13 2HB ASN 13 9.621 7.243 -0.587 113 2HB ASN 13 1HB ASN 13 9.961 8.819 0.108 114 1HD2 ASN 13 1HD2 ASN 13 11.039 5.552 -0.251 115 2HD2 ASN 13 2HD2 ASN 13 12.589 5.763 0.494 116 H ALA 14 H ALA 14 6.527 6.673 1.459 117 HA ALA 14 HA ALA 14 5.381 9.222 0.583 118 1HB ALA 14 1HB ALA 14 4.652 7.210 -0.603 119 2HB ALA 14 2HB ALA 14 3.306 7.961 0.256 120 3HB ALA 14 3HB ALA 14 4.078 6.520 0.915 121 H VAL 15 H VAL 15 3.980 10.431 1.845 122 HA VAL 15 HA VAL 15 3.940 9.647 4.684 123 HB VAL 15 HB VAL 15 3.517 12.410 3.537 124 1HG1 VAL 15 1HG1 VAL 15 4.058 11.494 6.358 125 2HG1 VAL 15 2HG1 VAL 15 2.517 12.082 5.731 126 3HG1 VAL 15 3HG1 VAL 15 3.904 13.168 5.825 127 1HG2 VAL 15 1HG2 VAL 15 5.808 12.893 4.307 128 2HG2 VAL 15 2HG2 VAL 15 5.768 11.676 3.032 129 3HG2 VAL 15 3HG2 VAL 15 6.016 11.189 4.708 130 H SER 16 H SER 16 2.082 9.139 5.625 131 HA SER 16 HA SER 16 -0.392 9.261 4.218 132 1HB SER 16 2HB SER 16 -1.302 8.485 6.486 133 2HB SER 16 1HB SER 16 -0.120 7.432 5.707 134 HG SER 16 HG SER 16 0.105 8.104 8.083 135 H ARG 17 H ARG 17 -2.269 10.453 4.847 136 HA ARG 17 HA ARG 17 -3.429 12.325 5.414 137 1HB ARG 17 2HB ARG 17 -1.296 12.804 7.506 138 2HB ARG 17 1HB ARG 17 -2.919 13.473 7.482 139 1HG ARG 17 2HG ARG 17 -3.870 11.295 7.880 140 2HG ARG 17 1HG ARG 17 -2.276 10.546 7.766 141 1HD ARG 17 2HD ARG 17 -3.239 12.480 9.872 142 2HD ARG 17 1HD ARG 17 -2.865 10.772 10.090 143 HE ARG 17 HE ARG 17 -0.800 12.736 9.327 144 1HH1 ARG 17 1HH1 ARG 17 -1.941 10.148 11.407 145 2HH1 ARG 17 2HH1 ARG 17 -0.431 10.004 12.256 146 1HH2 ARG 17 1HH2 ARG 17 1.178 12.540 10.431 147 2HH2 ARG 17 2HH2 ARG 17 1.354 11.353 11.693 148 H LYS 18 H LYS 18 -0.982 12.277 3.633 149 HA LYS 18 HA LYS 18 -0.623 15.165 3.370 150 1HB LYS 18 2HB LYS 18 1.262 14.451 4.728 151 2HB LYS 18 1HB LYS 18 1.625 13.153 3.602 152 1HG LYS 18 2HG LYS 18 3.210 14.853 3.211 153 2HG LYS 18 1HG LYS 18 2.065 14.922 1.872 154 1HD LYS 18 2HD LYS 18 0.922 16.798 2.918 155 2HD LYS 18 1HD LYS 18 2.015 16.708 4.302 156 1HE LYS 18 2HE LYS 18 2.774 17.336 1.450 157 2HE LYS 18 1HE LYS 18 2.707 18.480 2.790 158 1HZ LYS 18 1HZ LYS 18 4.570 16.172 2.526 159 2HZ LYS 18 2HZ LYS 18 4.464 17.168 3.894 160 3HZ LYS 18 3HZ LYS 18 4.973 17.817 2.411 161 H ASP 19 H ASP 19 0.964 12.318 1.944 162 HA ASP 19 HA ASP 19 0.555 13.362 -0.719 163 1HB ASP 19 2HB ASP 19 1.739 10.733 0.210 164 2HB ASP 19 1HB ASP 19 1.761 11.324 -1.447 165 H PHE 20 H PHE 20 -0.814 10.963 1.364 166 HA PHE 20 HA PHE 20 -3.022 10.677 -0.512 167 1HB PHE 20 2HB PHE 20 -3.156 8.226 -0.014 168 2HB PHE 20 1HB PHE 20 -1.750 8.691 -0.960 169 HD1 PHE 20 HD1 PHE 20 0.489 8.667 0.052 170 HD2 PHE 20 HD2 PHE 20 -2.939 7.310 2.182 171 HE1 PHE 20 HE1 PHE 20 1.950 7.540 1.677 172 HE2 PHE 20 HE2 PHE 20 -1.480 6.176 3.809 173 HZ PHE 20 HZ PHE 20 0.966 6.292 3.558 174 H GLU 21 H GLU 21 -4.972 10.650 0.425 175 HA GLU 21 HA GLU 21 -5.042 11.068 3.327 176 1HB GLU 21 2HB GLU 21 -6.111 12.790 1.972 177 2HB GLU 21 1HB GLU 21 -7.097 11.581 1.166 178 1HG GLU 21 2HG GLU 21 -8.538 12.572 2.687 179 2HG GLU 21 1HG GLU 21 -8.052 11.072 3.473 180 H LEU 22 H LEU 22 -5.809 9.531 4.636 181 HA LEU 22 HA LEU 22 -7.076 7.183 3.414 182 1HB LEU 22 2HB LEU 22 -5.931 7.520 6.180 183 2HB LEU 22 1HB LEU 22 -6.549 6.032 5.502 184 HG LEU 22 HG LEU 22 -4.144 7.519 4.447 185 1HD1 LEU 22 1HD1 LEU 22 -4.291 5.019 6.125 186 2HD1 LEU 22 2HD1 LEU 22 -3.754 6.602 6.687 187 3HD1 LEU 22 3HD1 LEU 22 -2.830 5.742 5.456 188 1HD2 LEU 22 1HD2 LEU 22 -3.753 5.473 3.170 189 2HD2 LEU 22 2HD2 LEU 22 -5.307 6.198 2.755 190 3HD2 LEU 22 3HD2 LEU 22 -5.246 4.785 3.810 191 H ARG 23 H ARG 23 -8.935 6.277 4.368 192 HA ARG 23 HA ARG 23 -10.430 8.064 6.163 193 1HB ARG 23 2HB ARG 23 -11.203 8.149 3.720 194 2HB ARG 23 1HB ARG 23 -11.738 6.489 3.946 195 1HG ARG 23 2HG ARG 23 -13.674 7.522 4.450 196 2HG ARG 23 1HG ARG 23 -12.942 7.593 6.049 197 1HD ARG 23 2HD ARG 23 -12.780 9.780 3.984 198 2HD ARG 23 1HD ARG 23 -13.941 9.741 5.304 199 HE ARG 23 HE ARG 23 -11.622 9.583 6.631 200 1HH1 ARG 23 1HH1 ARG 23 -12.666 11.708 4.034 201 2HH1 ARG 23 2HH1 ARG 23 -11.679 13.037 4.565 202 1HH2 ARG 23 1HH2 ARG 23 -10.367 11.371 7.347 203 2HH2 ARG 23 2HH2 ARG 23 -10.404 12.854 6.440 204 H ASN 24 H ASN 24 -11.688 7.021 7.691 205 HA ASN 24 HA ASN 24 -10.900 4.239 8.125 206 1HB ASN 24 2HB ASN 24 -10.492 5.821 9.958 207 2HB ASN 24 1HB ASN 24 -12.208 6.208 10.013 208 1HD2 ASN 24 1HD2 ASN 24 -13.627 4.786 10.958 209 2HD2 ASN 24 2HD2 ASN 24 -13.111 3.429 11.900 210 H ASP 25 H ASP 25 -12.203 2.789 7.303 211 HA ASP 25 HA ASP 25 -15.026 3.237 6.929 212 1HB ASP 25 2HB ASP 25 -14.004 1.901 5.257 213 2HB ASP 25 1HB ASP 25 -13.185 0.896 6.447 214 H GLY 26 H GLY 26 -12.954 1.465 9.125 215 1HA GLY 26 2HA GLY 26 -13.898 1.101 11.405 216 2HA GLY 26 1HA GLY 26 -15.349 0.529 10.585 217 H ASN 27 H ASN 27 -14.266 -0.992 8.571 218 HA ASN 27 HA ASN 27 -13.123 -3.248 10.019 219 1HB ASN 27 2HB ASN 27 -14.964 -3.624 8.398 220 2HB ASN 27 1HB ASN 27 -13.945 -2.994 7.109 221 1HD2 ASN 27 1HD2 ASN 27 -12.435 -4.322 6.173 222 2HD2 ASN 27 2HD2 ASN 27 -12.240 -5.988 6.586 223 H GLY 28 H GLY 28 -12.055 -0.546 8.518 224 1HA GLY 28 2HA GLY 28 -9.365 -0.994 8.774 225 2HA GLY 28 1HA GLY 28 -9.754 -1.506 7.136 226 H SER 29 H SER 29 -8.070 0.415 7.052 227 HA SER 29 HA SER 29 -9.654 2.838 6.522 228 1HB SER 29 2HB SER 29 -6.715 2.701 7.250 229 2HB SER 29 1HB SER 29 -7.659 4.166 6.976 230 HG SER 29 HG SER 29 -9.015 2.918 8.764 231 H TYR 30 H TYR 30 -9.608 3.588 4.466 232 HA TYR 30 HA TYR 30 -7.713 2.292 2.621 233 1HB TYR 30 2HB TYR 30 -9.483 2.187 0.924 234 2HB TYR 30 1HB TYR 30 -9.900 1.260 2.358 235 HD1 TYR 30 HD1 TYR 30 -10.846 3.964 0.168 236 HD2 TYR 30 HD2 TYR 30 -11.603 2.187 3.958 237 HE1 TYR 30 HE1 TYR 30 -13.003 5.132 0.277 238 HE2 TYR 30 HE2 TYR 30 -13.766 3.351 4.079 239 HH TYR 30 HH TYR 30 -15.202 4.800 1.404 240 H ILE 31 H ILE 31 -8.095 3.527 0.319 241 HA ILE 31 HA ILE 31 -6.946 6.121 0.926 242 HB ILE 31 HB ILE 31 -7.294 4.786 -1.762 243 1HG1 ILE 31 2HG1 ILE 31 -4.876 4.817 0.060 244 2HG1 ILE 31 1HG1 ILE 31 -5.943 3.439 -0.172 245 1HG2 ILE 31 1HG2 ILE 31 -5.512 6.315 -2.473 246 2HG2 ILE 31 2HG2 ILE 31 -5.533 7.070 -0.880 247 3HG2 ILE 31 3HG2 ILE 31 -6.947 7.182 -1.928 248 1HD1 ILE 31 1HD1 ILE 31 -5.323 3.335 -2.519 249 2HD1 ILE 31 2HD1 ILE 31 -3.906 3.222 -1.473 250 3HD1 ILE 31 3HD1 ILE 31 -4.269 4.734 -2.305 251 H GLU 32 H GLU 32 -8.058 7.906 0.962 252 HA GLU 32 HA GLU 32 -10.629 8.085 -0.422 253 1HB GLU 32 2HB GLU 32 -10.196 8.752 2.054 254 2HB GLU 32 1HB GLU 32 -9.432 10.184 1.387 255 1HG GLU 32 2HG GLU 32 -12.276 9.370 0.838 256 2HG GLU 32 1HG GLU 32 -11.787 10.499 2.097 257 H LYS 33 H LYS 33 -7.704 10.077 0.044 258 HA LYS 33 HA LYS 33 -8.165 11.294 -2.596 259 1HB LYS 33 2HB LYS 33 -8.313 12.808 -0.641 260 2HB LYS 33 1HB LYS 33 -6.666 12.377 -0.208 261 1HG LYS 33 2HG LYS 33 -6.209 13.200 -2.677 262 2HG LYS 33 1HG LYS 33 -7.669 14.130 -2.361 263 1HD LYS 33 2HD LYS 33 -5.078 14.168 -0.873 264 2HD LYS 33 1HD LYS 33 -5.868 15.485 -1.716 265 1HE LYS 33 2HE LYS 33 -6.937 14.140 0.748 266 2HE LYS 33 1HE LYS 33 -6.035 15.649 0.737 267 1HZ LYS 33 1HZ LYS 33 -8.660 15.185 -0.582 268 2HZ LYS 33 2HZ LYS 33 -7.788 16.642 -0.610 269 3HZ LYS 33 3HZ LYS 33 -8.404 16.050 0.856 270 H TRP 34 H TRP 34 -6.502 11.292 -4.068 271 HA TRP 34 HA TRP 34 -4.000 9.953 -3.248 272 1HB TRP 34 2HB TRP 34 -5.556 8.469 -4.533 273 2HB TRP 34 1HB TRP 34 -5.456 9.594 -5.879 274 HD1 TRP 34 HD1 TRP 34 -3.581 9.166 -7.589 275 HE1 TRP 34 HE1 TRP 34 -1.572 7.559 -7.730 276 HE3 TRP 34 HE3 TRP 34 -3.690 7.314 -2.824 277 HZ2 TRP 34 HZ2 TRP 34 -0.213 5.761 -6.036 278 HZ3 TRP 34 HZ3 TRP 34 -2.005 5.651 -2.169 279 HH2 TRP 34 HH2 TRP 34 -0.299 4.888 -3.746 280 H ASN 35 H ASN 35 -2.399 11.430 -3.392 281 HA ASN 35 HA ASN 35 -2.484 13.343 -5.640 282 1HB ASN 35 2HB ASN 35 -1.397 13.672 -2.844 283 2HB ASN 35 1HB ASN 35 -0.979 14.769 -4.154 284 1HD2 ASN 35 1HD2 ASN 35 -2.303 15.451 -1.735 285 2HD2 ASN 35 2HD2 ASN 35 -3.867 16.066 -2.160 286 H LEU 36 H LEU 36 -1.138 10.576 -5.065 287 HA LEU 36 HA LEU 36 1.657 11.259 -5.445 288 1HB LEU 36 2HB LEU 36 0.192 8.651 -5.117 289 2HB LEU 36 1HB LEU 36 1.890 8.719 -5.539 290 HG LEU 36 HG LEU 36 0.692 9.876 -3.029 291 1HD1 LEU 36 1HD1 LEU 36 0.600 7.438 -3.052 292 2HD1 LEU 36 2HD1 LEU 36 1.788 8.024 -1.888 293 3HD1 LEU 36 3HD1 LEU 36 2.321 7.374 -3.439 294 1HD2 LEU 36 1HD2 LEU 36 3.561 9.552 -3.901 295 2HD2 LEU 36 2HD2 LEU 36 3.025 10.128 -2.323 296 3HD2 LEU 36 3HD2 LEU 36 2.679 11.073 -3.770 297 H ARG 37 H ARG 37 2.841 10.901 -7.271 298 HA ARG 37 HA ARG 37 1.390 10.606 -9.744 299 1HB ARG 37 2HB ARG 37 4.324 10.976 -9.145 300 2HB ARG 37 1HB ARG 37 3.701 10.748 -10.770 301 1HG ARG 37 2HG ARG 37 2.260 12.771 -10.392 302 2HG ARG 37 1HG ARG 37 3.176 13.044 -8.907 303 1HD ARG 37 2HD ARG 37 4.062 14.343 -10.801 304 2HD ARG 37 1HD ARG 37 5.241 13.188 -10.175 305 HE ARG 37 HE ARG 37 3.601 12.407 -12.474 306 1HH1 ARG 37 1HH1 ARG 37 6.723 13.407 -11.228 307 2HH1 ARG 37 2HH1 ARG 37 7.609 12.809 -12.604 308 1HH2 ARG 37 1HH2 ARG 37 4.744 11.623 -14.274 309 2HH2 ARG 37 2HH2 ARG 37 6.480 11.790 -14.341 310 H ALA 38 H ALA 38 0.708 8.447 -8.747 311 HA ALA 38 HA ALA 38 2.276 6.383 -10.074 312 1HB ALA 38 1HB ALA 38 3.084 6.350 -7.769 313 2HB ALA 38 2HB ALA 38 2.166 4.891 -8.142 314 3HB ALA 38 3HB ALA 38 1.428 6.175 -7.185 315 HA PRO 39 HA PRO 39 -1.756 5.098 -11.384 316 1HB PRO 39 2HB PRO 39 -0.641 2.351 -11.277 317 2HB PRO 39 1HB PRO 39 -1.369 3.217 -12.634 318 1HG PRO 39 2HG PRO 39 1.271 2.798 -12.517 319 2HG PRO 39 1HG PRO 39 0.599 4.302 -13.173 320 1HD PRO 39 2HD PRO 39 1.855 3.792 -10.510 321 2HD PRO 39 1HD PRO 39 1.973 5.218 -11.560 322 H LEU 40 H LEU 40 -3.592 4.244 -10.488 323 HA LEU 40 HA LEU 40 -3.609 3.712 -7.708 324 1HB LEU 40 2HB LEU 40 -5.635 3.701 -9.891 325 2HB LEU 40 1HB LEU 40 -6.030 2.895 -8.391 326 HG LEU 40 HG LEU 40 -6.917 5.151 -8.395 327 1HD1 LEU 40 1HD1 LEU 40 -6.169 4.205 -6.264 328 2HD1 LEU 40 2HD1 LEU 40 -5.969 5.957 -6.307 329 3HD1 LEU 40 3HD1 LEU 40 -4.570 4.905 -6.516 330 1HD2 LEU 40 1HD2 LEU 40 -5.344 6.190 -9.932 331 2HD2 LEU 40 2HD2 LEU 40 -4.057 6.044 -8.735 332 3HD2 LEU 40 3HD2 LEU 40 -5.436 7.098 -8.423 333 HA PRO 41 HA PRO 41 -2.367 -0.550 -8.004 334 1HB PRO 41 2HB PRO 41 -2.996 -1.143 -5.379 335 2HB PRO 41 1HB PRO 41 -1.460 -0.479 -5.937 336 1HG PRO 41 2HG PRO 41 -3.788 0.903 -4.691 337 2HG PRO 41 1HG PRO 41 -2.056 1.218 -4.490 338 1HD PRO 41 2HD PRO 41 -3.637 2.775 -6.029 339 2HD PRO 41 1HD PRO 41 -1.930 2.475 -6.420 340 H THR 42 H THR 42 -3.336 -2.493 -8.200 341 HA THR 42 HA THR 42 -6.258 -2.392 -8.298 342 HB THR 42 HB THR 42 -5.927 -4.639 -9.515 343 HG1 THR 42 HG1 THR 42 -3.252 -3.607 -9.620 344 1HG2 THR 42 1HG2 THR 42 -5.368 -3.517 -11.629 345 2HG2 THR 42 2HG2 THR 42 -4.839 -2.096 -10.728 346 3HG2 THR 42 3HG2 THR 42 -6.533 -2.590 -10.680 347 H GLN 43 H GLN 43 -7.345 -4.583 -7.809 348 HA GLN 43 HA GLN 43 -7.224 -5.078 -5.089 349 1HB GLN 43 2HB GLN 43 -9.100 -5.681 -6.605 350 2HB GLN 43 1HB GLN 43 -8.140 -7.008 -7.224 351 1HG GLN 43 2HG GLN 43 -9.793 -7.731 -5.575 352 2HG GLN 43 1HG GLN 43 -8.141 -8.083 -5.072 353 1HE2 GLN 43 1HE2 GLN 43 -7.259 -6.972 -3.325 354 2HE2 GLN 43 2HE2 GLN 43 -8.232 -6.050 -2.231 355 H ALA 44 H ALA 44 -5.932 -7.068 -7.717 356 HA ALA 44 HA ALA 44 -4.679 -9.031 -6.188 357 1HB ALA 44 1HB ALA 44 -3.290 -9.460 -8.146 358 2HB ALA 44 2HB ALA 44 -3.762 -7.903 -8.829 359 3HB ALA 44 3HB ALA 44 -4.965 -9.174 -8.609 360 H GLU 45 H GLU 45 -3.435 -5.879 -7.232 361 HA GLU 45 HA GLU 45 -0.807 -6.184 -6.264 362 1HB GLU 45 2HB GLU 45 -2.533 -3.798 -6.851 363 2HB GLU 45 1HB GLU 45 -0.904 -3.608 -6.227 364 1HG GLU 45 2HG GLU 45 -0.025 -4.821 -8.146 365 2HG GLU 45 1HG GLU 45 -1.664 -5.021 -8.767 366 H LEU 46 H LEU 46 -3.669 -4.656 -4.806 367 HA LEU 46 HA LEU 46 -2.515 -3.872 -2.396 368 1HB LEU 46 2HB LEU 46 -5.356 -4.747 -2.951 369 2HB LEU 46 1HB LEU 46 -4.830 -3.857 -1.540 370 HG LEU 46 HG LEU 46 -4.708 -2.842 -4.376 371 1HD1 LEU 46 1HD1 LEU 46 -6.495 -1.333 -3.673 372 2HD1 LEU 46 2HD1 LEU 46 -6.538 -2.114 -2.093 373 3HD1 LEU 46 3HD1 LEU 46 -6.991 -3.021 -3.535 374 1HD2 LEU 46 1HD2 LEU 46 -4.129 -0.697 -3.340 375 2HD2 LEU 46 2HD2 LEU 46 -2.917 -1.932 -2.996 376 3HD2 LEU 46 3HD2 LEU 46 -4.087 -1.477 -1.757 377 H GLU 47 H GLU 47 -4.137 -6.892 -3.286 378 HA GLU 47 HA GLU 47 -3.934 -8.106 -0.758 379 1HB GLU 47 2HB GLU 47 -4.222 -9.278 -3.515 380 2HB GLU 47 1HB GLU 47 -4.233 -10.252 -2.050 381 1HG GLU 47 2HG GLU 47 -6.154 -8.911 -1.241 382 2HG GLU 47 1HG GLU 47 -6.177 -8.090 -2.800 383 H THR 48 H THR 48 -1.814 -8.207 -3.606 384 HA THR 48 HA THR 48 -0.032 -10.156 -2.673 385 HB THR 48 HB THR 48 0.496 -7.822 -4.529 386 HG1 THR 48 HG1 THR 48 -1.087 -9.269 -5.292 387 1HG2 THR 48 1HG2 THR 48 2.595 -8.738 -3.615 388 2HG2 THR 48 2HG2 THR 48 2.417 -9.088 -5.336 389 3HG2 THR 48 3HG2 THR 48 2.108 -10.350 -4.144 390 H TRP 49 H TRP 49 0.067 -6.609 -2.260 391 HA TRP 49 HA TRP 49 2.515 -6.527 -0.880 392 1HB TRP 49 2HB TRP 49 0.125 -4.681 -0.678 393 2HB TRP 49 1HB TRP 49 1.695 -4.350 0.044 394 HD1 TRP 49 HD1 TRP 49 3.174 -5.597 -2.732 395 HE1 TRP 49 HE1 TRP 49 3.386 -3.971 -4.713 396 HE3 TRP 49 HE3 TRP 49 -0.378 -2.192 -1.353 397 HZ2 TRP 49 HZ2 TRP 49 2.202 -1.560 -5.573 398 HZ3 TRP 49 HZ3 TRP 49 -0.775 -0.251 -2.812 399 HH2 TRP 49 HH2 TRP 49 0.490 0.058 -4.878 400 H TRP 50 H TRP 50 -0.792 -6.971 0.249 401 HA TRP 50 HA TRP 50 -0.208 -7.069 3.015 402 1HB TRP 50 2HB TRP 50 -2.472 -6.713 2.061 403 2HB TRP 50 1HB TRP 50 -2.476 -8.375 1.486 404 HD1 TRP 50 HD1 TRP 50 -3.219 -10.226 3.174 405 HE1 TRP 50 HE1 TRP 50 -4.065 -10.194 5.605 406 HE3 TRP 50 HE3 TRP 50 -2.109 -5.374 4.360 407 HZ2 TRP 50 HZ2 TRP 50 -4.234 -8.357 7.744 408 HZ3 TRP 50 HZ3 TRP 50 -2.643 -4.559 6.621 409 HH2 TRP 50 HH2 TRP 50 -3.685 -6.022 8.276 410 H GLU 51 H GLU 51 -0.487 -9.565 0.526 411 HA GLU 51 HA GLU 51 -0.092 -11.797 2.143 412 1HB GLU 51 2HB GLU 51 0.467 -11.267 -0.772 413 2HB GLU 51 1HB GLU 51 0.639 -12.844 -0.039 414 1HG GLU 51 2HG GLU 51 -1.715 -12.870 0.544 415 2HG GLU 51 1HG GLU 51 -1.904 -11.246 -0.113 416 H GLU 52 H GLU 52 2.215 -9.725 0.422 417 HA GLU 52 HA GLU 52 4.467 -11.308 1.155 418 1HB GLU 52 2HB GLU 52 4.211 -8.550 -0.008 419 2HB GLU 52 1HB GLU 52 5.769 -9.278 0.360 420 1HG GLU 52 2HG GLU 52 5.120 -11.194 -1.112 421 2HG GLU 52 1HG GLU 52 3.707 -10.261 -1.588 422 H LEU 53 H LEU 53 2.809 -8.592 2.600 423 HA LEU 53 HA LEU 53 4.925 -7.939 4.428 424 1HB LEU 53 2HB LEU 53 3.312 -6.263 3.672 425 2HB LEU 53 1HB LEU 53 2.007 -7.167 4.415 426 HG LEU 53 HG LEU 53 3.058 -6.776 6.639 427 1HD1 LEU 53 1HD1 LEU 53 4.795 -5.072 6.837 428 2HD1 LEU 53 2HD1 LEU 53 4.891 -4.960 5.079 429 3HD1 LEU 53 3HD1 LEU 53 5.353 -6.453 5.893 430 1HD2 LEU 53 1HD2 LEU 53 1.249 -5.350 5.831 431 2HD2 LEU 53 2HD2 LEU 53 2.421 -4.292 5.046 432 3HD2 LEU 53 3HD2 LEU 53 2.397 -4.431 6.804 433 H GLN 54 H GLN 54 1.933 -9.810 4.564 434 HA GLN 54 HA GLN 54 2.232 -10.261 7.392 435 1HB GLN 54 2HB GLN 54 0.162 -10.745 5.368 436 2HB GLN 54 1HB GLN 54 0.260 -11.975 6.620 437 1HG GLN 54 2HG GLN 54 -1.348 -10.237 7.197 438 2HG GLN 54 1HG GLN 54 -0.008 -10.275 8.341 439 1HE2 GLN 54 1HE2 GLN 54 -0.284 -8.164 9.019 440 2HE2 GLN 54 2HE2 GLN 54 0.076 -6.810 8.002 441 H LYS 55 H LYS 55 3.143 -11.962 4.477 442 HA LYS 55 HA LYS 55 3.610 -14.414 5.957 443 1HB LYS 55 2HB LYS 55 2.903 -14.426 3.541 444 2HB LYS 55 1HB LYS 55 4.492 -13.782 3.143 445 1HG LYS 55 2HG LYS 55 5.465 -15.803 4.293 446 2HG LYS 55 1HG LYS 55 3.826 -16.454 4.335 447 1HD LYS 55 2HD LYS 55 3.694 -16.389 1.922 448 2HD LYS 55 1HD LYS 55 5.274 -15.605 1.832 449 1HE LYS 55 2HE LYS 55 6.251 -17.611 2.945 450 2HE LYS 55 1HE LYS 55 4.676 -18.387 2.819 451 1HZ LYS 55 1HZ LYS 55 6.216 -17.384 0.488 452 2HZ LYS 55 2HZ LYS 55 4.808 -18.329 0.452 453 3HZ LYS 55 3HZ LYS 55 6.260 -18.985 1.035 454 H ASN 56 H ASN 56 5.215 -11.548 5.345 455 HA ASN 56 HA ASN 56 7.722 -12.675 6.371 456 1HB ASN 56 2HB ASN 56 8.082 -12.333 3.983 457 2HB ASN 56 1HB ASN 56 7.496 -10.686 4.098 458 1HD2 ASN 56 1HD2 ASN 56 8.798 -9.138 4.986 459 2HD2 ASN 56 2HD2 ASN 56 10.487 -9.385 5.252 460 HA PRO 57 HA PRO 57 6.575 -9.303 9.182 461 1HB PRO 57 2HB PRO 57 8.361 -10.116 11.103 462 2HB PRO 57 1HB PRO 57 6.710 -10.730 10.966 463 1HG PRO 57 2HG PRO 57 9.273 -11.947 10.026 464 2HG PRO 57 1HG PRO 57 7.871 -12.726 10.785 465 1HD PRO 57 2HD PRO 57 8.315 -12.847 8.128 466 2HD PRO 57 1HD PRO 57 6.675 -12.787 8.808 467 HA PRO 58 HA PRO 58 9.913 -6.721 7.671 468 1HB PRO 58 2HB PRO 58 8.825 -4.859 9.707 469 2HB PRO 58 1HB PRO 58 9.084 -4.611 7.978 470 1HG PRO 58 2HG PRO 58 6.628 -4.936 8.989 471 2HG PRO 58 1HG PRO 58 7.073 -5.588 7.400 472 1HD PRO 58 2HD PRO 58 6.760 -6.999 10.014 473 2HD PRO 58 1HD PRO 58 6.347 -7.551 8.377 474 H TYR 59 H TYR 59 11.906 -6.028 8.450 475 HA TYR 59 HA TYR 59 12.691 -7.235 10.961 476 1HB TYR 59 2HB TYR 59 14.113 -7.317 8.905 477 2HB TYR 59 1HB TYR 59 14.390 -5.590 9.083 478 HD1 TYR 59 HD1 TYR 59 14.756 -8.816 10.902 479 HD2 TYR 59 HD2 TYR 59 16.170 -4.833 10.398 480 HE1 TYR 59 HE1 TYR 59 16.636 -9.302 12.406 481 HE2 TYR 59 HE2 TYR 59 18.057 -5.307 11.906 482 HH TYR 59 HH TYR 59 18.701 -6.838 13.642 483 H GLU 60 H GLU 60 11.571 -6.058 12.406 484 HA GLU 60 HA GLU 60 11.664 -3.224 12.600 485 1HB GLU 60 2HB GLU 60 10.837 -5.329 14.610 486 2HB GLU 60 1HB GLU 60 10.575 -3.603 14.800 487 1HG GLU 60 2HG GLU 60 9.099 -3.554 12.914 488 2HG GLU 60 1HG GLU 60 9.462 -5.238 12.534 Start of MODEL 2 1 1H MET 1 1H MET 1 -8.374 -6.003 4.159 2 2H MET 1 2H MET 1 -8.054 -6.241 5.808 3 3H MET 1 3H MET 1 -7.583 -7.408 4.677 4 HA MET 1 HA MET 1 -5.678 -6.172 5.385 5 1HB MET 1 2HB MET 1 -4.841 -5.454 3.228 6 2HB MET 1 1HB MET 1 -5.799 -6.914 3.023 7 1HG MET 1 2HG MET 1 -7.602 -5.723 2.087 8 2HG MET 1 1HG MET 1 -6.930 -4.174 2.588 9 1HE MET 1 1HE MET 1 -8.001 -4.926 -0.396 10 2HE MET 1 2HE MET 1 -6.790 -4.075 -1.355 11 3HE MET 1 3HE MET 1 -7.459 -3.327 0.100 12 H ILE 2 H ILE 2 -4.514 -4.123 5.307 13 HA ILE 2 HA ILE 2 -6.313 -1.792 5.402 14 HB ILE 2 HB ILE 2 -3.717 -2.182 6.918 15 1HG1 ILE 2 2HG1 ILE 2 -5.345 -1.741 8.900 16 2HG1 ILE 2 1HG1 ILE 2 -6.610 -2.178 7.760 17 1HG2 ILE 2 1HG2 ILE 2 -3.927 0.114 6.188 18 2HG2 ILE 2 2HG2 ILE 2 -4.204 0.013 7.926 19 3HG2 ILE 2 3HG2 ILE 2 -5.569 0.195 6.824 20 1HD1 ILE 2 1HD1 ILE 2 -4.307 -3.928 8.588 21 2HD1 ILE 2 2HD1 ILE 2 -5.584 -4.367 7.455 22 3HD1 ILE 2 3HD1 ILE 2 -5.974 -4.064 9.148 23 H LEU 3 H LEU 3 -5.936 -0.259 3.923 24 HA LEU 3 HA LEU 3 -4.200 -0.694 1.793 25 1HB LEU 3 2HB LEU 3 -5.991 1.464 2.738 26 2HB LEU 3 1HB LEU 3 -4.804 1.894 1.545 27 HG LEU 3 HG LEU 3 -6.899 1.393 0.457 28 1HD1 LEU 3 1HD1 LEU 3 -6.170 -0.301 -1.114 29 2HD1 LEU 3 2HD1 LEU 3 -4.928 -0.842 0.015 30 3HD1 LEU 3 3HD1 LEU 3 -4.833 0.769 -0.698 31 1HD2 LEU 3 1HD2 LEU 3 -6.702 -1.306 1.788 32 2HD2 LEU 3 2HD2 LEU 3 -7.895 -0.844 0.576 33 3HD2 LEU 3 3HD2 LEU 3 -7.883 -0.045 2.148 34 H TYR 4 H TYR 4 -3.939 1.363 4.619 35 HA TYR 4 HA TYR 4 -1.792 2.967 3.915 36 1HB TYR 4 2HB TYR 4 -3.295 3.091 5.964 37 2HB TYR 4 1HB TYR 4 -2.256 1.870 6.684 38 HD1 TYR 4 HD1 TYR 4 -1.645 5.005 4.742 39 HD2 TYR 4 HD2 TYR 4 -0.864 2.777 8.275 40 HE1 TYR 4 HE1 TYR 4 -0.169 6.799 5.539 41 HE2 TYR 4 HE2 TYR 4 0.630 4.557 9.074 42 HH TYR 4 HH TYR 4 1.863 6.410 8.328 43 H ASP 5 H ASP 5 -1.746 -0.112 5.668 44 HA ASP 5 HA ASP 5 1.027 -0.312 5.963 45 1HB ASP 5 2HB ASP 5 -1.176 -2.364 5.910 46 2HB ASP 5 1HB ASP 5 0.504 -2.811 6.166 47 H ALA 6 H ALA 6 -1.116 -1.646 3.487 48 HA ALA 6 HA ALA 6 0.775 -3.050 2.002 49 1HB ALA 6 1HB ALA 6 -1.674 -1.637 0.951 50 2HB ALA 6 2HB ALA 6 -1.652 -3.242 1.679 51 3HB ALA 6 3HB ALA 6 -0.804 -2.954 0.160 52 H ILE 7 H ILE 7 -0.268 0.335 1.678 53 HA ILE 7 HA ILE 7 1.368 0.910 -0.568 54 HB ILE 7 HB ILE 7 0.276 2.842 1.493 55 1HG1 ILE 7 2HG1 ILE 7 -0.839 2.032 -1.201 56 2HG1 ILE 7 1HG1 ILE 7 -1.460 1.484 0.353 57 1HG2 ILE 7 1HG2 ILE 7 2.075 3.841 0.223 58 2HG2 ILE 7 2HG2 ILE 7 0.534 4.517 -0.309 59 3HG2 ILE 7 3HG2 ILE 7 1.347 3.296 -1.288 60 1HD1 ILE 7 1HD1 ILE 7 -1.399 4.337 -0.605 61 2HD1 ILE 7 2HD1 ILE 7 -2.059 3.766 0.929 62 3HD1 ILE 7 3HD1 ILE 7 -2.810 3.278 -0.588 63 H MET 8 H MET 8 1.822 1.387 2.917 64 HA MET 8 HA MET 8 4.261 2.804 2.702 65 1HB MET 8 2HB MET 8 3.020 1.249 4.966 66 2HB MET 8 1HB MET 8 4.537 2.116 5.133 67 1HG MET 8 2HG MET 8 2.151 3.579 4.122 68 2HG MET 8 1HG MET 8 2.258 3.195 5.837 69 1HE MET 8 1HE MET 8 5.099 6.017 3.533 70 2HE MET 8 2HE MET 8 3.688 5.205 2.854 71 3HE MET 8 3HE MET 8 5.141 4.280 3.233 72 H TYR 9 H TYR 9 3.502 -0.586 2.696 73 HA TYR 9 HA TYR 9 6.163 -1.475 3.273 74 1HB TYR 9 2HB TYR 9 4.269 -2.902 3.778 75 2HB TYR 9 1HB TYR 9 3.781 -2.915 2.089 76 HD1 TYR 9 HD1 TYR 9 4.306 -4.812 0.879 77 HD2 TYR 9 HD2 TYR 9 6.820 -3.719 4.136 78 HE1 TYR 9 HE1 TYR 9 5.645 -6.843 0.520 79 HE2 TYR 9 HE2 TYR 9 8.167 -5.748 3.783 80 HH TYR 9 HH TYR 9 7.771 -7.758 0.979 81 H LYS 10 H LYS 10 4.263 -0.995 0.329 82 HA LYS 10 HA LYS 10 6.389 -2.062 -1.320 83 1HB LYS 10 2HB LYS 10 3.757 -2.135 -1.641 84 2HB LYS 10 1HB LYS 10 4.045 -0.614 -2.472 85 1HG LYS 10 2HG LYS 10 5.524 -3.133 -3.173 86 2HG LYS 10 1HG LYS 10 3.969 -2.711 -3.889 87 1HD LYS 10 2HD LYS 10 4.948 -0.608 -4.711 88 2HD LYS 10 1HD LYS 10 6.504 -1.078 -4.022 89 1HE LYS 10 2HE LYS 10 6.644 -2.975 -5.493 90 2HE LYS 10 1HE LYS 10 5.009 -2.685 -6.090 91 1HZ LYS 10 1HZ LYS 10 7.249 -0.760 -6.405 92 2HZ LYS 10 2HZ LYS 10 5.716 -0.675 -7.129 93 3HZ LYS 10 3HZ LYS 10 6.806 -1.891 -7.588 94 H TYR 11 H TYR 11 5.056 1.095 -0.485 95 HA TYR 11 HA TYR 11 7.308 2.329 -1.924 96 1HB TYR 11 2HB TYR 11 4.476 3.390 -1.758 97 2HB TYR 11 1HB TYR 11 5.840 4.259 -2.448 98 HD1 TYR 11 HD1 TYR 11 7.005 3.239 -4.469 99 HD2 TYR 11 HD2 TYR 11 3.221 1.904 -3.066 100 HE1 TYR 11 HE1 TYR 11 6.577 2.184 -6.646 101 HE2 TYR 11 HE2 TYR 11 2.782 0.841 -5.241 102 HH TYR 11 HH TYR 11 3.502 0.987 -7.557 103 HA PRO 12 HA PRO 12 7.552 3.707 2.456 104 1HB PRO 12 2HB PRO 12 10.248 3.696 2.593 105 2HB PRO 12 1HB PRO 12 9.289 2.227 2.788 106 1HG PRO 12 2HG PRO 12 10.761 3.216 0.378 107 2HG PRO 12 1HG PRO 12 10.678 1.573 1.040 108 1HD PRO 12 2HD PRO 12 9.183 2.404 -1.077 109 2HD PRO 12 1HD PRO 12 8.650 1.145 0.056 110 H ASN 13 H ASN 13 8.880 4.859 -0.505 111 HA ASN 13 HA ASN 13 9.812 7.362 0.598 112 1HB ASN 13 2HB ASN 13 9.712 6.291 -2.225 113 2HB ASN 13 1HB ASN 13 10.343 7.874 -1.803 114 1HD2 ASN 13 1HD2 ASN 13 11.650 5.534 -3.008 115 2HD2 ASN 13 2HD2 ASN 13 13.000 5.180 -1.988 116 H ALA 14 H ALA 14 6.852 6.248 0.073 117 HA ALA 14 HA ALA 14 5.753 8.645 -1.175 118 1HB ALA 14 1HB ALA 14 4.813 6.465 -1.805 119 2HB ALA 14 2HB ALA 14 3.605 7.495 -1.035 120 3HB ALA 14 3HB ALA 14 4.353 6.184 -0.124 121 H VAL 15 H VAL 15 4.868 10.283 -0.029 122 HA VAL 15 HA VAL 15 5.177 10.153 2.860 123 HB VAL 15 HB VAL 15 4.433 12.551 1.182 124 1HG1 VAL 15 1HG1 VAL 15 3.884 12.767 3.541 125 2HG1 VAL 15 2HG1 VAL 15 5.224 13.828 3.107 126 3HG1 VAL 15 3HG1 VAL 15 5.537 12.327 3.976 127 1HG2 VAL 15 1HG2 VAL 15 6.593 11.660 0.463 128 2HG2 VAL 15 2HG2 VAL 15 7.164 11.682 2.132 129 3HG2 VAL 15 3HG2 VAL 15 6.787 13.195 1.306 130 H SER 16 H SER 16 3.517 9.378 3.958 131 HA SER 16 HA SER 16 0.799 9.712 3.093 132 1HB SER 16 2HB SER 16 0.310 8.590 5.306 133 2HB SER 16 1HB SER 16 1.329 7.666 4.205 134 HG SER 16 HG SER 16 1.978 7.898 6.536 135 H ARG 17 H ARG 17 -0.852 10.654 4.559 136 HA ARG 17 HA ARG 17 -1.740 12.431 5.664 137 1HB ARG 17 2HB ARG 17 0.961 12.398 7.018 138 2HB ARG 17 1HB ARG 17 -0.356 13.464 7.502 139 1HG ARG 17 2HG ARG 17 -1.738 11.580 8.070 140 2HG ARG 17 1HG ARG 17 -0.531 10.459 7.442 141 1HD ARG 17 2HD ARG 17 -0.011 12.360 9.720 142 2HD ARG 17 1HD ARG 17 -0.585 10.708 9.943 143 HE ARG 17 HE ARG 17 1.896 11.125 8.437 144 1HH1 ARG 17 1HH1 ARG 17 0.282 10.102 11.368 145 2HH1 ARG 17 2HH1 ARG 17 1.656 9.227 11.980 146 1HH2 ARG 17 1HH2 ARG 17 3.706 10.007 9.219 147 2HH2 ARG 17 2HH2 ARG 17 3.628 9.176 10.749 148 H LYS 18 H LYS 18 -0.134 12.648 3.204 149 HA LYS 18 HA LYS 18 -0.064 15.553 3.054 150 1HB LYS 18 2HB LYS 18 2.269 15.035 3.486 151 2HB LYS 18 1HB LYS 18 2.247 13.754 2.280 152 1HG LYS 18 2HG LYS 18 1.630 15.670 0.634 153 2HG LYS 18 1HG LYS 18 2.293 16.715 1.892 154 1HD LYS 18 2HD LYS 18 4.420 15.611 1.778 155 2HD LYS 18 1HD LYS 18 3.775 14.372 0.701 156 1HE LYS 18 2HE LYS 18 3.276 16.218 -0.934 157 2HE LYS 18 1HE LYS 18 4.211 17.288 0.108 158 1HZ LYS 18 1HZ LYS 18 5.599 16.461 -1.647 159 2HZ LYS 18 2HZ LYS 18 5.207 14.855 -1.275 160 3HZ LYS 18 3HZ LYS 18 6.118 15.776 -0.184 161 H ASP 19 H ASP 19 0.962 12.800 1.053 162 HA ASP 19 HA ASP 19 -0.641 13.810 -1.143 163 1HB ASP 19 2HB ASP 19 1.276 11.481 -0.957 164 2HB ASP 19 1HB ASP 19 0.400 11.919 -2.420 165 H PHE 20 H PHE 20 -0.352 10.749 0.691 166 HA PHE 20 HA PHE 20 -3.123 10.212 -0.115 167 1HB PHE 20 2HB PHE 20 -2.681 7.832 -0.075 168 2HB PHE 20 1HB PHE 20 -1.544 8.630 -1.149 169 HD1 PHE 20 HD1 PHE 20 0.824 8.963 -0.398 170 HD2 PHE 20 HD2 PHE 20 -1.955 6.573 1.772 171 HE1 PHE 20 HE1 PHE 20 2.686 7.853 0.767 172 HE2 PHE 20 HE2 PHE 20 -0.097 5.476 2.952 173 HZ PHE 20 HZ PHE 20 2.227 6.112 2.446 174 H GLU 21 H GLU 21 -4.582 9.975 1.390 175 HA GLU 21 HA GLU 21 -3.739 9.340 4.124 176 1HB GLU 21 2HB GLU 21 -5.632 11.489 3.208 177 2HB GLU 21 1HB GLU 21 -5.725 10.810 4.819 178 1HG GLU 21 2HG GLU 21 -4.341 12.486 5.353 179 2HG GLU 21 1HG GLU 21 -3.099 11.420 4.699 180 H LEU 22 H LEU 22 -5.579 8.530 5.452 181 HA LEU 22 HA LEU 22 -6.955 6.514 3.849 182 1HB LEU 22 2HB LEU 22 -6.621 6.632 6.834 183 2HB LEU 22 1HB LEU 22 -7.184 5.269 5.893 184 HG LEU 22 HG LEU 22 -4.396 6.407 5.743 185 1HD1 LEU 22 1HD1 LEU 22 -5.389 3.914 7.119 186 2HD1 LEU 22 2HD1 LEU 22 -4.916 5.403 7.936 187 3HD1 LEU 22 3HD1 LEU 22 -3.718 4.475 7.036 188 1HD2 LEU 22 1HD2 LEU 22 -5.109 5.305 3.687 189 2HD2 LEU 22 2HD2 LEU 22 -5.618 3.890 4.608 190 3HD2 LEU 22 3HD2 LEU 22 -3.911 4.324 4.531 191 H ARG 23 H ARG 23 -9.092 5.977 4.177 192 HA ARG 23 HA ARG 23 -10.700 7.724 5.904 193 1HB ARG 23 2HB ARG 23 -10.797 8.000 3.227 194 2HB ARG 23 1HB ARG 23 -11.970 6.709 3.426 195 1HG ARG 23 2HG ARG 23 -13.209 8.698 3.466 196 2HG ARG 23 1HG ARG 23 -13.087 8.192 5.151 197 1HD ARG 23 2HD ARG 23 -11.318 9.762 5.558 198 2HD ARG 23 1HD ARG 23 -11.242 10.183 3.850 199 HE ARG 23 HE ARG 23 -13.752 10.677 5.266 200 1HH1 ARG 23 1HH1 ARG 23 -10.810 11.948 3.847 201 2HH1 ARG 23 2HH1 ARG 23 -11.379 13.587 3.803 202 1HH2 ARG 23 1HH2 ARG 23 -14.506 12.834 5.207 203 2HH2 ARG 23 2HH2 ARG 23 -13.481 14.090 4.587 204 H ASN 24 H ASN 24 -12.691 6.642 6.638 205 HA ASN 24 HA ASN 24 -12.137 3.807 6.974 206 1HB ASN 24 2HB ASN 24 -12.684 5.183 8.955 207 2HB ASN 24 1HB ASN 24 -14.279 5.498 8.276 208 1HD2 ASN 24 1HD2 ASN 24 -15.268 4.528 10.066 209 2HD2 ASN 24 2HD2 ASN 24 -15.286 2.816 10.268 210 H ASP 25 H ASP 25 -13.011 2.334 5.751 211 HA ASP 25 HA ASP 25 -15.397 2.923 4.171 212 1HB ASP 25 2HB ASP 25 -13.562 1.863 2.994 213 2HB ASP 25 1HB ASP 25 -13.485 0.577 4.191 214 H GLY 26 H GLY 26 -14.405 1.281 6.999 215 1HA GLY 26 2HA GLY 26 -16.112 0.563 8.580 216 2HA GLY 26 1HA GLY 26 -17.044 -0.025 7.206 217 H ASN 27 H ASN 27 -15.231 -1.393 5.751 218 HA ASN 27 HA ASN 27 -14.669 -3.675 7.469 219 1HB ASN 27 2HB ASN 27 -15.854 -3.931 5.273 220 2HB ASN 27 1HB ASN 27 -14.373 -3.436 4.464 221 1HD2 ASN 27 1HD2 ASN 27 -12.771 -4.909 4.160 222 2HD2 ASN 27 2HD2 ASN 27 -12.877 -6.567 4.647 223 H GLY 28 H GLY 28 -13.112 -0.967 6.516 224 1HA GLY 28 2HA GLY 28 -10.669 -1.537 7.640 225 2HA GLY 28 1HA GLY 28 -10.503 -1.940 5.934 226 H SER 29 H SER 29 -8.849 -0.080 6.594 227 HA SER 29 HA SER 29 -10.070 2.531 6.083 228 1HB SER 29 2HB SER 29 -7.168 1.911 6.694 229 2HB SER 29 1HB SER 29 -7.974 3.478 6.797 230 HG SER 29 HG SER 29 -9.382 1.989 8.357 231 H TYR 30 H TYR 30 -10.141 3.268 4.043 232 HA TYR 30 HA TYR 30 -8.354 1.997 2.077 233 1HB TYR 30 2HB TYR 30 -10.045 2.336 0.397 234 2HB TYR 30 1HB TYR 30 -10.797 1.558 1.782 235 HD1 TYR 30 HD1 TYR 30 -12.120 3.061 3.401 236 HD2 TYR 30 HD2 TYR 30 -10.928 4.304 -0.484 237 HE1 TYR 30 HE1 TYR 30 -13.851 4.806 3.434 238 HE2 TYR 30 HE2 TYR 30 -12.647 6.060 -0.456 239 HH TYR 30 HH TYR 30 -14.834 6.477 0.689 240 H ILE 31 H ILE 31 -8.381 3.543 -0.012 241 HA ILE 31 HA ILE 31 -6.973 5.928 0.905 242 HB ILE 31 HB ILE 31 -7.236 4.908 -1.928 243 1HG1 ILE 31 2HG1 ILE 31 -4.979 4.359 0.012 244 2HG1 ILE 31 1HG1 ILE 31 -6.242 3.202 -0.379 245 1HG2 ILE 31 1HG2 ILE 31 -5.182 6.208 -2.292 246 2HG2 ILE 31 2HG2 ILE 31 -5.249 6.759 -0.618 247 3HG2 ILE 31 3HG2 ILE 31 -6.522 7.218 -1.748 248 1HD1 ILE 31 1HD1 ILE 31 -4.246 4.361 -2.300 249 2HD1 ILE 31 2HD1 ILE 31 -5.536 3.237 -2.726 250 3HD1 ILE 31 3HD1 ILE 31 -4.242 2.726 -1.641 251 H GLU 32 H GLU 32 -7.935 7.851 0.930 252 HA GLU 32 HA GLU 32 -10.096 8.350 -1.018 253 1HB GLU 32 2HB GLU 32 -10.685 8.228 1.490 254 2HB GLU 32 1HB GLU 32 -9.855 9.768 1.631 255 1HG GLU 32 2HG GLU 32 -12.131 9.312 -0.273 256 2HG GLU 32 1HG GLU 32 -12.369 9.828 1.394 257 H LYS 33 H LYS 33 -7.678 9.990 1.018 258 HA LYS 33 HA LYS 33 -7.355 12.139 -0.869 259 1HB LYS 33 2HB LYS 33 -6.247 11.411 1.773 260 2HB LYS 33 1HB LYS 33 -5.154 12.298 0.722 261 1HG LYS 33 2HG LYS 33 -7.934 13.254 1.330 262 2HG LYS 33 1HG LYS 33 -6.542 13.657 2.326 263 1HD LYS 33 2HD LYS 33 -6.454 14.124 -0.609 264 2HD LYS 33 1HD LYS 33 -7.299 15.264 0.434 265 1HE LYS 33 2HE LYS 33 -5.088 16.077 0.154 266 2HE LYS 33 1HE LYS 33 -5.198 15.442 1.790 267 1HZ LYS 33 1HZ LYS 33 -4.025 13.949 -0.499 268 2HZ LYS 33 2HZ LYS 33 -3.992 13.498 1.140 269 3HZ LYS 33 3HZ LYS 33 -3.121 14.848 0.616 270 H TRP 34 H TRP 34 -6.385 11.776 -2.753 271 HA TRP 34 HA TRP 34 -3.831 10.333 -2.702 272 1HB TRP 34 2HB TRP 34 -5.665 8.880 -3.635 273 2HB TRP 34 1HB TRP 34 -5.893 10.071 -4.908 274 HD1 TRP 34 HD1 TRP 34 -4.321 9.924 -6.984 275 HE1 TRP 34 HE1 TRP 34 -2.416 8.336 -7.685 276 HE3 TRP 34 HE3 TRP 34 -3.633 7.475 -2.547 277 HZ2 TRP 34 HZ2 TRP 34 -0.835 6.327 -6.511 278 HZ3 TRP 34 HZ3 TRP 34 -1.897 5.738 -2.419 279 HH2 TRP 34 HH2 TRP 34 -0.526 5.175 -4.362 280 H ASN 35 H ASN 35 -2.401 11.865 -3.117 281 HA ASN 35 HA ASN 35 -3.013 13.859 -5.197 282 1HB ASN 35 2HB ASN 35 -1.233 14.161 -2.765 283 2HB ASN 35 1HB ASN 35 -1.446 15.370 -4.016 284 1HD2 ASN 35 1HD2 ASN 35 -2.240 16.917 -2.662 285 2HD2 ASN 35 2HD2 ASN 35 -3.796 16.821 -1.911 286 H LEU 36 H LEU 36 -1.412 11.129 -4.792 287 HA LEU 36 HA LEU 36 1.245 11.817 -5.589 288 1HB LEU 36 2HB LEU 36 -0.241 9.204 -5.433 289 2HB LEU 36 1HB LEU 36 1.397 9.313 -6.042 290 HG LEU 36 HG LEU 36 0.558 10.163 -3.280 291 1HD1 LEU 36 1HD1 LEU 36 1.961 7.657 -4.185 292 2HD1 LEU 36 2HD1 LEU 36 0.314 7.754 -3.564 293 3HD1 LEU 36 3HD1 LEU 36 1.677 8.134 -2.510 294 1HD2 LEU 36 1HD2 LEU 36 2.519 11.345 -4.136 295 2HD2 LEU 36 2HD2 LEU 36 3.283 9.804 -4.521 296 3HD2 LEU 36 3HD2 LEU 36 2.958 10.232 -2.841 297 H ARG 37 H ARG 37 2.180 11.727 -7.560 298 HA ARG 37 HA ARG 37 0.457 11.966 -9.856 299 1HB ARG 37 2HB ARG 37 3.456 12.096 -9.503 300 2HB ARG 37 1HB ARG 37 2.651 12.329 -11.049 301 1HG ARG 37 2HG ARG 37 1.627 14.318 -10.346 302 2HG ARG 37 1HG ARG 37 1.968 13.988 -8.647 303 1HD ARG 37 2HD ARG 37 3.432 15.732 -9.624 304 2HD ARG 37 1HD ARG 37 4.319 14.348 -8.988 305 HE ARG 37 HE ARG 37 3.712 14.324 -11.841 306 1HH1 ARG 37 1HH1 ARG 37 6.035 15.044 -9.311 307 2HH1 ARG 37 2HH1 ARG 37 7.414 14.919 -10.367 308 1HH2 ARG 37 1HH2 ARG 37 5.525 14.166 -13.235 309 2HH2 ARG 37 2HH2 ARG 37 7.127 14.389 -12.586 310 H ALA 38 H ALA 38 0.069 9.502 -8.885 311 HA ALA 38 HA ALA 38 1.163 7.761 -10.959 312 1HB ALA 38 1HB ALA 38 1.708 6.004 -9.337 313 2HB ALA 38 2HB ALA 38 1.299 7.098 -8.018 314 3HB ALA 38 3HB ALA 38 2.676 7.452 -9.060 315 HA PRO 39 HA PRO 39 -3.056 6.404 -10.927 316 1HB PRO 39 2HB PRO 39 -2.805 4.044 -12.231 317 2HB PRO 39 1HB PRO 39 -2.651 5.602 -13.051 318 1HG PRO 39 2HG PRO 39 -0.514 3.744 -12.090 319 2HG PRO 39 1HG PRO 39 -0.601 4.663 -13.604 320 1HD PRO 39 2HD PRO 39 0.887 5.448 -11.462 321 2HD PRO 39 1HD PRO 39 0.180 6.586 -12.626 322 H LEU 40 H LEU 40 -4.471 4.909 -9.962 323 HA LEU 40 HA LEU 40 -3.519 3.698 -7.577 324 1HB LEU 40 2HB LEU 40 -6.170 3.816 -8.977 325 2HB LEU 40 1HB LEU 40 -5.946 2.765 -7.601 326 HG LEU 40 HG LEU 40 -6.965 4.788 -6.834 327 1HD1 LEU 40 1HD1 LEU 40 -5.317 5.580 -5.202 328 2HD1 LEU 40 2HD1 LEU 40 -4.043 4.760 -6.104 329 3HD1 LEU 40 3HD1 LEU 40 -5.325 3.821 -5.338 330 1HD2 LEU 40 1HD2 LEU 40 -6.328 6.248 -8.682 331 2HD2 LEU 40 2HD2 LEU 40 -4.664 6.268 -8.099 332 3HD2 LEU 40 3HD2 LEU 40 -5.948 6.982 -7.124 333 HA PRO 41 HA PRO 41 -2.682 -0.394 -9.218 334 1HB PRO 41 2HB PRO 41 -2.325 -1.647 -6.866 335 2HB PRO 41 1HB PRO 41 -1.128 -0.518 -7.513 336 1HG PRO 41 2HG PRO 41 -3.217 -0.071 -5.417 337 2HG PRO 41 1HG PRO 41 -1.525 0.458 -5.441 338 1HD PRO 41 2HD PRO 41 -3.621 2.081 -6.087 339 2HD PRO 41 1HD PRO 41 -1.988 2.281 -6.751 340 H THR 42 H THR 42 -3.437 -2.726 -8.431 341 HA THR 42 HA THR 42 -6.373 -2.534 -8.454 342 HB THR 42 HB THR 42 -6.299 -4.915 -9.230 343 HG1 THR 42 HG1 THR 42 -3.494 -4.410 -9.492 344 1HG2 THR 42 1HG2 THR 42 -6.510 -3.105 -10.844 345 2HG2 THR 42 2HG2 THR 42 -5.492 -4.388 -11.499 346 3HG2 THR 42 3HG2 THR 42 -4.757 -2.909 -10.880 347 H GLN 43 H GLN 43 -7.564 -4.338 -7.331 348 HA GLN 43 HA GLN 43 -7.022 -4.265 -4.575 349 1HB GLN 43 2HB GLN 43 -9.233 -4.781 -5.828 350 2HB GLN 43 1HB GLN 43 -8.653 -6.439 -5.853 351 1HG GLN 43 2HG GLN 43 -8.363 -6.158 -3.317 352 2HG GLN 43 1HG GLN 43 -9.404 -4.749 -3.502 353 1HE2 GLN 43 1HE2 GLN 43 -9.211 -8.181 -3.462 354 2HE2 GLN 43 2HE2 GLN 43 -10.910 -8.483 -3.591 355 H ALA 44 H ALA 44 -6.572 -6.805 -6.993 356 HA ALA 44 HA ALA 44 -5.530 -8.804 -5.362 357 1HB ALA 44 1HB ALA 44 -6.145 -9.141 -7.716 358 2HB ALA 44 2HB ALA 44 -4.522 -9.734 -7.367 359 3HB ALA 44 3HB ALA 44 -4.737 -8.199 -8.210 360 H GLU 45 H GLU 45 -3.823 -6.237 -7.109 361 HA GLU 45 HA GLU 45 -1.229 -6.815 -6.290 362 1HB GLU 45 2HB GLU 45 -2.653 -4.324 -7.133 363 2HB GLU 45 1HB GLU 45 -0.999 -4.210 -6.573 364 1HG GLU 45 2HG GLU 45 -0.282 -5.746 -8.314 365 2HG GLU 45 1HG GLU 45 -1.954 -5.923 -8.850 366 H LEU 46 H LEU 46 -3.582 -4.605 -4.803 367 HA LEU 46 HA LEU 46 -2.066 -3.701 -2.674 368 1HB LEU 46 2HB LEU 46 -5.027 -4.256 -2.809 369 2HB LEU 46 1HB LEU 46 -4.246 -3.299 -1.572 370 HG LEU 46 HG LEU 46 -4.142 -2.588 -4.493 371 1HD1 LEU 46 1HD1 LEU 46 -6.456 -2.583 -3.817 372 2HD1 LEU 46 2HD1 LEU 46 -5.879 -0.922 -3.968 373 3HD1 LEU 46 3HD1 LEU 46 -6.064 -1.653 -2.373 374 1HD2 LEU 46 1HD2 LEU 46 -3.531 -0.382 -3.630 375 2HD2 LEU 46 2HD2 LEU 46 -2.380 -1.620 -3.127 376 3HD2 LEU 46 3HD2 LEU 46 -3.580 -1.014 -1.984 377 H GLU 47 H GLU 47 -4.266 -6.494 -2.780 378 HA GLU 47 HA GLU 47 -3.844 -7.227 -0.091 379 1HB GLU 47 2HB GLU 47 -4.887 -8.845 -2.409 380 2HB GLU 47 1HB GLU 47 -4.915 -9.380 -0.733 381 1HG GLU 47 2HG GLU 47 -6.273 -7.397 -0.171 382 2HG GLU 47 1HG GLU 47 -6.321 -6.988 -1.882 383 H THR 48 H THR 48 -2.202 -8.096 -3.074 384 HA THR 48 HA THR 48 -0.761 -10.311 -2.032 385 HB THR 48 HB THR 48 0.058 -8.459 -4.294 386 HG1 THR 48 HG1 THR 48 -1.867 -9.280 -4.919 387 1HG2 THR 48 1HG2 THR 48 1.867 -9.920 -3.508 388 2HG2 THR 48 2HG2 THR 48 1.311 -10.398 -5.111 389 3HG2 THR 48 3HG2 THR 48 0.815 -11.324 -3.695 390 H TRP 49 H TRP 49 -0.082 -6.836 -2.152 391 HA TRP 49 HA TRP 49 2.527 -7.022 -1.059 392 1HB TRP 49 2HB TRP 49 0.546 -4.735 -0.996 393 2HB TRP 49 1HB TRP 49 2.238 -4.610 -0.522 394 HD1 TRP 49 HD1 TRP 49 3.446 -6.336 -2.962 395 HE1 TRP 49 HE1 TRP 49 3.516 -5.288 -5.309 396 HE3 TRP 49 HE3 TRP 49 -0.115 -2.724 -2.331 397 HZ2 TRP 49 HZ2 TRP 49 2.227 -3.200 -6.706 398 HZ3 TRP 49 HZ3 TRP 49 -0.634 -1.242 -4.223 399 HH2 TRP 49 HH2 TRP 49 0.512 -1.473 -6.365 400 H TRP 50 H TRP 50 -0.681 -6.648 0.374 401 HA TRP 50 HA TRP 50 0.098 -6.473 3.066 402 1HB TRP 50 2HB TRP 50 -2.192 -6.031 2.395 403 2HB TRP 50 1HB TRP 50 -2.383 -7.681 1.813 404 HD1 TRP 50 HD1 TRP 50 -3.357 -9.379 3.487 405 HE1 TRP 50 HE1 TRP 50 -3.878 -9.371 6.011 406 HE3 TRP 50 HE3 TRP 50 -1.198 -4.915 4.750 407 HZ2 TRP 50 HZ2 TRP 50 -3.429 -7.691 8.237 408 HZ3 TRP 50 HZ3 TRP 50 -1.288 -4.186 7.098 409 HH2 TRP 50 HH2 TRP 50 -2.380 -5.546 8.800 410 H GLU 51 H GLU 51 -0.591 -9.277 1.016 411 HA GLU 51 HA GLU 51 -0.145 -11.281 2.909 412 1HB GLU 51 2HB GLU 51 0.124 -11.203 -0.092 413 2HB GLU 51 1HB GLU 51 0.298 -12.671 0.833 414 1HG GLU 51 2HG GLU 51 -2.003 -12.250 1.750 415 2HG GLU 51 1HG GLU 51 -2.142 -10.959 0.557 416 H GLU 52 H GLU 52 2.091 -9.782 0.578 417 HA GLU 52 HA GLU 52 4.345 -11.283 1.338 418 1HB GLU 52 2HB GLU 52 4.077 -8.578 0.039 419 2HB GLU 52 1HB GLU 52 5.637 -9.336 0.336 420 1HG GLU 52 2HG GLU 52 4.971 -11.245 -1.026 421 2HG GLU 52 1HG GLU 52 3.408 -10.486 -1.319 422 H LEU 53 H LEU 53 3.107 -8.174 2.488 423 HA LEU 53 HA LEU 53 5.161 -7.499 4.250 424 1HB LEU 53 2HB LEU 53 3.478 -5.891 3.774 425 2HB LEU 53 1HB LEU 53 2.199 -6.961 4.310 426 HG LEU 53 HG LEU 53 3.060 -6.750 6.645 427 1HD1 LEU 53 1HD1 LEU 53 4.610 -4.902 7.136 428 2HD1 LEU 53 2HD1 LEU 53 4.855 -4.664 5.405 429 3HD1 LEU 53 3HD1 LEU 53 5.366 -6.170 6.168 430 1HD2 LEU 53 1HD2 LEU 53 2.203 -4.484 6.993 431 2HD2 LEU 53 2HD2 LEU 53 1.201 -5.385 5.856 432 3HD2 LEU 53 3HD2 LEU 53 2.330 -4.169 5.260 433 H GLN 54 H GLN 54 2.321 -9.542 4.746 434 HA GLN 54 HA GLN 54 2.805 -9.842 7.546 435 1HB GLN 54 2HB GLN 54 0.598 -10.087 6.078 436 2HB GLN 54 1HB GLN 54 1.090 -11.775 6.089 437 1HG GLN 54 2HG GLN 54 -0.448 -11.357 7.889 438 2HG GLN 54 1HG GLN 54 1.151 -11.730 8.538 439 1HE2 GLN 54 1HE2 GLN 54 0.897 -10.689 10.459 440 2HE2 GLN 54 2HE2 GLN 54 0.737 -8.973 10.610 441 H LYS 55 H LYS 55 3.569 -11.677 4.660 442 HA LYS 55 HA LYS 55 4.545 -13.950 6.163 443 1HB LYS 55 2HB LYS 55 3.451 -14.164 3.927 444 2HB LYS 55 1HB LYS 55 4.853 -13.370 3.220 445 1HG LYS 55 2HG LYS 55 6.247 -15.224 4.208 446 2HG LYS 55 1HG LYS 55 4.729 -16.048 4.574 447 1HD LYS 55 2HD LYS 55 4.129 -16.070 2.236 448 2HD LYS 55 1HD LYS 55 5.562 -15.125 1.832 449 1HE LYS 55 2HE LYS 55 5.539 -17.909 2.988 450 2HE LYS 55 1HE LYS 55 5.884 -17.489 1.312 451 1HZ LYS 55 1HZ LYS 55 7.789 -16.148 2.178 452 2HZ LYS 55 2HZ LYS 55 7.944 -17.820 2.412 453 3HZ LYS 55 3HZ LYS 55 7.509 -16.821 3.710 454 H ASN 56 H ASN 56 5.785 -10.972 5.530 455 HA ASN 56 HA ASN 56 8.526 -11.871 5.011 456 1HB ASN 56 2HB ASN 56 7.386 -9.949 3.722 457 2HB ASN 56 1HB ASN 56 7.608 -9.002 5.178 458 1HD2 ASN 56 1HD2 ASN 56 9.638 -8.361 5.754 459 2HD2 ASN 56 2HD2 ASN 56 10.987 -8.469 4.679 460 HA PRO 57 HA PRO 57 9.887 -11.199 9.242 461 1HB PRO 57 2HB PRO 57 12.404 -10.373 7.893 462 2HB PRO 57 1HB PRO 57 12.146 -11.598 9.138 463 1HG PRO 57 2HG PRO 57 12.633 -12.301 6.619 464 2HG PRO 57 1HG PRO 57 11.466 -13.202 7.608 465 1HD PRO 57 2HD PRO 57 10.972 -11.172 5.465 466 2HD PRO 57 1HD PRO 57 10.101 -12.679 5.810 467 HA PRO 58 HA PRO 58 9.731 -6.806 9.888 468 1HB PRO 58 2HB PRO 58 11.445 -6.459 11.973 469 2HB PRO 58 1HB PRO 58 9.841 -7.178 12.153 470 1HG PRO 58 2HG PRO 58 12.506 -8.517 11.949 471 2HG PRO 58 1HG PRO 58 11.142 -8.890 13.020 472 1HD PRO 58 2HD PRO 58 11.653 -10.313 10.776 473 2HD PRO 58 1HD PRO 58 10.007 -10.049 11.382 474 H TYR 59 H TYR 59 11.147 -4.830 10.135 475 HA TYR 59 HA TYR 59 13.125 -4.795 8.072 476 1HB TYR 59 2HB TYR 59 11.620 -2.879 8.692 477 2HB TYR 59 1HB TYR 59 12.577 -2.662 10.149 478 HD1 TYR 59 HD1 TYR 59 15.006 -1.985 9.910 479 HD2 TYR 59 HD2 TYR 59 12.307 -1.991 6.621 480 HE1 TYR 59 HE1 TYR 59 16.518 -0.494 8.672 481 HE2 TYR 59 HE2 TYR 59 13.819 -0.504 5.373 482 HH TYR 59 HH TYR 59 17.015 0.084 6.306 483 H GLU 60 H GLU 60 14.930 -5.870 8.424 484 HA GLU 60 HA GLU 60 16.021 -6.384 10.969 485 1HB GLU 60 2HB GLU 60 17.233 -6.665 8.215 486 2HB GLU 60 1HB GLU 60 17.917 -7.342 9.688 487 1HG GLU 60 2HG GLU 60 15.982 -8.746 9.999 488 2HG GLU 60 1HG GLU 60 15.179 -7.996 8.622 Start of MODEL 3 1 1H MET 1 1H MET 1 -9.385 -3.773 6.148 2 2H MET 1 2H MET 1 -9.374 -5.238 5.303 3 3H MET 1 3H MET 1 -8.904 -3.808 4.526 4 HA MET 1 HA MET 1 -7.499 -5.074 6.806 5 1HB MET 1 2HB MET 1 -5.737 -5.604 5.172 6 2HB MET 1 1HB MET 1 -7.254 -6.389 4.765 7 1HG MET 1 2HG MET 1 -7.690 -4.611 3.112 8 2HG MET 1 1HG MET 1 -6.113 -3.921 3.486 9 1HE MET 1 1HE MET 1 -5.625 -5.493 -0.083 10 2HE MET 1 2HE MET 1 -5.599 -4.016 0.876 11 3HE MET 1 3HE MET 1 -7.133 -4.817 0.528 12 H ILE 2 H ILE 2 -5.333 -4.103 7.145 13 HA ILE 2 HA ILE 2 -5.614 -1.242 7.195 14 HB ILE 2 HB ILE 2 -3.287 -2.929 8.093 15 1HG1 ILE 2 2HG1 ILE 2 -4.221 -2.180 10.409 16 2HG1 ILE 2 1HG1 ILE 2 -5.719 -1.895 9.527 17 1HG2 ILE 2 1HG2 ILE 2 -2.569 -0.957 9.342 18 2HG2 ILE 2 2HG2 ILE 2 -3.898 -0.035 8.639 19 3HG2 ILE 2 3HG2 ILE 2 -2.611 -0.655 7.605 20 1HD1 ILE 2 1HD1 ILE 2 -5.757 -4.240 8.850 21 2HD1 ILE 2 2HD1 ILE 2 -5.729 -4.065 10.603 22 3HD1 ILE 2 3HD1 ILE 2 -4.260 -4.519 9.738 23 H LEU 3 H LEU 3 -5.329 -0.246 5.356 24 HA LEU 3 HA LEU 3 -3.551 -1.048 3.295 25 1HB LEU 3 2HB LEU 3 -5.630 0.853 3.688 26 2HB LEU 3 1HB LEU 3 -4.236 1.694 3.049 27 HG LEU 3 HG LEU 3 -5.680 1.021 1.249 28 1HD1 LEU 3 1HD1 LEU 3 -4.116 -0.284 -0.111 29 2HD1 LEU 3 2HD1 LEU 3 -3.196 -0.682 1.341 30 3HD1 LEU 3 3HD1 LEU 3 -3.295 0.992 0.790 31 1HD2 LEU 3 1HD2 LEU 3 -5.338 -1.786 2.290 32 2HD2 LEU 3 2HD2 LEU 3 -6.124 -1.349 0.773 33 3HD2 LEU 3 3HD2 LEU 3 -6.823 -0.834 2.307 34 H TYR 4 H TYR 4 -3.340 1.101 6.001 35 HA TYR 4 HA TYR 4 -1.406 2.904 5.248 36 1HB TYR 4 2HB TYR 4 -2.676 2.963 7.380 37 2HB TYR 4 1HB TYR 4 -1.697 1.631 7.979 38 HD1 TYR 4 HD1 TYR 4 0.678 1.999 8.553 39 HD2 TYR 4 HD2 TYR 4 -1.827 5.210 7.320 40 HE1 TYR 4 HE1 TYR 4 2.310 3.607 9.441 41 HE2 TYR 4 HE2 TYR 4 -0.192 6.823 8.199 42 HH TYR 4 HH TYR 4 2.944 6.032 8.972 43 H ASP 5 H ASP 5 -0.840 -0.205 6.897 44 HA ASP 5 HA ASP 5 1.970 -0.007 6.843 45 1HB ASP 5 2HB ASP 5 0.037 -2.259 7.252 46 2HB ASP 5 1HB ASP 5 1.752 -2.601 7.080 47 H ALA 6 H ALA 6 -0.318 -1.582 4.672 48 HA ALA 6 HA ALA 6 1.493 -2.836 2.955 49 1HB ALA 6 1HB ALA 6 -1.230 -1.716 2.285 50 2HB ALA 6 2HB ALA 6 -0.908 -3.306 2.979 51 3HB ALA 6 3HB ALA 6 -0.342 -2.923 1.353 52 H ILE 7 H ILE 7 0.088 0.428 2.787 53 HA ILE 7 HA ILE 7 1.249 1.177 0.337 54 HB ILE 7 HB ILE 7 0.521 2.935 2.689 55 1HG1 ILE 7 2HG1 ILE 7 -1.073 2.276 0.201 56 2HG1 ILE 7 1HG1 ILE 7 -1.331 1.540 1.779 57 1HG2 ILE 7 1HG2 ILE 7 0.998 3.654 -0.203 58 2HG2 ILE 7 2HG2 ILE 7 2.034 4.074 1.161 59 3HG2 ILE 7 3HG2 ILE 7 0.409 4.752 1.045 60 1HD1 ILE 7 1HD1 ILE 7 -1.890 3.709 2.716 61 2HD1 ILE 7 2HD1 ILE 7 -2.934 3.315 1.351 62 3HD1 ILE 7 3HD1 ILE 7 -1.612 4.461 1.150 63 H MET 8 H MET 8 2.405 1.452 3.665 64 HA MET 8 HA MET 8 4.772 2.886 3.078 65 1HB MET 8 2HB MET 8 4.172 1.058 5.410 66 2HB MET 8 1HB MET 8 5.536 2.162 5.317 67 1HG MET 8 2HG MET 8 2.682 3.081 5.166 68 2HG MET 8 1HG MET 8 3.557 2.910 6.684 69 1HE MET 8 1HE MET 8 2.698 5.115 3.733 70 2HE MET 8 2HE MET 8 4.208 4.529 3.042 71 3HE MET 8 3HE MET 8 4.064 6.213 3.538 72 H TYR 9 H TYR 9 3.919 -0.442 2.779 73 HA TYR 9 HA TYR 9 6.559 -1.506 2.794 74 1HB TYR 9 2HB TYR 9 4.703 -2.976 3.251 75 2HB TYR 9 1HB TYR 9 3.955 -2.594 1.705 76 HD1 TYR 9 HD1 TYR 9 7.036 -4.129 3.161 77 HD2 TYR 9 HD2 TYR 9 4.341 -3.980 -0.137 78 HE1 TYR 9 HE1 TYR 9 8.197 -6.038 2.127 79 HE2 TYR 9 HE2 TYR 9 5.494 -5.887 -1.173 80 HH TYR 9 HH TYR 9 7.622 -6.994 -1.132 81 H LYS 10 H LYS 10 4.334 -0.528 0.190 82 HA LYS 10 HA LYS 10 6.385 -1.115 -1.785 83 1HB LYS 10 2HB LYS 10 3.965 -1.610 -2.207 84 2HB LYS 10 1HB LYS 10 3.669 0.122 -2.255 85 1HG LYS 10 2HG LYS 10 5.307 0.286 -4.128 86 2HG LYS 10 1HG LYS 10 5.403 -1.474 -4.132 87 1HD LYS 10 2HD LYS 10 2.986 -1.586 -4.571 88 2HD LYS 10 1HD LYS 10 2.925 0.176 -4.604 89 1HE LYS 10 2HE LYS 10 4.601 0.095 -6.480 90 2HE LYS 10 1HE LYS 10 4.368 -1.654 -6.516 91 1HZ LYS 10 1HZ LYS 10 2.951 -0.670 -8.145 92 2HZ LYS 10 2HZ LYS 10 2.321 0.432 -7.026 93 3HZ LYS 10 3HZ LYS 10 1.963 -1.220 -6.878 94 H TYR 11 H TYR 11 4.756 1.731 -0.451 95 HA TYR 11 HA TYR 11 6.733 3.404 -1.863 96 1HB TYR 11 2HB TYR 11 3.994 4.286 -0.938 97 2HB TYR 11 1HB TYR 11 5.126 5.202 -1.921 98 HD1 TYR 11 HD1 TYR 11 5.762 4.058 -4.228 99 HD2 TYR 11 HD2 TYR 11 2.264 3.172 -1.964 100 HE1 TYR 11 HE1 TYR 11 4.667 3.200 -6.261 101 HE2 TYR 11 HE2 TYR 11 1.165 2.306 -3.984 102 HH TYR 11 HH TYR 11 1.371 2.634 -6.483 103 HA PRO 12 HA PRO 12 7.602 3.906 2.641 104 1HB PRO 12 2HB PRO 12 10.330 4.384 1.684 105 2HB PRO 12 1HB PRO 12 9.741 3.188 2.835 106 1HG PRO 12 2HG PRO 12 10.610 2.495 0.385 107 2HG PRO 12 1HG PRO 12 9.295 1.628 1.200 108 1HD PRO 12 2HD PRO 12 9.148 3.710 -0.948 109 2HD PRO 12 1HD PRO 12 8.225 2.199 -0.780 110 H ASN 13 H ASN 13 8.404 5.852 -0.150 111 HA ASN 13 HA ASN 13 9.143 8.140 1.493 112 1HB ASN 13 2HB ASN 13 9.225 7.609 -1.470 113 2HB ASN 13 1HB ASN 13 9.529 9.202 -0.792 114 1HD2 ASN 13 1HD2 ASN 13 11.295 7.394 -2.271 115 2HD2 ASN 13 2HD2 ASN 13 12.665 7.134 -1.242 116 H ALA 14 H ALA 14 6.276 6.965 0.888 117 HA ALA 14 HA ALA 14 5.007 9.473 0.061 118 1HB ALA 14 1HB ALA 14 3.802 6.762 0.619 119 2HB ALA 14 2HB ALA 14 4.187 7.413 -0.972 120 3HB ALA 14 3HB ALA 14 2.927 8.164 0.009 121 H VAL 15 H VAL 15 3.975 10.809 1.468 122 HA VAL 15 HA VAL 15 4.100 10.061 4.308 123 HB VAL 15 HB VAL 15 3.706 12.797 3.085 124 1HG1 VAL 15 1HG1 VAL 15 4.316 11.980 5.929 125 2HG1 VAL 15 2HG1 VAL 15 2.774 12.602 5.339 126 3HG1 VAL 15 3HG1 VAL 15 4.204 13.637 5.334 127 1HG2 VAL 15 1HG2 VAL 15 5.906 11.921 2.539 128 2HG2 VAL 15 2HG2 VAL 15 6.190 11.532 4.236 129 3HG2 VAL 15 3HG2 VAL 15 6.035 13.215 3.733 130 H SER 16 H SER 16 2.315 9.644 5.414 131 HA SER 16 HA SER 16 -0.234 9.589 4.204 132 1HB SER 16 2HB SER 16 0.391 9.451 7.161 133 2HB SER 16 1HB SER 16 -1.033 8.815 6.340 134 HG SER 16 HG SER 16 1.584 7.834 6.405 135 H ARG 17 H ARG 17 -1.991 10.873 4.433 136 HA ARG 17 HA ARG 17 -3.213 12.713 4.626 137 1HB ARG 17 2HB ARG 17 -2.390 12.152 7.160 138 2HB ARG 17 1HB ARG 17 -1.868 13.827 6.981 139 1HG ARG 17 2HG ARG 17 -4.099 14.455 6.290 140 2HG ARG 17 1HG ARG 17 -4.637 12.792 6.444 141 1HD ARG 17 2HD ARG 17 -3.501 14.387 8.729 142 2HD ARG 17 1HD ARG 17 -5.225 14.270 8.380 143 HE ARG 17 HE ARG 17 -3.481 12.087 9.288 144 1HH1 ARG 17 1HH1 ARG 17 -6.697 13.277 8.530 145 2HH1 ARG 17 2HH1 ARG 17 -7.502 11.986 9.369 146 1HH2 ARG 17 1HH2 ARG 17 -4.545 10.397 10.397 147 2HH2 ARG 17 2HH2 ARG 17 -6.289 10.372 10.463 148 H LYS 18 H LYS 18 -0.498 12.716 3.352 149 HA LYS 18 HA LYS 18 -0.528 15.599 2.809 150 1HB LYS 18 2HB LYS 18 1.496 15.234 4.099 151 2HB LYS 18 1HB LYS 18 1.930 13.855 3.097 152 1HG LYS 18 2HG LYS 18 2.058 15.457 1.148 153 2HG LYS 18 1HG LYS 18 1.911 16.762 2.326 154 1HD LYS 18 2HD LYS 18 3.935 16.075 3.423 155 2HD LYS 18 1HD LYS 18 4.047 14.635 2.407 156 1HE LYS 18 2HE LYS 18 4.230 17.500 1.467 157 2HE LYS 18 1HE LYS 18 5.579 16.377 1.642 158 1HZ LYS 18 1HZ LYS 18 3.313 16.166 -0.269 159 2HZ LYS 18 2HZ LYS 18 4.455 14.940 -0.029 160 3HZ LYS 18 3HZ LYS 18 4.944 16.445 -0.641 161 H ASP 19 H ASP 19 0.973 12.588 1.655 162 HA ASP 19 HA ASP 19 0.488 13.390 -1.099 163 1HB ASP 19 2HB ASP 19 1.864 10.934 0.019 164 2HB ASP 19 1HB ASP 19 1.835 11.412 -1.676 165 H PHE 20 H PHE 20 -0.704 11.204 1.303 166 HA PHE 20 HA PHE 20 -2.995 10.611 -0.367 167 1HB PHE 20 2HB PHE 20 -2.852 8.191 -0.096 168 2HB PHE 20 1HB PHE 20 -1.402 8.779 -0.900 169 HD1 PHE 20 HD1 PHE 20 -2.751 7.146 2.038 170 HD2 PHE 20 HD2 PHE 20 0.733 8.870 0.318 171 HE1 PHE 20 HE1 PHE 20 -1.373 6.031 3.737 172 HE2 PHE 20 HE2 PHE 20 2.124 7.756 2.018 173 HZ PHE 20 HZ PHE 20 1.071 6.337 3.729 174 H GLU 21 H GLU 21 -4.837 10.163 0.852 175 HA GLU 21 HA GLU 21 -4.434 10.024 3.765 176 1HB GLU 21 2HB GLU 21 -5.216 12.287 3.058 177 2HB GLU 21 1HB GLU 21 -6.661 11.539 2.390 178 1HG GLU 21 2HG GLU 21 -7.287 10.749 4.611 179 2HG GLU 21 1HG GLU 21 -5.828 11.473 5.286 180 H LEU 22 H LEU 22 -5.640 8.574 4.835 181 HA LEU 22 HA LEU 22 -6.985 6.596 3.189 182 1HB LEU 22 2HB LEU 22 -6.393 6.498 6.140 183 2HB LEU 22 1HB LEU 22 -6.869 5.157 5.122 184 HG LEU 22 HG LEU 22 -4.250 6.647 4.940 185 1HD1 LEU 22 1HD1 LEU 22 -4.877 3.870 5.930 186 2HD1 LEU 22 2HD1 LEU 22 -4.419 5.245 6.936 187 3HD1 LEU 22 3HD1 LEU 22 -3.271 4.579 5.774 188 1HD2 LEU 22 1HD2 LEU 22 -4.986 5.843 2.763 189 2HD2 LEU 22 2HD2 LEU 22 -5.252 4.235 3.435 190 3HD2 LEU 22 3HD2 LEU 22 -3.617 4.895 3.350 191 H ARG 23 H ARG 23 -9.038 5.744 3.711 192 HA ARG 23 HA ARG 23 -10.702 7.356 5.520 193 1HB ARG 23 2HB ARG 23 -10.961 7.958 3.002 194 2HB ARG 23 1HB ARG 23 -11.783 6.408 2.879 195 1HG ARG 23 2HG ARG 23 -13.484 7.992 3.179 196 2HG ARG 23 1HG ARG 23 -13.286 7.218 4.754 197 1HD ARG 23 2HD ARG 23 -13.483 9.635 5.006 198 2HD ARG 23 1HD ARG 23 -11.874 9.086 5.483 199 HE ARG 23 HE ARG 23 -12.277 10.079 2.755 200 1HH1 ARG 23 1HH1 ARG 23 -10.938 10.605 5.959 201 2HH1 ARG 23 2HH1 ARG 23 -9.817 11.816 5.416 202 1HH2 ARG 23 1HH2 ARG 23 -10.803 11.671 2.060 203 2HH2 ARG 23 2HH2 ARG 23 -9.727 12.417 3.227 204 H ASN 24 H ASN 24 -12.507 6.206 6.369 205 HA ASN 24 HA ASN 24 -12.118 3.331 6.432 206 1HB ASN 24 2HB ASN 24 -12.553 4.487 8.536 207 2HB ASN 24 1HB ASN 24 -14.072 5.114 7.904 208 1HD2 ASN 24 1HD2 ASN 24 -15.289 4.161 9.511 209 2HD2 ASN 24 2HD2 ASN 24 -15.558 2.451 9.583 210 H ASP 25 H ASP 25 -12.969 2.156 4.885 211 HA ASP 25 HA ASP 25 -15.313 3.002 3.407 212 1HB ASP 25 2HB ASP 25 -13.552 1.895 2.173 213 2HB ASP 25 1HB ASP 25 -13.579 0.523 3.274 214 H GLY 26 H GLY 26 -14.638 1.190 6.185 215 1HA GLY 26 2HA GLY 26 -16.438 0.282 7.549 216 2HA GLY 26 1HA GLY 26 -17.256 -0.172 6.052 217 H ASN 27 H ASN 27 -15.179 -1.223 4.621 218 HA ASN 27 HA ASN 27 -14.687 -3.762 5.873 219 1HB ASN 27 2HB ASN 27 -14.003 -2.548 3.212 220 2HB ASN 27 1HB ASN 27 -13.215 -4.035 3.725 221 1HD2 ASN 27 1HD2 ASN 27 -15.104 -3.478 1.534 222 2HD2 ASN 27 2HD2 ASN 27 -16.408 -4.598 1.763 223 H GLY 28 H GLY 28 -13.268 -0.808 6.110 224 1HA GLY 28 2HA GLY 28 -11.355 -1.094 7.845 225 2HA GLY 28 1HA GLY 28 -10.545 -1.820 6.464 226 H SER 29 H SER 29 -9.062 0.005 7.129 227 HA SER 29 HA SER 29 -9.902 2.595 6.067 228 1HB SER 29 2HB SER 29 -7.293 1.860 7.422 229 2HB SER 29 1HB SER 29 -7.912 3.485 7.115 230 HG SER 29 HG SER 29 -8.694 1.599 9.039 231 H TYR 30 H TYR 30 -9.620 2.891 3.945 232 HA TYR 30 HA TYR 30 -7.212 1.732 2.703 233 1HB TYR 30 2HB TYR 30 -8.407 1.113 0.757 234 2HB TYR 30 1HB TYR 30 -9.380 0.552 2.107 235 HD1 TYR 30 HD1 TYR 30 -9.891 1.489 -0.973 236 HD2 TYR 30 HD2 TYR 30 -10.831 3.013 2.885 237 HE1 TYR 30 HE1 TYR 30 -11.818 2.680 -1.918 238 HE2 TYR 30 HE2 TYR 30 -12.771 4.201 1.947 239 HH TYR 30 HH TYR 30 -14.067 3.528 -1.016 240 H ILE 31 H ILE 31 -7.221 2.817 0.259 241 HA ILE 31 HA ILE 31 -6.487 5.546 0.862 242 HB ILE 31 HB ILE 31 -6.392 4.144 -1.814 243 1HG1 ILE 31 2HG1 ILE 31 -4.207 4.357 0.269 244 2HG1 ILE 31 1HG1 ILE 31 -5.134 2.902 -0.066 245 1HG2 ILE 31 1HG2 ILE 31 -4.897 6.542 -0.751 246 2HG2 ILE 31 2HG2 ILE 31 -6.204 6.572 -1.934 247 3HG2 ILE 31 3HG2 ILE 31 -4.669 5.803 -2.339 248 1HD1 ILE 31 1HD1 ILE 31 -3.325 4.313 -2.010 249 2HD1 ILE 31 2HD1 ILE 31 -4.240 2.840 -2.332 250 3HD1 ILE 31 3HD1 ILE 31 -2.950 2.833 -1.128 251 H GLU 32 H GLU 32 -7.631 7.308 0.433 252 HA GLU 32 HA GLU 32 -9.768 7.152 -1.590 253 1HB GLU 32 2HB GLU 32 -10.723 7.348 0.697 254 2HB GLU 32 1HB GLU 32 -9.807 8.835 0.929 255 1HG GLU 32 2HG GLU 32 -11.041 9.599 -1.232 256 2HG GLU 32 1HG GLU 32 -12.173 8.316 -0.808 257 H LYS 33 H LYS 33 -7.786 9.445 0.271 258 HA LYS 33 HA LYS 33 -7.943 11.385 -1.895 259 1HB LYS 33 2HB LYS 33 -8.059 11.721 0.743 260 2HB LYS 33 1HB LYS 33 -6.315 11.816 0.570 261 1HG LYS 33 2HG LYS 33 -8.184 13.533 -1.021 262 2HG LYS 33 1HG LYS 33 -7.593 13.990 0.568 263 1HD LYS 33 2HD LYS 33 -5.314 13.860 -0.241 264 2HD LYS 33 1HD LYS 33 -5.900 13.382 -1.830 265 1HE LYS 33 2HE LYS 33 -6.575 15.973 -0.455 266 2HE LYS 33 1HE LYS 33 -5.313 15.789 -1.671 267 1HZ LYS 33 1HZ LYS 33 -7.345 16.630 -2.648 268 2HZ LYS 33 2HZ LYS 33 -8.215 15.285 -2.086 269 3HZ LYS 33 3HZ LYS 33 -7.004 15.081 -3.252 270 H TRP 34 H TRP 34 -6.357 11.701 -3.351 271 HA TRP 34 HA TRP 34 -3.763 10.388 -2.908 272 1HB TRP 34 2HB TRP 34 -5.422 8.949 -4.192 273 2HB TRP 34 1HB TRP 34 -5.342 10.151 -5.469 274 HD1 TRP 34 HD1 TRP 34 -3.634 9.670 -7.290 275 HE1 TRP 34 HE1 TRP 34 -1.569 8.150 -7.533 276 HE3 TRP 34 HE3 TRP 34 -3.346 7.935 -2.492 277 HZ2 TRP 34 HZ2 TRP 34 -0.011 6.463 -5.892 278 HZ3 TRP 34 HZ3 TRP 34 -1.537 6.371 -1.910 279 HH2 TRP 34 HH2 TRP 34 0.094 5.651 -3.575 280 H ASN 35 H ASN 35 -2.221 11.872 -3.173 281 HA ASN 35 HA ASN 35 -2.721 14.115 -5.026 282 1HB ASN 35 2HB ASN 35 -1.161 13.968 -2.452 283 2HB ASN 35 1HB ASN 35 -0.930 15.277 -3.602 284 1HD2 ASN 35 1HD2 ASN 35 -1.929 15.291 -0.846 285 2HD2 ASN 35 2HD2 ASN 35 -3.483 16.062 -0.925 286 H LEU 36 H LEU 36 -1.112 11.317 -4.980 287 HA LEU 36 HA LEU 36 1.482 12.327 -5.832 288 1HB LEU 36 2HB LEU 36 0.443 9.556 -5.298 289 2HB LEU 36 1HB LEU 36 2.025 9.855 -5.985 290 HG LEU 36 HG LEU 36 1.104 10.853 -3.302 291 1HD1 LEU 36 1HD1 LEU 36 2.631 9.172 -2.387 292 2HD1 LEU 36 2HD1 LEU 36 2.935 8.570 -4.019 293 3HD1 LEU 36 3HD1 LEU 36 1.323 8.432 -3.313 294 1HD2 LEU 36 1HD2 LEU 36 2.772 12.295 -4.336 295 2HD2 LEU 36 2HD2 LEU 36 3.811 10.901 -4.628 296 3HD2 LEU 36 3HD2 LEU 36 3.467 11.411 -2.976 297 H ARG 37 H ARG 37 2.450 11.758 -7.823 298 HA ARG 37 HA ARG 37 0.614 11.435 -10.047 299 1HB ARG 37 2HB ARG 37 3.632 11.573 -10.086 300 2HB ARG 37 1HB ARG 37 2.563 11.749 -11.465 301 1HG ARG 37 2HG ARG 37 1.687 13.840 -10.456 302 2HG ARG 37 1HG ARG 37 2.893 13.667 -9.170 303 1HD ARG 37 2HD ARG 37 4.619 13.500 -11.026 304 2HD ARG 37 1HD ARG 37 3.352 14.060 -12.112 305 HE ARG 37 HE ARG 37 3.371 15.942 -10.168 306 1HH1 ARG 37 1HH1 ARG 37 5.845 14.500 -12.189 307 2HH1 ARG 37 2HH1 ARG 37 6.846 15.922 -12.198 308 1HH2 ARG 37 1HH2 ARG 37 4.675 17.817 -10.194 309 2HH2 ARG 37 2HH2 ARG 37 6.180 17.813 -11.071 310 H ALA 38 H ALA 38 0.526 9.251 -8.433 311 HA ALA 38 HA ALA 38 2.093 7.220 -9.874 312 1HB ALA 38 1HB ALA 38 2.129 5.893 -7.817 313 2HB ALA 38 2HB ALA 38 1.240 7.164 -6.979 314 3HB ALA 38 3HB ALA 38 2.875 7.470 -7.561 315 HA PRO 39 HA PRO 39 -1.793 5.462 -11.030 316 1HB PRO 39 2HB PRO 39 -0.999 2.862 -11.328 317 2HB PRO 39 1HB PRO 39 -0.687 4.125 -12.523 318 1HG PRO 39 2HG PRO 39 1.130 3.014 -10.417 319 2HG PRO 39 1HG PRO 39 1.488 3.424 -12.107 320 1HD PRO 39 2HD PRO 39 2.167 5.052 -10.069 321 2HD PRO 39 1HD PRO 39 1.663 5.686 -11.652 322 H LEU 40 H LEU 40 -3.505 4.543 -10.009 323 HA LEU 40 HA LEU 40 -3.218 3.672 -7.297 324 1HB LEU 40 2HB LEU 40 -5.499 4.044 -9.197 325 2HB LEU 40 1HB LEU 40 -5.746 3.098 -7.749 326 HG LEU 40 HG LEU 40 -6.499 5.343 -7.368 327 1HD1 LEU 40 1HD1 LEU 40 -3.890 4.817 -5.958 328 2HD1 LEU 40 2HD1 LEU 40 -5.480 4.220 -5.484 329 3HD1 LEU 40 3HD1 LEU 40 -5.133 5.948 -5.422 330 1HD2 LEU 40 1HD2 LEU 40 -5.181 6.485 -9.065 331 2HD2 LEU 40 2HD2 LEU 40 -3.716 6.223 -8.122 332 3HD2 LEU 40 3HD2 LEU 40 -4.993 7.263 -7.492 333 HA PRO 41 HA PRO 41 -2.335 -0.555 -8.339 334 1HB PRO 41 2HB PRO 41 -2.762 -1.569 -5.830 335 2HB PRO 41 1HB PRO 41 -1.281 -0.740 -6.315 336 1HG PRO 41 2HG PRO 41 -3.649 0.332 -4.831 337 2HG PRO 41 1HG PRO 41 -1.923 0.597 -4.522 338 1HD PRO 41 2HD PRO 41 -3.418 2.437 -5.773 339 2HD PRO 41 1HD PRO 41 -1.723 2.147 -6.225 340 H THR 42 H THR 42 -3.401 -2.579 -8.427 341 HA THR 42 HA THR 42 -6.257 -2.337 -8.735 342 HB THR 42 HB THR 42 -6.116 -4.683 -9.544 343 HG1 THR 42 HG1 THR 42 -3.822 -5.395 -9.887 344 1HG2 THR 42 1HG2 THR 42 -5.824 -2.861 -11.129 345 2HG2 THR 42 2HG2 THR 42 -4.778 -4.216 -11.554 346 3HG2 THR 42 3HG2 THR 42 -4.102 -2.792 -10.756 347 H GLN 43 H GLN 43 -7.646 -4.195 -7.896 348 HA GLN 43 HA GLN 43 -7.589 -4.322 -5.082 349 1HB GLN 43 2HB GLN 43 -9.584 -4.732 -6.544 350 2HB GLN 43 1HB GLN 43 -8.896 -6.282 -6.978 351 1HG GLN 43 2HG GLN 43 -10.620 -6.485 -5.258 352 2HG GLN 43 1HG GLN 43 -9.044 -7.036 -4.691 353 1HE2 GLN 43 1HE2 GLN 43 -7.983 -5.882 -3.082 354 2HE2 GLN 43 2HE2 GLN 43 -8.773 -4.658 -2.146 355 H ALA 44 H ALA 44 -6.618 -6.565 -7.581 356 HA ALA 44 HA ALA 44 -5.697 -8.683 -6.045 357 1HB ALA 44 1HB ALA 44 -4.528 -7.699 -8.644 358 2HB ALA 44 2HB ALA 44 -5.939 -8.745 -8.491 359 3HB ALA 44 3HB ALA 44 -4.357 -9.318 -7.962 360 H GLU 45 H GLU 45 -3.848 -5.854 -7.237 361 HA GLU 45 HA GLU 45 -1.405 -6.578 -6.111 362 1HB GLU 45 2HB GLU 45 -2.039 -4.726 -7.837 363 2HB GLU 45 1HB GLU 45 -2.229 -3.716 -6.409 364 1HG GLU 45 2HG GLU 45 0.055 -4.396 -5.738 365 2HG GLU 45 1HG GLU 45 0.228 -5.160 -7.311 366 H LEU 46 H LEU 46 -4.013 -4.512 -4.876 367 HA LEU 46 HA LEU 46 -2.886 -3.656 -2.513 368 1HB LEU 46 2HB LEU 46 -5.734 -4.391 -3.156 369 2HB LEU 46 1HB LEU 46 -5.258 -3.630 -1.656 370 HG LEU 46 HG LEU 46 -4.840 -2.426 -4.386 371 1HD1 LEU 46 1HD1 LEU 46 -6.658 -0.912 -3.789 372 2HD1 LEU 46 2HD1 LEU 46 -6.910 -1.798 -2.286 373 3HD1 LEU 46 3HD1 LEU 46 -7.211 -2.587 -3.834 374 1HD2 LEU 46 1HD2 LEU 46 -4.345 -0.382 -3.131 375 2HD2 LEU 46 2HD2 LEU 46 -3.206 -1.674 -2.750 376 3HD2 LEU 46 3HD2 LEU 46 -4.501 -1.276 -1.618 377 H GLU 47 H GLU 47 -4.742 -6.652 -3.050 378 HA GLU 47 HA GLU 47 -4.441 -7.565 -0.382 379 1HB GLU 47 2HB GLU 47 -5.108 -9.094 -2.899 380 2HB GLU 47 1HB GLU 47 -5.233 -9.740 -1.266 381 1HG GLU 47 2HG GLU 47 -6.857 -7.989 -0.715 382 2HG GLU 47 1HG GLU 47 -6.755 -7.393 -2.366 383 H THR 48 H THR 48 -2.522 -7.881 -3.279 384 HA THR 48 HA THR 48 -0.785 -9.931 -2.377 385 HB THR 48 HB THR 48 -0.212 -7.702 -4.353 386 HG1 THR 48 HG1 THR 48 -2.027 -8.988 -4.956 387 1HG2 THR 48 1HG2 THR 48 1.817 -8.860 -3.572 388 2HG2 THR 48 2HG2 THR 48 1.473 -9.211 -5.265 389 3HG2 THR 48 3HG2 THR 48 1.098 -10.406 -4.024 390 H TRP 49 H TRP 49 -0.719 -6.384 -2.099 391 HA TRP 49 HA TRP 49 1.772 -6.053 -0.883 392 1HB TRP 49 2HB TRP 49 -0.822 -4.585 -0.362 393 2HB TRP 49 1HB TRP 49 0.731 -4.081 0.281 394 HD1 TRP 49 HD1 TRP 49 1.398 -5.189 -3.140 395 HE1 TRP 49 HE1 TRP 49 1.425 -3.183 -4.761 396 HE3 TRP 49 HE3 TRP 49 -0.739 -1.666 -0.114 397 HZ2 TRP 49 HZ2 TRP 49 0.661 -0.470 -4.740 398 HZ3 TRP 49 HZ3 TRP 49 -1.046 0.610 -0.989 399 HH2 TRP 49 HH2 TRP 49 -0.360 1.196 -3.254 400 H TRP 50 H TRP 50 -1.391 -6.612 0.610 401 HA TRP 50 HA TRP 50 -0.534 -6.740 3.267 402 1HB TRP 50 2HB TRP 50 -2.900 -6.524 2.590 403 2HB TRP 50 1HB TRP 50 -2.876 -8.179 1.987 404 HD1 TRP 50 HD1 TRP 50 -3.502 -10.023 3.665 405 HE1 TRP 50 HE1 TRP 50 -3.961 -10.116 6.200 406 HE3 TRP 50 HE3 TRP 50 -2.050 -5.290 4.913 407 HZ2 TRP 50 HZ2 TRP 50 -3.732 -8.395 8.432 408 HZ3 TRP 50 HZ3 TRP 50 -2.202 -4.588 7.267 409 HH2 TRP 50 HH2 TRP 50 -3.026 -6.108 8.989 410 H GLU 51 H GLU 51 -0.972 -9.339 0.879 411 HA GLU 51 HA GLU 51 -0.255 -11.469 2.532 412 1HB GLU 51 2HB GLU 51 -0.350 -10.993 -0.413 413 2HB GLU 51 1HB GLU 51 0.391 -12.460 0.185 414 1HG GLU 51 2HG GLU 51 -1.659 -13.065 1.338 415 2HG GLU 51 1HG GLU 51 -2.405 -11.559 0.806 416 H GLU 52 H GLU 52 1.759 -9.502 0.341 417 HA GLU 52 HA GLU 52 4.161 -10.887 0.868 418 1HB GLU 52 2HB GLU 52 3.595 -8.108 -0.137 419 2HB GLU 52 1HB GLU 52 5.235 -8.701 0.079 420 1HG GLU 52 2HG GLU 52 4.700 -10.573 -1.457 421 2HG GLU 52 1HG GLU 52 3.124 -9.841 -1.733 422 H LEU 53 H LEU 53 2.624 -8.112 2.412 423 HA LEU 53 HA LEU 53 4.743 -7.438 4.143 424 1HB LEU 53 2HB LEU 53 2.887 -5.936 3.687 425 2HB LEU 53 1HB LEU 53 1.767 -7.049 4.447 426 HG LEU 53 HG LEU 53 3.008 -6.699 6.601 427 1HD1 LEU 53 1HD1 LEU 53 4.299 -4.455 5.055 428 2HD1 LEU 53 2HD1 LEU 53 5.116 -5.895 5.662 429 3HD1 LEU 53 3HD1 LEU 53 4.432 -4.726 6.792 430 1HD2 LEU 53 1HD2 LEU 53 1.738 -4.301 5.290 431 2HD2 LEU 53 2HD2 LEU 53 1.988 -4.505 7.024 432 3HD2 LEU 53 3HD2 LEU 53 0.900 -5.590 6.156 433 H GLN 54 H GLN 54 1.963 -9.596 4.545 434 HA GLN 54 HA GLN 54 2.514 -10.181 7.272 435 1HB GLN 54 2HB GLN 54 0.717 -11.410 5.201 436 2HB GLN 54 1HB GLN 54 0.819 -12.021 6.838 437 1HG GLN 54 2HG GLN 54 0.092 -9.191 6.150 438 2HG GLN 54 1HG GLN 54 -1.085 -10.477 6.412 439 1HE2 GLN 54 1HE2 GLN 54 1.269 -8.397 7.890 440 2HE2 GLN 54 2HE2 GLN 54 0.813 -8.704 9.532 441 H LYS 55 H LYS 55 3.434 -11.623 4.218 442 HA LYS 55 HA LYS 55 4.259 -14.094 5.498 443 1HB LYS 55 2HB LYS 55 3.086 -13.734 3.175 444 2HB LYS 55 1HB LYS 55 4.734 -13.491 2.617 445 1HG LYS 55 2HG LYS 55 5.347 -15.697 3.433 446 2HG LYS 55 1HG LYS 55 3.704 -15.945 4.027 447 1HD LYS 55 2HD LYS 55 2.904 -15.596 1.676 448 2HD LYS 55 1HD LYS 55 4.594 -15.612 1.171 449 1HE LYS 55 2HE LYS 55 3.156 -17.844 2.598 450 2HE LYS 55 1HE LYS 55 3.543 -17.803 0.879 451 1HZ LYS 55 1HZ LYS 55 5.531 -17.784 3.092 452 2HZ LYS 55 2HZ LYS 55 5.889 -17.782 1.433 453 3HZ LYS 55 3HZ LYS 55 5.130 -19.123 2.133 454 H ASN 56 H ASN 56 5.651 -11.149 5.092 455 HA ASN 56 HA ASN 56 8.353 -12.292 4.824 456 1HB ASN 56 2HB ASN 56 7.255 -9.628 3.963 457 2HB ASN 56 1HB ASN 56 8.981 -9.856 4.221 458 1HD2 ASN 56 1HD2 ASN 56 9.435 -9.474 2.057 459 2HD2 ASN 56 2HD2 ASN 56 9.084 -10.632 0.821 460 HA PRO 57 HA PRO 57 9.323 -11.159 8.950 461 1HB PRO 57 2HB PRO 57 11.929 -10.325 8.623 462 2HB PRO 57 1HB PRO 57 11.424 -12.013 8.746 463 1HG PRO 57 2HG PRO 57 12.054 -10.394 6.313 464 2HG PRO 57 1HG PRO 57 12.454 -12.083 6.677 465 1HD PRO 57 2HD PRO 57 10.431 -11.431 5.031 466 2HD PRO 57 1HD PRO 57 10.336 -12.838 6.114 467 HA PRO 58 HA PRO 58 8.396 -6.799 9.126 468 1HB PRO 58 2HB PRO 58 9.146 -7.127 11.972 469 2HB PRO 58 1HB PRO 58 7.635 -6.546 11.266 470 1HG PRO 58 2HG PRO 58 7.783 -8.964 12.388 471 2HG PRO 58 1HG PRO 58 6.808 -8.681 10.934 472 1HD PRO 58 2HD PRO 58 9.507 -9.944 11.192 473 2HD PRO 58 1HD PRO 58 8.141 -10.409 10.156 474 H TYR 59 H TYR 59 9.447 -4.835 9.427 475 HA TYR 59 HA TYR 59 12.240 -4.834 8.963 476 1HB TYR 59 2HB TYR 59 10.599 -3.108 8.168 477 2HB TYR 59 1HB TYR 59 10.504 -2.509 9.819 478 HD1 TYR 59 HD1 TYR 59 11.979 -0.845 10.530 479 HD2 TYR 59 HD2 TYR 59 12.939 -3.130 7.068 480 HE1 TYR 59 HE1 TYR 59 13.888 0.640 10.085 481 HE2 TYR 59 HE2 TYR 59 14.856 -1.658 6.620 482 HH TYR 59 HH TYR 59 15.962 0.680 8.908 483 H GLU 60 H GLU 60 13.890 -4.820 10.335 484 HA GLU 60 HA GLU 60 13.599 -5.335 13.055 485 1HB GLU 60 2HB GLU 60 15.575 -5.942 11.715 486 2HB GLU 60 1HB GLU 60 16.019 -4.246 11.610 487 1HG GLU 60 2HG GLU 60 16.373 -4.154 13.998 488 2HG GLU 60 1HG GLU 60 15.835 -5.823 14.168 Start of MODEL 4 1 1H MET 1 1H MET 1 -8.379 -6.296 6.623 2 2H MET 1 2H MET 1 -6.854 -6.541 7.330 3 3H MET 1 3H MET 1 -7.472 -7.678 6.239 4 HA MET 1 HA MET 1 -5.774 -6.311 5.209 5 1HB MET 1 2HB MET 1 -7.589 -7.236 3.839 6 2HB MET 1 1HB MET 1 -8.580 -5.825 4.180 7 1HG MET 1 2HG MET 1 -6.929 -4.419 3.017 8 2HG MET 1 1HG MET 1 -6.002 -5.870 2.631 9 1HE MET 1 1HE MET 1 -7.068 -3.744 0.454 10 2HE MET 1 2HE MET 1 -7.607 -4.839 -0.816 11 3HE MET 1 3HE MET 1 -6.101 -5.161 0.044 12 H ILE 2 H ILE 2 -4.745 -4.556 5.992 13 HA ILE 2 HA ILE 2 -6.253 -2.023 6.031 14 HB ILE 2 HB ILE 2 -3.833 -2.750 7.689 15 1HG1 ILE 2 2HG1 ILE 2 -5.503 -2.083 9.566 16 2HG1 ILE 2 1HG1 ILE 2 -6.743 -2.337 8.341 17 1HG2 ILE 2 1HG2 ILE 2 -5.327 -0.138 7.541 18 2HG2 ILE 2 2HG2 ILE 2 -3.697 -0.441 6.940 19 3HG2 ILE 2 3HG2 ILE 2 -4.026 -0.517 8.672 20 1HD1 ILE 2 1HD1 ILE 2 -4.763 -4.399 9.301 21 2HD1 ILE 2 2HD1 ILE 2 -6.018 -4.649 8.086 22 3HD1 ILE 2 3HD1 ILE 2 -6.465 -4.293 9.753 23 H LEU 3 H LEU 3 -5.686 -0.627 4.514 24 HA LEU 3 HA LEU 3 -3.678 -1.297 2.636 25 1HB LEU 3 2HB LEU 3 -5.799 0.678 2.954 26 2HB LEU 3 1HB LEU 3 -4.407 1.273 2.088 27 HG LEU 3 HG LEU 3 -6.042 0.430 0.532 28 1HD1 LEU 3 1HD1 LEU 3 -3.644 -1.370 0.777 29 2HD1 LEU 3 2HD1 LEU 3 -3.745 0.146 -0.119 30 3HD1 LEU 3 3HD1 LEU 3 -4.676 -1.255 -0.647 31 1HD2 LEU 3 1HD2 LEU 3 -6.701 -1.924 0.513 32 2HD2 LEU 3 2HD2 LEU 3 -7.194 -1.124 2.006 33 3HD2 LEU 3 3HD2 LEU 3 -5.789 -2.190 1.999 34 H TYR 4 H TYR 4 -3.856 0.968 5.289 35 HA TYR 4 HA TYR 4 -1.830 2.736 4.674 36 1HB TYR 4 2HB TYR 4 -3.368 2.856 6.653 37 2HB TYR 4 1HB TYR 4 -2.385 1.625 7.433 38 HD1 TYR 4 HD1 TYR 4 -0.255 2.182 8.414 39 HD2 TYR 4 HD2 TYR 4 -2.481 5.113 6.291 40 HE1 TYR 4 HE1 TYR 4 1.196 3.941 9.330 41 HE2 TYR 4 HE2 TYR 4 -1.034 6.875 7.199 42 HH TYR 4 HH TYR 4 0.433 7.223 9.149 43 H ASP 5 H ASP 5 -1.554 -0.373 6.344 44 HA ASP 5 HA ASP 5 1.249 -0.272 6.686 45 1HB ASP 5 2HB ASP 5 -0.757 -2.516 6.742 46 2HB ASP 5 1HB ASP 5 0.956 -2.793 7.006 47 H ALA 6 H ALA 6 -0.803 -1.891 4.301 48 HA ALA 6 HA ALA 6 1.191 -3.214 2.877 49 1HB ALA 6 1HB ALA 6 -1.402 -2.127 1.784 50 2HB ALA 6 2HB ALA 6 -1.208 -3.665 2.625 51 3HB ALA 6 3HB ALA 6 -0.419 -3.406 1.070 52 H ILE 7 H ILE 7 -0.234 -0.004 2.257 53 HA ILE 7 HA ILE 7 1.259 0.565 -0.063 54 HB ILE 7 HB ILE 7 0.100 2.512 1.945 55 1HG1 ILE 7 2HG1 ILE 7 -1.057 1.568 -0.686 56 2HG1 ILE 7 1HG1 ILE 7 -1.523 0.927 0.888 57 1HG2 ILE 7 1HG2 ILE 7 0.216 4.164 0.169 58 2HG2 ILE 7 2HG2 ILE 7 0.943 2.978 -0.916 59 3HG2 ILE 7 3HG2 ILE 7 1.820 3.521 0.515 60 1HD1 ILE 7 1HD1 ILE 7 -3.121 2.573 0.082 61 2HD1 ILE 7 2HD1 ILE 7 -1.840 3.782 -0.014 62 3HD1 ILE 7 3HD1 ILE 7 -2.321 3.129 1.552 63 H MET 8 H MET 8 1.853 1.287 3.360 64 HA MET 8 HA MET 8 4.185 2.845 2.816 65 1HB MET 8 2HB MET 8 2.783 3.251 4.783 66 2HB MET 8 1HB MET 8 3.194 1.663 5.413 67 1HG MET 8 2HG MET 8 5.418 2.286 5.834 68 2HG MET 8 1HG MET 8 5.280 3.738 4.841 69 1HE MET 8 1HE MET 8 2.497 4.933 5.719 70 2HE MET 8 2HE MET 8 3.969 5.885 5.521 71 3HE MET 8 3HE MET 8 3.007 6.040 6.993 72 H TYR 9 H TYR 9 3.573 -0.525 3.399 73 HA TYR 9 HA TYR 9 6.210 -1.323 4.025 74 1HB TYR 9 2HB TYR 9 4.470 -2.905 4.408 75 2HB TYR 9 1HB TYR 9 3.884 -2.770 2.755 76 HD1 TYR 9 HD1 TYR 9 4.470 -4.403 1.233 77 HD2 TYR 9 HD2 TYR 9 6.942 -3.807 4.647 78 HE1 TYR 9 HE1 TYR 9 5.831 -6.344 0.575 79 HE2 TYR 9 HE2 TYR 9 8.310 -5.746 4.002 80 HH TYR 9 HH TYR 9 7.998 -7.284 0.920 81 H LYS 10 H LYS 10 4.479 -0.917 0.979 82 HA LYS 10 HA LYS 10 6.722 -1.787 -0.599 83 1HB LYS 10 2HB LYS 10 4.339 -2.104 -1.279 84 2HB LYS 10 1HB LYS 10 4.209 -0.364 -1.491 85 1HG LYS 10 2HG LYS 10 5.834 -0.405 -3.255 86 2HG LYS 10 1HG LYS 10 6.145 -2.119 -2.983 87 1HD LYS 10 2HD LYS 10 3.770 -2.579 -3.554 88 2HD LYS 10 1HD LYS 10 3.580 -0.872 -3.958 89 1HE LYS 10 2HE LYS 10 3.990 -2.251 -5.948 90 2HE LYS 10 1HE LYS 10 5.265 -1.063 -5.688 91 1HZ LYS 10 1HZ LYS 10 6.021 -3.364 -6.290 92 2HZ LYS 10 2HZ LYS 10 5.488 -3.871 -4.760 93 3HZ LYS 10 3HZ LYS 10 6.722 -2.714 -4.887 94 H TYR 11 H TYR 11 5.157 1.308 0.143 95 HA TYR 11 HA TYR 11 7.587 2.672 -0.826 96 1HB TYR 11 2HB TYR 11 4.777 3.794 -0.858 97 2HB TYR 11 1HB TYR 11 6.227 4.573 -1.478 98 HD1 TYR 11 HD1 TYR 11 3.416 2.622 -2.319 99 HD2 TYR 11 HD2 TYR 11 7.481 3.264 -3.378 100 HE1 TYR 11 HE1 TYR 11 2.989 1.635 -4.528 101 HE2 TYR 11 HE2 TYR 11 7.065 2.281 -5.595 102 HH TYR 11 HH TYR 11 3.958 1.739 -6.820 103 HA PRO 12 HA PRO 12 7.331 3.471 3.674 104 1HB PRO 12 2HB PRO 12 10.187 4.082 3.313 105 2HB PRO 12 1HB PRO 12 9.420 2.912 4.385 106 1HG PRO 12 2HG PRO 12 10.815 2.130 2.234 107 2HG PRO 12 1HG PRO 12 9.362 1.262 2.767 108 1HD PRO 12 2HD PRO 12 9.677 3.251 0.544 109 2HD PRO 12 1HD PRO 12 8.777 1.718 0.565 110 H ASN 13 H ASN 13 8.569 5.403 1.085 111 HA ASN 13 HA ASN 13 8.746 7.795 2.741 112 1HB ASN 13 2HB ASN 13 10.492 7.092 1.007 113 2HB ASN 13 1HB ASN 13 9.329 7.629 -0.189 114 1HD2 ASN 13 1HD2 ASN 13 11.325 8.645 2.493 115 2HD2 ASN 13 2HD2 ASN 13 11.337 10.329 2.100 116 H ALA 14 H ALA 14 6.313 6.235 1.477 117 HA ALA 14 HA ALA 14 4.937 8.387 0.118 118 1HB ALA 14 1HB ALA 14 3.864 5.761 1.156 119 2HB ALA 14 2HB ALA 14 4.449 6.068 -0.481 120 3HB ALA 14 3HB ALA 14 3.008 6.892 0.108 121 H VAL 15 H VAL 15 4.736 10.110 1.459 122 HA VAL 15 HA VAL 15 4.152 9.784 4.246 123 HB VAL 15 HB VAL 15 4.159 12.370 2.682 124 1HG1 VAL 15 1HG1 VAL 15 4.597 11.803 5.612 125 2HG1 VAL 15 2HG1 VAL 15 3.147 12.516 4.904 126 3HG1 VAL 15 3HG1 VAL 15 4.680 13.386 4.843 127 1HG2 VAL 15 1HG2 VAL 15 6.261 11.202 2.327 128 2HG2 VAL 15 2HG2 VAL 15 6.447 10.984 4.068 129 3HG2 VAL 15 3HG2 VAL 15 6.497 12.604 3.372 130 H SER 16 H SER 16 2.190 9.225 4.874 131 HA SER 16 HA SER 16 -0.216 9.778 3.508 132 1HB SER 16 2HB SER 16 0.176 9.161 6.446 133 2HB SER 16 1HB SER 16 -1.305 8.936 5.514 134 HG SER 16 HG SER 16 0.563 7.647 4.209 135 H ARG 17 H ARG 17 -1.912 11.212 4.112 136 HA ARG 17 HA ARG 17 -2.889 13.145 4.808 137 1HB ARG 17 2HB ARG 17 -0.484 13.426 6.615 138 2HB ARG 17 1HB ARG 17 -1.861 14.517 6.615 139 1HG ARG 17 2HG ARG 17 -3.321 12.781 7.373 140 2HG ARG 17 1HG ARG 17 -2.052 11.569 7.184 141 1HD ARG 17 2HD ARG 17 -0.735 12.643 8.913 142 2HD ARG 17 1HD ARG 17 -1.937 13.922 9.064 143 HE ARG 17 HE ARG 17 -3.491 12.181 9.866 144 1HH1 ARG 17 1HH1 ARG 17 -0.069 11.424 9.881 145 2HH1 ARG 17 2HH1 ARG 17 -0.167 10.408 11.292 146 1HH2 ARG 17 1HH2 ARG 17 -3.625 10.855 11.723 147 2HH2 ARG 17 2HH2 ARG 17 -2.190 10.075 12.335 148 H LYS 18 H LYS 18 0.507 13.201 3.983 149 HA LYS 18 HA LYS 18 0.488 15.925 3.042 150 1HB LYS 18 2HB LYS 18 2.544 14.910 3.915 151 2HB LYS 18 1HB LYS 18 2.492 13.683 2.657 152 1HG LYS 18 2HG LYS 18 4.073 15.190 1.888 153 2HG LYS 18 1HG LYS 18 2.614 15.655 1.015 154 1HD LYS 18 2HD LYS 18 2.214 17.437 2.656 155 2HD LYS 18 1HD LYS 18 3.691 16.974 3.506 156 1HE LYS 18 2HE LYS 18 4.893 17.366 1.300 157 2HE LYS 18 1HE LYS 18 3.411 18.148 0.754 158 1HZ LYS 18 1HZ LYS 18 4.958 19.765 1.610 159 2HZ LYS 18 2HZ LYS 18 5.053 18.955 3.091 160 3HZ LYS 18 3HZ LYS 18 3.604 19.696 2.620 161 H ASP 19 H ASP 19 0.935 12.772 1.443 162 HA ASP 19 HA ASP 19 0.174 14.010 -1.106 163 1HB ASP 19 2HB ASP 19 2.316 12.744 -0.945 164 2HB ASP 19 1HB ASP 19 1.388 11.288 -0.598 165 H PHE 20 H PHE 20 -0.520 11.141 0.855 166 HA PHE 20 HA PHE 20 -3.157 11.041 -0.412 167 1HB PHE 20 2HB PHE 20 -3.088 8.636 -0.552 168 2HB PHE 20 1HB PHE 20 -1.666 9.278 -1.363 169 HD1 PHE 20 HD1 PHE 20 -2.895 7.095 1.190 170 HD2 PHE 20 HD2 PHE 20 0.541 9.233 -0.122 171 HE1 PHE 20 HE1 PHE 20 -1.471 5.646 2.578 172 HE2 PHE 20 HE2 PHE 20 1.969 7.786 1.263 173 HZ PHE 20 HZ PHE 20 0.963 5.988 2.614 174 H GLU 21 H GLU 21 -4.845 10.447 0.913 175 HA GLU 21 HA GLU 21 -4.208 9.970 3.743 176 1HB GLU 21 2HB GLU 21 -4.823 12.344 3.456 177 2HB GLU 21 1HB GLU 21 -6.334 11.860 2.697 178 1HG GLU 21 2HG GLU 21 -7.078 10.841 4.763 179 2HG GLU 21 1HG GLU 21 -5.537 11.222 5.529 180 H LEU 22 H LEU 22 -5.425 8.401 4.698 181 HA LEU 22 HA LEU 22 -7.173 6.937 2.852 182 1HB LEU 22 2HB LEU 22 -5.978 5.953 5.434 183 2HB LEU 22 1HB LEU 22 -6.733 4.992 4.179 184 HG LEU 22 HG LEU 22 -4.094 6.441 3.983 185 1HD1 LEU 22 1HD1 LEU 22 -4.785 3.511 3.985 186 2HD1 LEU 22 2HD1 LEU 22 -4.009 4.400 5.295 187 3HD1 LEU 22 3HD1 LEU 22 -3.174 4.192 3.755 188 1HD2 LEU 22 1HD2 LEU 22 -5.523 4.785 1.907 189 2HD2 LEU 22 2HD2 LEU 22 -3.894 5.446 1.765 190 3HD2 LEU 22 3HD2 LEU 22 -5.282 6.530 1.851 191 H ARG 23 H ARG 23 -9.123 6.000 3.587 192 HA ARG 23 HA ARG 23 -10.265 7.266 5.995 193 1HB ARG 23 2HB ARG 23 -11.195 7.402 3.278 194 2HB ARG 23 1HB ARG 23 -12.378 6.557 4.264 195 1HG ARG 23 2HG ARG 23 -12.999 8.807 4.335 196 2HG ARG 23 1HG ARG 23 -12.216 8.492 5.881 197 1HD ARG 23 2HD ARG 23 -10.207 9.542 5.185 198 2HD ARG 23 1HD ARG 23 -10.761 9.641 3.516 199 HE ARG 23 HE ARG 23 -12.561 11.064 5.132 200 1HH1 ARG 23 1HH1 ARG 23 -9.253 11.201 4.045 201 2HH1 ARG 23 2HH1 ARG 23 -9.147 12.929 4.102 202 1HH2 ARG 23 1HH2 ARG 23 -12.474 13.363 5.153 203 2HH2 ARG 23 2HH2 ARG 23 -10.994 14.167 4.724 204 H ASN 24 H ASN 24 -12.074 6.045 6.925 205 HA ASN 24 HA ASN 24 -11.591 3.154 6.666 206 1HB ASN 24 2HB ASN 24 -11.363 4.209 8.946 207 2HB ASN 24 1HB ASN 24 -13.082 4.578 8.882 208 1HD2 ASN 24 1HD2 ASN 24 -14.567 2.957 9.152 209 2HD2 ASN 24 2HD2 ASN 24 -14.134 1.372 9.694 210 H ASP 25 H ASP 25 -12.905 2.254 5.270 211 HA ASP 25 HA ASP 25 -15.397 3.514 4.548 212 1HB ASP 25 2HB ASP 25 -13.868 2.546 2.866 213 2HB ASP 25 1HB ASP 25 -14.149 0.951 3.552 214 H GLY 26 H GLY 26 -14.381 0.507 6.090 215 1HA GLY 26 2HA GLY 26 -16.578 0.278 7.758 216 2HA GLY 26 1HA GLY 26 -16.989 -0.602 6.293 217 H ASN 27 H ASN 27 -14.911 -1.979 5.545 218 HA ASN 27 HA ASN 27 -14.431 -3.739 7.833 219 1HB ASN 27 2HB ASN 27 -14.278 -4.125 4.863 220 2HB ASN 27 1HB ASN 27 -13.465 -5.249 5.947 221 1HD2 ASN 27 1HD2 ASN 27 -14.774 -6.957 5.401 222 2HD2 ASN 27 2HD2 ASN 27 -16.429 -7.062 5.912 223 H GLY 28 H GLY 28 -12.881 -1.262 6.325 224 1HA GLY 28 2HA GLY 28 -10.539 -1.511 7.813 225 2HA GLY 28 1HA GLY 28 -10.215 -2.167 6.213 226 H SER 29 H SER 29 -8.678 -0.186 6.708 227 HA SER 29 HA SER 29 -9.932 2.253 5.675 228 1HB SER 29 2HB SER 29 -7.713 3.278 6.455 229 2HB SER 29 1HB SER 29 -8.810 2.713 7.715 230 HG SER 29 HG SER 29 -6.955 1.783 8.310 231 H TYR 30 H TYR 30 -9.406 3.001 3.673 232 HA TYR 30 HA TYR 30 -6.920 2.139 2.463 233 1HB TYR 30 2HB TYR 30 -7.967 1.416 0.357 234 2HB TYR 30 1HB TYR 30 -8.398 0.384 1.710 235 HD1 TYR 30 HD1 TYR 30 -10.680 0.219 2.464 236 HD2 TYR 30 HD2 TYR 30 -9.637 2.881 -0.686 237 HE1 TYR 30 HE1 TYR 30 -13.055 0.437 1.866 238 HE2 TYR 30 HE2 TYR 30 -12.009 3.113 -1.287 239 HH TYR 30 HH TYR 30 -14.518 2.178 0.682 240 H ILE 31 H ILE 31 -7.260 3.044 -0.069 241 HA ILE 31 HA ILE 31 -6.473 5.703 0.355 242 HB ILE 31 HB ILE 31 -7.234 4.499 -2.304 243 1HG1 ILE 31 2HG1 ILE 31 -4.573 4.306 -0.874 244 2HG1 ILE 31 1HG1 ILE 31 -5.733 2.987 -1.000 245 1HG2 ILE 31 1HG2 ILE 31 -5.222 6.608 -1.532 246 2HG2 ILE 31 2HG2 ILE 31 -6.774 6.897 -2.320 247 3HG2 ILE 31 3HG2 ILE 31 -5.507 6.002 -3.163 248 1HD1 ILE 31 1HD1 ILE 31 -5.491 3.024 -3.436 249 2HD1 ILE 31 2HD1 ILE 31 -3.956 2.731 -2.620 250 3HD1 ILE 31 3HD1 ILE 31 -4.308 4.323 -3.293 251 H GLU 32 H GLU 32 -7.569 7.503 0.494 252 HA GLU 32 HA GLU 32 -10.176 7.734 -0.859 253 1HB GLU 32 2HB GLU 32 -10.390 7.887 1.590 254 2HB GLU 32 1HB GLU 32 -9.180 9.161 1.622 255 1HG GLU 32 2HG GLU 32 -11.319 10.172 1.844 256 2HG GLU 32 1HG GLU 32 -10.702 10.556 0.241 257 H LYS 33 H LYS 33 -7.512 9.723 0.399 258 HA LYS 33 HA LYS 33 -7.685 11.450 -1.960 259 1HB LYS 33 2HB LYS 33 -7.625 12.452 0.342 260 2HB LYS 33 1HB LYS 33 -6.023 11.767 0.553 261 1HG LYS 33 2HG LYS 33 -5.715 14.037 0.004 262 2HG LYS 33 1HG LYS 33 -5.308 13.122 -1.446 263 1HD LYS 33 2HD LYS 33 -8.108 14.017 -1.179 264 2HD LYS 33 1HD LYS 33 -6.900 15.260 -1.478 265 1HE LYS 33 2HE LYS 33 -6.172 14.132 -3.480 266 2HE LYS 33 1HE LYS 33 -7.249 12.776 -3.144 267 1HZ LYS 33 1HZ LYS 33 -9.139 14.193 -3.460 268 2HZ LYS 33 2HZ LYS 33 -8.133 14.320 -4.818 269 3HZ LYS 33 3HZ LYS 33 -8.155 15.559 -3.662 270 H TRP 34 H TRP 34 -6.227 11.222 -3.570 271 HA TRP 34 HA TRP 34 -3.658 9.919 -3.001 272 1HB TRP 34 2HB TRP 34 -5.200 8.176 -3.774 273 2HB TRP 34 1HB TRP 34 -5.608 9.138 -5.186 274 HD1 TRP 34 HD1 TRP 34 -3.925 9.081 -7.237 275 HE1 TRP 34 HE1 TRP 34 -1.969 7.517 -7.837 276 HE3 TRP 34 HE3 TRP 34 -3.238 6.852 -2.678 277 HZ2 TRP 34 HZ2 TRP 34 -0.349 5.603 -6.549 278 HZ3 TRP 34 HZ3 TRP 34 -1.459 5.167 -2.452 279 HH2 TRP 34 HH2 TRP 34 -0.048 4.557 -4.347 280 H ASN 35 H ASN 35 -2.208 11.484 -3.576 281 HA ASN 35 HA ASN 35 -2.832 13.040 -5.989 282 1HB ASN 35 2HB ASN 35 -1.124 13.672 -3.598 283 2HB ASN 35 1HB ASN 35 -1.013 14.600 -5.090 284 1HD2 ASN 35 1HD2 ASN 35 -1.876 15.398 -2.410 285 2HD2 ASN 35 2HD2 ASN 35 -3.464 16.057 -2.607 286 H LEU 36 H LEU 36 -0.851 10.586 -4.907 287 HA LEU 36 HA LEU 36 1.558 11.008 -6.210 288 1HB LEU 36 2HB LEU 36 0.048 8.466 -5.680 289 2HB LEU 36 1HB LEU 36 1.610 8.468 -6.461 290 HG LEU 36 HG LEU 36 1.093 9.571 -3.710 291 1HD1 LEU 36 1HD1 LEU 36 2.339 6.958 -4.553 292 2HD1 LEU 36 2HD1 LEU 36 0.783 7.155 -3.745 293 3HD1 LEU 36 3HD1 LEU 36 2.274 7.582 -2.905 294 1HD2 LEU 36 1HD2 LEU 36 3.650 9.047 -5.215 295 2HD2 LEU 36 2HD2 LEU 36 3.536 9.576 -3.537 296 3HD2 LEU 36 3HD2 LEU 36 2.969 10.630 -4.832 297 H ARG 37 H ARG 37 2.235 10.943 -8.219 298 HA ARG 37 HA ARG 37 0.301 10.809 -10.341 299 1HB ARG 37 2HB ARG 37 3.268 11.338 -10.291 300 2HB ARG 37 1HB ARG 37 2.336 11.272 -11.780 301 1HG ARG 37 2HG ARG 37 0.998 13.139 -11.104 302 2HG ARG 37 1HG ARG 37 1.744 13.145 -9.503 303 1HD ARG 37 2HD ARG 37 3.848 13.801 -10.407 304 2HD ARG 37 1HD ARG 37 3.284 13.547 -12.058 305 HE ARG 37 HE ARG 37 1.771 15.459 -11.688 306 1HH1 ARG 37 1HH1 ARG 37 4.542 15.091 -9.569 307 2HH1 ARG 37 2HH1 ARG 37 4.646 16.794 -9.213 308 1HH2 ARG 37 1HH2 ARG 37 1.933 17.685 -11.253 309 2HH2 ARG 37 2HH2 ARG 37 3.176 18.267 -10.187 310 H ALA 38 H ALA 38 0.004 8.479 -9.446 311 HA ALA 38 HA ALA 38 1.206 6.742 -11.451 312 1HB ALA 38 1HB ALA 38 2.623 6.420 -9.483 313 2HB ALA 38 2HB ALA 38 1.660 4.974 -9.790 314 3HB ALA 38 3HB ALA 38 1.199 6.083 -8.499 315 HA PRO 39 HA PRO 39 -2.992 5.481 -11.954 316 1HB PRO 39 2HB PRO 39 -2.509 2.810 -12.567 317 2HB PRO 39 1HB PRO 39 -2.511 4.145 -13.723 318 1HG PRO 39 2HG PRO 39 -0.214 2.818 -12.357 319 2HG PRO 39 1HG PRO 39 -0.335 3.427 -14.019 320 1HD PRO 39 2HD PRO 39 1.000 4.788 -12.138 321 2HD PRO 39 1HD PRO 39 0.029 5.630 -13.365 322 H LEU 40 H LEU 40 -4.552 4.766 -10.658 323 HA LEU 40 HA LEU 40 -4.038 3.985 -8.041 324 1HB LEU 40 2HB LEU 40 -6.466 4.045 -9.771 325 2HB LEU 40 1HB LEU 40 -6.556 3.218 -8.236 326 HG LEU 40 HG LEU 40 -7.401 5.475 -8.011 327 1HD1 LEU 40 1HD1 LEU 40 -4.716 5.168 -6.677 328 2HD1 LEU 40 2HD1 LEU 40 -6.249 4.519 -6.096 329 3HD1 LEU 40 3HD1 LEU 40 -6.004 6.265 -6.174 330 1HD2 LEU 40 1HD2 LEU 40 -4.682 6.376 -8.950 331 2HD2 LEU 40 2HD2 LEU 40 -5.960 7.424 -8.336 332 3HD2 LEU 40 3HD2 LEU 40 -6.197 6.534 -9.839 333 HA PRO 41 HA PRO 41 -2.997 -0.310 -8.571 334 1HB PRO 41 2HB PRO 41 -3.242 -0.920 -5.895 335 2HB PRO 41 1HB PRO 41 -1.795 -0.233 -6.638 336 1HG PRO 41 2HG PRO 41 -3.984 1.134 -5.129 337 2HG PRO 41 1HG PRO 41 -2.231 1.408 -5.061 338 1HD PRO 41 2HD PRO 41 -3.850 3.052 -6.427 339 2HD PRO 41 1HD PRO 41 -2.226 2.649 -7.021 340 H THR 42 H THR 42 -4.000 -2.380 -8.218 341 HA THR 42 HA THR 42 -6.918 -2.072 -8.187 342 HB THR 42 HB THR 42 -6.906 -4.362 -9.254 343 HG1 THR 42 HG1 THR 42 -4.104 -3.788 -9.464 344 1HG2 THR 42 1HG2 THR 42 -5.473 -2.121 -10.684 345 2HG2 THR 42 2HG2 THR 42 -7.218 -2.356 -10.591 346 3HG2 THR 42 3HG2 THR 42 -6.217 -3.513 -11.469 347 H GLN 43 H GLN 43 -8.186 -3.877 -7.290 348 HA GLN 43 HA GLN 43 -7.784 -4.202 -4.583 349 1HB GLN 43 2HB GLN 43 -9.877 -4.589 -6.010 350 2HB GLN 43 1HB GLN 43 -9.254 -6.200 -6.296 351 1HG GLN 43 2HG GLN 43 -9.675 -5.156 -3.523 352 2HG GLN 43 1HG GLN 43 -10.981 -5.895 -4.447 353 1HE2 GLN 43 1HE2 GLN 43 -9.713 -6.755 -1.975 354 2HE2 GLN 43 2HE2 GLN 43 -9.071 -8.340 -2.272 355 H ALA 44 H ALA 44 -7.103 -6.538 -7.167 356 HA ALA 44 HA ALA 44 -6.058 -8.597 -5.596 357 1HB ALA 44 1HB ALA 44 -5.247 -7.852 -8.406 358 2HB ALA 44 2HB ALA 44 -6.635 -8.851 -7.972 359 3HB ALA 44 3HB ALA 44 -5.001 -9.414 -7.626 360 H GLU 45 H GLU 45 -4.403 -5.885 -7.147 361 HA GLU 45 HA GLU 45 -1.789 -6.522 -6.379 362 1HB GLU 45 2HB GLU 45 -3.169 -3.947 -7.088 363 2HB GLU 45 1HB GLU 45 -1.474 -3.962 -6.643 364 1HG GLU 45 2HG GLU 45 -0.977 -5.463 -8.485 365 2HG GLU 45 1HG GLU 45 -2.689 -5.534 -8.902 366 H LEU 46 H LEU 46 -4.256 -4.554 -4.765 367 HA LEU 46 HA LEU 46 -2.690 -3.569 -2.686 368 1HB LEU 46 2HB LEU 46 -5.628 -4.243 -2.667 369 2HB LEU 46 1HB LEU 46 -4.813 -3.225 -1.504 370 HG LEU 46 HG LEU 46 -5.177 -2.635 -4.435 371 1HD1 LEU 46 1HD1 LEU 46 -6.600 -0.814 -3.634 372 2HD1 LEU 46 2HD1 LEU 46 -6.378 -1.372 -1.975 373 3HD1 LEU 46 3HD1 LEU 46 -7.220 -2.389 -3.145 374 1HD2 LEU 46 1HD2 LEU 46 -3.049 -1.768 -3.663 375 2HD2 LEU 46 2HD2 LEU 46 -3.834 -1.011 -2.279 376 3HD2 LEU 46 3HD2 LEU 46 -4.189 -0.447 -3.912 377 H GLU 47 H GLU 47 -4.645 -6.544 -2.821 378 HA GLU 47 HA GLU 47 -4.050 -7.285 -0.157 379 1HB GLU 47 2HB GLU 47 -5.168 -8.791 -2.490 380 2HB GLU 47 1HB GLU 47 -4.786 -9.610 -0.981 381 1HG GLU 47 2HG GLU 47 -6.224 -7.829 0.140 382 2HG GLU 47 1HG GLU 47 -6.807 -7.466 -1.482 383 H THR 48 H THR 48 -2.473 -7.965 -3.236 384 HA THR 48 HA THR 48 -0.765 -10.016 -2.326 385 HB THR 48 HB THR 48 -0.212 -7.971 -4.493 386 HG1 THR 48 HG1 THR 48 -1.754 -10.325 -4.387 387 1HG2 THR 48 1HG2 THR 48 1.794 -9.199 -3.812 388 2HG2 THR 48 2HG2 THR 48 1.271 -9.679 -5.426 389 3HG2 THR 48 3HG2 THR 48 0.944 -10.728 -4.047 390 H TRP 49 H TRP 49 -0.360 -6.476 -2.384 391 HA TRP 49 HA TRP 49 2.288 -6.490 -1.380 392 1HB TRP 49 2HB TRP 49 0.180 -4.323 -1.172 393 2HB TRP 49 1HB TRP 49 1.903 -4.104 -0.885 394 HD1 TRP 49 HD1 TRP 49 2.612 -6.038 -3.526 395 HE1 TRP 49 HE1 TRP 49 2.497 -4.913 -5.832 396 HE3 TRP 49 HE3 TRP 49 -0.298 -2.019 -2.310 397 HZ2 TRP 49 HZ2 TRP 49 1.332 -2.616 -6.987 398 HZ3 TRP 49 HZ3 TRP 49 -0.863 -0.401 -4.073 399 HH2 TRP 49 HH2 TRP 49 -0.064 -0.694 -6.362 400 H TRP 50 H TRP 50 -0.871 -6.380 0.172 401 HA TRP 50 HA TRP 50 -0.010 -6.142 2.841 402 1HB TRP 50 2HB TRP 50 -2.342 -5.831 2.277 403 2HB TRP 50 1HB TRP 50 -2.457 -7.465 1.640 404 HD1 TRP 50 HD1 TRP 50 -3.189 -9.308 3.272 405 HE1 TRP 50 HE1 TRP 50 -3.696 -9.423 5.793 406 HE3 TRP 50 HE3 TRP 50 -1.491 -4.684 4.632 407 HZ2 TRP 50 HZ2 TRP 50 -3.413 -7.756 8.054 408 HZ3 TRP 50 HZ3 TRP 50 -1.647 -4.027 6.994 409 HH2 TRP 50 HH2 TRP 50 -2.586 -5.527 8.668 410 H GLU 51 H GLU 51 -0.605 -8.965 0.797 411 HA GLU 51 HA GLU 51 -0.007 -10.902 2.733 412 1HB GLU 51 2HB GLU 51 -0.202 -10.861 -0.250 413 2HB GLU 51 1HB GLU 51 0.364 -12.299 0.568 414 1HG GLU 51 2HG GLU 51 -1.721 -12.271 1.930 415 2HG GLU 51 1HG GLU 51 -2.287 -10.935 0.930 416 H GLU 52 H GLU 52 2.027 -9.238 0.347 417 HA GLU 52 HA GLU 52 4.395 -10.668 0.774 418 1HB GLU 52 2HB GLU 52 3.950 -7.771 0.064 419 2HB GLU 52 1HB GLU 52 5.543 -8.510 0.119 420 1HG GLU 52 2HG GLU 52 4.835 -10.119 -1.590 421 2HG GLU 52 1HG GLU 52 3.266 -9.321 -1.665 422 H LEU 53 H LEU 53 3.108 -7.802 2.398 423 HA LEU 53 HA LEU 53 5.159 -7.447 4.284 424 1HB LEU 53 2HB LEU 53 3.611 -5.679 3.949 425 2HB LEU 53 1HB LEU 53 2.238 -6.718 4.273 426 HG LEU 53 HG LEU 53 2.948 -6.865 6.655 427 1HD1 LEU 53 1HD1 LEU 53 4.978 -4.787 5.820 428 2HD1 LEU 53 2HD1 LEU 53 5.324 -6.423 6.379 429 3HD1 LEU 53 3HD1 LEU 53 4.608 -5.246 7.481 430 1HD2 LEU 53 1HD2 LEU 53 2.510 -4.076 5.580 431 2HD2 LEU 53 2HD2 LEU 53 2.245 -4.596 7.245 432 3HD2 LEU 53 3HD2 LEU 53 1.256 -5.262 5.945 433 H GLN 54 H GLN 54 2.114 -9.246 4.460 434 HA GLN 54 HA GLN 54 2.334 -9.933 7.178 435 1HB GLN 54 2HB GLN 54 0.368 -10.115 5.348 436 2HB GLN 54 1HB GLN 54 0.893 -11.792 5.395 437 1HG GLN 54 2HG GLN 54 -0.921 -11.458 6.939 438 2HG GLN 54 1HG GLN 54 0.563 -11.812 7.826 439 1HE2 GLN 54 1HE2 GLN 54 -0.142 -10.817 9.714 440 2HE2 GLN 54 2HE2 GLN 54 -0.315 -9.102 9.853 441 H LYS 55 H LYS 55 3.683 -11.351 4.304 442 HA LYS 55 HA LYS 55 4.454 -13.772 5.747 443 1HB LYS 55 2HB LYS 55 3.508 -13.663 3.327 444 2HB LYS 55 1HB LYS 55 5.149 -13.206 2.890 445 1HG LYS 55 2HG LYS 55 5.992 -15.270 3.856 446 2HG LYS 55 1HG LYS 55 4.354 -15.730 4.325 447 1HD LYS 55 2HD LYS 55 3.724 -15.577 1.902 448 2HD LYS 55 1HD LYS 55 5.440 -15.382 1.542 449 1HE LYS 55 2HE LYS 55 5.912 -17.536 2.584 450 2HE LYS 55 1HE LYS 55 4.202 -17.735 2.966 451 1HZ LYS 55 1HZ LYS 55 5.449 -17.658 0.276 452 2HZ LYS 55 2HZ LYS 55 3.774 -17.591 0.529 453 3HZ LYS 55 3HZ LYS 55 4.648 -18.962 1.005 454 H ASN 56 H ASN 56 5.620 -10.773 5.536 455 HA ASN 56 HA ASN 56 8.426 -11.461 5.147 456 1HB ASN 56 2HB ASN 56 7.423 -9.338 4.222 457 2HB ASN 56 1HB ASN 56 7.213 -8.780 5.875 458 1HD2 ASN 56 1HD2 ASN 56 8.815 -7.809 3.557 459 2HD2 ASN 56 2HD2 ASN 56 10.421 -7.617 4.186 460 HA PRO 57 HA PRO 57 9.033 -12.538 9.431 461 1HB PRO 57 2HB PRO 57 11.731 -11.721 9.409 462 2HB PRO 57 1HB PRO 57 11.117 -13.346 9.105 463 1HG PRO 57 2HG PRO 57 11.923 -11.234 7.175 464 2HG PRO 57 1HG PRO 57 12.066 -12.995 7.041 465 1HD PRO 57 2HD PRO 57 10.199 -11.647 5.680 466 2HD PRO 57 1HD PRO 57 9.852 -13.247 6.374 467 HA PRO 58 HA PRO 58 8.266 -8.910 11.751 468 1HB PRO 58 2HB PRO 58 9.891 -9.610 13.958 469 2HB PRO 58 1HB PRO 58 8.161 -9.900 13.770 470 1HG PRO 58 2HG PRO 58 10.450 -11.729 13.317 471 2HG PRO 58 1HG PRO 58 8.799 -12.098 13.843 472 1HD PRO 58 2HD PRO 58 9.645 -12.657 11.359 473 2HD PRO 58 1HD PRO 58 7.981 -12.116 11.670 474 H TYR 59 H TYR 59 9.112 -6.946 12.078 475 HA TYR 59 HA TYR 59 11.686 -6.411 10.917 476 1HB TYR 59 2HB TYR 59 9.741 -4.968 10.478 477 2HB TYR 59 1HB TYR 59 9.654 -4.556 12.185 478 HD1 TYR 59 HD1 TYR 59 11.032 -2.839 13.098 479 HD2 TYR 59 HD2 TYR 59 11.665 -4.173 9.109 480 HE1 TYR 59 HE1 TYR 59 12.504 -0.913 12.697 481 HE2 TYR 59 HE2 TYR 59 13.144 -2.249 8.699 482 HH TYR 59 HH TYR 59 13.516 0.007 9.583 483 H GLU 60 H GLU 60 13.511 -6.526 12.026 484 HA GLU 60 HA GLU 60 13.550 -6.368 14.910 485 1HB GLU 60 2HB GLU 60 15.584 -6.931 12.786 486 2HB GLU 60 1HB GLU 60 16.116 -6.525 14.412 487 1HG GLU 60 2HG GLU 60 14.228 -8.771 13.755 488 2HG GLU 60 1HG GLU 60 15.970 -8.955 13.958 Start of MODEL 5 1 1H MET 1 1H MET 1 -9.795 -4.567 6.470 2 2H MET 1 2H MET 1 -8.657 -4.855 7.694 3 3H MET 1 3H MET 1 -9.154 -6.123 6.690 4 HA MET 1 HA MET 1 -6.945 -5.276 6.131 5 1HB MET 1 2HB MET 1 -8.364 -6.351 4.427 6 2HB MET 1 1HB MET 1 -9.081 -4.793 4.041 7 1HG MET 1 2HG MET 1 -6.871 -3.973 3.342 8 2HG MET 1 1HG MET 1 -6.195 -5.566 3.670 9 1HE MET 1 1HE MET 1 -5.202 -5.712 1.200 10 2HE MET 1 2HE MET 1 -5.828 -4.090 0.904 11 3HE MET 1 3HE MET 1 -6.160 -5.387 -0.244 12 H ILE 2 H ILE 2 -6.041 -3.476 7.007 13 HA ILE 2 HA ILE 2 -7.090 -0.854 6.278 14 HB ILE 2 HB ILE 2 -4.858 -1.671 8.133 15 1HG1 ILE 2 2HG1 ILE 2 -6.349 -0.427 9.793 16 2HG1 ILE 2 1HG1 ILE 2 -7.589 -0.456 8.548 17 1HG2 ILE 2 1HG2 ILE 2 -4.643 0.702 8.719 18 2HG2 ILE 2 2HG2 ILE 2 -5.749 1.104 7.405 19 3HG2 ILE 2 3HG2 ILE 2 -4.181 0.374 7.050 20 1HD1 ILE 2 1HD1 ILE 2 -7.935 -2.222 10.151 21 2HD1 ILE 2 2HD1 ILE 2 -6.315 -2.849 9.848 22 3HD1 ILE 2 3HD1 ILE 2 -7.532 -2.901 8.574 23 H LEU 3 H LEU 3 -6.373 0.263 4.625 24 HA LEU 3 HA LEU 3 -4.572 -0.749 2.747 25 1HB LEU 3 2HB LEU 3 -6.265 1.561 3.123 26 2HB LEU 3 1HB LEU 3 -4.780 1.988 2.314 27 HG LEU 3 HG LEU 3 -6.525 1.513 0.705 28 1HD1 LEU 3 1HD1 LEU 3 -5.379 -0.179 -0.642 29 2HD1 LEU 3 2HD1 LEU 3 -4.416 -0.634 0.764 30 3HD1 LEU 3 3HD1 LEU 3 -4.251 0.977 0.064 31 1HD2 LEU 3 1HD2 LEU 3 -6.621 -1.240 1.929 32 2HD2 LEU 3 2HD2 LEU 3 -7.500 -0.713 0.493 33 3HD2 LEU 3 3HD2 LEU 3 -7.872 -0.004 2.064 34 H TYR 4 H TYR 4 -4.127 1.409 5.419 35 HA TYR 4 HA TYR 4 -1.865 2.808 4.740 36 1HB TYR 4 2HB TYR 4 -3.005 3.362 6.746 37 2HB TYR 4 1HB TYR 4 -2.797 1.742 7.399 38 HD1 TYR 4 HD1 TYR 4 -1.093 1.355 8.920 39 HD2 TYR 4 HD2 TYR 4 -0.777 4.694 6.304 40 HE1 TYR 4 HE1 TYR 4 0.948 2.067 10.087 41 HE2 TYR 4 HE2 TYR 4 1.265 5.417 7.471 42 HH TYR 4 HH TYR 4 2.906 3.408 9.723 43 H ASP 5 H ASP 5 -2.000 -0.438 6.181 44 HA ASP 5 HA ASP 5 0.773 -0.724 6.542 45 1HB ASP 5 2HB ASP 5 -1.460 -2.719 6.251 46 2HB ASP 5 1HB ASP 5 0.204 -3.212 6.529 47 H ALA 6 H ALA 6 -1.346 -1.860 3.955 48 HA ALA 6 HA ALA 6 0.593 -3.082 2.364 49 1HB ALA 6 1HB ALA 6 -1.970 -1.763 1.485 50 2HB ALA 6 2HB ALA 6 -1.813 -3.419 2.071 51 3HB ALA 6 3HB ALA 6 -1.035 -2.943 0.563 52 H ILE 7 H ILE 7 -0.655 0.246 2.275 53 HA ILE 7 HA ILE 7 0.825 1.071 0.020 54 HB ILE 7 HB ILE 7 -0.165 2.777 2.314 55 1HG1 ILE 7 2HG1 ILE 7 -1.452 2.158 -0.361 56 2HG1 ILE 7 1HG1 ILE 7 -1.943 1.470 1.189 57 1HG2 ILE 7 1HG2 ILE 7 0.650 3.550 -0.488 58 2HG2 ILE 7 2HG2 ILE 7 1.537 3.910 0.992 59 3HG2 ILE 7 3HG2 ILE 7 -0.049 4.631 0.718 60 1HD1 ILE 7 1HD1 ILE 7 -2.028 4.389 0.446 61 2HD1 ILE 7 2HD1 ILE 7 -2.538 3.695 1.984 62 3HD1 ILE 7 3HD1 ILE 7 -3.408 3.290 0.506 63 H MET 8 H MET 8 1.556 1.164 3.477 64 HA MET 8 HA MET 8 3.917 2.693 3.278 65 1HB MET 8 2HB MET 8 2.637 2.273 5.378 66 2HB MET 8 1HB MET 8 3.235 0.622 5.368 67 1HG MET 8 2HG MET 8 4.740 1.545 6.784 68 2HG MET 8 1HG MET 8 5.574 1.839 5.261 69 1HE MET 8 1HE MET 8 4.846 5.654 4.654 70 2HE MET 8 2HE MET 8 3.815 4.351 4.070 71 3HE MET 8 3HE MET 8 5.569 4.180 4.009 72 H TYR 9 H TYR 9 3.260 -0.698 2.809 73 HA TYR 9 HA TYR 9 6.001 -1.519 2.906 74 1HB TYR 9 2HB TYR 9 4.143 -3.075 3.394 75 2HB TYR 9 1HB TYR 9 3.595 -2.936 1.728 76 HD1 TYR 9 HD1 TYR 9 6.571 -3.953 3.746 77 HD2 TYR 9 HD2 TYR 9 4.368 -4.446 0.135 78 HE1 TYR 9 HE1 TYR 9 8.030 -5.829 3.117 79 HE2 TYR 9 HE2 TYR 9 5.820 -6.326 -0.499 80 HH TYR 9 HH TYR 9 8.059 -7.159 -0.020 81 H LYS 10 H LYS 10 3.726 -0.599 0.374 82 HA LYS 10 HA LYS 10 5.491 -1.276 -1.783 83 1HB LYS 10 2HB LYS 10 3.036 -1.247 -2.045 84 2HB LYS 10 1HB LYS 10 3.037 0.483 -1.763 85 1HG LYS 10 2HG LYS 10 2.866 0.273 -4.072 86 2HG LYS 10 1HG LYS 10 4.565 0.652 -3.796 87 1HD LYS 10 2HD LYS 10 5.133 -1.707 -4.003 88 2HD LYS 10 1HD LYS 10 3.433 -2.109 -4.246 89 1HE LYS 10 2HE LYS 10 3.529 -0.485 -6.226 90 2HE LYS 10 1HE LYS 10 5.281 -0.584 -6.060 91 1HZ LYS 10 1HZ LYS 10 3.389 -2.779 -6.706 92 2HZ LYS 10 2HZ LYS 10 4.999 -3.061 -6.245 93 3HZ LYS 10 3HZ LYS 10 4.663 -2.183 -7.655 94 H TYR 11 H TYR 11 4.533 1.738 -0.173 95 HA TYR 11 HA TYR 11 6.847 3.043 -1.438 96 1HB TYR 11 2HB TYR 11 4.141 4.284 -0.904 97 2HB TYR 11 1HB TYR 11 5.552 5.143 -1.508 98 HD1 TYR 11 HD1 TYR 11 2.578 3.566 -2.430 99 HD2 TYR 11 HD2 TYR 11 6.604 4.056 -3.712 100 HE1 TYR 11 HE1 TYR 11 1.908 2.999 -4.730 101 HE2 TYR 11 HE2 TYR 11 5.947 3.500 -6.014 102 HH TYR 11 HH TYR 11 2.723 3.377 -7.038 103 HA PRO 12 HA PRO 12 7.343 3.423 3.141 104 1HB PRO 12 2HB PRO 12 10.181 3.325 2.363 105 2HB PRO 12 1HB PRO 12 9.310 2.360 3.554 106 1HG PRO 12 2HG PRO 12 10.140 1.301 1.241 107 2HG PRO 12 1HG PRO 12 8.608 0.812 1.988 108 1HD PRO 12 2HD PRO 12 9.085 2.703 -0.290 109 2HD PRO 12 1HD PRO 12 7.840 1.448 -0.111 110 H ASN 13 H ASN 13 8.581 5.057 0.359 111 HA ASN 13 HA ASN 13 9.700 7.265 1.871 112 1HB ASN 13 2HB ASN 13 9.513 6.713 -1.094 113 2HB ASN 13 1HB ASN 13 10.254 8.150 -0.409 114 1HD2 ASN 13 1HD2 ASN 13 11.401 6.005 -2.031 115 2HD2 ASN 13 2HD2 ASN 13 12.718 5.366 -1.101 116 H ALA 14 H ALA 14 6.654 6.467 1.189 117 HA ALA 14 HA ALA 14 5.785 9.171 0.459 118 1HB ALA 14 1HB ALA 14 4.801 7.327 -0.811 119 2HB ALA 14 2HB ALA 14 3.576 8.185 0.124 120 3HB ALA 14 3HB ALA 14 4.180 6.626 0.683 121 H VAL 15 H VAL 15 4.620 10.454 1.854 122 HA VAL 15 HA VAL 15 4.682 9.582 4.649 123 HB VAL 15 HB VAL 15 4.230 12.363 3.550 124 1HG1 VAL 15 1HG1 VAL 15 4.752 11.382 6.357 125 2HG1 VAL 15 2HG1 VAL 15 3.253 12.089 5.751 126 3HG1 VAL 15 3HG1 VAL 15 4.710 13.076 5.868 127 1HG2 VAL 15 1HG2 VAL 15 6.468 11.550 3.014 128 2HG2 VAL 15 2HG2 VAL 15 6.725 11.118 4.704 129 3HG2 VAL 15 3HG2 VAL 15 6.536 12.810 4.248 130 H SER 16 H SER 16 2.914 8.907 5.604 131 HA SER 16 HA SER 16 0.368 8.876 4.436 132 1HB SER 16 2HB SER 16 0.775 8.708 7.409 133 2HB SER 16 1HB SER 16 -0.337 7.801 6.388 134 HG SER 16 HG SER 16 2.009 7.018 7.218 135 H ARG 17 H ARG 17 -1.391 10.168 4.620 136 HA ARG 17 HA ARG 17 -2.700 11.956 5.076 137 1HB ARG 17 2HB ARG 17 -0.909 12.187 7.493 138 2HB ARG 17 1HB ARG 17 -2.247 13.287 7.191 139 1HG ARG 17 2HG ARG 17 -3.789 11.362 7.195 140 2HG ARG 17 1HG ARG 17 -2.434 10.307 7.588 141 1HD ARG 17 2HD ARG 17 -3.261 12.659 9.276 142 2HD ARG 17 1HD ARG 17 -3.845 11.019 9.540 143 HE ARG 17 HE ARG 17 -1.220 10.628 9.619 144 1HH1 ARG 17 1HH1 ARG 17 -3.162 13.131 11.108 145 2HH1 ARG 17 2HH1 ARG 17 -2.124 13.293 12.491 146 1HH2 ARG 17 1HH2 ARG 17 0.140 10.825 11.425 147 2HH2 ARG 17 2HH2 ARG 17 -0.236 11.978 12.670 148 H LYS 18 H LYS 18 0.124 12.087 3.767 149 HA LYS 18 HA LYS 18 0.185 15.024 3.608 150 1HB LYS 18 2HB LYS 18 2.266 14.277 4.507 151 2HB LYS 18 1HB LYS 18 2.409 13.010 3.298 152 1HG LYS 18 2HG LYS 18 3.925 14.889 2.885 153 2HG LYS 18 1HG LYS 18 2.779 14.647 1.567 154 1HD LYS 18 2HD LYS 18 1.374 16.454 2.535 155 2HD LYS 18 1HD LYS 18 2.640 16.746 3.730 156 1HE LYS 18 2HE LYS 18 2.800 18.305 1.848 157 2HE LYS 18 1HE LYS 18 4.223 17.271 1.963 158 1HZ LYS 18 1HZ LYS 18 1.964 16.972 0.050 159 2HZ LYS 18 2HZ LYS 18 3.224 15.851 0.217 160 3HZ LYS 18 3HZ LYS 18 3.556 17.427 -0.314 161 H ASP 19 H ASP 19 1.398 12.385 1.516 162 HA ASP 19 HA ASP 19 0.149 13.799 -0.731 163 1HB ASP 19 2HB ASP 19 2.473 11.906 -0.569 164 2HB ASP 19 1HB ASP 19 1.661 12.209 -2.101 165 H PHE 20 H PHE 20 -0.481 11.293 1.280 166 HA PHE 20 HA PHE 20 -2.669 10.578 -0.456 167 1HB PHE 20 2HB PHE 20 -2.462 8.168 -0.130 168 2HB PHE 20 1HB PHE 20 -1.046 8.804 -0.951 169 HD1 PHE 20 HD1 PHE 20 1.103 8.999 0.283 170 HD2 PHE 20 HD2 PHE 20 -2.302 7.069 1.951 171 HE1 PHE 20 HE1 PHE 20 2.549 7.872 1.922 172 HE2 PHE 20 HE2 PHE 20 -0.862 5.941 3.598 173 HZ PHE 20 HZ PHE 20 1.570 6.344 3.583 174 H GLU 21 H GLU 21 -4.485 10.664 0.637 175 HA GLU 21 HA GLU 21 -4.297 10.688 3.570 176 1HB GLU 21 2HB GLU 21 -4.908 12.845 2.557 177 2HB GLU 21 1HB GLU 21 -6.280 12.086 1.767 178 1HG GLU 21 2HG GLU 21 -7.400 11.753 3.813 179 2HG GLU 21 1HG GLU 21 -5.951 12.121 4.748 180 H LEU 22 H LEU 22 -5.419 9.256 4.691 181 HA LEU 22 HA LEU 22 -7.007 7.328 3.147 182 1HB LEU 22 2HB LEU 22 -5.792 6.921 5.873 183 2HB LEU 22 1HB LEU 22 -6.423 5.698 4.787 184 HG LEU 22 HG LEU 22 -3.932 7.341 4.321 185 1HD1 LEU 22 1HD1 LEU 22 -2.751 5.225 4.656 186 2HD1 LEU 22 2HD1 LEU 22 -4.278 4.436 5.051 187 3HD1 LEU 22 3HD1 LEU 22 -3.644 5.705 6.099 188 1HD2 LEU 22 1HD2 LEU 22 -3.553 5.836 2.432 189 2HD2 LEU 22 2HD2 LEU 22 -5.035 6.772 2.231 190 3HD2 LEU 22 3HD2 LEU 22 -5.120 5.079 2.721 191 H ARG 23 H ARG 23 -8.906 6.454 4.042 192 HA ARG 23 HA ARG 23 -10.094 7.923 6.296 193 1HB ARG 23 2HB ARG 23 -11.064 7.842 3.528 194 2HB ARG 23 1HB ARG 23 -12.274 7.400 4.724 195 1HG ARG 23 2HG ARG 23 -12.474 9.718 4.346 196 2HG ARG 23 1HG ARG 23 -11.733 9.516 5.929 197 1HD ARG 23 2HD ARG 23 -9.549 9.979 5.014 198 2HD ARG 23 1HD ARG 23 -10.218 10.073 3.386 199 HE ARG 23 HE ARG 23 -11.366 12.089 4.046 200 1HH1 ARG 23 1HH1 ARG 23 -8.895 10.913 6.217 201 2HH1 ARG 23 2HH1 ARG 23 -8.615 12.454 6.963 202 1HH2 ARG 23 1HH2 ARG 23 -11.018 14.138 5.011 203 2HH2 ARG 23 2HH2 ARG 23 -9.808 14.306 6.251 204 H ASN 24 H ASN 24 -12.223 6.809 6.906 205 HA ASN 24 HA ASN 24 -11.588 3.989 7.272 206 1HB ASN 24 2HB ASN 24 -12.335 5.458 9.180 207 2HB ASN 24 1HB ASN 24 -13.921 5.531 8.423 208 1HD2 ASN 24 1HD2 ASN 24 -15.274 3.781 8.522 209 2HD2 ASN 24 2HD2 ASN 24 -14.939 2.392 9.501 210 H ASP 25 H ASP 25 -12.399 2.455 6.037 211 HA ASP 25 HA ASP 25 -14.461 3.031 4.090 212 1HB ASP 25 2HB ASP 25 -12.606 1.633 3.404 213 2HB ASP 25 1HB ASP 25 -12.893 0.524 4.739 214 H GLY 26 H GLY 26 -14.078 1.193 7.029 215 1HA GLY 26 2HA GLY 26 -16.462 1.204 8.156 216 2HA GLY 26 1HA GLY 26 -16.765 0.073 6.840 217 H ASN 27 H ASN 27 -14.729 -1.504 6.641 218 HA ASN 27 HA ASN 27 -14.516 -2.785 9.261 219 1HB ASN 27 2HB ASN 27 -15.342 -4.085 7.273 220 2HB ASN 27 1HB ASN 27 -13.747 -3.891 6.556 221 1HD2 ASN 27 1HD2 ASN 27 -13.333 -6.077 6.513 222 2HD2 ASN 27 2HD2 ASN 27 -13.028 -7.001 7.951 223 H GLY 28 H GLY 28 -12.798 -0.822 7.199 224 1HA GLY 28 2HA GLY 28 -10.465 -0.889 8.838 225 2HA GLY 28 1HA GLY 28 -10.182 -1.630 7.270 226 H SER 29 H SER 29 -8.603 0.199 7.161 227 HA SER 29 HA SER 29 -9.871 2.746 6.438 228 1HB SER 29 2HB SER 29 -6.950 2.112 6.931 229 2HB SER 29 1HB SER 29 -7.623 3.713 6.626 230 HG SER 29 HG SER 29 -8.882 2.431 8.682 231 H TYR 30 H TYR 30 -9.627 3.637 4.409 232 HA TYR 30 HA TYR 30 -8.030 2.148 2.455 233 1HB TYR 30 2HB TYR 30 -9.766 2.098 0.817 234 2HB TYR 30 1HB TYR 30 -10.438 1.437 2.296 235 HD1 TYR 30 HD1 TYR 30 -11.599 2.890 -0.334 236 HD2 TYR 30 HD2 TYR 30 -11.131 3.955 3.756 237 HE1 TYR 30 HE1 TYR 30 -13.489 4.451 -0.531 238 HE2 TYR 30 HE2 TYR 30 -13.020 5.513 3.570 239 HH TYR 30 HH TYR 30 -14.144 6.834 1.644 240 H ILE 31 H ILE 31 -8.211 3.512 0.255 241 HA ILE 31 HA ILE 31 -6.990 6.055 0.970 242 HB ILE 31 HB ILE 31 -7.366 4.866 -1.786 243 1HG1 ILE 31 2HG1 ILE 31 -4.977 4.631 0.061 244 2HG1 ILE 31 1HG1 ILE 31 -6.122 3.334 -0.272 245 1HG2 ILE 31 1HG2 ILE 31 -5.489 6.336 -2.381 246 2HG2 ILE 31 2HG2 ILE 31 -5.466 6.954 -0.730 247 3HG2 ILE 31 3HG2 ILE 31 -6.865 7.251 -1.761 248 1HD1 ILE 31 1HD1 ILE 31 -4.372 4.673 -2.322 249 2HD1 ILE 31 2HD1 ILE 31 -5.474 3.327 -2.605 250 3HD1 ILE 31 3HD1 ILE 31 -4.060 3.108 -1.571 251 H GLU 32 H GLU 32 -7.958 8.000 0.797 252 HA GLU 32 HA GLU 32 -10.453 8.144 -0.763 253 1HB GLU 32 2HB GLU 32 -10.730 8.634 1.651 254 2HB GLU 32 1HB GLU 32 -9.561 9.940 1.504 255 1HG GLU 32 2HG GLU 32 -11.419 10.460 -0.481 256 2HG GLU 32 1HG GLU 32 -12.381 9.896 0.883 257 H LYS 33 H LYS 33 -7.654 10.076 0.257 258 HA LYS 33 HA LYS 33 -7.944 11.647 -2.203 259 1HB LYS 33 2HB LYS 33 -8.200 12.840 -0.044 260 2HB LYS 33 1HB LYS 33 -6.570 12.355 0.390 261 1HG LYS 33 2HG LYS 33 -5.684 13.643 -1.471 262 2HG LYS 33 1HG LYS 33 -7.318 14.113 -1.925 263 1HD LYS 33 2HD LYS 33 -6.244 14.643 0.804 264 2HD LYS 33 1HD LYS 33 -5.927 15.738 -0.529 265 1HE LYS 33 2HE LYS 33 -7.822 16.576 0.617 266 2HE LYS 33 1HE LYS 33 -8.404 15.872 -0.884 267 1HZ LYS 33 1HZ LYS 33 -9.136 13.925 0.321 268 2HZ LYS 33 2HZ LYS 33 -9.798 15.305 1.030 269 3HZ LYS 33 3HZ LYS 33 -8.491 14.524 1.772 270 H TRP 34 H TRP 34 -6.597 10.963 -3.706 271 HA TRP 34 HA TRP 34 -3.947 9.955 -2.931 272 1HB TRP 34 2HB TRP 34 -5.457 8.437 -4.234 273 2HB TRP 34 1HB TRP 34 -5.427 9.602 -5.550 274 HD1 TRP 34 HD1 TRP 34 -3.469 9.442 -7.230 275 HE1 TRP 34 HE1 TRP 34 -1.407 7.917 -7.454 276 HE3 TRP 34 HE3 TRP 34 -3.655 7.167 -2.659 277 HZ2 TRP 34 HZ2 TRP 34 -0.033 6.012 -5.886 278 HZ3 TRP 34 HZ3 TRP 34 -1.929 5.504 -2.096 279 HH2 TRP 34 HH2 TRP 34 -0.156 4.940 -3.678 280 H ASN 35 H ASN 35 -2.383 11.418 -3.110 281 HA ASN 35 HA ASN 35 -2.673 13.533 -5.150 282 1HB ASN 35 2HB ASN 35 -2.757 13.967 -2.509 283 2HB ASN 35 1HB ASN 35 -1.011 13.977 -2.716 284 1HD2 ASN 35 1HD2 ASN 35 -2.769 16.109 -1.930 285 2HD2 ASN 35 2HD2 ASN 35 -2.567 17.371 -3.095 286 H LEU 36 H LEU 36 -1.091 10.808 -4.656 287 HA LEU 36 HA LEU 36 1.631 11.655 -5.088 288 1HB LEU 36 2HB LEU 36 0.275 8.971 -4.992 289 2HB LEU 36 1HB LEU 36 1.951 9.139 -5.469 290 HG LEU 36 HG LEU 36 0.873 10.065 -2.816 291 1HD1 LEU 36 1HD1 LEU 36 1.938 8.079 -1.874 292 2HD1 LEU 36 2HD1 LEU 36 2.363 7.533 -3.497 293 3HD1 LEU 36 3HD1 LEU 36 0.670 7.638 -3.017 294 1HD2 LEU 36 1HD2 LEU 36 3.681 9.688 -3.844 295 2HD2 LEU 36 2HD2 LEU 36 3.241 10.153 -2.202 296 3HD2 LEU 36 3HD2 LEU 36 2.878 11.230 -3.549 297 H ARG 37 H ARG 37 2.856 11.320 -6.954 298 HA ARG 37 HA ARG 37 1.357 11.519 -9.424 299 1HB ARG 37 2HB ARG 37 4.336 11.558 -8.895 300 2HB ARG 37 1HB ARG 37 3.594 11.858 -10.460 301 1HG ARG 37 2HG ARG 37 2.473 13.825 -9.570 302 2HG ARG 37 1HG ARG 37 3.180 13.516 -7.983 303 1HD ARG 37 2HD ARG 37 5.422 13.751 -8.959 304 2HD ARG 37 1HD ARG 37 4.691 14.112 -10.521 305 HE ARG 37 HE ARG 37 3.614 15.927 -8.750 306 1HH1 ARG 37 1HH1 ARG 37 6.828 15.078 -9.872 307 2HH1 ARG 37 2HH1 ARG 37 7.451 16.687 -9.678 308 1HH2 ARG 37 1HH2 ARG 37 4.435 18.048 -8.512 309 2HH2 ARG 37 2HH2 ARG 37 6.102 18.372 -8.908 310 H ALA 38 H ALA 38 0.987 9.090 -8.216 311 HA ALA 38 HA ALA 38 2.308 7.238 -10.083 312 1HB ALA 38 1HB ALA 38 1.691 6.704 -7.170 313 2HB ALA 38 2HB ALA 38 3.295 6.956 -7.855 314 3HB ALA 38 3HB ALA 38 2.355 5.535 -8.311 315 HA PRO 39 HA PRO 39 -1.827 5.965 -11.052 316 1HB PRO 39 2HB PRO 39 -1.443 3.336 -11.657 317 2HB PRO 39 1HB PRO 39 -0.972 4.656 -12.733 318 1HG PRO 39 2HG PRO 39 0.704 3.063 -10.838 319 2HG PRO 39 1HG PRO 39 1.074 3.587 -12.493 320 1HD PRO 39 2HD PRO 39 2.050 4.863 -10.314 321 2HD PRO 39 1HD PRO 39 1.660 5.718 -11.819 322 H LEU 40 H LEU 40 -3.597 4.762 -10.265 323 HA LEU 40 HA LEU 40 -3.474 4.137 -7.495 324 1HB LEU 40 2HB LEU 40 -5.588 4.037 -9.611 325 2HB LEU 40 1HB LEU 40 -5.872 3.259 -8.073 326 HG LEU 40 HG LEU 40 -6.884 5.438 -8.048 327 1HD1 LEU 40 1HD1 LEU 40 -5.788 6.428 -6.106 328 2HD1 LEU 40 2HD1 LEU 40 -4.370 5.419 -6.390 329 3HD1 LEU 40 3HD1 LEU 40 -5.909 4.673 -5.961 330 1HD2 LEU 40 1HD2 LEU 40 -4.148 6.524 -8.717 331 2HD2 LEU 40 2HD2 LEU 40 -5.570 7.489 -8.317 332 3HD2 LEU 40 3HD2 LEU 40 -5.554 6.508 -9.782 333 HA PRO 41 HA PRO 41 -2.128 -0.094 -7.939 334 1HB PRO 41 2HB PRO 41 -2.811 -0.860 -5.388 335 2HB PRO 41 1HB PRO 41 -1.313 -0.025 -5.814 336 1HG PRO 41 2HG PRO 41 -3.856 1.092 -4.702 337 2HG PRO 41 1HG PRO 41 -2.180 1.480 -4.273 338 1HD PRO 41 2HD PRO 41 -3.618 3.090 -5.860 339 2HD PRO 41 1HD PRO 41 -1.882 2.830 -6.135 340 H THR 42 H THR 42 -3.042 -2.239 -7.860 341 HA THR 42 HA THR 42 -5.916 -2.163 -8.389 342 HB THR 42 HB THR 42 -5.570 -4.431 -9.342 343 HG1 THR 42 HG1 THR 42 -3.363 -5.113 -9.614 344 1HG2 THR 42 1HG2 THR 42 -3.720 -2.301 -10.424 345 2HG2 THR 42 2HG2 THR 42 -5.434 -2.479 -10.801 346 3HG2 THR 42 3HG2 THR 42 -4.284 -3.715 -11.315 347 H GLN 43 H GLN 43 -7.307 -3.771 -7.522 348 HA GLN 43 HA GLN 43 -7.204 -4.209 -4.796 349 1HB GLN 43 2HB GLN 43 -9.165 -4.465 -6.402 350 2HB GLN 43 1HB GLN 43 -8.544 -6.058 -6.772 351 1HG GLN 43 2HG GLN 43 -9.193 -5.255 -3.961 352 2HG GLN 43 1HG GLN 43 -10.427 -5.867 -5.059 353 1HE2 GLN 43 1HE2 GLN 43 -9.340 -6.977 -2.574 354 2HE2 GLN 43 2HE2 GLN 43 -8.741 -8.551 -2.975 355 H ALA 44 H ALA 44 -6.232 -6.323 -7.439 356 HA ALA 44 HA ALA 44 -5.467 -8.570 -5.958 357 1HB ALA 44 1HB ALA 44 -4.203 -9.251 -7.911 358 2HB ALA 44 2HB ALA 44 -4.281 -7.615 -8.563 359 3HB ALA 44 3HB ALA 44 -5.755 -8.571 -8.400 360 H GLU 45 H GLU 45 -3.414 -5.856 -7.093 361 HA GLU 45 HA GLU 45 -1.067 -6.916 -5.970 362 1HB GLU 45 2HB GLU 45 -1.696 -4.708 -7.570 363 2HB GLU 45 1HB GLU 45 -0.975 -4.031 -6.113 364 1HG GLU 45 2HG GLU 45 0.883 -5.689 -6.392 365 2HG GLU 45 1HG GLU 45 0.213 -6.071 -7.970 366 H LEU 46 H LEU 46 -3.540 -4.764 -4.684 367 HA LEU 46 HA LEU 46 -2.307 -3.922 -2.354 368 1HB LEU 46 2HB LEU 46 -5.180 -4.696 -2.835 369 2HB LEU 46 1HB LEU 46 -4.617 -3.872 -1.399 370 HG LEU 46 HG LEU 46 -4.470 -2.782 -4.207 371 1HD1 LEU 46 1HD1 LEU 46 -6.247 -2.026 -1.894 372 2HD1 LEU 46 2HD1 LEU 46 -6.748 -2.898 -3.344 373 3HD1 LEU 46 3HD1 LEU 46 -6.188 -1.231 -3.468 374 1HD2 LEU 46 1HD2 LEU 46 -3.779 -1.505 -1.563 375 2HD2 LEU 46 2HD2 LEU 46 -3.799 -0.693 -3.128 376 3HD2 LEU 46 3HD2 LEU 46 -2.636 -1.979 -2.818 377 H GLU 47 H GLU 47 -4.108 -6.928 -2.951 378 HA GLU 47 HA GLU 47 -3.626 -7.933 -0.329 379 1HB GLU 47 2HB GLU 47 -4.662 -9.241 -2.830 380 2HB GLU 47 1HB GLU 47 -4.470 -10.101 -1.307 381 1HG GLU 47 2HG GLU 47 -5.957 -8.393 -0.256 382 2HG GLU 47 1HG GLU 47 -6.262 -7.762 -1.873 383 H THR 48 H THR 48 -1.947 -8.074 -3.368 384 HA THR 48 HA THR 48 -0.257 -10.264 -2.812 385 HB THR 48 HB THR 48 0.385 -7.819 -4.484 386 HG1 THR 48 HG1 THR 48 -1.527 -9.583 -4.859 387 1HG2 THR 48 1HG2 THR 48 1.888 -9.358 -5.692 388 2HG2 THR 48 2HG2 THR 48 1.516 -10.622 -4.518 389 3HG2 THR 48 3HG2 THR 48 2.357 -9.159 -4.003 390 H TRP 49 H TRP 49 0.162 -6.750 -2.271 391 HA TRP 49 HA TRP 49 2.684 -6.932 -1.009 392 1HB TRP 49 2HB TRP 49 0.581 -4.871 -0.337 393 2HB TRP 49 1HB TRP 49 2.326 -4.703 -0.219 394 HD1 TRP 49 HD1 TRP 49 2.669 -5.954 -3.338 395 HE1 TRP 49 HE1 TRP 49 2.248 -4.289 -5.263 396 HE3 TRP 49 HE3 TRP 49 0.032 -2.402 -0.780 397 HZ2 TRP 49 HZ2 TRP 49 0.983 -1.803 -5.632 398 HZ3 TRP 49 HZ3 TRP 49 -0.737 -0.407 -1.989 399 HH2 TRP 49 HH2 TRP 49 -0.268 -0.113 -4.366 400 H TRP 50 H TRP 50 -0.599 -7.229 0.144 401 HA TRP 50 HA TRP 50 -0.162 -7.126 2.907 402 1HB TRP 50 2HB TRP 50 -2.364 -7.127 1.538 403 2HB TRP 50 1HB TRP 50 -2.250 -8.881 1.634 404 HD1 TRP 50 HD1 TRP 50 -3.054 -10.001 3.845 405 HE1 TRP 50 HE1 TRP 50 -4.017 -9.105 6.064 406 HE3 TRP 50 HE3 TRP 50 -2.102 -5.033 3.172 407 HZ2 TRP 50 HZ2 TRP 50 -4.320 -6.592 7.353 408 HZ3 TRP 50 HZ3 TRP 50 -2.747 -3.452 4.940 409 HH2 TRP 50 HH2 TRP 50 -3.831 -4.219 6.984 410 H GLU 51 H GLU 51 -0.324 -9.936 0.722 411 HA GLU 51 HA GLU 51 0.240 -11.875 2.619 412 1HB GLU 51 2HB GLU 51 -0.658 -11.967 0.152 413 2HB GLU 51 1HB GLU 51 1.050 -12.143 -0.238 414 1HG GLU 51 2HG GLU 51 1.136 -13.980 1.379 415 2HG GLU 51 1HG GLU 51 -0.609 -13.886 1.520 416 H GLU 52 H GLU 52 2.313 -9.948 0.488 417 HA GLU 52 HA GLU 52 4.745 -11.196 1.133 418 1HB GLU 52 2HB GLU 52 4.096 -8.415 0.195 419 2HB GLU 52 1HB GLU 52 5.748 -8.932 0.509 420 1HG GLU 52 2HG GLU 52 5.436 -10.761 -1.122 421 2HG GLU 52 1HG GLU 52 3.840 -10.109 -1.490 422 H LEU 53 H LEU 53 3.170 -8.345 2.551 423 HA LEU 53 HA LEU 53 5.131 -7.765 4.459 424 1HB LEU 53 2HB LEU 53 3.310 -6.241 3.820 425 2HB LEU 53 1HB LEU 53 2.148 -7.306 4.585 426 HG LEU 53 HG LEU 53 3.224 -6.869 6.769 427 1HD1 LEU 53 1HD1 LEU 53 4.812 -5.029 6.978 428 2HD1 LEU 53 2HD1 LEU 53 4.839 -4.848 5.225 429 3HD1 LEU 53 3HD1 LEU 53 5.461 -6.321 5.968 430 1HD2 LEU 53 1HD2 LEU 53 1.279 -5.581 6.094 431 2HD2 LEU 53 2HD2 LEU 53 2.315 -4.425 5.257 432 3HD2 LEU 53 3HD2 LEU 53 2.397 -4.571 7.013 433 H GLN 54 H GLN 54 2.742 -10.245 4.344 434 HA GLN 54 HA GLN 54 2.919 -10.846 7.171 435 1HB GLN 54 2HB GLN 54 1.084 -11.392 5.105 436 2HB GLN 54 1HB GLN 54 1.718 -12.950 5.620 437 1HG GLN 54 2HG GLN 54 -0.270 -12.430 6.863 438 2HG GLN 54 1HG GLN 54 1.123 -12.405 7.940 439 1HE2 GLN 54 1HE2 GLN 54 0.371 -9.835 5.685 440 2HE2 GLN 54 2HE2 GLN 54 -0.045 -8.650 6.882 441 H LYS 55 H LYS 55 3.989 -12.301 4.107 442 HA LYS 55 HA LYS 55 5.190 -14.550 5.460 443 1HB LYS 55 2HB LYS 55 5.077 -13.697 2.594 444 2HB LYS 55 1HB LYS 55 5.975 -15.106 3.123 445 1HG LYS 55 2HG LYS 55 3.958 -16.164 3.893 446 2HG LYS 55 1HG LYS 55 3.019 -14.711 3.533 447 1HD LYS 55 2HD LYS 55 3.520 -14.938 1.178 448 2HD LYS 55 1HD LYS 55 4.549 -16.332 1.502 449 1HE LYS 55 2HE LYS 55 2.613 -17.575 2.313 450 2HE LYS 55 1HE LYS 55 1.581 -16.174 2.019 451 1HZ LYS 55 1HZ LYS 55 3.154 -17.530 -0.105 452 2HZ LYS 55 2HZ LYS 55 1.948 -16.349 -0.309 453 3HZ LYS 55 3HZ LYS 55 1.535 -17.900 0.242 454 H ASN 56 H ASN 56 6.198 -11.474 4.596 455 HA ASN 56 HA ASN 56 9.033 -12.278 4.600 456 1HB ASN 56 2HB ASN 56 8.258 -11.450 2.401 457 2HB ASN 56 1HB ASN 56 7.766 -9.939 3.152 458 1HD2 ASN 56 1HD2 ASN 56 9.098 -8.696 1.905 459 2HD2 ASN 56 2HD2 ASN 56 10.825 -8.699 2.070 460 HA PRO 57 HA PRO 57 8.916 -9.613 8.229 461 1HB PRO 57 2HB PRO 57 11.199 -10.516 9.324 462 2HB PRO 57 1HB PRO 57 9.702 -11.453 9.388 463 1HG PRO 57 2HG PRO 57 12.050 -11.756 7.559 464 2HG PRO 57 1HG PRO 57 11.101 -13.010 8.381 465 1HD PRO 57 2HD PRO 57 10.750 -12.303 5.756 466 2HD PRO 57 1HD PRO 57 9.472 -12.996 6.772 467 HA PRO 58 HA PRO 58 11.601 -6.398 6.666 468 1HB PRO 58 2HB PRO 58 11.238 -5.097 9.264 469 2HB PRO 58 1HB PRO 58 10.706 -4.570 7.666 470 1HG PRO 58 2HG PRO 58 8.973 -5.419 9.551 471 2HG PRO 58 1HG PRO 58 8.698 -5.679 7.819 472 1HD PRO 58 2HD PRO 58 9.722 -7.597 9.885 473 2HD PRO 58 1HD PRO 58 8.561 -7.871 8.567 474 H TYR 59 H TYR 59 13.706 -5.613 7.007 475 HA TYR 59 HA TYR 59 15.398 -7.276 8.575 476 1HB TYR 59 2HB TYR 59 16.180 -6.252 6.474 477 2HB TYR 59 1HB TYR 59 16.043 -4.655 7.202 478 HD1 TYR 59 HD1 TYR 59 17.942 -7.808 7.210 479 HD2 TYR 59 HD2 TYR 59 17.709 -3.845 8.734 480 HE1 TYR 59 HE1 TYR 59 20.240 -8.006 8.063 481 HE2 TYR 59 HE2 TYR 59 20.008 -4.026 9.580 482 HH TYR 59 HH TYR 59 22.124 -6.486 8.663 483 H GLU 60 H GLU 60 15.562 -7.173 10.690 484 HA GLU 60 HA GLU 60 15.054 -4.643 12.071 485 1HB GLU 60 2HB GLU 60 13.835 -6.714 12.748 486 2HB GLU 60 1HB GLU 60 15.375 -7.428 13.198 487 1HG GLU 60 2HG GLU 60 15.679 -5.606 14.848 488 2HG GLU 60 1HG GLU 60 14.061 -5.030 14.444 Start of MODEL 6 1 1H MET 1 1H MET 1 -9.304 -5.820 6.272 2 2H MET 1 2H MET 1 -8.670 -6.036 7.829 3 3H MET 1 3H MET 1 -8.676 -7.329 6.729 4 HA MET 1 HA MET 1 -6.490 -6.252 7.047 5 1HB MET 1 2HB MET 1 -5.936 -6.208 4.663 6 2HB MET 1 1HB MET 1 -6.986 -7.565 5.039 7 1HG MET 1 2HG MET 1 -7.958 -6.831 3.126 8 2HG MET 1 1HG MET 1 -8.868 -5.890 4.303 9 1HE MET 1 1HE MET 1 -5.173 -5.421 2.981 10 2HE MET 1 2HE MET 1 -5.427 -4.226 1.709 11 3HE MET 1 3HE MET 1 -6.099 -5.848 1.538 12 H ILE 2 H ILE 2 -5.138 -4.452 6.466 13 HA ILE 2 HA ILE 2 -6.650 -1.924 6.426 14 HB ILE 2 HB ILE 2 -3.919 -2.455 7.629 15 1HG1 ILE 2 2HG1 ILE 2 -5.223 -1.617 9.728 16 2HG1 ILE 2 1HG1 ILE 2 -6.653 -2.086 8.819 17 1HG2 ILE 2 1HG2 ILE 2 -4.029 -0.225 6.671 18 2HG2 ILE 2 2HG2 ILE 2 -4.020 -0.143 8.433 19 3HG2 ILE 2 3HG2 ILE 2 -5.528 0.093 7.548 20 1HD1 ILE 2 1HD1 ILE 2 -5.818 -4.372 8.684 21 2HD1 ILE 2 2HD1 ILE 2 -5.953 -3.831 10.359 22 3HD1 ILE 2 3HD1 ILE 2 -4.373 -3.900 9.578 23 H LEU 3 H LEU 3 -6.309 -0.558 4.762 24 HA LEU 3 HA LEU 3 -4.775 -1.349 2.548 25 1HB LEU 3 2HB LEU 3 -6.404 0.999 3.346 26 2HB LEU 3 1HB LEU 3 -5.324 1.185 2.000 27 HG LEU 3 HG LEU 3 -7.486 0.658 1.134 28 1HD1 LEU 3 1HD1 LEU 3 -7.070 -1.426 -0.069 29 2HD1 LEU 3 2HD1 LEU 3 -5.753 -1.803 1.041 30 3HD1 LEU 3 3HD1 LEU 3 -5.633 -0.404 -0.024 31 1HD2 LEU 3 1HD2 LEU 3 -7.451 -1.724 2.984 32 2HD2 LEU 3 2HD2 LEU 3 -8.683 -1.397 1.763 33 3HD2 LEU 3 3HD2 LEU 3 -8.480 -0.297 3.128 34 H TYR 4 H TYR 4 -4.287 0.997 5.111 35 HA TYR 4 HA TYR 4 -2.195 2.485 4.107 36 1HB TYR 4 2HB TYR 4 -3.306 3.111 6.148 37 2HB TYR 4 1HB TYR 4 -2.762 1.642 6.950 38 HD1 TYR 4 HD1 TYR 4 -1.145 4.430 5.038 39 HD2 TYR 4 HD2 TYR 4 -1.111 1.989 8.523 40 HE1 TYR 4 HE1 TYR 4 0.837 5.629 5.854 41 HE2 TYR 4 HE2 TYR 4 0.874 3.183 9.343 42 HH TYR 4 HH TYR 4 2.728 4.515 8.446 43 H ASP 5 H ASP 5 -1.988 -0.539 5.963 44 HA ASP 5 HA ASP 5 0.794 -0.663 6.159 45 1HB ASP 5 2HB ASP 5 -1.381 -2.715 6.265 46 2HB ASP 5 1HB ASP 5 0.307 -3.215 6.301 47 H ALA 6 H ALA 6 -1.374 -1.990 3.708 48 HA ALA 6 HA ALA 6 0.612 -3.275 2.173 49 1HB ALA 6 1HB ALA 6 -2.015 -2.166 1.199 50 2HB ALA 6 2HB ALA 6 -1.831 -3.709 2.030 51 3HB ALA 6 3HB ALA 6 -1.063 -3.457 0.465 52 H ILE 7 H ILE 7 -0.876 -0.061 1.900 53 HA ILE 7 HA ILE 7 0.468 0.834 -0.386 54 HB ILE 7 HB ILE 7 -0.382 2.497 1.992 55 1HG1 ILE 7 2HG1 ILE 7 -1.916 1.940 -0.552 56 2HG1 ILE 7 1HG1 ILE 7 -2.189 1.079 0.962 57 1HG2 ILE 7 1HG2 ILE 7 -0.493 4.343 0.371 58 2HG2 ILE 7 2HG2 ILE 7 0.158 3.277 -0.874 59 3HG2 ILE 7 3HG2 ILE 7 1.140 3.697 0.530 60 1HD1 ILE 7 1HD1 ILE 7 -2.499 4.049 0.565 61 2HD1 ILE 7 2HD1 ILE 7 -2.838 3.145 2.043 62 3HD1 ILE 7 3HD1 ILE 7 -3.809 2.871 0.598 63 H MET 8 H MET 8 1.320 1.148 3.044 64 HA MET 8 HA MET 8 3.656 2.672 2.700 65 1HB MET 8 2HB MET 8 2.362 2.274 4.846 66 2HB MET 8 1HB MET 8 3.138 0.700 4.929 67 1HG MET 8 2HG MET 8 4.549 1.862 6.255 68 2HG MET 8 1HG MET 8 5.326 2.170 4.703 69 1HE MET 8 1HE MET 8 5.140 4.440 3.378 70 2HE MET 8 2HE MET 8 4.203 5.835 3.913 71 3HE MET 8 3HE MET 8 3.376 4.377 3.364 72 H TYR 9 H TYR 9 3.034 -0.733 2.376 73 HA TYR 9 HA TYR 9 5.720 -1.619 2.574 74 1HB TYR 9 2HB TYR 9 3.861 -3.177 2.836 75 2HB TYR 9 1HB TYR 9 3.360 -2.889 1.172 76 HD1 TYR 9 HD1 TYR 9 6.037 -4.330 3.275 77 HD2 TYR 9 HD2 TYR 9 4.371 -4.058 -0.635 78 HE1 TYR 9 HE1 TYR 9 7.513 -6.142 2.524 79 HE2 TYR 9 HE2 TYR 9 5.844 -5.876 -1.392 80 HH TYR 9 HH TYR 9 7.523 -7.873 0.695 81 H LYS 10 H LYS 10 3.660 -0.880 -0.258 82 HA LYS 10 HA LYS 10 5.838 -1.366 -2.078 83 1HB LYS 10 2HB LYS 10 3.498 -1.757 -2.764 84 2HB LYS 10 1HB LYS 10 3.182 -0.033 -2.630 85 1HG LYS 10 2HG LYS 10 4.925 0.363 -4.363 86 2HG LYS 10 1HG LYS 10 5.055 -1.385 -4.562 87 1HD LYS 10 2HD LYS 10 2.694 -1.487 -5.189 88 2HD LYS 10 1HD LYS 10 2.562 0.259 -4.984 89 1HE LYS 10 2HE LYS 10 4.243 0.566 -6.760 90 2HE LYS 10 1HE LYS 10 4.301 -1.184 -6.979 91 1HZ LYS 10 1HZ LYS 10 2.864 -0.091 -8.605 92 2HZ LYS 10 2HZ LYS 10 1.884 0.508 -7.364 93 3HZ LYS 10 3HZ LYS 10 1.980 -1.163 -7.634 94 H TYR 11 H TYR 11 4.372 1.458 -0.584 95 HA TYR 11 HA TYR 11 6.402 3.125 -1.926 96 1HB TYR 11 2HB TYR 11 3.706 4.031 -0.892 97 2HB TYR 11 1HB TYR 11 4.877 5.011 -1.764 98 HD1 TYR 11 HD1 TYR 11 2.044 2.865 -2.049 99 HD2 TYR 11 HD2 TYR 11 5.440 4.311 -4.170 100 HE1 TYR 11 HE1 TYR 11 0.976 2.239 -4.173 101 HE2 TYR 11 HE2 TYR 11 4.382 3.688 -6.301 102 HH TYR 11 HH TYR 11 1.092 2.835 -6.545 103 HA PRO 12 HA PRO 12 7.294 3.323 2.610 104 1HB PRO 12 2HB PRO 12 10.080 3.014 1.890 105 2HB PRO 12 1HB PRO 12 9.063 1.940 2.848 106 1HG PRO 12 2HG PRO 12 10.019 1.293 0.381 107 2HG PRO 12 1HG PRO 12 8.509 0.644 1.046 108 1HD PRO 12 2HD PRO 12 8.917 2.884 -0.907 109 2HD PRO 12 1HD PRO 12 7.701 1.585 -0.918 110 H ASN 13 H ASN 13 8.629 4.849 -0.191 111 HA ASN 13 HA ASN 13 9.920 6.978 1.273 112 1HB ASN 13 2HB ASN 13 9.540 6.433 -1.670 113 2HB ASN 13 1HB ASN 13 10.303 7.892 -1.065 114 1HD2 ASN 13 1HD2 ASN 13 11.354 5.724 -2.717 115 2HD2 ASN 13 2HD2 ASN 13 12.754 5.137 -1.876 116 H ALA 14 H ALA 14 6.796 6.285 0.421 117 HA ALA 14 HA ALA 14 5.993 8.994 -0.220 118 1HB ALA 14 1HB ALA 14 3.736 8.070 -0.370 119 2HB ALA 14 2HB ALA 14 4.324 6.521 0.233 120 3HB ALA 14 3HB ALA 14 4.879 7.128 -1.327 121 H VAL 15 H VAL 15 5.322 10.462 1.205 122 HA VAL 15 HA VAL 15 5.375 9.773 4.010 123 HB VAL 15 HB VAL 15 4.759 12.459 2.761 124 1HG1 VAL 15 1HG1 VAL 15 4.028 12.293 5.058 125 2HG1 VAL 15 2HG1 VAL 15 5.445 13.340 4.955 126 3HG1 VAL 15 3HG1 VAL 15 5.610 11.686 5.547 127 1HG2 VAL 15 1HG2 VAL 15 7.411 11.378 3.720 128 2HG2 VAL 15 2HG2 VAL 15 7.107 13.014 3.140 129 3HG2 VAL 15 3HG2 VAL 15 6.953 11.646 2.038 130 H SER 16 H SER 16 3.673 9.150 5.114 131 HA SER 16 HA SER 16 1.059 9.084 4.010 132 1HB SER 16 2HB SER 16 1.931 7.424 5.653 133 2HB SER 16 1HB SER 16 1.906 8.679 6.893 134 HG SER 16 HG SER 16 0.028 7.287 6.830 135 H ARG 17 H ARG 17 -0.743 10.290 4.490 136 HA ARG 17 HA ARG 17 -1.978 12.114 5.003 137 1HB ARG 17 2HB ARG 17 -0.058 12.265 7.334 138 2HB ARG 17 1HB ARG 17 -1.488 13.277 7.169 139 1HG ARG 17 2HG ARG 17 -2.919 11.344 7.229 140 2HG ARG 17 1HG ARG 17 -1.520 10.270 7.252 141 1HD ARG 17 2HD ARG 17 -0.858 11.139 9.416 142 2HD ARG 17 1HD ARG 17 -2.186 12.299 9.381 143 HE ARG 17 HE ARG 17 -3.618 10.146 9.233 144 1HH1 ARG 17 1HH1 ARG 17 -0.663 10.519 11.102 145 2HH1 ARG 17 2HH1 ARG 17 -1.134 9.336 12.295 146 1HH2 ARG 17 1HH2 ARG 17 -4.225 8.620 10.802 147 2HH2 ARG 17 2HH2 ARG 17 -3.152 8.251 12.115 148 H LYS 18 H LYS 18 0.597 12.261 3.424 149 HA LYS 18 HA LYS 18 0.956 15.177 3.535 150 1HB LYS 18 2HB LYS 18 3.014 13.747 3.754 151 2HB LYS 18 1HB LYS 18 2.704 13.141 2.132 152 1HG LYS 18 2HG LYS 18 4.392 14.883 2.112 153 2HG LYS 18 1HG LYS 18 2.945 15.396 1.239 154 1HD LYS 18 2HD LYS 18 2.225 16.726 3.101 155 2HD LYS 18 1HD LYS 18 3.535 16.107 4.108 156 1HE LYS 18 2HE LYS 18 5.167 17.161 2.607 157 2HE LYS 18 1HE LYS 18 3.847 17.786 1.619 158 1HZ LYS 18 1HZ LYS 18 3.140 19.185 3.341 159 2HZ LYS 18 2HZ LYS 18 4.830 19.357 3.311 160 3HZ LYS 18 3HZ LYS 18 4.096 18.401 4.504 161 H ASP 19 H ASP 19 1.216 12.700 0.997 162 HA ASP 19 HA ASP 19 -0.367 14.431 -0.755 163 1HB ASP 19 2HB ASP 19 1.382 12.049 -1.375 164 2HB ASP 19 1HB ASP 19 0.375 12.858 -2.571 165 H PHE 20 H PHE 20 -0.181 11.063 0.353 166 HA PHE 20 HA PHE 20 -2.979 10.745 -0.442 167 1HB PHE 20 2HB PHE 20 -2.685 8.361 -0.197 168 2HB PHE 20 1HB PHE 20 -1.383 8.993 -1.196 169 HD1 PHE 20 HD1 PHE 20 -2.244 7.147 1.745 170 HD2 PHE 20 HD2 PHE 20 0.894 9.322 -0.137 171 HE1 PHE 20 HE1 PHE 20 -0.609 6.037 3.206 172 HE2 PHE 20 HE2 PHE 20 2.536 8.213 1.325 173 HZ PHE 20 HZ PHE 20 1.783 6.567 2.995 174 H GLU 21 H GLU 21 -4.565 10.376 1.009 175 HA GLU 21 HA GLU 21 -3.823 10.389 3.856 176 1HB GLU 21 2HB GLU 21 -4.840 12.589 2.550 177 2HB GLU 21 1HB GLU 21 -6.285 11.848 3.214 178 1HG GLU 21 2HG GLU 21 -3.845 12.541 4.825 179 2HG GLU 21 1HG GLU 21 -5.260 13.578 4.661 180 H LEU 22 H LEU 22 -5.229 9.297 5.203 181 HA LEU 22 HA LEU 22 -6.807 7.275 3.754 182 1HB LEU 22 2HB LEU 22 -5.887 7.091 6.603 183 2HB LEU 22 1HB LEU 22 -6.394 5.795 5.545 184 HG LEU 22 HG LEU 22 -3.883 7.389 5.088 185 1HD1 LEU 22 1HD1 LEU 22 -3.766 6.273 7.249 186 2HD1 LEU 22 2HD1 LEU 22 -2.688 5.510 6.079 187 3HD1 LEU 22 3HD1 LEU 22 -4.224 4.747 6.491 188 1HD2 LEU 22 1HD2 LEU 22 -4.828 4.729 4.025 189 2HD2 LEU 22 2HD2 LEU 22 -3.278 5.494 3.670 190 3HD2 LEU 22 3HD2 LEU 22 -4.778 6.245 3.124 191 H ARG 23 H ARG 23 -8.850 6.754 4.367 192 HA ARG 23 HA ARG 23 -10.049 8.097 6.652 193 1HB ARG 23 2HB ARG 23 -10.936 8.499 3.822 194 2HB ARG 23 1HB ARG 23 -12.124 8.512 5.119 195 1HG ARG 23 2HG ARG 23 -11.649 10.707 5.078 196 2HG ARG 23 1HG ARG 23 -10.378 10.195 6.183 197 1HD ARG 23 2HD ARG 23 -8.986 9.882 3.999 198 2HD ARG 23 1HD ARG 23 -10.181 10.976 3.306 199 HE ARG 23 HE ARG 23 -8.198 11.610 5.361 200 1HH1 ARG 23 1HH1 ARG 23 -10.889 12.667 3.361 201 2HH1 ARG 23 2HH1 ARG 23 -10.592 14.360 3.663 202 1HH2 ARG 23 1HH2 ARG 23 -7.799 13.784 5.730 203 2HH2 ARG 23 2HH2 ARG 23 -8.817 15.002 5.007 204 H ASN 24 H ASN 24 -12.355 7.317 6.929 205 HA ASN 24 HA ASN 24 -12.233 4.393 6.589 206 1HB ASN 24 2HB ASN 24 -12.172 5.292 8.919 207 2HB ASN 24 1HB ASN 24 -13.789 5.944 8.663 208 1HD2 ASN 24 1HD2 ASN 24 -15.527 4.594 8.728 209 2HD2 ASN 24 2HD2 ASN 24 -15.421 2.919 9.158 210 H ASP 25 H ASP 25 -13.483 3.644 5.053 211 HA ASP 25 HA ASP 25 -15.676 5.187 3.992 212 1HB ASP 25 2HB ASP 25 -14.119 3.847 2.566 213 2HB ASP 25 1HB ASP 25 -14.805 2.383 3.260 214 H GLY 26 H GLY 26 -15.251 2.501 6.116 215 1HA GLY 26 2HA GLY 26 -17.798 2.622 7.225 216 2HA GLY 26 1HA GLY 26 -17.844 1.392 5.966 217 H ASN 27 H ASN 27 -16.797 -0.545 6.274 218 HA ASN 27 HA ASN 27 -15.962 -1.065 9.029 219 1HB ASN 27 2HB ASN 27 -17.696 -2.488 7.810 220 2HB ASN 27 1HB ASN 27 -16.368 -3.087 6.822 221 1HD2 ASN 27 1HD2 ASN 27 -16.633 -5.177 7.534 222 2HD2 ASN 27 2HD2 ASN 27 -16.178 -5.679 9.131 223 H GLY 28 H GLY 28 -14.240 0.434 7.334 224 1HA GLY 28 2HA GLY 28 -11.775 -0.769 7.794 225 2HA GLY 28 1HA GLY 28 -12.213 -1.124 6.129 226 H SER 29 H SER 29 -10.044 0.519 7.224 227 HA SER 29 HA SER 29 -10.772 3.177 6.239 228 1HB SER 29 2HB SER 29 -8.227 2.282 7.615 229 2HB SER 29 1HB SER 29 -8.724 3.944 7.290 230 HG SER 29 HG SER 29 -10.704 2.800 8.603 231 H TYR 30 H TYR 30 -10.032 3.931 4.334 232 HA TYR 30 HA TYR 30 -8.069 2.309 2.860 233 1HB TYR 30 2HB TYR 30 -9.469 2.176 0.916 234 2HB TYR 30 1HB TYR 30 -10.419 1.614 2.281 235 HD1 TYR 30 HD1 TYR 30 -10.968 4.565 3.293 236 HD2 TYR 30 HD2 TYR 30 -11.400 2.599 -0.454 237 HE1 TYR 30 HE1 TYR 30 -12.745 6.146 2.674 238 HE2 TYR 30 HE2 TYR 30 -13.178 4.173 -1.081 239 HH TYR 30 HH TYR 30 -14.896 5.628 0.276 240 H ILE 31 H ILE 31 -8.113 3.599 0.464 241 HA ILE 31 HA ILE 31 -6.877 6.140 1.068 242 HB ILE 31 HB ILE 31 -7.416 4.956 -1.659 243 1HG1 ILE 31 2HG1 ILE 31 -4.940 4.591 0.043 244 2HG1 ILE 31 1HG1 ILE 31 -6.170 3.356 -0.207 245 1HG2 ILE 31 1HG2 ILE 31 -6.799 7.309 -1.646 246 2HG2 ILE 31 2HG2 ILE 31 -5.513 6.328 -2.349 247 3HG2 ILE 31 3HG2 ILE 31 -5.358 6.937 -0.701 248 1HD1 ILE 31 1HD1 ILE 31 -4.246 2.979 -1.636 249 2HD1 ILE 31 2HD1 ILE 31 -4.437 4.584 -2.342 250 3HD1 ILE 31 3HD1 ILE 31 -5.674 3.354 -2.602 251 H GLU 32 H GLU 32 -7.829 8.090 0.880 252 HA GLU 32 HA GLU 32 -10.230 8.282 -0.812 253 1HB GLU 32 2HB GLU 32 -10.834 8.487 1.577 254 2HB GLU 32 1HB GLU 32 -9.701 9.823 1.738 255 1HG GLU 32 2HG GLU 32 -10.998 11.138 0.161 256 2HG GLU 32 1HG GLU 32 -12.118 9.796 -0.058 257 H LYS 33 H LYS 33 -7.651 10.178 0.727 258 HA LYS 33 HA LYS 33 -7.698 12.049 -1.515 259 1HB LYS 33 2HB LYS 33 -7.669 13.049 0.691 260 2HB LYS 33 1HB LYS 33 -6.264 12.100 1.148 261 1HG LYS 33 2HG LYS 33 -4.867 13.339 -0.353 262 2HG LYS 33 1HG LYS 33 -6.255 14.180 -1.028 263 1HD LYS 33 2HD LYS 33 -6.678 15.244 1.092 264 2HD LYS 33 1HD LYS 33 -5.363 14.347 1.831 265 1HE LYS 33 2HE LYS 33 -4.974 16.231 -0.479 266 2HE LYS 33 1HE LYS 33 -4.860 16.741 1.204 267 1HZ LYS 33 1HZ LYS 33 -3.169 14.684 -0.113 268 2HZ LYS 33 2HZ LYS 33 -3.088 15.110 1.527 269 3HZ LYS 33 3HZ LYS 33 -2.687 16.248 0.336 270 H TRP 34 H TRP 34 -6.321 11.860 -3.144 271 HA TRP 34 HA TRP 34 -3.770 10.467 -2.717 272 1HB TRP 34 2HB TRP 34 -5.441 8.860 -3.635 273 2HB TRP 34 1HB TRP 34 -5.667 9.922 -5.017 274 HD1 TRP 34 HD1 TRP 34 -3.910 9.777 -6.961 275 HE1 TRP 34 HE1 TRP 34 -1.962 8.171 -7.464 276 HE3 TRP 34 HE3 TRP 34 -3.544 7.482 -2.405 277 HZ2 TRP 34 HZ2 TRP 34 -0.468 6.207 -6.115 278 HZ3 TRP 34 HZ3 TRP 34 -1.824 5.747 -2.098 279 HH2 TRP 34 HH2 TRP 34 -0.319 5.123 -3.917 280 H ASN 35 H ASN 35 -2.321 12.019 -3.146 281 HA ASN 35 HA ASN 35 -2.725 13.619 -5.585 282 1HB ASN 35 2HB ASN 35 -1.365 14.355 -2.999 283 2HB ASN 35 1HB ASN 35 -1.126 15.267 -4.481 284 1HD2 ASN 35 1HD2 ASN 35 -2.201 16.239 -2.045 285 2HD2 ASN 35 2HD2 ASN 35 -3.835 16.754 -2.366 286 H LEU 36 H LEU 36 -1.108 11.041 -4.571 287 HA LEU 36 HA LEU 36 1.564 11.636 -5.394 288 1HB LEU 36 2HB LEU 36 0.099 9.031 -4.998 289 2HB LEU 36 1HB LEU 36 1.781 9.118 -5.471 290 HG LEU 36 HG LEU 36 0.664 10.236 -2.910 291 1HD1 LEU 36 1HD1 LEU 36 0.553 7.789 -3.005 292 2HD1 LEU 36 2HD1 LEU 36 1.723 8.358 -1.818 293 3HD1 LEU 36 3HD1 LEU 36 2.276 7.737 -3.373 294 1HD2 LEU 36 1HD2 LEU 36 3.508 9.885 -3.850 295 2HD2 LEU 36 2HD2 LEU 36 3.010 10.448 -2.255 296 3HD2 LEU 36 3HD2 LEU 36 2.654 11.419 -3.685 297 H ARG 37 H ARG 37 2.482 11.441 -7.376 298 HA ARG 37 HA ARG 37 0.726 11.123 -9.640 299 1HB ARG 37 2HB ARG 37 3.700 11.606 -9.464 300 2HB ARG 37 1HB ARG 37 2.811 11.501 -10.979 301 1HG ARG 37 2HG ARG 37 1.394 13.390 -10.209 302 2HG ARG 37 1HG ARG 37 2.441 13.537 -8.797 303 1HD ARG 37 2HD ARG 37 4.355 13.966 -10.267 304 2HD ARG 37 1HD ARG 37 3.303 13.820 -11.678 305 HE ARG 37 HE ARG 37 2.376 15.774 -9.795 306 1HH1 ARG 37 1HH1 ARG 37 4.578 15.256 -12.476 307 2HH1 ARG 37 2HH1 ARG 37 4.621 16.935 -12.922 308 1HH2 ARG 37 1HH2 ARG 37 2.444 17.957 -10.366 309 2HH2 ARG 37 2HH2 ARG 37 3.426 18.481 -11.700 310 H ALA 38 H ALA 38 0.341 8.926 -8.543 311 HA ALA 38 HA ALA 38 1.714 6.951 -10.203 312 1HB ALA 38 1HB ALA 38 1.780 5.361 -8.329 313 2HB ALA 38 2HB ALA 38 1.162 6.612 -7.252 314 3HB ALA 38 3HB ALA 38 2.752 6.793 -7.993 315 HA PRO 39 HA PRO 39 -2.473 5.733 -10.952 316 1HB PRO 39 2HB PRO 39 -2.148 3.148 -11.684 317 2HB PRO 39 1HB PRO 39 -1.660 4.496 -12.720 318 1HG PRO 39 2HG PRO 39 0.014 2.784 -10.921 319 2HG PRO 39 1HG PRO 39 0.360 3.357 -12.563 320 1HD PRO 39 2HD PRO 39 1.396 4.530 -10.343 321 2HD PRO 39 1HD PRO 39 1.049 5.424 -11.835 322 H LEU 40 H LEU 40 -4.191 4.771 -9.930 323 HA LEU 40 HA LEU 40 -3.905 3.882 -7.283 324 1HB LEU 40 2HB LEU 40 -6.135 3.906 -9.272 325 2HB LEU 40 1HB LEU 40 -6.327 2.987 -7.799 326 HG LEU 40 HG LEU 40 -7.354 5.160 -7.538 327 1HD1 LEU 40 1HD1 LEU 40 -6.281 4.166 -5.580 328 2HD1 LEU 40 2HD1 LEU 40 -6.224 5.927 -5.534 329 3HD1 LEU 40 3HD1 LEU 40 -4.783 5.013 -5.972 330 1HD2 LEU 40 1HD2 LEU 40 -6.045 7.231 -7.629 331 2HD2 LEU 40 2HD2 LEU 40 -6.072 6.409 -9.190 332 3HD2 LEU 40 3HD2 LEU 40 -4.638 6.314 -8.170 333 HA PRO 41 HA PRO 41 -2.571 -0.259 -7.997 334 1HB PRO 41 2HB PRO 41 -3.038 -1.233 -5.499 335 2HB PRO 41 1HB PRO 41 -1.666 -0.196 -5.901 336 1HG PRO 41 2HG PRO 41 -4.279 0.528 -4.635 337 2HG PRO 41 1HG PRO 41 -2.643 1.067 -4.210 338 1HD PRO 41 2HD PRO 41 -4.329 2.595 -5.653 339 2HD PRO 41 1HD PRO 41 -2.575 2.620 -5.910 340 H THR 42 H THR 42 -3.330 -2.493 -7.719 341 HA THR 42 HA THR 42 -6.242 -2.621 -8.128 342 HB THR 42 HB THR 42 -5.771 -4.832 -9.200 343 HG1 THR 42 HG1 THR 42 -3.059 -4.098 -9.374 344 1HG2 THR 42 1HG2 THR 42 -4.321 -2.464 -10.385 345 2HG2 THR 42 2HG2 THR 42 -6.036 -2.829 -10.569 346 3HG2 THR 42 3HG2 THR 42 -4.825 -3.904 -11.270 347 H GLN 43 H GLN 43 -7.310 -4.637 -7.363 348 HA GLN 43 HA GLN 43 -6.955 -5.132 -4.637 349 1HB GLN 43 2HB GLN 43 -8.980 -5.654 -6.067 350 2HB GLN 43 1HB GLN 43 -8.132 -7.080 -6.621 351 1HG GLN 43 2HG GLN 43 -9.692 -7.634 -4.855 352 2HG GLN 43 1HG GLN 43 -8.030 -7.931 -4.351 353 1HE2 GLN 43 1HE2 GLN 43 -8.552 -7.824 -2.182 354 2HE2 GLN 43 2HE2 GLN 43 -8.943 -6.337 -1.392 355 H ALA 44 H ALA 44 -5.886 -6.930 -7.464 356 HA ALA 44 HA ALA 44 -4.580 -9.053 -6.245 357 1HB ALA 44 1HB ALA 44 -4.923 -8.886 -8.662 358 2HB ALA 44 2HB ALA 44 -3.233 -9.214 -8.273 359 3HB ALA 44 3HB ALA 44 -3.732 -7.589 -8.741 360 H GLU 45 H GLU 45 -3.264 -5.852 -7.094 361 HA GLU 45 HA GLU 45 -0.699 -6.180 -6.042 362 1HB GLU 45 2HB GLU 45 -2.462 -3.811 -6.521 363 2HB GLU 45 1HB GLU 45 -0.951 -3.589 -5.662 364 1HG GLU 45 2HG GLU 45 0.232 -4.600 -7.584 365 2HG GLU 45 1HG GLU 45 -1.307 -4.663 -8.446 366 H LEU 46 H LEU 46 -3.589 -4.791 -4.483 367 HA LEU 46 HA LEU 46 -2.500 -4.109 -2.048 368 1HB LEU 46 2HB LEU 46 -5.260 -5.178 -2.616 369 2HB LEU 46 1HB LEU 46 -4.789 -4.323 -1.165 370 HG LEU 46 HG LEU 46 -4.746 -3.153 -3.944 371 1HD1 LEU 46 1HD1 LEU 46 -6.668 -1.843 -3.189 372 2HD1 LEU 46 2HD1 LEU 46 -6.676 -2.737 -1.670 373 3HD1 LEU 46 3HD1 LEU 46 -7.016 -3.571 -3.184 374 1HD2 LEU 46 1HD2 LEU 46 -4.322 -1.856 -1.252 375 2HD2 LEU 46 2HD2 LEU 46 -4.372 -1.029 -2.808 376 3HD2 LEU 46 3HD2 LEU 46 -3.071 -2.165 -2.455 377 H GLU 47 H GLU 47 -4.009 -7.207 -2.939 378 HA GLU 47 HA GLU 47 -3.598 -8.386 -0.402 379 1HB GLU 47 2HB GLU 47 -4.125 -9.652 -3.084 380 2HB GLU 47 1HB GLU 47 -4.131 -10.521 -1.552 381 1HG GLU 47 2HG GLU 47 -5.925 -9.061 -0.751 382 2HG GLU 47 1HG GLU 47 -5.943 -8.250 -2.315 383 H THR 48 H THR 48 -1.644 -8.267 -3.331 384 HA THR 48 HA THR 48 0.218 -10.265 -2.598 385 HB THR 48 HB THR 48 0.697 -7.812 -4.323 386 HG1 THR 48 HG1 THR 48 -0.946 -9.091 -5.202 387 1HG2 THR 48 1HG2 THR 48 2.541 -9.077 -5.286 388 2HG2 THR 48 2HG2 THR 48 2.204 -10.430 -4.210 389 3HG2 THR 48 3HG2 THR 48 2.778 -8.900 -3.546 390 H TRP 49 H TRP 49 0.187 -6.741 -2.068 391 HA TRP 49 HA TRP 49 2.685 -6.598 -0.763 392 1HB TRP 49 2HB TRP 49 0.307 -4.803 -0.244 393 2HB TRP 49 1HB TRP 49 2.005 -4.417 0.010 394 HD1 TRP 49 HD1 TRP 49 2.706 -5.731 -3.038 395 HE1 TRP 49 HE1 TRP 49 2.278 -4.176 -5.046 396 HE3 TRP 49 HE3 TRP 49 -0.421 -2.375 -0.805 397 HZ2 TRP 49 HZ2 TRP 49 0.805 -1.822 -5.591 398 HZ3 TRP 49 HZ3 TRP 49 -1.283 -0.498 -2.128 399 HH2 TRP 49 HH2 TRP 49 -0.676 -0.228 -4.468 400 H TRP 50 H TRP 50 -0.611 -7.056 0.420 401 HA TRP 50 HA TRP 50 -0.015 -7.083 3.168 402 1HB TRP 50 2HB TRP 50 -2.307 -6.902 2.129 403 2HB TRP 50 1HB TRP 50 -2.220 -8.625 1.786 404 HD1 TRP 50 HD1 TRP 50 -2.921 -10.247 3.690 405 HE1 TRP 50 HE1 TRP 50 -3.699 -9.938 6.132 406 HE3 TRP 50 HE3 TRP 50 -1.862 -5.279 4.252 407 HZ2 TRP 50 HZ2 TRP 50 -3.832 -7.854 8.039 408 HZ3 TRP 50 HZ3 TRP 50 -2.344 -4.206 6.413 409 HH2 TRP 50 HH2 TRP 50 -3.307 -5.466 8.264 410 H GLU 51 H GLU 51 -0.208 -9.684 0.761 411 HA GLU 51 HA GLU 51 0.374 -11.807 2.480 412 1HB GLU 51 2HB GLU 51 0.370 -11.336 -0.435 413 2HB GLU 51 1HB GLU 51 1.349 -12.678 0.121 414 1HG GLU 51 2HG GLU 51 -0.620 -13.574 1.310 415 2HG GLU 51 1HG GLU 51 -1.581 -12.263 0.638 416 H GLU 52 H GLU 52 2.550 -9.827 0.453 417 HA GLU 52 HA GLU 52 4.902 -11.157 1.241 418 1HB GLU 52 2HB GLU 52 4.436 -8.384 0.170 419 2HB GLU 52 1HB GLU 52 6.042 -8.992 0.542 420 1HG GLU 52 2HG GLU 52 5.657 -10.855 -1.033 421 2HG GLU 52 1HG GLU 52 4.111 -10.128 -1.460 422 H LEU 53 H LEU 53 3.145 -8.449 2.659 423 HA LEU 53 HA LEU 53 5.100 -7.711 4.552 424 1HB LEU 53 2HB LEU 53 3.195 -6.293 3.931 425 2HB LEU 53 1HB LEU 53 2.095 -7.437 4.672 426 HG LEU 53 HG LEU 53 3.183 -6.981 6.868 427 1HD1 LEU 53 1HD1 LEU 53 4.554 -4.775 5.337 428 2HD1 LEU 53 2HD1 LEU 53 5.335 -6.188 6.045 429 3HD1 LEU 53 3HD1 LEU 53 4.575 -4.987 7.090 430 1HD2 LEU 53 1HD2 LEU 53 2.013 -4.589 5.454 431 2HD2 LEU 53 2HD2 LEU 53 2.099 -4.825 7.200 432 3HD2 LEU 53 3HD2 LEU 53 1.098 -5.890 6.214 433 H GLN 54 H GLN 54 2.696 -10.240 4.503 434 HA GLN 54 HA GLN 54 3.023 -10.832 7.320 435 1HB GLN 54 2HB GLN 54 1.297 -11.982 5.142 436 2HB GLN 54 1HB GLN 54 1.347 -12.626 6.771 437 1HG GLN 54 2HG GLN 54 0.598 -9.800 6.081 438 2HG GLN 54 1HG GLN 54 -0.553 -11.106 6.366 439 1HE2 GLN 54 1HE2 GLN 54 1.787 -8.970 7.824 440 2HE2 GLN 54 2HE2 GLN 54 1.317 -9.264 9.460 441 H LYS 55 H LYS 55 3.841 -12.242 4.184 442 HA LYS 55 HA LYS 55 4.791 -14.679 5.436 443 1HB LYS 55 2HB LYS 55 3.479 -14.469 3.221 444 2HB LYS 55 1HB LYS 55 5.037 -14.041 2.525 445 1HG LYS 55 2HG LYS 55 5.969 -16.153 3.225 446 2HG LYS 55 1HG LYS 55 4.454 -16.584 4.024 447 1HD LYS 55 2HD LYS 55 3.315 -16.408 1.817 448 2HD LYS 55 1HD LYS 55 4.897 -16.158 1.076 449 1HE LYS 55 2HE LYS 55 5.633 -18.330 1.769 450 2HE LYS 55 1HE LYS 55 4.168 -18.572 2.721 451 1HZ LYS 55 1HZ LYS 55 2.890 -18.464 0.637 452 2HZ LYS 55 2HZ LYS 55 3.980 -19.761 0.666 453 3HZ LYS 55 3HZ LYS 55 4.340 -18.370 -0.238 454 H ASN 56 H ASN 56 6.048 -11.715 4.473 455 HA ASN 56 HA ASN 56 8.793 -12.772 4.596 456 1HB ASN 56 2HB ASN 56 8.434 -11.592 2.509 457 2HB ASN 56 1HB ASN 56 7.762 -10.208 3.354 458 1HD2 ASN 56 1HD2 ASN 56 9.097 -8.723 4.221 459 2HD2 ASN 56 2HD2 ASN 56 10.815 -8.756 4.014 460 HA PRO 57 HA PRO 57 8.763 -10.942 8.630 461 1HB PRO 57 2HB PRO 57 11.626 -11.518 8.687 462 2HB PRO 57 1HB PRO 57 10.330 -12.217 9.657 463 1HG PRO 57 2HG PRO 57 11.635 -13.626 7.758 464 2HG PRO 57 1HG PRO 57 9.926 -13.903 8.142 465 1HD PRO 57 2HD PRO 57 11.138 -12.369 5.868 466 2HD PRO 57 1HD PRO 57 9.755 -13.488 5.866 467 HA PRO 58 HA PRO 58 10.571 -6.945 7.512 468 1HB PRO 58 2HB PRO 58 9.020 -5.877 9.712 469 2HB PRO 58 1HB PRO 58 8.821 -5.590 7.983 470 1HG PRO 58 2HG PRO 58 7.029 -6.984 9.511 471 2HG PRO 58 1HG PRO 58 7.234 -7.219 7.769 472 1HD PRO 58 2HD PRO 58 8.284 -8.860 10.041 473 2HD PRO 58 1HD PRO 58 7.647 -9.384 8.466 474 H TYR 59 H TYR 59 12.321 -5.959 8.400 475 HA TYR 59 HA TYR 59 13.335 -7.148 10.846 476 1HB TYR 59 2HB TYR 59 14.797 -6.950 8.839 477 2HB TYR 59 1HB TYR 59 14.706 -5.196 8.982 478 HD1 TYR 59 HD1 TYR 59 15.765 -8.251 10.808 479 HD2 TYR 59 HD2 TYR 59 16.208 -4.042 10.379 480 HE1 TYR 59 HE1 TYR 59 17.657 -8.294 12.377 481 HE2 TYR 59 HE2 TYR 59 18.103 -4.075 11.944 482 HH TYR 59 HH TYR 59 19.002 -5.447 13.715 483 H GLU 60 H GLU 60 13.111 -6.247 12.739 484 HA GLU 60 HA GLU 60 12.485 -3.385 12.905 485 1HB GLU 60 2HB GLU 60 10.934 -5.027 13.966 486 2HB GLU 60 1HB GLU 60 12.243 -5.536 15.024 487 1HG GLU 60 2HG GLU 60 12.336 -3.320 16.007 488 2HG GLU 60 1HG GLU 60 11.074 -2.763 14.909 Start of MODEL 7 1 1H MET 1 1H MET 1 -9.948 -4.003 5.254 2 2H MET 1 2H MET 1 -9.558 -4.428 6.848 3 3H MET 1 3H MET 1 -9.813 -5.640 5.684 4 HA MET 1 HA MET 1 -7.469 -5.376 6.119 5 1HB MET 1 2HB MET 1 -8.151 -6.052 3.875 6 2HB MET 1 1HB MET 1 -8.361 -4.371 3.408 7 1HG MET 1 2HG MET 1 -5.940 -4.015 3.772 8 2HG MET 1 1HG MET 1 -5.772 -5.737 4.106 9 1HE MET 1 1HE MET 1 -4.124 -5.298 0.556 10 2HE MET 1 2HE MET 1 -3.877 -5.854 2.212 11 3HE MET 1 3HE MET 1 -4.098 -4.135 1.883 12 H ILE 2 H ILE 2 -5.775 -4.085 6.620 13 HA ILE 2 HA ILE 2 -6.279 -1.226 6.767 14 HB ILE 2 HB ILE 2 -3.817 -2.740 7.655 15 1HG1 ILE 2 2HG1 ILE 2 -4.843 -2.191 9.988 16 2HG1 ILE 2 1HG1 ILE 2 -6.353 -2.011 9.107 17 1HG2 ILE 2 1HG2 ILE 2 -3.350 -0.417 7.246 18 2HG2 ILE 2 2HG2 ILE 2 -3.366 -0.706 8.987 19 3HG2 ILE 2 3HG2 ILE 2 -4.745 0.071 8.207 20 1HD1 ILE 2 1HD1 ILE 2 -6.171 -4.223 10.089 21 2HD1 ILE 2 2HD1 ILE 2 -4.664 -4.501 9.217 22 3HD1 ILE 2 3HD1 ILE 2 -6.177 -4.322 8.327 23 H LEU 3 H LEU 3 -5.861 -0.025 5.067 24 HA LEU 3 HA LEU 3 -4.339 -0.902 2.854 25 1HB LEU 3 2HB LEU 3 -5.972 1.409 3.632 26 2HB LEU 3 1HB LEU 3 -4.687 1.776 2.513 27 HG LEU 3 HG LEU 3 -6.748 1.344 1.319 28 1HD1 LEU 3 1HD1 LEU 3 -4.774 -0.904 0.974 29 2HD1 LEU 3 2HD1 LEU 3 -4.664 0.698 0.245 30 3HD1 LEU 3 3HD1 LEU 3 -5.974 -0.390 -0.211 31 1HD2 LEU 3 1HD2 LEU 3 -6.685 -1.375 2.626 32 2HD2 LEU 3 2HD2 LEU 3 -7.812 -0.864 1.369 33 3HD2 LEU 3 3HD2 LEU 3 -7.846 -0.088 2.953 34 H TYR 4 H TYR 4 -3.681 1.159 5.576 35 HA TYR 4 HA TYR 4 -1.592 2.711 4.702 36 1HB TYR 4 2HB TYR 4 -2.598 3.066 6.860 37 2HB TYR 4 1HB TYR 4 -2.084 1.478 7.415 38 HD1 TYR 4 HD1 TYR 4 0.155 1.098 8.208 39 HD2 TYR 4 HD2 TYR 4 -0.976 4.896 6.659 40 HE1 TYR 4 HE1 TYR 4 2.202 2.082 9.147 41 HE2 TYR 4 HE2 TYR 4 1.070 5.889 7.589 42 HH TYR 4 HH TYR 4 3.665 4.038 8.690 43 H ASP 5 H ASP 5 -1.378 -0.523 6.147 44 HA ASP 5 HA ASP 5 1.413 -0.709 6.190 45 1HB ASP 5 2HB ASP 5 -0.745 -2.809 6.105 46 2HB ASP 5 1HB ASP 5 0.960 -3.205 6.260 47 H ALA 6 H ALA 6 -0.918 -1.951 3.821 48 HA ALA 6 HA ALA 6 0.921 -3.188 2.113 49 1HB ALA 6 1HB ALA 6 -1.491 -3.593 2.012 50 2HB ALA 6 2HB ALA 6 -0.844 -3.138 0.435 51 3HB ALA 6 3HB ALA 6 -1.736 -1.958 1.394 52 H ILE 7 H ILE 7 -0.371 0.107 2.072 53 HA ILE 7 HA ILE 7 0.815 0.924 -0.351 54 HB ILE 7 HB ILE 7 0.077 2.620 2.038 55 1HG1 ILE 7 2HG1 ILE 7 -1.523 2.045 -0.462 56 2HG1 ILE 7 1HG1 ILE 7 -1.773 1.226 1.076 57 1HG2 ILE 7 1HG2 ILE 7 0.532 3.394 -0.844 58 2HG2 ILE 7 2HG2 ILE 7 1.575 3.789 0.523 59 3HG2 ILE 7 3HG2 ILE 7 -0.051 4.465 0.434 60 1HD1 ILE 7 1HD1 ILE 7 -3.396 2.995 0.758 61 2HD1 ILE 7 2HD1 ILE 7 -2.099 4.176 0.573 62 3HD1 ILE 7 3HD1 ILE 7 -2.334 3.361 2.118 63 H MET 8 H MET 8 1.921 1.230 3.028 64 HA MET 8 HA MET 8 4.243 2.728 2.247 65 1HB MET 8 2HB MET 8 3.129 3.089 4.411 66 2HB MET 8 1HB MET 8 3.564 1.462 4.906 67 1HG MET 8 2HG MET 8 5.837 1.983 5.043 68 2HG MET 8 1HG MET 8 5.637 3.470 4.119 69 1HE MET 8 1HE MET 8 3.848 5.826 6.620 70 2HE MET 8 2HE MET 8 3.140 4.828 5.352 71 3HE MET 8 3HE MET 8 4.649 5.690 5.056 72 H TYR 9 H TYR 9 3.473 -0.591 2.493 73 HA TYR 9 HA TYR 9 6.103 -1.612 2.815 74 1HB TYR 9 2HB TYR 9 4.150 -3.025 3.198 75 2HB TYR 9 1HB TYR 9 3.654 -2.840 1.522 76 HD1 TYR 9 HD1 TYR 9 4.406 -4.340 -0.110 77 HD2 TYR 9 HD2 TYR 9 6.375 -4.205 3.660 78 HE1 TYR 9 HE1 TYR 9 5.692 -6.341 -0.721 79 HE2 TYR 9 HE2 TYR 9 7.677 -6.204 3.055 80 HH TYR 9 HH TYR 9 7.613 -7.535 -0.173 81 H LYS 10 H LYS 10 4.094 -0.855 -0.006 82 HA LYS 10 HA LYS 10 6.200 -1.571 -1.850 83 1HB LYS 10 2HB LYS 10 3.828 -1.923 -2.428 84 2HB LYS 10 1HB LYS 10 3.562 -0.189 -2.363 85 1HG LYS 10 2HG LYS 10 3.780 -0.998 -4.657 86 2HG LYS 10 1HG LYS 10 5.054 0.147 -4.241 87 1HD LYS 10 2HD LYS 10 6.608 -1.693 -3.870 88 2HD LYS 10 1HD LYS 10 5.333 -2.858 -4.228 89 1HE LYS 10 2HE LYS 10 6.284 -0.765 -6.180 90 2HE LYS 10 1HE LYS 10 6.936 -2.402 -6.112 91 1HZ LYS 10 1HZ LYS 10 4.802 -3.295 -6.654 92 2HZ LYS 10 2HZ LYS 10 5.172 -2.101 -7.798 93 3HZ LYS 10 3HZ LYS 10 4.066 -1.773 -6.563 94 H TYR 11 H TYR 11 4.826 1.405 -0.534 95 HA TYR 11 HA TYR 11 7.055 2.856 -1.801 96 1HB TYR 11 2HB TYR 11 4.224 3.823 -1.362 97 2HB TYR 11 1HB TYR 11 5.554 4.868 -1.846 98 HD1 TYR 11 HD1 TYR 11 6.795 4.236 -4.021 99 HD2 TYR 11 HD2 TYR 11 2.953 2.719 -2.987 100 HE1 TYR 11 HE1 TYR 11 6.387 3.672 -6.378 101 HE2 TYR 11 HE2 TYR 11 2.539 2.151 -5.344 102 HH TYR 11 HH TYR 11 3.344 2.901 -7.591 103 HA PRO 12 HA PRO 12 7.795 3.397 2.653 104 1HB PRO 12 2HB PRO 12 10.431 4.223 1.628 105 2HB PRO 12 1HB PRO 12 10.029 2.982 2.816 106 1HG PRO 12 2HG PRO 12 10.887 2.337 0.366 107 2HG PRO 12 1HG PRO 12 9.656 1.368 1.202 108 1HD PRO 12 2HD PRO 12 9.312 3.416 -0.960 109 2HD PRO 12 1HD PRO 12 8.515 1.838 -0.767 110 H ASN 13 H ASN 13 8.407 5.557 -0.048 111 HA ASN 13 HA ASN 13 8.747 7.856 1.683 112 1HB ASN 13 2HB ASN 13 8.898 7.433 -1.284 113 2HB ASN 13 1HB ASN 13 8.764 9.059 -0.624 114 1HD2 ASN 13 1HD2 ASN 13 10.789 6.319 -1.086 115 2HD2 ASN 13 2HD2 ASN 13 12.242 7.022 -0.459 116 H ALA 14 H ALA 14 6.124 6.199 1.034 117 HA ALA 14 HA ALA 14 4.360 8.271 0.095 118 1HB ALA 14 1HB ALA 14 3.882 5.932 -0.417 119 2HB ALA 14 2HB ALA 14 2.570 6.649 0.515 120 3HB ALA 14 3HB ALA 14 3.726 5.575 1.303 121 H VAL 15 H VAL 15 3.995 9.965 1.368 122 HA VAL 15 HA VAL 15 4.045 9.677 4.260 123 HB VAL 15 HB VAL 15 3.496 12.189 2.681 124 1HG1 VAL 15 1HG1 VAL 15 4.485 11.753 5.502 125 2HG1 VAL 15 2HG1 VAL 15 2.866 12.276 5.041 126 3HG1 VAL 15 3HG1 VAL 15 4.252 13.319 4.723 127 1HG2 VAL 15 1HG2 VAL 15 6.151 11.143 3.670 128 2HG2 VAL 15 2HG2 VAL 15 5.871 12.720 2.933 129 3HG2 VAL 15 3HG2 VAL 15 5.644 11.252 1.984 130 H SER 16 H SER 16 2.275 8.862 5.127 131 HA SER 16 HA SER 16 -0.304 9.056 3.973 132 1HB SER 16 2HB SER 16 0.443 8.235 6.788 133 2HB SER 16 1HB SER 16 -1.052 7.845 5.935 134 HG SER 16 HG SER 16 0.974 7.081 4.405 135 H ARG 17 H ARG 17 -2.017 10.310 4.450 136 HA ARG 17 HA ARG 17 -3.327 11.935 5.321 137 1HB ARG 17 2HB ARG 17 -1.360 11.868 7.608 138 2HB ARG 17 1HB ARG 17 -2.797 12.879 7.587 139 1HG ARG 17 2HG ARG 17 -4.171 10.826 7.333 140 2HG ARG 17 1HG ARG 17 -2.700 9.874 7.529 141 1HD ARG 17 2HD ARG 17 -3.883 10.028 9.639 142 2HD ARG 17 1HD ARG 17 -2.350 10.895 9.736 143 HE ARG 17 HE ARG 17 -4.139 12.824 9.045 144 1HH1 ARG 17 1HH1 ARG 17 -3.986 10.454 11.616 145 2HH1 ARG 17 2HH1 ARG 17 -4.881 11.428 12.747 146 1HH2 ARG 17 1HH2 ARG 17 -5.316 14.116 10.522 147 2HH2 ARG 17 2HH2 ARG 17 -5.626 13.524 12.128 148 H LYS 18 H LYS 18 -0.562 12.367 3.892 149 HA LYS 18 HA LYS 18 -0.698 15.298 4.144 150 1HB LYS 18 2HB LYS 18 1.506 14.455 4.785 151 2HB LYS 18 1HB LYS 18 1.646 13.601 3.254 152 1HG LYS 18 2HG LYS 18 1.572 15.777 2.077 153 2HG LYS 18 1HG LYS 18 1.544 16.586 3.646 154 1HD LYS 18 2HD LYS 18 3.712 15.702 4.200 155 2HD LYS 18 1HD LYS 18 3.725 14.708 2.743 156 1HE LYS 18 2HE LYS 18 5.114 16.660 2.418 157 2HE LYS 18 1HE LYS 18 3.698 16.748 1.371 158 1HZ LYS 18 1HZ LYS 18 4.002 18.167 3.967 159 2HZ LYS 18 2HZ LYS 18 2.676 18.285 2.916 160 3HZ LYS 18 3HZ LYS 18 4.188 18.874 2.436 161 H ASP 19 H ASP 19 0.632 13.139 1.668 162 HA ASP 19 HA ASP 19 -0.745 14.721 -0.353 163 1HB ASP 19 2HB ASP 19 1.416 12.626 -0.522 164 2HB ASP 19 1HB ASP 19 0.624 13.293 -1.947 165 H PHE 20 H PHE 20 -0.707 11.477 0.968 166 HA PHE 20 HA PHE 20 -3.305 11.132 -0.347 167 1HB PHE 20 2HB PHE 20 -2.966 8.837 -0.740 168 2HB PHE 20 1HB PHE 20 -1.460 9.588 -1.247 169 HD1 PHE 20 HD1 PHE 20 0.535 9.445 0.266 170 HD2 PHE 20 HD2 PHE 20 -3.030 7.227 0.949 171 HE1 PHE 20 HE1 PHE 20 1.770 7.913 1.739 172 HE2 PHE 20 HE2 PHE 20 -1.802 5.695 2.426 173 HZ PHE 20 HZ PHE 20 0.600 6.034 2.823 174 H GLU 21 H GLU 21 -4.944 10.511 0.979 175 HA GLU 21 HA GLU 21 -4.229 9.994 3.779 176 1HB GLU 21 2HB GLU 21 -4.831 12.388 3.481 177 2HB GLU 21 1HB GLU 21 -6.413 11.888 2.898 178 1HG GLU 21 2HG GLU 21 -6.979 10.951 5.019 179 2HG GLU 21 1HG GLU 21 -5.337 11.180 5.615 180 H LEU 22 H LEU 22 -5.476 8.582 4.842 181 HA LEU 22 HA LEU 22 -7.381 7.074 3.233 182 1HB LEU 22 2HB LEU 22 -6.447 6.423 6.015 183 2HB LEU 22 1HB LEU 22 -7.177 5.343 4.850 184 HG LEU 22 HG LEU 22 -4.415 6.542 4.625 185 1HD1 LEU 22 1HD1 LEU 22 -5.324 3.745 5.281 186 2HD1 LEU 22 2HD1 LEU 22 -4.532 4.875 6.380 187 3HD1 LEU 22 3HD1 LEU 22 -3.656 4.233 4.991 188 1HD2 LEU 22 1HD2 LEU 22 -5.810 4.510 2.885 189 2HD2 LEU 22 2HD2 LEU 22 -4.141 5.053 2.716 190 3HD2 LEU 22 3HD2 LEU 22 -5.467 6.182 2.442 191 H ARG 23 H ARG 23 -9.479 6.733 3.877 192 HA ARG 23 HA ARG 23 -10.431 8.211 6.227 193 1HB ARG 23 2HB ARG 23 -11.491 8.390 3.433 194 2HB ARG 23 1HB ARG 23 -12.600 8.542 4.789 195 1HG ARG 23 2HG ARG 23 -12.097 10.717 4.583 196 2HG ARG 23 1HG ARG 23 -10.714 10.270 5.575 197 1HD ARG 23 2HD ARG 23 -9.446 9.878 3.429 198 2HD ARG 23 1HD ARG 23 -10.799 10.627 2.584 199 HE ARG 23 HE ARG 23 -9.114 12.001 4.586 200 1HH1 ARG 23 1HH1 ARG 23 -11.133 12.086 1.694 201 2HH1 ARG 23 2HH1 ARG 23 -10.796 13.767 1.395 202 1HH2 ARG 23 1HH2 ARG 23 -8.673 14.168 4.144 203 2HH2 ARG 23 2HH2 ARG 23 -9.416 14.948 2.768 204 H ASN 24 H ASN 24 -12.752 7.524 6.710 205 HA ASN 24 HA ASN 24 -12.566 4.616 6.938 206 1HB ASN 24 2HB ASN 24 -12.861 5.741 9.032 207 2HB ASN 24 1HB ASN 24 -14.232 6.658 8.414 208 1HD2 ASN 24 1HD2 ASN 24 -16.229 5.756 8.411 209 2HD2 ASN 24 2HD2 ASN 24 -16.588 4.203 9.081 210 H ASP 25 H ASP 25 -13.593 3.398 5.548 211 HA ASP 25 HA ASP 25 -15.991 4.313 4.190 212 1HB ASP 25 2HB ASP 25 -15.803 2.358 2.871 213 2HB ASP 25 1HB ASP 25 -14.137 2.849 3.156 214 H GLY 26 H GLY 26 -15.041 2.450 6.904 215 1HA GLY 26 2HA GLY 26 -16.977 2.100 8.512 216 2HA GLY 26 1HA GLY 26 -17.721 1.258 7.158 217 H ASN 27 H ASN 27 -15.384 0.010 6.148 218 HA ASN 27 HA ASN 27 -15.142 -2.130 8.084 219 1HB ASN 27 2HB ASN 27 -15.574 -2.569 5.652 220 2HB ASN 27 1HB ASN 27 -13.952 -1.978 5.314 221 1HD2 ASN 27 1HD2 ASN 27 -12.194 -3.274 5.776 222 2HD2 ASN 27 2HD2 ASN 27 -12.362 -4.929 6.255 223 H GLY 28 H GLY 28 -13.345 0.507 6.915 224 1HA GLY 28 2HA GLY 28 -11.508 0.531 8.989 225 2HA GLY 28 1HA GLY 28 -10.750 -0.360 7.678 226 H SER 29 H SER 29 -9.182 1.377 7.747 227 HA SER 29 HA SER 29 -10.076 3.872 6.498 228 1HB SER 29 2HB SER 29 -7.305 3.180 7.510 229 2HB SER 29 1HB SER 29 -7.941 4.782 7.135 230 HG SER 29 HG SER 29 -9.600 4.041 8.858 231 H TYR 30 H TYR 30 -10.096 3.876 4.337 232 HA TYR 30 HA TYR 30 -8.047 2.285 2.933 233 1HB TYR 30 2HB TYR 30 -9.588 1.773 1.211 234 2HB TYR 30 1HB TYR 30 -10.466 1.515 2.707 235 HD1 TYR 30 HD1 TYR 30 -11.652 3.890 3.518 236 HD2 TYR 30 HD2 TYR 30 -10.818 2.675 -0.466 237 HE1 TYR 30 HE1 TYR 30 -13.421 5.386 2.698 238 HE2 TYR 30 HE2 TYR 30 -12.584 4.166 -1.304 239 HH TYR 30 HH TYR 30 -14.681 5.228 -0.421 240 H ILE 31 H ILE 31 -7.863 3.117 0.573 241 HA ILE 31 HA ILE 31 -6.798 5.760 0.719 242 HB ILE 31 HB ILE 31 -7.301 4.107 -1.760 243 1HG1 ILE 31 2HG1 ILE 31 -4.817 4.232 -0.040 244 2HG1 ILE 31 1HG1 ILE 31 -5.941 2.881 -0.090 245 1HG2 ILE 31 1HG2 ILE 31 -6.853 6.444 -2.234 246 2HG2 ILE 31 2HG2 ILE 31 -5.477 5.450 -2.716 247 3HG2 ILE 31 3HG2 ILE 31 -5.404 6.392 -1.227 248 1HD1 ILE 31 1HD1 ILE 31 -3.937 2.464 -1.422 249 2HD1 ILE 31 2HD1 ILE 31 -4.310 3.873 -2.416 250 3HD1 ILE 31 3HD1 ILE 31 -5.391 2.481 -2.420 251 H GLU 32 H GLU 32 -8.003 7.545 0.668 252 HA GLU 32 HA GLU 32 -10.362 7.536 -1.099 253 1HB GLU 32 2HB GLU 32 -10.691 7.607 1.484 254 2HB GLU 32 1HB GLU 32 -10.173 9.278 1.341 255 1HG GLU 32 2HG GLU 32 -12.446 8.158 -0.264 256 2HG GLU 32 1HG GLU 32 -12.668 8.821 1.351 257 H LYS 33 H LYS 33 -8.030 9.699 0.522 258 HA LYS 33 HA LYS 33 -8.254 11.552 -1.734 259 1HB LYS 33 2HB LYS 33 -8.453 12.384 0.637 260 2HB LYS 33 1HB LYS 33 -6.775 11.924 0.878 261 1HG LYS 33 2HG LYS 33 -6.858 14.270 0.465 262 2HG LYS 33 1HG LYS 33 -6.151 13.492 -0.948 263 1HD LYS 33 2HD LYS 33 -9.083 13.951 -0.911 264 2HD LYS 33 1HD LYS 33 -8.025 15.331 -1.176 265 1HE LYS 33 2HE LYS 33 -7.060 14.307 -3.109 266 2HE LYS 33 1HE LYS 33 -7.882 12.783 -2.777 267 1HZ LYS 33 1HZ LYS 33 -8.969 14.043 -4.539 268 2HZ LYS 33 2HZ LYS 33 -9.223 15.338 -3.478 269 3HZ LYS 33 3HZ LYS 33 -9.993 13.856 -3.198 270 H TRP 34 H TRP 34 -6.834 11.310 -3.340 271 HA TRP 34 HA TRP 34 -4.086 10.475 -2.661 272 1HB TRP 34 2HB TRP 34 -5.451 8.638 -3.683 273 2HB TRP 34 1HB TRP 34 -5.652 9.639 -5.113 274 HD1 TRP 34 HD1 TRP 34 -3.582 9.833 -6.781 275 HE1 TRP 34 HE1 TRP 34 -1.448 8.414 -7.050 276 HE3 TRP 34 HE3 TRP 34 -3.676 7.361 -2.304 277 HZ2 TRP 34 HZ2 TRP 34 0.008 6.511 -5.555 278 HZ3 TRP 34 HZ3 TRP 34 -1.880 5.755 -1.802 279 HH2 TRP 34 HH2 TRP 34 -0.078 5.340 -3.396 280 H ASN 35 H ASN 35 -2.831 12.205 -3.047 281 HA ASN 35 HA ASN 35 -3.438 13.889 -5.394 282 1HB ASN 35 2HB ASN 35 -1.920 14.648 -2.885 283 2HB ASN 35 1HB ASN 35 -2.304 15.715 -4.226 284 1HD2 ASN 35 1HD2 ASN 35 -2.955 15.973 -1.433 285 2HD2 ASN 35 2HD2 ASN 35 -4.685 16.060 -1.335 286 H LEU 36 H LEU 36 -1.513 11.463 -4.572 287 HA LEU 36 HA LEU 36 1.085 12.453 -5.182 288 1HB LEU 36 2HB LEU 36 -0.058 9.666 -5.086 289 2HB LEU 36 1HB LEU 36 1.619 9.991 -5.469 290 HG LEU 36 HG LEU 36 0.267 10.745 -2.885 291 1HD1 LEU 36 1HD1 LEU 36 0.498 8.328 -3.107 292 2HD1 LEU 36 2HD1 LEU 36 1.599 8.964 -1.885 293 3HD1 LEU 36 3HD1 LEU 36 2.210 8.520 -3.480 294 1HD2 LEU 36 1HD2 LEU 36 2.074 12.259 -3.466 295 2HD2 LEU 36 2HD2 LEU 36 3.152 10.892 -3.746 296 3HD2 LEU 36 3HD2 LEU 36 2.552 11.221 -2.121 297 H ARG 37 H ARG 37 2.278 12.283 -7.062 298 HA ARG 37 HA ARG 37 0.762 12.270 -9.523 299 1HB ARG 37 2HB ARG 37 3.724 12.627 -9.001 300 2HB ARG 37 1HB ARG 37 2.957 12.814 -10.570 301 1HG ARG 37 2HG ARG 37 1.639 14.678 -9.720 302 2HG ARG 37 1HG ARG 37 2.386 14.485 -8.131 303 1HD ARG 37 2HD ARG 37 4.583 14.942 -9.115 304 2HD ARG 37 1HD ARG 37 3.832 15.143 -10.698 305 HE ARG 37 HE ARG 37 2.505 16.941 -9.196 306 1HH1 ARG 37 1HH1 ARG 37 5.938 16.311 -9.617 307 2HH1 ARG 37 2HH1 ARG 37 6.396 17.972 -9.359 308 1HH2 ARG 37 1HH2 ARG 37 3.108 19.093 -8.818 309 2HH2 ARG 37 2HH2 ARG 37 4.781 19.560 -8.909 310 H ALA 38 H ALA 38 0.446 9.844 -8.508 311 HA ALA 38 HA ALA 38 1.944 8.106 -10.300 312 1HB ALA 38 1HB ALA 38 3.250 8.045 -8.248 313 2HB ALA 38 2HB ALA 38 2.438 6.501 -8.502 314 3HB ALA 38 3HB ALA 38 1.808 7.648 -7.317 315 HA PRO 39 HA PRO 39 -2.106 6.397 -10.833 316 1HB PRO 39 2HB PRO 39 -0.667 3.898 -11.495 317 2HB PRO 39 1HB PRO 39 -1.801 4.836 -12.472 318 1HG PRO 39 2HG PRO 39 0.813 4.835 -13.010 319 2HG PRO 39 1HG PRO 39 -0.164 6.302 -13.199 320 1HD PRO 39 2HD PRO 39 1.724 5.549 -11.005 321 2HD PRO 39 1HD PRO 39 1.464 7.125 -11.781 322 H LEU 40 H LEU 40 -3.540 5.090 -9.775 323 HA LEU 40 HA LEU 40 -2.859 4.176 -7.185 324 1HB LEU 40 2HB LEU 40 -5.308 4.110 -8.894 325 2HB LEU 40 1HB LEU 40 -5.246 3.108 -7.464 326 HG LEU 40 HG LEU 40 -6.405 5.164 -6.968 327 1HD1 LEU 40 1HD1 LEU 40 -3.664 5.121 -5.715 328 2HD1 LEU 40 2HD1 LEU 40 -5.074 4.205 -5.182 329 3HD1 LEU 40 3HD1 LEU 40 -5.075 5.966 -5.078 330 1HD2 LEU 40 1HD2 LEU 40 -5.305 7.338 -7.110 331 2HD2 LEU 40 2HD2 LEU 40 -5.426 6.573 -8.694 332 3HD2 LEU 40 3HD2 LEU 40 -3.887 6.577 -7.833 333 HA PRO 41 HA PRO 41 -1.916 -0.114 -8.145 334 1HB PRO 41 2HB PRO 41 -2.237 -1.115 -5.646 335 2HB PRO 41 1HB PRO 41 -0.806 -0.191 -6.119 336 1HG PRO 41 2HG PRO 41 -3.238 0.717 -4.626 337 2HG PRO 41 1HG PRO 41 -1.531 1.075 -4.304 338 1HD PRO 41 2HD PRO 41 -3.173 2.818 -5.568 339 2HD PRO 41 1HD PRO 41 -1.438 2.706 -5.924 340 H THR 42 H THR 42 -3.044 -2.245 -7.773 341 HA THR 42 HA THR 42 -5.956 -1.826 -7.873 342 HB THR 42 HB THR 42 -5.982 -4.127 -8.929 343 HG1 THR 42 HG1 THR 42 -3.192 -3.671 -9.294 344 1HG2 THR 42 1HG2 THR 42 -4.413 -1.964 -10.342 345 2HG2 THR 42 2HG2 THR 42 -6.170 -2.105 -10.284 346 3HG2 THR 42 3HG2 THR 42 -5.213 -3.324 -11.127 347 H GLN 43 H GLN 43 -7.265 -3.707 -7.032 348 HA GLN 43 HA GLN 43 -6.828 -4.121 -4.311 349 1HB GLN 43 2HB GLN 43 -8.990 -4.413 -5.582 350 2HB GLN 43 1HB GLN 43 -8.382 -5.963 -6.132 351 1HG GLN 43 2HG GLN 43 -9.859 -6.289 -4.268 352 2HG GLN 43 1HG GLN 43 -8.212 -6.709 -3.799 353 1HE2 GLN 43 1HE2 GLN 43 -8.552 -6.414 -1.642 354 2HE2 GLN 43 2HE2 GLN 43 -8.809 -4.852 -0.929 355 H ALA 44 H ALA 44 -6.275 -6.284 -7.044 356 HA ALA 44 HA ALA 44 -5.178 -8.458 -5.719 357 1HB ALA 44 1HB ALA 44 -4.399 -7.397 -8.429 358 2HB ALA 44 2HB ALA 44 -5.762 -8.465 -8.094 359 3HB ALA 44 3HB ALA 44 -4.112 -9.031 -7.831 360 H GLU 45 H GLU 45 -3.473 -5.625 -7.051 361 HA GLU 45 HA GLU 45 -0.889 -6.317 -6.275 362 1HB GLU 45 2HB GLU 45 -2.244 -3.676 -6.730 363 2HB GLU 45 1HB GLU 45 -0.567 -3.746 -6.216 364 1HG GLU 45 2HG GLU 45 0.033 -4.992 -8.184 365 2HG GLU 45 1HG GLU 45 -1.657 -5.086 -8.676 366 H LEU 46 H LEU 46 -3.300 -4.377 -4.515 367 HA LEU 46 HA LEU 46 -1.790 -3.746 -2.275 368 1HB LEU 46 2HB LEU 46 -4.750 -4.268 -2.542 369 2HB LEU 46 1HB LEU 46 -4.004 -3.559 -1.128 370 HG LEU 46 HG LEU 46 -3.873 -2.329 -3.878 371 1HD1 LEU 46 1HD1 LEU 46 -5.693 -1.672 -1.564 372 2HD1 LEU 46 2HD1 LEU 46 -6.183 -2.411 -3.089 373 3HD1 LEU 46 3HD1 LEU 46 -5.561 -0.760 -3.068 374 1HD2 LEU 46 1HD2 LEU 46 -3.155 -0.341 -2.657 375 2HD2 LEU 46 2HD2 LEU 46 -2.058 -1.692 -2.371 376 3HD2 LEU 46 3HD2 LEU 46 -3.236 -1.237 -1.140 377 H GLU 47 H GLU 47 -3.878 -6.562 -2.840 378 HA GLU 47 HA GLU 47 -3.326 -7.649 -0.260 379 1HB GLU 47 2HB GLU 47 -4.757 -8.766 -2.661 380 2HB GLU 47 1HB GLU 47 -4.584 -9.646 -1.145 381 1HG GLU 47 2HG GLU 47 -5.692 -7.776 0.024 382 2HG GLU 47 1HG GLU 47 -5.950 -6.991 -1.530 383 H THR 48 H THR 48 -1.761 -7.819 -3.314 384 HA THR 48 HA THR 48 -0.271 -10.188 -2.916 385 HB THR 48 HB THR 48 0.551 -7.668 -4.385 386 HG1 THR 48 HG1 THR 48 -1.374 -8.758 -5.181 387 1HG2 THR 48 1HG2 THR 48 2.101 -9.172 -5.600 388 2HG2 THR 48 2HG2 THR 48 1.676 -10.469 -4.483 389 3HG2 THR 48 3HG2 THR 48 2.493 -9.025 -3.886 390 H TRP 49 H TRP 49 0.431 -6.781 -2.164 391 HA TRP 49 HA TRP 49 2.888 -7.293 -0.853 392 1HB TRP 49 2HB TRP 49 1.032 -4.935 -0.459 393 2HB TRP 49 1HB TRP 49 2.753 -4.993 -0.086 394 HD1 TRP 49 HD1 TRP 49 3.909 -6.193 -2.729 395 HE1 TRP 49 HE1 TRP 49 3.828 -4.859 -4.929 396 HE3 TRP 49 HE3 TRP 49 0.144 -2.947 -1.552 397 HZ2 TRP 49 HZ2 TRP 49 2.359 -2.705 -6.010 398 HZ3 TRP 49 HZ3 TRP 49 -0.530 -1.272 -3.226 399 HH2 TRP 49 HH2 TRP 49 0.555 -1.157 -5.406 400 H TRP 50 H TRP 50 -0.445 -7.185 0.195 401 HA TRP 50 HA TRP 50 -0.026 -7.256 2.970 402 1HB TRP 50 2HB TRP 50 -2.231 -6.867 1.863 403 2HB TRP 50 1HB TRP 50 -2.273 -8.569 1.419 404 HD1 TRP 50 HD1 TRP 50 -3.240 -10.218 3.163 405 HE1 TRP 50 HE1 TRP 50 -4.099 -10.002 5.582 406 HE3 TRP 50 HE3 TRP 50 -1.723 -5.430 4.131 407 HZ2 TRP 50 HZ2 TRP 50 -4.121 -8.058 7.624 408 HZ3 TRP 50 HZ3 TRP 50 -2.201 -4.470 6.347 409 HH2 TRP 50 HH2 TRP 50 -3.375 -5.758 8.054 410 H GLU 51 H GLU 51 -0.327 -9.897 0.587 411 HA GLU 51 HA GLU 51 0.022 -12.021 2.306 412 1HB GLU 51 2HB GLU 51 -0.613 -11.895 -0.215 413 2HB GLU 51 1HB GLU 51 1.125 -11.983 -0.472 414 1HG GLU 51 2HG GLU 51 1.019 -13.971 1.098 415 2HG GLU 51 1HG GLU 51 -0.700 -13.973 0.747 416 H GLU 52 H GLU 52 2.400 -10.122 0.464 417 HA GLU 52 HA GLU 52 4.660 -11.585 1.280 418 1HB GLU 52 2HB GLU 52 4.384 -8.730 0.348 419 2HB GLU 52 1HB GLU 52 5.933 -9.517 0.621 420 1HG GLU 52 2HG GLU 52 5.359 -11.204 -1.057 421 2HG GLU 52 1HG GLU 52 3.826 -10.385 -1.340 422 H LEU 53 H LEU 53 2.983 -8.848 2.713 423 HA LEU 53 HA LEU 53 4.840 -8.293 4.764 424 1HB LEU 53 2HB LEU 53 3.087 -6.729 4.151 425 2HB LEU 53 1HB LEU 53 1.853 -7.877 4.633 426 HG LEU 53 HG LEU 53 2.683 -7.701 6.979 427 1HD1 LEU 53 1HD1 LEU 53 4.343 -5.446 5.862 428 2HD1 LEU 53 2HD1 LEU 53 4.958 -6.970 6.502 429 3HD1 LEU 53 3HD1 LEU 53 4.137 -5.831 7.571 430 1HD2 LEU 53 1HD2 LEU 53 1.813 -5.120 5.683 431 2HD2 LEU 53 2HD2 LEU 53 1.686 -5.511 7.398 432 3HD2 LEU 53 3HD2 LEU 53 0.751 -6.425 6.215 433 H GLN 54 H GLN 54 2.110 -10.515 4.547 434 HA GLN 54 HA GLN 54 2.354 -11.367 7.286 435 1HB GLN 54 2HB GLN 54 0.385 -11.523 5.322 436 2HB GLN 54 1HB GLN 54 0.906 -13.188 5.541 437 1HG GLN 54 2HG GLN 54 -0.978 -12.644 6.978 438 2HG GLN 54 1HG GLN 54 0.459 -13.036 7.922 439 1HE2 GLN 54 1HE2 GLN 54 -0.222 -11.922 9.735 440 2HE2 GLN 54 2HE2 GLN 54 -0.320 -10.197 9.793 441 H LYS 55 H LYS 55 3.623 -12.290 4.219 442 HA LYS 55 HA LYS 55 4.619 -14.863 5.105 443 1HB LYS 55 2HB LYS 55 3.819 -14.097 2.728 444 2HB LYS 55 1HB LYS 55 5.461 -13.491 2.586 445 1HG LYS 55 2HG LYS 55 6.331 -15.732 2.987 446 2HG LYS 55 1HG LYS 55 4.682 -16.341 3.155 447 1HD LYS 55 2HD LYS 55 4.214 -15.553 0.848 448 2HD LYS 55 1HD LYS 55 5.915 -15.111 0.699 449 1HE LYS 55 2HE LYS 55 4.848 -17.883 1.228 450 2HE LYS 55 1HE LYS 55 5.448 -17.292 -0.322 451 1HZ LYS 55 1HZ LYS 55 7.619 -16.935 0.738 452 2HZ LYS 55 2HZ LYS 55 7.141 -18.561 0.784 453 3HZ LYS 55 3HZ LYS 55 7.021 -17.610 2.178 454 H ASN 56 H ASN 56 5.433 -12.146 6.210 455 HA ASN 56 HA ASN 56 7.244 -11.369 7.322 456 1HB ASN 56 2HB ASN 56 8.123 -13.604 7.636 457 2HB ASN 56 1HB ASN 56 8.758 -13.629 5.998 458 1HD2 ASN 56 1HD2 ASN 56 10.681 -12.704 5.591 459 2HD2 ASN 56 2HD2 ASN 56 11.678 -11.990 6.805 460 HA PRO 57 HA PRO 57 8.262 -8.644 3.917 461 1HB PRO 57 2HB PRO 57 8.883 -6.530 5.521 462 2HB PRO 57 1HB PRO 57 7.228 -6.957 5.077 463 1HG PRO 57 2HG PRO 57 8.728 -7.547 7.594 464 2HG PRO 57 1HG PRO 57 7.041 -7.041 7.385 465 1HD PRO 57 2HD PRO 57 7.747 -9.611 7.860 466 2HD PRO 57 1HD PRO 57 6.329 -9.171 6.887 467 HA PRO 58 HA PRO 58 12.662 -9.425 4.125 468 1HB PRO 58 2HB PRO 58 12.806 -7.979 1.592 469 2HB PRO 58 1HB PRO 58 13.119 -9.683 1.922 470 1HG PRO 58 2HG PRO 58 10.970 -8.831 0.512 471 2HG PRO 58 1HG PRO 58 10.949 -10.298 1.506 472 1HD PRO 58 2HD PRO 58 9.851 -7.582 2.110 473 2HD PRO 58 1HD PRO 58 9.167 -9.184 2.463 474 H TYR 59 H TYR 59 14.672 -8.144 3.931 475 HA TYR 59 HA TYR 59 14.213 -5.338 4.697 476 1HB TYR 59 2HB TYR 59 15.334 -6.791 6.387 477 2HB TYR 59 1HB TYR 59 16.630 -7.081 5.233 478 HD1 TYR 59 HD1 TYR 59 14.965 -4.451 7.239 479 HD2 TYR 59 HD2 TYR 59 18.408 -5.536 4.987 480 HE1 TYR 59 HE1 TYR 59 16.113 -2.428 8.030 481 HE2 TYR 59 HE2 TYR 59 19.572 -3.521 5.783 482 HH TYR 59 HH TYR 59 18.948 -1.259 6.634 483 H GLU 60 H GLU 60 15.080 -3.748 3.485 484 HA GLU 60 HA GLU 60 16.283 -4.496 0.960 485 1HB GLU 60 2HB GLU 60 14.460 -2.739 1.233 486 2HB GLU 60 1HB GLU 60 15.687 -1.706 1.957 487 1HG GLU 60 2HG GLU 60 15.345 -1.189 -0.399 488 2HG GLU 60 1HG GLU 60 16.982 -1.765 -0.087 Start of MODEL 8 1 1H MET 1 1H MET 1 -8.947 -4.892 7.044 2 2H MET 1 2H MET 1 -9.435 -6.061 5.916 3 3H MET 1 3H MET 1 -9.882 -4.442 5.706 4 HA MET 1 HA MET 1 -7.093 -5.439 5.665 5 1HB MET 1 2HB MET 1 -8.630 -6.175 3.755 6 2HB MET 1 1HB MET 1 -8.740 -4.478 3.319 7 1HG MET 1 2HG MET 1 -6.121 -5.933 3.517 8 2HG MET 1 1HG MET 1 -7.075 -5.877 2.039 9 1HE MET 1 1HE MET 1 -5.064 -4.868 0.693 10 2HE MET 1 2HE MET 1 -4.045 -4.917 2.132 11 3HE MET 1 3HE MET 1 -4.155 -3.437 1.179 12 H ILE 2 H ILE 2 -5.633 -3.856 5.906 13 HA ILE 2 HA ILE 2 -6.639 -1.097 5.907 14 HB ILE 2 HB ILE 2 -4.117 -2.141 7.197 15 1HG1 ILE 2 2HG1 ILE 2 -5.469 -1.453 9.328 16 2HG1 ILE 2 1HG1 ILE 2 -6.873 -1.657 8.284 17 1HG2 ILE 2 1HG2 ILE 2 -5.453 0.551 7.364 18 2HG2 ILE 2 2HG2 ILE 2 -3.932 0.177 6.553 19 3HG2 ILE 2 3HG2 ILE 2 -4.050 0.045 8.308 20 1HD1 ILE 2 1HD1 ILE 2 -4.820 -3.772 8.902 21 2HD1 ILE 2 2HD1 ILE 2 -6.251 -3.976 7.892 22 3HD1 ILE 2 3HD1 ILE 2 -6.428 -3.645 9.615 23 H LEU 3 H LEU 3 -6.181 0.018 4.158 24 HA LEU 3 HA LEU 3 -4.400 -0.800 2.147 25 1HB LEU 3 2HB LEU 3 -6.336 1.216 2.563 26 2HB LEU 3 1HB LEU 3 -4.870 2.019 2.050 27 HG LEU 3 HG LEU 3 -6.255 1.573 0.140 28 1HD1 LEU 3 1HD1 LEU 3 -3.852 1.417 -0.191 29 2HD1 LEU 3 2HD1 LEU 3 -4.709 0.291 -1.242 30 3HD1 LEU 3 3HD1 LEU 3 -3.899 -0.300 0.209 31 1HD2 LEU 3 1HD2 LEU 3 -7.563 -0.274 0.994 32 2HD2 LEU 3 2HD2 LEU 3 -6.141 -1.316 0.993 33 3HD2 LEU 3 3HD2 LEU 3 -6.807 -0.732 -0.533 34 H TYR 4 H TYR 4 -4.032 1.285 4.898 35 HA TYR 4 HA TYR 4 -1.843 2.819 4.200 36 1HB TYR 4 2HB TYR 4 -3.288 2.880 6.339 37 2HB TYR 4 1HB TYR 4 -2.173 1.676 6.973 38 HD1 TYR 4 HD1 TYR 4 0.049 2.305 7.692 39 HD2 TYR 4 HD2 TYR 4 -2.501 5.154 5.834 40 HE1 TYR 4 HE1 TYR 4 1.561 4.115 8.397 41 HE2 TYR 4 HE2 TYR 4 -1.000 6.964 6.531 42 HH TYR 4 HH TYR 4 2.134 6.384 7.782 43 H ASP 5 H ASP 5 -1.861 -0.373 5.736 44 HA ASP 5 HA ASP 5 0.908 -0.662 6.013 45 1HB ASP 5 2HB ASP 5 -1.328 -2.673 5.808 46 2HB ASP 5 1HB ASP 5 0.344 -3.140 6.089 47 H ALA 6 H ALA 6 -1.265 -1.843 3.477 48 HA ALA 6 HA ALA 6 0.637 -3.069 1.855 49 1HB ALA 6 1HB ALA 6 -0.975 -2.855 0.050 50 2HB ALA 6 2HB ALA 6 -1.878 -1.654 0.976 51 3HB ALA 6 3HB ALA 6 -1.776 -3.320 1.548 52 H ILE 7 H ILE 7 -0.471 0.309 1.869 53 HA ILE 7 HA ILE 7 1.094 1.116 -0.352 54 HB ILE 7 HB ILE 7 0.049 2.815 1.924 55 1HG1 ILE 7 2HG1 ILE 7 -1.134 2.259 -0.807 56 2HG1 ILE 7 1HG1 ILE 7 -1.703 1.567 0.708 57 1HG2 ILE 7 1HG2 ILE 7 1.049 3.589 -0.822 58 2HG2 ILE 7 2HG2 ILE 7 1.810 3.964 0.726 59 3HG2 ILE 7 3HG2 ILE 7 0.251 4.675 0.314 60 1HD1 ILE 7 1HD1 ILE 7 -2.308 3.779 1.506 61 2HD1 ILE 7 2HD1 ILE 7 -3.101 3.420 -0.026 62 3HD1 ILE 7 3HD1 ILE 7 -1.705 4.499 0.012 63 H MET 8 H MET 8 1.691 1.036 3.121 64 HA MET 8 HA MET 8 4.155 2.438 3.045 65 1HB MET 8 2HB MET 8 2.995 0.546 5.081 66 2HB MET 8 1HB MET 8 4.536 1.359 5.299 67 1HG MET 8 2HG MET 8 2.010 2.888 4.782 68 2HG MET 8 1HG MET 8 2.463 2.365 6.402 69 1HE MET 8 1HE MET 8 2.852 4.843 3.592 70 2HE MET 8 2HE MET 8 4.441 4.142 3.280 71 3HE MET 8 3HE MET 8 4.311 5.766 3.948 72 H TYR 9 H TYR 9 3.300 -0.824 2.326 73 HA TYR 9 HA TYR 9 5.965 -1.856 2.643 74 1HB TYR 9 2HB TYR 9 3.933 -3.295 2.864 75 2HB TYR 9 1HB TYR 9 3.642 -3.085 1.138 76 HD1 TYR 9 HD1 TYR 9 4.870 -4.345 -0.476 77 HD2 TYR 9 HD2 TYR 9 5.952 -4.519 3.633 78 HE1 TYR 9 HE1 TYR 9 6.376 -6.230 -0.956 79 HE2 TYR 9 HE2 TYR 9 7.457 -6.403 3.165 80 HH TYR 9 HH TYR 9 8.424 -7.247 0.058 81 H LYS 10 H LYS 10 3.962 -0.661 0.005 82 HA LYS 10 HA LYS 10 5.926 -1.301 -2.014 83 1HB LYS 10 2HB LYS 10 3.271 -1.001 -2.150 84 2HB LYS 10 1HB LYS 10 3.731 0.651 -2.527 85 1HG LYS 10 2HG LYS 10 4.643 -1.797 -4.026 86 2HG LYS 10 1HG LYS 10 3.358 -0.705 -4.533 87 1HD LYS 10 2HD LYS 10 5.024 1.135 -4.586 88 2HD LYS 10 1HD LYS 10 6.283 -0.043 -4.221 89 1HE LYS 10 2HE LYS 10 6.251 0.346 -6.591 90 2HE LYS 10 1HE LYS 10 5.645 -1.279 -6.276 91 1HZ LYS 10 1HZ LYS 10 4.001 1.126 -6.891 92 2HZ LYS 10 2HZ LYS 10 3.378 -0.397 -6.494 93 3HZ LYS 10 3HZ LYS 10 4.276 -0.200 -7.912 94 H TYR 11 H TYR 11 4.639 1.660 -0.546 95 HA TYR 11 HA TYR 11 7.085 3.075 -1.388 96 1HB TYR 11 2HB TYR 11 4.402 4.372 -0.865 97 2HB TYR 11 1HB TYR 11 5.825 5.105 -1.594 98 HD1 TYR 11 HD1 TYR 11 2.792 3.285 -2.178 99 HD2 TYR 11 HD2 TYR 11 6.550 4.301 -3.895 100 HE1 TYR 11 HE1 TYR 11 1.930 2.684 -4.400 101 HE2 TYR 11 HE2 TYR 11 5.699 3.707 -6.126 102 HH TYR 11 HH TYR 11 2.428 3.237 -6.802 103 HA PRO 12 HA PRO 12 7.001 2.831 3.203 104 1HB PRO 12 2HB PRO 12 9.677 2.658 3.543 105 2HB PRO 12 1HB PRO 12 8.679 1.271 3.109 106 1HG PRO 12 2HG PRO 12 10.380 2.994 1.352 107 2HG PRO 12 1HG PRO 12 10.210 1.228 1.361 108 1HD PRO 12 2HD PRO 12 8.927 2.828 -0.419 109 2HD PRO 12 1HD PRO 12 8.260 1.285 0.148 110 H ASN 13 H ASN 13 8.612 4.990 1.048 111 HA ASN 13 HA ASN 13 9.409 6.825 3.157 112 1HB ASN 13 2HB ASN 13 10.827 6.345 1.135 113 2HB ASN 13 1HB ASN 13 9.642 7.229 0.192 114 1HD2 ASN 13 1HD2 ASN 13 10.861 7.903 3.418 115 2HD2 ASN 13 2HD2 ASN 13 11.574 9.422 3.023 116 H ALA 14 H ALA 14 6.641 6.215 1.435 117 HA ALA 14 HA ALA 14 5.780 8.805 0.704 118 1HB ALA 14 1HB ALA 14 3.571 7.814 0.456 119 2HB ALA 14 2HB ALA 14 4.106 6.372 1.318 120 3HB ALA 14 3HB ALA 14 4.807 6.772 -0.251 121 H VAL 15 H VAL 15 4.482 10.287 1.724 122 HA VAL 15 HA VAL 15 4.342 9.995 4.652 123 HB VAL 15 HB VAL 15 4.126 12.530 3.020 124 1HG1 VAL 15 1HG1 VAL 15 4.553 12.084 5.971 125 2HG1 VAL 15 2HG1 VAL 15 3.076 12.674 5.208 126 3HG1 VAL 15 3HG1 VAL 15 4.544 13.649 5.159 127 1HG2 VAL 15 1HG2 VAL 15 6.519 11.371 4.441 128 2HG2 VAL 15 2HG2 VAL 15 6.431 12.996 3.762 129 3HG2 VAL 15 3HG2 VAL 15 6.331 11.589 2.703 130 H SER 16 H SER 16 2.441 9.813 5.623 131 HA SER 16 HA SER 16 0.014 9.795 4.145 132 1HB SER 16 2HB SER 16 -0.955 9.693 6.573 133 2HB SER 16 1HB SER 16 -0.017 8.333 5.954 134 HG SER 16 HG SER 16 1.153 8.639 7.672 135 H ARG 17 H ARG 17 -1.645 11.252 4.110 136 HA ARG 17 HA ARG 17 -2.656 13.265 4.042 137 1HB ARG 17 2HB ARG 17 -1.091 13.618 6.583 138 2HB ARG 17 1HB ARG 17 -2.101 14.908 5.934 139 1HG ARG 17 2HG ARG 17 -4.031 13.389 5.975 140 2HG ARG 17 1HG ARG 17 -3.011 12.139 6.686 141 1HD ARG 17 2HD ARG 17 -2.791 13.304 8.697 142 2HD ARG 17 1HD ARG 17 -3.311 14.829 7.973 143 HE ARG 17 HE ARG 17 -5.554 13.743 7.749 144 1HH1 ARG 17 1HH1 ARG 17 -3.288 12.637 10.203 145 2HH1 ARG 17 2HH1 ARG 17 -4.545 12.080 11.272 146 1HH2 ARG 17 1HH2 ARG 17 -7.180 13.014 9.146 147 2HH2 ARG 17 2HH2 ARG 17 -6.763 12.297 10.671 148 H LYS 18 H LYS 18 -0.035 12.689 2.807 149 HA LYS 18 HA LYS 18 0.334 15.412 1.828 150 1HB LYS 18 2HB LYS 18 2.210 15.002 3.374 151 2HB LYS 18 1HB LYS 18 2.626 13.544 2.482 152 1HG LYS 18 2HG LYS 18 3.251 14.800 0.561 153 2HG LYS 18 1HG LYS 18 2.593 16.286 1.248 154 1HD LYS 18 2HD LYS 18 4.283 16.132 3.060 155 2HD LYS 18 1HD LYS 18 4.976 14.728 2.244 156 1HE LYS 18 2HE LYS 18 5.485 16.061 0.296 157 2HE LYS 18 1HE LYS 18 4.676 17.458 1.004 158 1HZ LYS 18 1HZ LYS 18 6.348 17.419 2.794 159 2HZ LYS 18 2HZ LYS 18 7.031 17.679 1.262 160 3HZ LYS 18 3HZ LYS 18 7.157 16.158 1.997 161 H ASP 19 H ASP 19 1.558 12.102 1.303 162 HA ASP 19 HA ASP 19 1.214 12.395 -1.565 163 1HB ASP 19 2HB ASP 19 2.145 10.034 0.089 164 2HB ASP 19 1HB ASP 19 2.145 10.098 -1.669 165 H PHE 20 H PHE 20 -0.225 10.668 1.134 166 HA PHE 20 HA PHE 20 -2.667 10.285 -0.376 167 1HB PHE 20 2HB PHE 20 -2.797 7.883 0.034 168 2HB PHE 20 1HB PHE 20 -1.341 8.247 -0.886 169 HD1 PHE 20 HD1 PHE 20 -2.685 6.811 2.123 170 HD2 PHE 20 HD2 PHE 20 0.874 8.283 0.313 171 HE1 PHE 20 HE1 PHE 20 -1.342 5.634 3.815 172 HE2 PHE 20 HE2 PHE 20 2.220 7.101 1.997 173 HZ PHE 20 HZ PHE 20 1.116 5.777 3.748 174 H GLU 21 H GLU 21 -4.482 9.976 0.975 175 HA GLU 21 HA GLU 21 -3.987 9.838 3.864 176 1HB GLU 21 2HB GLU 21 -4.333 12.211 3.374 177 2HB GLU 21 1HB GLU 21 -5.825 11.838 2.523 178 1HG GLU 21 2HG GLU 21 -6.847 11.080 4.577 179 2HG GLU 21 1HG GLU 21 -5.340 11.341 5.450 180 H LEU 22 H LEU 22 -5.476 8.613 4.967 181 HA LEU 22 HA LEU 22 -7.352 7.172 3.215 182 1HB LEU 22 2HB LEU 22 -5.843 6.036 5.560 183 2HB LEU 22 1HB LEU 22 -6.854 5.155 4.433 184 HG LEU 22 HG LEU 22 -4.201 6.459 3.813 185 1HD1 LEU 22 1HD1 LEU 22 -3.454 4.174 3.436 186 2HD1 LEU 22 2HD1 LEU 22 -5.044 3.570 3.901 187 3HD1 LEU 22 3HD1 LEU 22 -4.031 4.391 5.088 188 1HD2 LEU 22 1HD2 LEU 22 -5.719 6.640 1.909 189 2HD2 LEU 22 2HD2 LEU 22 -6.056 4.912 2.007 190 3HD2 LEU 22 3HD2 LEU 22 -4.437 5.471 1.590 191 H ARG 23 H ARG 23 -9.213 6.286 4.164 192 HA ARG 23 HA ARG 23 -10.011 7.409 6.773 193 1HB ARG 23 2HB ARG 23 -11.337 7.600 4.177 194 2HB ARG 23 1HB ARG 23 -12.379 6.934 5.427 195 1HG ARG 23 2HG ARG 23 -12.736 9.257 5.412 196 2HG ARG 23 1HG ARG 23 -11.771 8.908 6.842 197 1HD ARG 23 2HD ARG 23 -9.784 9.691 5.795 198 2HD ARG 23 1HD ARG 23 -10.589 9.823 4.233 199 HE ARG 23 HE ARG 23 -12.034 11.548 5.494 200 1HH1 ARG 23 1HH1 ARG 23 -8.638 10.960 6.078 201 2HH1 ARG 23 2HH1 ARG 23 -8.273 12.615 6.459 202 1HH2 ARG 23 1HH2 ARG 23 -11.584 13.726 6.015 203 2HH2 ARG 23 2HH2 ARG 23 -9.958 14.185 6.440 204 H ASN 24 H ASN 24 -11.988 6.153 7.607 205 HA ASN 24 HA ASN 24 -11.332 3.306 7.384 206 1HB ASN 24 2HB ASN 24 -11.360 4.222 9.653 207 2HB ASN 24 1HB ASN 24 -13.021 4.762 9.430 208 1HD2 ASN 24 1HD2 ASN 24 -13.830 3.529 11.105 209 2HD2 ASN 24 2HD2 ASN 24 -13.934 1.800 11.027 210 H ASP 25 H ASP 25 -12.511 2.072 6.129 211 HA ASP 25 HA ASP 25 -15.083 2.934 5.120 212 1HB ASP 25 2HB ASP 25 -13.680 1.776 3.563 213 2HB ASP 25 1HB ASP 25 -13.403 0.454 4.693 214 H GLY 26 H GLY 26 -13.835 0.808 7.549 215 1HA GLY 26 2HA GLY 26 -15.402 0.030 9.292 216 2HA GLY 26 1HA GLY 26 -16.532 -0.323 7.986 217 H ASN 27 H ASN 27 -14.691 -1.368 6.156 218 HA ASN 27 HA ASN 27 -14.015 -3.937 7.377 219 1HB ASN 27 2HB ASN 27 -14.019 -3.039 4.483 220 2HB ASN 27 1HB ASN 27 -13.591 -4.655 5.025 221 1HD2 ASN 27 1HD2 ASN 27 -16.151 -2.372 4.549 222 2HD2 ASN 27 2HD2 ASN 27 -17.462 -3.496 4.746 223 H GLY 28 H GLY 28 -12.604 -1.132 7.361 224 1HA GLY 28 2HA GLY 28 -10.180 -1.390 8.119 225 2HA GLY 28 1HA GLY 28 -9.943 -2.058 6.508 226 H SER 29 H SER 29 -8.350 -0.119 6.782 227 HA SER 29 HA SER 29 -9.534 2.465 6.245 228 1HB SER 29 2HB SER 29 -6.613 1.681 6.142 229 2HB SER 29 1HB SER 29 -7.282 3.302 6.327 230 HG SER 29 HG SER 29 -6.815 2.740 8.359 231 H TYR 30 H TYR 30 -9.820 3.359 4.281 232 HA TYR 30 HA TYR 30 -8.661 1.951 1.964 233 1HB TYR 30 2HB TYR 30 -10.649 2.435 0.678 234 2HB TYR 30 1HB TYR 30 -11.128 1.627 2.160 235 HD1 TYR 30 HD1 TYR 30 -11.767 4.350 0.025 236 HD2 TYR 30 HD2 TYR 30 -11.832 3.237 4.127 237 HE1 TYR 30 HE1 TYR 30 -13.335 6.190 0.492 238 HE2 TYR 30 HE2 TYR 30 -13.396 5.066 4.607 239 HH TYR 30 HH TYR 30 -15.157 6.632 2.365 240 H ILE 31 H ILE 31 -8.790 3.446 -0.046 241 HA ILE 31 HA ILE 31 -7.180 5.749 0.644 242 HB ILE 31 HB ILE 31 -7.974 4.714 -2.086 243 1HG1 ILE 31 2HG1 ILE 31 -5.418 4.327 -0.508 244 2HG1 ILE 31 1HG1 ILE 31 -6.639 3.092 -0.790 245 1HG2 ILE 31 1HG2 ILE 31 -5.849 6.706 -1.282 246 2HG2 ILE 31 2HG2 ILE 31 -7.353 7.073 -2.127 247 3HG2 ILE 31 3HG2 ILE 31 -6.122 6.089 -2.914 248 1HD1 ILE 31 1HD1 ILE 31 -4.726 2.815 -2.263 249 2HD1 ILE 31 2HD1 ILE 31 -4.985 4.435 -2.909 250 3HD1 ILE 31 3HD1 ILE 31 -6.191 3.178 -3.178 251 H GLU 32 H GLU 32 -7.949 7.702 0.931 252 HA GLU 32 HA GLU 32 -10.473 8.463 -0.387 253 1HB GLU 32 2HB GLU 32 -10.041 8.553 2.231 254 2HB GLU 32 1HB GLU 32 -9.236 10.061 1.829 255 1HG GLU 32 2HG GLU 32 -12.092 9.408 1.135 256 2HG GLU 32 1HG GLU 32 -11.586 10.329 2.548 257 H LYS 33 H LYS 33 -7.377 9.867 0.680 258 HA LYS 33 HA LYS 33 -7.490 11.775 -1.550 259 1HB LYS 33 2HB LYS 33 -5.582 11.668 0.794 260 2HB LYS 33 1HB LYS 33 -5.711 12.964 -0.384 261 1HG LYS 33 2HG LYS 33 -7.981 12.187 1.405 262 2HG LYS 33 1HG LYS 33 -6.760 13.359 1.874 263 1HD LYS 33 2HD LYS 33 -7.329 14.581 -0.254 264 2HD LYS 33 1HD LYS 33 -8.730 13.519 -0.367 265 1HE LYS 33 2HE LYS 33 -9.312 15.634 0.714 266 2HE LYS 33 1HE LYS 33 -9.495 14.273 1.819 267 1HZ LYS 33 1HZ LYS 33 -8.406 16.161 2.882 268 2HZ LYS 33 2HZ LYS 33 -7.166 16.115 1.731 269 3HZ LYS 33 3HZ LYS 33 -7.363 14.821 2.814 270 H TRP 34 H TRP 34 -6.175 11.581 -3.263 271 HA TRP 34 HA TRP 34 -3.734 9.973 -2.998 272 1HB TRP 34 2HB TRP 34 -5.552 8.662 -4.155 273 2HB TRP 34 1HB TRP 34 -5.558 9.888 -5.417 274 HD1 TRP 34 HD1 TRP 34 -3.868 9.569 -7.353 275 HE1 TRP 34 HE1 TRP 34 -1.956 7.913 -7.845 276 HE3 TRP 34 HE3 TRP 34 -3.612 7.254 -2.797 277 HZ2 TRP 34 HZ2 TRP 34 -0.534 5.905 -6.480 278 HZ3 TRP 34 HZ3 TRP 34 -1.945 5.475 -2.479 279 HH2 TRP 34 HH2 TRP 34 -0.439 4.814 -4.284 280 H ASN 35 H ASN 35 -2.115 11.371 -3.300 281 HA ASN 35 HA ASN 35 -2.553 13.600 -5.177 282 1HB ASN 35 2HB ASN 35 -0.794 13.481 -2.719 283 2HB ASN 35 1HB ASN 35 -0.887 14.848 -3.821 284 1HD2 ASN 35 1HD2 ASN 35 -1.478 14.634 -0.964 285 2HD2 ASN 35 2HD2 ASN 35 -3.118 15.172 -0.769 286 H LEU 36 H LEU 36 -1.089 10.736 -5.051 287 HA LEU 36 HA LEU 36 1.573 11.434 -5.890 288 1HB LEU 36 2HB LEU 36 0.083 8.821 -5.719 289 2HB LEU 36 1HB LEU 36 1.710 8.934 -6.356 290 HG LEU 36 HG LEU 36 0.907 9.750 -3.571 291 1HD1 LEU 36 1HD1 LEU 36 2.318 7.277 -4.558 292 2HD1 LEU 36 2HD1 LEU 36 0.699 7.349 -3.862 293 3HD1 LEU 36 3HD1 LEU 36 2.105 7.729 -2.867 294 1HD2 LEU 36 1HD2 LEU 36 2.833 10.978 -4.448 295 2HD2 LEU 36 2HD2 LEU 36 3.618 9.452 -4.860 296 3HD2 LEU 36 3HD2 LEU 36 3.311 9.860 -3.172 297 H ARG 37 H ARG 37 2.480 11.163 -7.911 298 HA ARG 37 HA ARG 37 0.634 11.416 -10.142 299 1HB ARG 37 2HB ARG 37 3.633 11.644 -9.915 300 2HB ARG 37 1HB ARG 37 2.782 11.746 -11.449 301 1HG ARG 37 2HG ARG 37 1.528 13.685 -10.584 302 2HG ARG 37 1HG ARG 37 2.485 13.606 -9.101 303 1HD ARG 37 2HD ARG 37 3.324 15.268 -10.750 304 2HD ARG 37 1HD ARG 37 4.509 14.037 -10.317 305 HE ARG 37 HE ARG 37 3.077 13.229 -12.617 306 1HH1 ARG 37 1HH1 ARG 37 5.501 15.541 -11.617 307 2HH1 ARG 37 2HH1 ARG 37 6.292 15.583 -13.164 308 1HH2 ARG 37 1HH2 ARG 37 4.106 13.256 -14.644 309 2HH2 ARG 37 2HH2 ARG 37 5.483 14.282 -14.901 310 H ALA 38 H ALA 38 0.634 8.941 -8.878 311 HA ALA 38 HA ALA 38 1.760 7.198 -10.960 312 1HB ALA 38 1HB ALA 38 2.159 5.490 -9.243 313 2HB ALA 38 2HB ALA 38 1.639 6.627 -8.000 314 3HB ALA 38 3HB ALA 38 3.093 6.954 -8.943 315 HA PRO 39 HA PRO 39 -2.408 5.857 -11.499 316 1HB PRO 39 2HB PRO 39 -1.908 3.318 -12.418 317 2HB PRO 39 1HB PRO 39 -1.798 4.776 -13.410 318 1HG PRO 39 2HG PRO 39 0.375 3.239 -12.048 319 2HG PRO 39 1HG PRO 39 0.360 3.968 -13.665 320 1HD PRO 39 2HD PRO 39 1.612 5.143 -11.594 321 2HD PRO 39 1HD PRO 39 0.787 6.094 -12.846 322 H LEU 40 H LEU 40 -3.974 4.658 -10.473 323 HA LEU 40 HA LEU 40 -3.372 3.622 -7.914 324 1HB LEU 40 2HB LEU 40 -5.823 3.708 -9.630 325 2HB LEU 40 1HB LEU 40 -5.816 2.761 -8.164 326 HG LEU 40 HG LEU 40 -6.829 4.879 -7.700 327 1HD1 LEU 40 1HD1 LEU 40 -5.423 3.936 -5.943 328 2HD1 LEU 40 2HD1 LEU 40 -5.422 5.699 -5.901 329 3HD1 LEU 40 3HD1 LEU 40 -4.038 4.834 -6.569 330 1HD2 LEU 40 1HD2 LEU 40 -5.883 6.172 -9.533 331 2HD2 LEU 40 2HD2 LEU 40 -4.303 6.146 -8.750 332 3HD2 LEU 40 3HD2 LEU 40 -5.648 6.999 -7.993 333 HA PRO 41 HA PRO 41 -2.349 -0.549 -9.170 334 1HB PRO 41 2HB PRO 41 -2.203 -1.598 -6.673 335 2HB PRO 41 1HB PRO 41 -0.921 -0.594 -7.363 336 1HG PRO 41 2HG PRO 41 -3.105 0.165 -5.461 337 2HG PRO 41 1HG PRO 41 -1.390 0.615 -5.434 338 1HD PRO 41 2HD PRO 41 -3.316 2.274 -6.361 339 2HD PRO 41 1HD PRO 41 -1.666 2.262 -7.014 340 H THR 42 H THR 42 -3.228 -2.782 -8.598 341 HA THR 42 HA THR 42 -6.147 -2.531 -8.615 342 HB THR 42 HB THR 42 -6.108 -4.930 -9.362 343 HG1 THR 42 HG1 THR 42 -3.305 -4.487 -9.674 344 1HG2 THR 42 1HG2 THR 42 -5.315 -4.447 -11.630 345 2HG2 THR 42 2HG2 THR 42 -4.506 -2.996 -11.040 346 3HG2 THR 42 3HG2 THR 42 -6.266 -3.108 -10.989 347 H GLN 43 H GLN 43 -7.409 -4.272 -7.496 348 HA GLN 43 HA GLN 43 -6.898 -4.303 -4.783 349 1HB GLN 43 2HB GLN 43 -8.733 -5.678 -6.628 350 2HB GLN 43 1HB GLN 43 -8.609 -6.293 -5.007 351 1HG GLN 43 2HG GLN 43 -9.313 -3.474 -5.765 352 2HG GLN 43 1HG GLN 43 -10.457 -4.712 -5.251 353 1HE2 GLN 43 1HE2 GLN 43 -8.694 -5.807 -3.223 354 2HE2 GLN 43 2HE2 GLN 43 -8.677 -4.656 -1.926 355 H ALA 44 H ALA 44 -6.231 -6.717 -7.267 356 HA ALA 44 HA ALA 44 -5.262 -8.747 -5.588 357 1HB ALA 44 1HB ALA 44 -4.411 -8.110 -8.414 358 2HB ALA 44 2HB ALA 44 -5.802 -9.091 -7.956 359 3HB ALA 44 3HB ALA 44 -4.173 -9.642 -7.570 360 H GLU 45 H GLU 45 -3.610 -6.074 -7.218 361 HA GLU 45 HA GLU 45 -1.002 -6.585 -6.361 362 1HB GLU 45 2HB GLU 45 -2.479 -4.092 -7.142 363 2HB GLU 45 1HB GLU 45 -0.821 -3.995 -6.584 364 1HG GLU 45 2HG GLU 45 -0.073 -5.393 -8.386 365 2HG GLU 45 1HG GLU 45 -1.738 -5.692 -8.885 366 H LEU 46 H LEU 46 -3.524 -4.558 -4.887 367 HA LEU 46 HA LEU 46 -2.129 -3.665 -2.668 368 1HB LEU 46 2HB LEU 46 -5.055 -4.363 -2.917 369 2HB LEU 46 1HB LEU 46 -4.359 -3.427 -1.616 370 HG LEU 46 HG LEU 46 -4.378 -2.620 -4.520 371 1HD1 LEU 46 1HD1 LEU 46 -6.596 -2.527 -3.555 372 2HD1 LEU 46 2HD1 LEU 46 -5.963 -0.896 -3.778 373 3HD1 LEU 46 3HD1 LEU 46 -5.980 -1.623 -2.172 374 1HD2 LEU 46 1HD2 LEU 46 -3.552 -0.471 -3.703 375 2HD2 LEU 46 2HD2 LEU 46 -2.424 -1.774 -3.326 376 3HD2 LEU 46 3HD2 LEU 46 -3.469 -1.121 -2.066 377 H GLU 47 H GLU 47 -4.067 -6.635 -3.013 378 HA GLU 47 HA GLU 47 -3.623 -7.491 -0.351 379 1HB GLU 47 2HB GLU 47 -4.548 -8.970 -2.800 380 2HB GLU 47 1HB GLU 47 -4.429 -9.719 -1.213 381 1HG GLU 47 2HG GLU 47 -5.966 -7.959 -0.352 382 2HG GLU 47 1HG GLU 47 -6.175 -7.416 -2.015 383 H THR 48 H THR 48 -1.806 -7.866 -3.299 384 HA THR 48 HA THR 48 -0.216 -10.061 -2.540 385 HB THR 48 HB THR 48 0.504 -7.754 -4.363 386 HG1 THR 48 HG1 THR 48 -1.397 -9.056 -4.922 387 1HG2 THR 48 1HG2 THR 48 1.709 -10.519 -4.159 388 2HG2 THR 48 2HG2 THR 48 2.482 -9.020 -3.639 389 3HG2 THR 48 3HG2 THR 48 2.133 -9.291 -5.348 390 H TRP 49 H TRP 49 0.416 -6.550 -2.282 391 HA TRP 49 HA TRP 49 2.853 -6.818 -0.876 392 1HB TRP 49 2HB TRP 49 0.898 -4.509 -0.805 393 2HB TRP 49 1HB TRP 49 2.584 -4.450 -0.306 394 HD1 TRP 49 HD1 TRP 49 4.091 -5.695 -2.676 395 HE1 TRP 49 HE1 TRP 49 4.083 -4.605 -5.013 396 HE3 TRP 49 HE3 TRP 49 -0.151 -2.867 -2.233 397 HZ2 TRP 49 HZ2 TRP 49 2.487 -2.798 -6.465 398 HZ3 TRP 49 HZ3 TRP 49 -0.844 -1.483 -4.149 399 HH2 TRP 49 HH2 TRP 49 0.448 -1.451 -6.219 400 H TRP 50 H TRP 50 -0.493 -6.503 0.157 401 HA TRP 50 HA TRP 50 -0.118 -6.293 2.913 402 1HB TRP 50 2HB TRP 50 -2.279 -5.908 1.940 403 2HB TRP 50 1HB TRP 50 -2.336 -7.535 1.278 404 HD1 TRP 50 HD1 TRP 50 -3.417 -9.367 2.744 405 HE1 TRP 50 HE1 TRP 50 -4.423 -9.436 5.107 406 HE3 TRP 50 HE3 TRP 50 -1.903 -4.773 4.399 407 HZ2 TRP 50 HZ2 TRP 50 -4.558 -7.764 7.376 408 HZ3 TRP 50 HZ3 TRP 50 -2.512 -4.085 6.682 409 HH2 TRP 50 HH2 TRP 50 -3.814 -5.552 8.139 410 H GLU 51 H GLU 51 -0.548 -9.213 0.912 411 HA GLU 51 HA GLU 51 -0.391 -11.095 2.910 412 1HB GLU 51 2HB GLU 51 -1.178 -11.324 0.530 413 2HB GLU 51 1HB GLU 51 0.518 -11.363 0.064 414 1HG GLU 51 2HG GLU 51 0.845 -13.248 1.529 415 2HG GLU 51 1HG GLU 51 -0.868 -13.252 1.892 416 H GLU 52 H GLU 52 2.166 -9.714 0.854 417 HA GLU 52 HA GLU 52 4.222 -11.322 1.922 418 1HB GLU 52 2HB GLU 52 4.299 -8.655 0.518 419 2HB GLU 52 1HB GLU 52 5.748 -9.535 0.994 420 1HG GLU 52 2HG GLU 52 4.965 -11.458 -0.353 421 2HG GLU 52 1HG GLU 52 3.613 -10.475 -0.902 422 H LEU 53 H LEU 53 3.031 -8.094 2.785 423 HA LEU 53 HA LEU 53 4.878 -7.549 4.820 424 1HB LEU 53 2HB LEU 53 3.327 -5.891 3.845 425 2HB LEU 53 1HB LEU 53 1.983 -6.697 4.626 426 HG LEU 53 HG LEU 53 4.200 -5.704 6.354 427 1HD1 LEU 53 1HD1 LEU 53 3.807 -3.834 4.838 428 2HD1 LEU 53 2HD1 LEU 53 3.181 -3.483 6.449 429 3HD1 LEU 53 3HD1 LEU 53 2.074 -3.935 5.153 430 1HD2 LEU 53 1HD2 LEU 53 2.318 -6.947 7.314 431 2HD2 LEU 53 2HD2 LEU 53 1.197 -5.759 6.648 432 3HD2 LEU 53 3HD2 LEU 53 2.353 -5.281 7.890 433 H GLN 54 H GLN 54 1.857 -9.368 4.847 434 HA GLN 54 HA GLN 54 1.774 -9.783 7.644 435 1HB GLN 54 2HB GLN 54 0.472 -11.125 5.294 436 2HB GLN 54 1HB GLN 54 0.243 -11.713 6.928 437 1HG GLN 54 2HG GLN 54 -0.437 -8.950 5.958 438 2HG GLN 54 1HG GLN 54 -1.582 -10.267 6.214 439 1HE2 GLN 54 1HE2 GLN 54 0.422 -7.878 7.732 440 2HE2 GLN 54 2HE2 GLN 54 -0.195 -8.074 9.337 441 H LYS 55 H LYS 55 3.165 -11.615 4.957 442 HA LYS 55 HA LYS 55 3.860 -13.841 6.643 443 1HB LYS 55 2HB LYS 55 3.338 -14.003 4.185 444 2HB LYS 55 1HB LYS 55 4.908 -13.268 3.880 445 1HG LYS 55 2HG LYS 55 5.953 -15.141 5.135 446 2HG LYS 55 1HG LYS 55 4.363 -15.897 5.235 447 1HD LYS 55 2HD LYS 55 4.233 -16.005 2.814 448 2HD LYS 55 1HD LYS 55 5.788 -15.180 2.679 449 1HE LYS 55 2HE LYS 55 6.869 -17.038 3.845 450 2HE LYS 55 1HE LYS 55 5.315 -17.858 3.978 451 1HZ LYS 55 1HZ LYS 55 5.215 -17.999 1.576 452 2HZ LYS 55 2HZ LYS 55 6.644 -18.710 2.144 453 3HZ LYS 55 3HZ LYS 55 6.687 -17.174 1.432 454 H ASN 56 H ASN 56 5.242 -10.841 6.147 455 HA ASN 56 HA ASN 56 7.977 -11.807 6.542 456 1HB ASN 56 2HB ASN 56 6.859 -9.162 5.656 457 2HB ASN 56 1HB ASN 56 8.528 -9.309 6.198 458 1HD2 ASN 56 1HD2 ASN 56 7.498 -8.603 3.578 459 2HD2 ASN 56 2HD2 ASN 56 8.132 -9.765 2.466 460 HA PRO 57 HA PRO 57 8.155 -10.432 10.765 461 1HB PRO 57 2HB PRO 57 10.982 -9.852 10.506 462 2HB PRO 57 1HB PRO 57 10.210 -11.222 11.306 463 1HG PRO 57 2HG PRO 57 11.693 -11.444 9.023 464 2HG PRO 57 1HG PRO 57 10.389 -12.561 9.463 465 1HD PRO 57 2HD PRO 57 10.352 -10.264 7.545 466 2HD PRO 57 1HD PRO 57 9.612 -11.873 7.394 467 HA PRO 58 HA PRO 58 8.172 -5.999 10.900 468 1HB PRO 58 2HB PRO 58 9.528 -6.041 13.507 469 2HB PRO 58 1HB PRO 58 7.897 -5.505 13.103 470 1HG PRO 58 2HG PRO 58 8.348 -7.760 14.498 471 2HG PRO 58 1HG PRO 58 6.995 -7.609 13.364 472 1HD PRO 58 2HD PRO 58 9.631 -8.977 12.996 473 2HD PRO 58 1HD PRO 58 8.010 -9.496 12.488 474 H TYR 59 H TYR 59 9.476 -4.263 10.460 475 HA TYR 59 HA TYR 59 12.277 -4.810 9.968 476 1HB TYR 59 2HB TYR 59 10.644 -3.450 8.473 477 2HB TYR 59 1HB TYR 59 10.923 -2.142 9.615 478 HD1 TYR 59 HD1 TYR 59 12.778 -0.723 9.329 479 HD2 TYR 59 HD2 TYR 59 12.701 -4.489 7.346 480 HE1 TYR 59 HE1 TYR 59 14.799 -0.099 8.069 481 HE2 TYR 59 HE2 TYR 59 14.723 -3.878 6.094 482 HH TYR 59 HH TYR 59 16.632 -1.146 6.889 483 H GLU 60 H GLU 60 13.992 -3.723 10.988 484 HA GLU 60 HA GLU 60 13.461 -2.971 13.725 485 1HB GLU 60 2HB GLU 60 15.371 -4.369 13.273 486 2HB GLU 60 1HB GLU 60 16.013 -3.203 12.125 487 1HG GLU 60 2HG GLU 60 16.175 -1.586 14.064 488 2HG GLU 60 1HG GLU 60 15.849 -2.964 15.115 Start of MODEL 9 1 1H MET 1 1H MET 1 -10.771 -3.323 4.937 2 2H MET 1 2H MET 1 -10.341 -3.963 6.448 3 3H MET 1 3H MET 1 -10.796 -5.003 5.190 4 HA MET 1 HA MET 1 -8.397 -4.999 5.528 5 1HB MET 1 2HB MET 1 -9.365 -5.404 3.283 6 2HB MET 1 1HB MET 1 -9.290 -3.678 2.950 7 1HG MET 1 2HG MET 1 -6.842 -3.761 3.155 8 2HG MET 1 1HG MET 1 -6.936 -5.498 3.445 9 1HE MET 1 1HE MET 1 -5.079 -4.278 1.173 10 2HE MET 1 2HE MET 1 -5.437 -5.371 -0.164 11 3HE MET 1 3HE MET 1 -5.244 -6.009 1.471 12 H ILE 2 H ILE 2 -6.471 -3.832 5.736 13 HA ILE 2 HA ILE 2 -6.840 -0.938 6.044 14 HB ILE 2 HB ILE 2 -4.580 -2.626 7.117 15 1HG1 ILE 2 2HG1 ILE 2 -5.700 -1.952 9.363 16 2HG1 ILE 2 1HG1 ILE 2 -7.138 -1.683 8.388 17 1HG2 ILE 2 1HG2 ILE 2 -4.067 -0.637 8.466 18 2HG2 ILE 2 2HG2 ILE 2 -5.338 0.242 7.615 19 3HG2 ILE 2 3HG2 ILE 2 -3.926 -0.341 6.733 20 1HD1 ILE 2 1HD1 ILE 2 -5.637 -4.277 8.639 21 2HD1 ILE 2 2HD1 ILE 2 -7.084 -4.009 7.665 22 3HD1 ILE 2 3HD1 ILE 2 -7.164 -3.872 9.421 23 H LEU 3 H LEU 3 -6.256 0.163 4.334 24 HA LEU 3 HA LEU 3 -4.545 -0.781 2.287 25 1HB LEU 3 2HB LEU 3 -6.142 1.597 2.913 26 2HB LEU 3 1HB LEU 3 -4.747 1.901 1.917 27 HG LEU 3 HG LEU 3 -6.667 1.567 0.509 28 1HD1 LEU 3 1HD1 LEU 3 -5.915 -0.320 -0.858 29 2HD1 LEU 3 2HD1 LEU 3 -4.858 -0.839 0.457 30 3HD1 LEU 3 3HD1 LEU 3 -4.574 0.705 -0.347 31 1HD2 LEU 3 1HD2 LEU 3 -8.054 0.301 2.051 32 2HD2 LEU 3 2HD2 LEU 3 -6.976 -1.088 1.906 33 3HD2 LEU 3 3HD2 LEU 3 -7.914 -0.547 0.513 34 H TYR 4 H TYR 4 -4.144 1.163 5.096 35 HA TYR 4 HA TYR 4 -1.905 2.667 4.628 36 1HB TYR 4 2HB TYR 4 -3.182 2.908 6.652 37 2HB TYR 4 1HB TYR 4 -2.815 1.261 7.142 38 HD1 TYR 4 HD1 TYR 4 -1.434 4.666 6.787 39 HD2 TYR 4 HD2 TYR 4 -0.799 0.742 8.302 40 HE1 TYR 4 HE1 TYR 4 0.436 5.498 8.151 41 HE2 TYR 4 HE2 TYR 4 1.077 1.560 9.660 42 HH TYR 4 HH TYR 4 1.663 4.858 10.192 43 H ASP 5 H ASP 5 -2.037 -0.747 5.551 44 HA ASP 5 HA ASP 5 0.731 -1.040 6.014 45 1HB ASP 5 2HB ASP 5 -1.402 -3.076 5.362 46 2HB ASP 5 1HB ASP 5 0.246 -3.495 5.791 47 H ALA 6 H ALA 6 -1.267 -2.018 3.258 48 HA ALA 6 HA ALA 6 0.779 -3.127 1.725 49 1HB ALA 6 1HB ALA 6 -1.620 -3.453 1.294 50 2HB ALA 6 2HB ALA 6 -0.741 -2.956 -0.150 51 3HB ALA 6 3HB ALA 6 -1.731 -1.787 0.724 52 H ILE 7 H ILE 7 -0.460 0.189 1.820 53 HA ILE 7 HA ILE 7 1.007 1.141 -0.393 54 HB ILE 7 HB ILE 7 0.017 2.745 1.969 55 1HG1 ILE 7 2HG1 ILE 7 -1.299 2.222 -0.703 56 2HG1 ILE 7 1HG1 ILE 7 -1.751 1.431 0.805 57 1HG2 ILE 7 1HG2 ILE 7 0.771 3.604 -0.831 58 2HG2 ILE 7 2HG2 ILE 7 1.689 3.935 0.639 59 3HG2 ILE 7 3HG2 ILE 7 0.091 4.643 0.424 60 1HD1 ILE 7 1HD1 ILE 7 -3.273 3.235 0.266 61 2HD1 ILE 7 2HD1 ILE 7 -1.928 4.377 0.222 62 3HD1 ILE 7 3HD1 ILE 7 -2.373 3.596 1.739 63 H MET 8 H MET 8 1.752 1.117 3.090 64 HA MET 8 HA MET 8 4.214 2.556 2.611 65 1HB MET 8 2HB MET 8 3.014 1.374 5.107 66 2HB MET 8 1HB MET 8 4.585 2.163 5.076 67 1HG MET 8 2HG MET 8 3.401 4.183 4.121 68 2HG MET 8 1HG MET 8 1.893 3.371 4.535 69 1HE MET 8 1HE MET 8 5.191 5.000 5.885 70 2HE MET 8 2HE MET 8 5.329 3.349 6.487 71 3HE MET 8 3HE MET 8 5.074 4.680 7.615 72 H TYR 9 H TYR 9 3.275 -0.667 2.430 73 HA TYR 9 HA TYR 9 5.822 -1.798 3.097 74 1HB TYR 9 2HB TYR 9 3.817 -3.177 3.235 75 2HB TYR 9 1HB TYR 9 3.510 -2.943 1.517 76 HD1 TYR 9 HD1 TYR 9 4.091 -4.691 0.131 77 HD2 TYR 9 HD2 TYR 9 6.318 -4.107 3.709 78 HE1 TYR 9 HE1 TYR 9 5.443 -6.674 -0.394 79 HE2 TYR 9 HE2 TYR 9 7.671 -6.097 3.198 80 HH TYR 9 HH TYR 9 7.325 -7.815 0.132 81 H LYS 10 H LYS 10 4.176 -0.757 0.143 82 HA LYS 10 HA LYS 10 6.430 -1.464 -1.518 83 1HB LYS 10 2HB LYS 10 4.072 -1.464 -2.360 84 2HB LYS 10 1HB LYS 10 4.063 0.288 -2.207 85 1HG LYS 10 2HG LYS 10 5.896 0.433 -3.833 86 2HG LYS 10 1HG LYS 10 5.872 -1.325 -3.998 87 1HD LYS 10 2HD LYS 10 3.465 -1.122 -4.681 88 2HD LYS 10 1HD LYS 10 3.700 0.624 -4.737 89 1HE LYS 10 2HE LYS 10 5.343 -1.349 -6.309 90 2HE LYS 10 1HE LYS 10 3.913 -0.541 -6.942 91 1HZ LYS 10 1HZ LYS 10 5.016 1.593 -6.597 92 2HZ LYS 10 2HZ LYS 10 5.924 0.593 -7.619 93 3HZ LYS 10 3HZ LYS 10 6.399 0.803 -6.006 94 H TYR 11 H TYR 11 5.119 1.453 -0.025 95 HA TYR 11 HA TYR 11 7.566 2.865 -0.865 96 1HB TYR 11 2HB TYR 11 4.828 4.065 -0.387 97 2HB TYR 11 1HB TYR 11 6.279 4.957 -0.831 98 HD1 TYR 11 HD1 TYR 11 3.434 3.165 -2.014 99 HD2 TYR 11 HD2 TYR 11 7.348 4.433 -3.089 100 HE1 TYR 11 HE1 TYR 11 2.879 2.836 -4.383 101 HE2 TYR 11 HE2 TYR 11 6.805 4.112 -5.466 102 HH TYR 11 HH TYR 11 3.618 3.587 -6.580 103 HA PRO 12 HA PRO 12 7.955 2.713 3.682 104 1HB PRO 12 2HB PRO 12 10.683 3.595 2.953 105 2HB PRO 12 1HB PRO 12 10.170 2.242 3.961 106 1HG PRO 12 2HG PRO 12 11.180 1.841 1.524 107 2HG PRO 12 1HG PRO 12 9.863 0.833 2.155 108 1HD PRO 12 2HD PRO 12 9.743 3.108 0.206 109 2HD PRO 12 1HD PRO 12 8.876 1.556 0.183 110 H ASN 13 H ASN 13 8.701 5.178 1.334 111 HA ASN 13 HA ASN 13 8.843 7.242 3.396 112 1HB ASN 13 2HB ASN 13 9.477 7.236 0.446 113 2HB ASN 13 1HB ASN 13 9.458 8.700 1.415 114 1HD2 ASN 13 1HD2 ASN 13 11.644 7.400 -0.023 115 2HD2 ASN 13 2HD2 ASN 13 12.879 7.116 1.157 116 H ALA 14 H ALA 14 6.371 5.762 2.318 117 HA ALA 14 HA ALA 14 4.854 7.944 1.160 118 1HB ALA 14 1HB ALA 14 4.472 5.694 0.321 119 2HB ALA 14 2HB ALA 14 3.006 6.339 1.061 120 3HB ALA 14 3HB ALA 14 3.990 5.162 1.931 121 H VAL 15 H VAL 15 4.465 9.504 2.610 122 HA VAL 15 HA VAL 15 3.628 8.839 5.308 123 HB VAL 15 HB VAL 15 3.890 11.578 4.054 124 1HG1 VAL 15 1HG1 VAL 15 3.807 10.726 6.947 125 2HG1 VAL 15 2HG1 VAL 15 2.494 11.497 6.060 126 3HG1 VAL 15 3HG1 VAL 15 3.994 12.378 6.351 127 1HG2 VAL 15 1HG2 VAL 15 5.903 10.029 5.683 128 2HG2 VAL 15 2HG2 VAL 15 6.075 11.700 5.142 129 3HG2 VAL 15 3HG2 VAL 15 6.016 10.390 3.962 130 H SER 16 H SER 16 1.566 8.470 5.767 131 HA SER 16 HA SER 16 -0.528 9.062 3.931 132 1HB SER 16 2HB SER 16 -1.998 8.206 5.807 133 2HB SER 16 1HB SER 16 -0.757 7.085 5.251 134 HG SER 16 HG SER 16 0.218 7.220 7.123 135 H ARG 17 H ARG 17 -2.298 10.446 4.236 136 HA ARG 17 HA ARG 17 -3.331 12.407 4.699 137 1HB ARG 17 2HB ARG 17 -1.792 12.325 7.303 138 2HB ARG 17 1HB ARG 17 -3.171 13.358 6.950 139 1HG ARG 17 2HG ARG 17 -4.554 11.332 6.639 140 2HG ARG 17 1HG ARG 17 -3.170 10.355 7.129 141 1HD ARG 17 2HD ARG 17 -3.129 11.620 9.274 142 2HD ARG 17 1HD ARG 17 -4.625 12.411 8.776 143 HE ARG 17 HE ARG 17 -4.377 9.492 9.141 144 1HH1 ARG 17 1HH1 ARG 17 -6.177 12.482 9.386 145 2HH1 ARG 17 2HH1 ARG 17 -7.514 11.764 10.238 146 1HH2 ARG 17 1HH2 ARG 17 -6.132 8.532 10.244 147 2HH2 ARG 17 2HH2 ARG 17 -7.481 9.505 10.740 148 H LYS 18 H LYS 18 -0.576 12.173 3.545 149 HA LYS 18 HA LYS 18 0.034 15.045 3.690 150 1HB LYS 18 2HB LYS 18 1.817 13.650 4.738 151 2HB LYS 18 1HB LYS 18 2.025 12.808 3.213 152 1HG LYS 18 2HG LYS 18 2.348 15.778 3.328 153 2HG LYS 18 1HG LYS 18 3.648 14.722 3.880 154 1HD LYS 18 2HD LYS 18 3.598 13.589 1.674 155 2HD LYS 18 1HD LYS 18 2.381 14.750 1.141 156 1HE LYS 18 2HE LYS 18 3.948 16.575 1.487 157 2HE LYS 18 1HE LYS 18 5.159 15.438 2.079 158 1HZ LYS 18 1HZ LYS 18 4.069 15.647 -0.670 159 2HZ LYS 18 2HZ LYS 18 4.984 14.322 -0.143 160 3HZ LYS 18 3HZ LYS 18 5.674 15.870 -0.170 161 H ASP 19 H ASP 19 1.000 12.324 1.591 162 HA ASP 19 HA ASP 19 0.096 13.938 -0.698 163 1HB ASP 19 2HB ASP 19 2.589 12.974 -0.296 164 2HB ASP 19 1HB ASP 19 1.882 11.624 -1.183 165 H PHE 20 H PHE 20 -0.922 11.569 1.192 166 HA PHE 20 HA PHE 20 -3.038 10.924 -0.578 167 1HB PHE 20 2HB PHE 20 -2.801 8.505 -0.641 168 2HB PHE 20 1HB PHE 20 -1.374 9.241 -1.356 169 HD1 PHE 20 HD1 PHE 20 -2.655 7.086 1.217 170 HD2 PHE 20 HD2 PHE 20 0.746 9.318 -0.033 171 HE1 PHE 20 HE1 PHE 20 -1.239 5.766 2.730 172 HE2 PHE 20 HE2 PHE 20 2.167 8.002 1.480 173 HZ PHE 20 HZ PHE 20 1.175 6.222 2.865 174 H GLU 21 H GLU 21 -4.824 10.689 0.647 175 HA GLU 21 HA GLU 21 -4.333 10.504 3.546 176 1HB GLU 21 2HB GLU 21 -5.063 12.731 2.742 177 2HB GLU 21 1HB GLU 21 -6.546 12.002 2.145 178 1HG GLU 21 2HG GLU 21 -7.275 11.486 4.341 179 2HG GLU 21 1HG GLU 21 -5.704 11.903 5.028 180 H LEU 22 H LEU 22 -5.349 9.035 4.686 181 HA LEU 22 HA LEU 22 -7.330 7.342 3.327 182 1HB LEU 22 2HB LEU 22 -5.684 6.617 5.747 183 2HB LEU 22 1HB LEU 22 -6.620 5.543 4.728 184 HG LEU 22 HG LEU 22 -4.104 6.983 3.883 185 1HD1 LEU 22 1HD1 LEU 22 -4.575 4.079 4.542 186 2HD1 LEU 22 2HD1 LEU 22 -3.681 5.232 5.534 187 3HD1 LEU 22 3HD1 LEU 22 -3.072 4.779 3.941 188 1HD2 LEU 22 1HD2 LEU 22 -4.217 5.572 1.903 189 2HD2 LEU 22 2HD2 LEU 22 -5.648 6.595 2.030 190 3HD2 LEU 22 3HD2 LEU 22 -5.739 4.887 2.464 191 H ARG 23 H ARG 23 -9.142 6.618 4.566 192 HA ARG 23 HA ARG 23 -9.570 8.021 7.108 193 1HB ARG 23 2HB ARG 23 -11.423 8.016 4.753 194 2HB ARG 23 1HB ARG 23 -12.058 8.154 6.387 195 1HG ARG 23 2HG ARG 23 -11.863 10.345 5.861 196 2HG ARG 23 1HG ARG 23 -10.262 10.077 6.546 197 1HD ARG 23 2HD ARG 23 -9.360 9.716 4.306 198 2HD ARG 23 1HD ARG 23 -10.957 9.987 3.615 199 HE ARG 23 HE ARG 23 -9.142 11.989 4.688 200 1HH1 ARG 23 1HH1 ARG 23 -12.375 11.268 3.588 201 2HH1 ARG 23 2HH1 ARG 23 -12.711 12.894 3.077 202 1HH2 ARG 23 1HH2 ARG 23 -9.557 14.133 4.018 203 2HH2 ARG 23 2HH2 ARG 23 -11.124 14.530 3.357 204 H ASN 24 H ASN 24 -11.666 7.181 8.125 205 HA ASN 24 HA ASN 24 -11.349 4.258 8.222 206 1HB ASN 24 2HB ASN 24 -10.999 5.524 10.327 207 2HB ASN 24 1HB ASN 24 -12.653 6.115 10.225 208 1HD2 ASN 24 1HD2 ASN 24 -14.334 4.779 10.765 209 2HD2 ASN 24 2HD2 ASN 24 -14.107 3.223 11.505 210 H ASP 25 H ASP 25 -12.854 2.997 7.395 211 HA ASP 25 HA ASP 25 -15.426 4.177 6.628 212 1HB ASP 25 2HB ASP 25 -14.383 3.105 4.794 213 2HB ASP 25 1HB ASP 25 -13.937 1.704 5.761 214 H GLY 26 H GLY 26 -14.032 1.683 8.643 215 1HA GLY 26 2HA GLY 26 -15.407 1.000 10.590 216 2HA GLY 26 1HA GLY 26 -16.756 0.872 9.465 217 H ASN 27 H ASN 27 -15.104 -0.230 7.353 218 HA ASN 27 HA ASN 27 -14.786 -2.960 8.365 219 1HB ASN 27 2HB ASN 27 -16.248 -2.512 6.361 220 2HB ASN 27 1HB ASN 27 -14.805 -2.013 5.489 221 1HD2 ASN 27 1HD2 ASN 27 -16.554 -4.663 6.865 222 2HD2 ASN 27 2HD2 ASN 27 -15.650 -5.924 6.094 223 H GLY 28 H GLY 28 -13.018 -0.252 7.753 224 1HA GLY 28 2HA GLY 28 -10.534 -1.081 8.327 225 2HA GLY 28 1HA GLY 28 -10.672 -1.512 6.628 226 H SER 29 H SER 29 -8.734 0.172 7.071 227 HA SER 29 HA SER 29 -9.714 2.899 6.694 228 1HB SER 29 2HB SER 29 -6.850 1.938 6.929 229 2HB SER 29 1HB SER 29 -7.430 3.598 7.070 230 HG SER 29 HG SER 29 -7.558 3.162 9.125 231 H TYR 30 H TYR 30 -10.047 3.597 4.695 232 HA TYR 30 HA TYR 30 -8.832 2.098 2.473 233 1HB TYR 30 2HB TYR 30 -10.737 2.819 1.136 234 2HB TYR 30 1HB TYR 30 -11.295 2.038 2.607 235 HD1 TYR 30 HD1 TYR 30 -12.405 3.343 4.368 236 HD2 TYR 30 HD2 TYR 30 -11.080 5.188 0.770 237 HE1 TYR 30 HE1 TYR 30 -13.754 5.334 4.893 238 HE2 TYR 30 HE2 TYR 30 -12.427 7.173 1.283 239 HH TYR 30 HH TYR 30 -14.019 8.026 2.605 240 H ILE 31 H ILE 31 -8.654 3.401 0.408 241 HA ILE 31 HA ILE 31 -7.178 5.858 0.940 242 HB ILE 31 HB ILE 31 -7.704 4.498 -1.707 243 1HG1 ILE 31 2HG1 ILE 31 -5.262 4.317 0.075 244 2HG1 ILE 31 1HG1 ILE 31 -6.452 3.040 -0.143 245 1HG2 ILE 31 1HG2 ILE 31 -7.126 6.841 -1.953 246 2HG2 ILE 31 2HG2 ILE 31 -5.797 5.822 -2.506 247 3HG2 ILE 31 3HG2 ILE 31 -5.700 6.621 -0.936 248 1HD1 ILE 31 1HD1 ILE 31 -4.714 4.174 -2.324 249 2HD1 ILE 31 2HD1 ILE 31 -5.851 2.831 -2.476 250 3HD1 ILE 31 3HD1 ILE 31 -4.423 2.668 -1.454 251 H GLU 32 H GLU 32 -8.162 7.760 0.947 252 HA GLU 32 HA GLU 32 -10.716 8.004 -0.473 253 1HB GLU 32 2HB GLU 32 -10.648 8.546 1.955 254 2HB GLU 32 1HB GLU 32 -9.519 9.845 1.596 255 1HG GLU 32 2HG GLU 32 -11.749 10.720 1.871 256 2HG GLU 32 1HG GLU 32 -11.214 10.929 0.204 257 H LYS 33 H LYS 33 -7.783 9.926 0.157 258 HA LYS 33 HA LYS 33 -8.204 11.228 -2.440 259 1HB LYS 33 2HB LYS 33 -8.715 12.803 -0.730 260 2HB LYS 33 1HB LYS 33 -7.291 12.359 0.198 261 1HG LYS 33 2HG LYS 33 -5.861 13.518 -1.221 262 2HG LYS 33 1HG LYS 33 -7.039 13.557 -2.528 263 1HD LYS 33 2HD LYS 33 -6.569 15.677 -1.115 264 2HD LYS 33 1HD LYS 33 -8.209 15.289 -1.605 265 1HE LYS 33 2HE LYS 33 -8.300 15.925 0.671 266 2HE LYS 33 1HE LYS 33 -8.493 14.177 0.627 267 1HZ LYS 33 1HZ LYS 33 -6.112 15.734 1.455 268 2HZ LYS 33 2HZ LYS 33 -6.022 14.084 1.085 269 3HZ LYS 33 3HZ LYS 33 -7.010 14.611 2.362 270 H TRP 34 H TRP 34 -6.728 10.644 -3.815 271 HA TRP 34 HA TRP 34 -4.097 9.714 -2.865 272 1HB TRP 34 2HB TRP 34 -5.535 8.075 -4.026 273 2HB TRP 34 1HB TRP 34 -5.629 9.140 -5.417 274 HD1 TRP 34 HD1 TRP 34 -3.535 9.210 -7.056 275 HE1 TRP 34 HE1 TRP 34 -1.583 7.571 -7.416 276 HE3 TRP 34 HE3 TRP 34 -3.945 6.505 -2.737 277 HZ2 TRP 34 HZ2 TRP 34 -0.376 5.420 -6.045 278 HZ3 TRP 34 HZ3 TRP 34 -2.354 4.669 -2.340 279 HH2 TRP 34 HH2 TRP 34 -0.609 4.141 -3.960 280 H ASN 35 H ASN 35 -2.525 11.213 -3.121 281 HA ASN 35 HA ASN 35 -2.751 13.088 -5.382 282 1HB ASN 35 2HB ASN 35 -1.541 13.419 -2.642 283 2HB ASN 35 1HB ASN 35 -1.117 14.494 -3.969 284 1HD2 ASN 35 1HD2 ASN 35 -1.955 16.230 -2.830 285 2HD2 ASN 35 2HD2 ASN 35 -3.658 16.514 -2.731 286 H LEU 36 H LEU 36 -1.220 10.362 -4.614 287 HA LEU 36 HA LEU 36 1.496 10.974 -5.191 288 1HB LEU 36 2HB LEU 36 0.026 8.342 -5.378 289 2HB LEU 36 1HB LEU 36 1.763 8.531 -5.472 290 HG LEU 36 HG LEU 36 0.055 9.152 -3.073 291 1HD1 LEU 36 1HD1 LEU 36 2.037 6.938 -3.567 292 2HD1 LEU 36 2HD1 LEU 36 0.284 6.761 -3.500 293 3HD1 LEU 36 3HD1 LEU 36 1.176 7.244 -2.057 294 1HD2 LEU 36 1HD2 LEU 36 1.981 10.644 -3.241 295 2HD2 LEU 36 2HD2 LEU 36 3.047 9.248 -3.405 296 3HD2 LEU 36 3HD2 LEU 36 2.159 9.508 -1.904 297 H ARG 37 H ARG 37 2.638 10.816 -7.094 298 HA ARG 37 HA ARG 37 1.048 11.177 -9.485 299 1HB ARG 37 2HB ARG 37 4.035 11.286 -9.056 300 2HB ARG 37 1HB ARG 37 3.239 11.631 -10.587 301 1HG ARG 37 2HG ARG 37 1.928 13.398 -9.272 302 2HG ARG 37 1HG ARG 37 3.172 13.194 -8.036 303 1HD ARG 37 2HD ARG 37 3.777 15.028 -9.472 304 2HD ARG 37 1HD ARG 37 4.888 13.689 -9.752 305 HE ARG 37 HE ARG 37 2.814 13.441 -11.596 306 1HH1 ARG 37 1HH1 ARG 37 5.441 15.644 -10.880 307 2HH1 ARG 37 2HH1 ARG 37 5.563 16.221 -12.512 308 1HH2 ARG 37 1HH2 ARG 37 2.972 14.226 -13.751 309 2HH2 ARG 37 2HH2 ARG 37 4.168 15.435 -14.131 310 H ALA 38 H ALA 38 0.771 8.670 -8.466 311 HA ALA 38 HA ALA 38 1.837 7.059 -10.669 312 1HB ALA 38 1HB ALA 38 2.150 5.155 -9.156 313 2HB ALA 38 2HB ALA 38 1.708 6.169 -7.782 314 3HB ALA 38 3HB ALA 38 3.177 6.512 -8.697 315 HA PRO 39 HA PRO 39 -2.452 6.121 -11.199 316 1HB PRO 39 2HB PRO 39 -2.210 3.604 -12.282 317 2HB PRO 39 1HB PRO 39 -2.002 5.103 -13.194 318 1HG PRO 39 2HG PRO 39 0.068 3.308 -11.995 319 2HG PRO 39 1HG PRO 39 0.072 4.130 -13.566 320 1HD PRO 39 2HD PRO 39 1.483 5.063 -11.482 321 2HD PRO 39 1HD PRO 39 0.702 6.160 -12.642 322 H LEU 40 H LEU 40 -4.110 4.798 -10.355 323 HA LEU 40 HA LEU 40 -3.626 3.793 -7.760 324 1HB LEU 40 2HB LEU 40 -5.965 3.853 -9.617 325 2HB LEU 40 1HB LEU 40 -6.038 2.822 -8.208 326 HG LEU 40 HG LEU 40 -7.133 4.927 -7.753 327 1HD1 LEU 40 1HD1 LEU 40 -5.979 3.856 -5.906 328 2HD1 LEU 40 2HD1 LEU 40 -5.905 5.613 -5.756 329 3HD1 LEU 40 3HD1 LEU 40 -4.494 4.716 -6.318 330 1HD2 LEU 40 1HD2 LEU 40 -5.908 7.042 -7.753 331 2HD2 LEU 40 2HD2 LEU 40 -5.955 6.327 -9.365 332 3HD2 LEU 40 3HD2 LEU 40 -4.486 6.221 -8.395 333 HA PRO 41 HA PRO 41 -2.139 -0.252 -8.948 334 1HB PRO 41 2HB PRO 41 -2.201 -1.272 -6.398 335 2HB PRO 41 1HB PRO 41 -0.875 -0.302 -7.047 336 1HG PRO 41 2HG PRO 41 -3.160 0.529 -5.309 337 2HG PRO 41 1HG PRO 41 -1.455 1.008 -5.222 338 1HD PRO 41 2HD PRO 41 -3.325 2.615 -6.290 339 2HD PRO 41 1HD PRO 41 -1.674 2.548 -6.939 340 H THR 42 H THR 42 -2.867 -2.535 -8.544 341 HA THR 42 HA THR 42 -5.785 -2.539 -8.780 342 HB THR 42 HB THR 42 -5.405 -4.921 -9.593 343 HG1 THR 42 HG1 THR 42 -2.692 -4.016 -9.728 344 1HG2 THR 42 1HG2 THR 42 -5.810 -3.070 -11.139 345 2HG2 THR 42 2HG2 THR 42 -4.634 -4.202 -11.809 346 3HG2 THR 42 3HG2 THR 42 -4.091 -2.671 -11.122 347 H GLN 43 H GLN 43 -6.921 -4.521 -7.874 348 HA GLN 43 HA GLN 43 -6.625 -4.578 -5.111 349 1HB GLN 43 2HB GLN 43 -8.160 -6.132 -7.107 350 2HB GLN 43 1HB GLN 43 -8.165 -6.619 -5.440 351 1HG GLN 43 2HG GLN 43 -9.126 -4.021 -6.585 352 2HG GLN 43 1HG GLN 43 -10.094 -5.278 -5.818 353 1HE2 GLN 43 1HE2 GLN 43 -9.837 -5.618 -3.543 354 2HE2 GLN 43 2HE2 GLN 43 -9.320 -4.318 -2.523 355 H ALA 44 H ALA 44 -5.738 -6.912 -7.625 356 HA ALA 44 HA ALA 44 -4.692 -8.913 -5.984 357 1HB ALA 44 1HB ALA 44 -3.794 -8.098 -8.746 358 2HB ALA 44 2HB ALA 44 -5.067 -9.255 -8.359 359 3HB ALA 44 3HB ALA 44 -3.391 -9.618 -7.951 360 H GLU 45 H GLU 45 -3.122 -6.074 -7.403 361 HA GLU 45 HA GLU 45 -0.546 -6.482 -6.417 362 1HB GLU 45 2HB GLU 45 -2.118 -4.084 -7.251 363 2HB GLU 45 1HB GLU 45 -0.572 -3.833 -6.462 364 1HG GLU 45 2HG GLU 45 0.532 -5.146 -8.187 365 2HG GLU 45 1HG GLU 45 -1.026 -5.458 -8.954 366 H LEU 46 H LEU 46 -3.187 -4.560 -4.999 367 HA LEU 46 HA LEU 46 -1.900 -3.748 -2.686 368 1HB LEU 46 2HB LEU 46 -4.805 -4.335 -3.223 369 2HB LEU 46 1HB LEU 46 -4.234 -3.592 -1.746 370 HG LEU 46 HG LEU 46 -3.844 -2.421 -4.499 371 1HD1 LEU 46 1HD1 LEU 46 -5.828 -1.696 -2.347 372 2HD1 LEU 46 2HD1 LEU 46 -6.205 -2.470 -3.886 373 3HD1 LEU 46 3HD1 LEU 46 -5.574 -0.823 -3.859 374 1HD2 LEU 46 1HD2 LEU 46 -3.188 -0.413 -3.292 375 2HD2 LEU 46 2HD2 LEU 46 -2.143 -1.764 -2.857 376 3HD2 LEU 46 3HD2 LEU 46 -3.416 -1.244 -1.753 377 H GLU 47 H GLU 47 -3.824 -6.691 -3.230 378 HA GLU 47 HA GLU 47 -3.543 -7.533 -0.524 379 1HB GLU 47 2HB GLU 47 -4.535 -8.980 -2.970 380 2HB GLU 47 1HB GLU 47 -4.558 -9.668 -1.347 381 1HG GLU 47 2HG GLU 47 -5.958 -7.776 -0.602 382 2HG GLU 47 1HG GLU 47 -5.980 -7.172 -2.256 383 H THR 48 H THR 48 -1.587 -7.911 -3.353 384 HA THR 48 HA THR 48 -0.116 -10.186 -2.430 385 HB THR 48 HB THR 48 0.743 -7.999 -4.352 386 HG1 THR 48 HG1 THR 48 -1.089 -9.183 -5.072 387 1HG2 THR 48 1HG2 THR 48 1.880 -10.767 -3.929 388 2HG2 THR 48 2HG2 THR 48 2.648 -9.256 -3.438 389 3HG2 THR 48 3HG2 THR 48 2.400 -9.603 -5.148 390 H TRP 49 H TRP 49 0.404 -6.662 -2.219 391 HA TRP 49 HA TRP 49 2.784 -6.813 -0.709 392 1HB TRP 49 2HB TRP 49 0.684 -4.632 -0.724 393 2HB TRP 49 1HB TRP 49 2.320 -4.473 -0.091 394 HD1 TRP 49 HD1 TRP 49 4.033 -5.679 -2.385 395 HE1 TRP 49 HE1 TRP 49 4.162 -4.545 -4.698 396 HE3 TRP 49 HE3 TRP 49 -0.257 -2.903 -2.162 397 HZ2 TRP 49 HZ2 TRP 49 2.639 -2.722 -6.213 398 HZ3 TRP 49 HZ3 TRP 49 -0.840 -1.487 -4.085 399 HH2 TRP 49 HH2 TRP 49 0.580 -1.398 -6.066 400 H TRP 50 H TRP 50 -0.613 -6.754 0.162 401 HA TRP 50 HA TRP 50 -0.364 -6.713 2.950 402 1HB TRP 50 2HB TRP 50 -2.505 -6.405 1.793 403 2HB TRP 50 1HB TRP 50 -2.451 -8.069 1.225 404 HD1 TRP 50 HD1 TRP 50 -3.163 -9.969 2.921 405 HE1 TRP 50 HE1 TRP 50 -4.341 -9.925 5.214 406 HE3 TRP 50 HE3 TRP 50 -2.692 -4.986 3.968 407 HZ2 TRP 50 HZ2 TRP 50 -4.982 -8.011 7.198 408 HZ3 TRP 50 HZ3 TRP 50 -3.613 -4.132 6.077 409 HH2 TRP 50 HH2 TRP 50 -4.734 -5.613 7.658 410 H GLU 51 H GLU 51 -0.329 -9.390 0.641 411 HA GLU 51 HA GLU 51 -0.182 -11.433 2.593 412 1HB GLU 51 2HB GLU 51 0.055 -11.232 -0.351 413 2HB GLU 51 1HB GLU 51 0.751 -12.647 0.404 414 1HG GLU 51 2HG GLU 51 -1.528 -12.860 1.590 415 2HG GLU 51 1HG GLU 51 -2.100 -11.761 0.333 416 H GLU 52 H GLU 52 2.308 -9.836 0.599 417 HA GLU 52 HA GLU 52 4.471 -11.367 1.534 418 1HB GLU 52 2HB GLU 52 4.301 -8.561 0.444 419 2HB GLU 52 1HB GLU 52 5.831 -9.295 0.905 420 1HG GLU 52 2HG GLU 52 5.451 -11.091 -0.708 421 2HG GLU 52 1HG GLU 52 3.923 -10.350 -1.172 422 H LEU 53 H LEU 53 3.002 -8.394 2.779 423 HA LEU 53 HA LEU 53 4.806 -8.061 4.937 424 1HB LEU 53 2HB LEU 53 3.373 -6.256 4.109 425 2HB LEU 53 1HB LEU 53 1.947 -7.137 4.623 426 HG LEU 53 HG LEU 53 2.734 -6.951 6.973 427 1HD1 LEU 53 1HD1 LEU 53 4.807 -5.112 5.788 428 2HD1 LEU 53 2HD1 LEU 53 5.120 -6.680 6.531 429 3HD1 LEU 53 3HD1 LEU 53 4.495 -5.351 7.508 430 1HD2 LEU 53 1HD2 LEU 53 1.099 -5.390 6.058 431 2HD2 LEU 53 2HD2 LEU 53 2.406 -4.340 5.510 432 3HD2 LEU 53 3HD2 LEU 53 2.151 -4.603 7.235 433 H GLN 54 H GLN 54 1.848 -9.895 4.505 434 HA GLN 54 HA GLN 54 1.474 -10.523 7.265 435 1HB GLN 54 2HB GLN 54 -0.002 -10.830 4.915 436 2HB GLN 54 1HB GLN 54 0.334 -12.474 5.445 437 1HG GLN 54 2HG GLN 54 -1.771 -11.716 6.346 438 2HG GLN 54 1HG GLN 54 -0.600 -11.953 7.643 439 1HE2 GLN 54 1HE2 GLN 54 -0.590 -9.193 5.480 440 2HE2 GLN 54 2HE2 GLN 54 -1.036 -8.023 6.674 441 H LYS 55 H LYS 55 3.324 -11.857 4.669 442 HA LYS 55 HA LYS 55 3.957 -14.335 5.977 443 1HB LYS 55 2HB LYS 55 4.009 -14.010 3.509 444 2HB LYS 55 1HB LYS 55 5.383 -12.934 3.713 445 1HG LYS 55 2HG LYS 55 6.522 -14.921 4.859 446 2HG LYS 55 1HG LYS 55 5.237 -15.892 4.138 447 1HD LYS 55 2HD LYS 55 5.861 -15.129 1.925 448 2HD LYS 55 1HD LYS 55 7.091 -14.071 2.617 449 1HE LYS 55 2HE LYS 55 8.209 -16.090 3.555 450 2HE LYS 55 1HE LYS 55 7.039 -17.086 2.690 451 1HZ LYS 55 1HZ LYS 55 7.829 -16.086 0.609 452 2HZ LYS 55 2HZ LYS 55 9.062 -16.910 1.428 453 3HZ LYS 55 3HZ LYS 55 9.003 -15.214 1.472 454 H ASN 56 H ASN 56 4.757 -11.224 6.587 455 HA ASN 56 HA ASN 56 6.285 -10.134 7.850 456 1HB ASN 56 2HB ASN 56 6.233 -12.123 9.355 457 2HB ASN 56 1HB ASN 56 7.545 -12.829 8.415 458 1HD2 ASN 56 1HD2 ASN 56 8.985 -12.858 10.121 459 2HD2 ASN 56 2HD2 ASN 56 9.687 -11.417 10.772 460 HA PRO 57 HA PRO 57 8.969 -9.617 4.317 461 1HB PRO 57 2HB PRO 57 9.815 -7.250 5.885 462 2HB PRO 57 1HB PRO 57 9.209 -7.345 4.229 463 1HG PRO 57 2HG PRO 57 7.685 -6.380 6.193 464 2HG PRO 57 1HG PRO 57 6.994 -7.375 4.898 465 1HD PRO 57 2HD PRO 57 7.678 -8.130 7.713 466 2HD PRO 57 1HD PRO 57 6.279 -8.603 6.727 467 HA PRO 58 HA PRO 58 12.831 -11.193 5.884 468 1HB PRO 58 2HB PRO 58 14.348 -10.722 3.687 469 2HB PRO 58 1HB PRO 58 13.173 -12.038 3.777 470 1HG PRO 58 2HG PRO 58 12.894 -9.339 2.510 471 2HG PRO 58 1HG PRO 58 12.391 -10.924 1.892 472 1HD PRO 58 2HD PRO 58 10.652 -9.203 3.036 473 2HD PRO 58 1HD PRO 58 10.484 -10.964 3.183 474 H TYR 59 H TYR 59 15.226 -10.443 5.735 475 HA TYR 59 HA TYR 59 15.469 -8.045 7.167 476 1HB TYR 59 2HB TYR 59 17.123 -9.860 7.291 477 2HB TYR 59 1HB TYR 59 17.609 -9.534 5.629 478 HD1 TYR 59 HD1 TYR 59 19.209 -7.869 5.144 479 HD2 TYR 59 HD2 TYR 59 17.505 -8.066 9.036 480 HE1 TYR 59 HE1 TYR 59 20.841 -6.212 5.935 481 HE2 TYR 59 HE2 TYR 59 19.136 -6.410 9.841 482 HH TYR 59 HH TYR 59 20.919 -4.482 7.815 483 H GLU 60 H GLU 60 15.327 -6.029 6.510 484 HA GLU 60 HA GLU 60 15.093 -5.243 3.820 485 1HB GLU 60 2HB GLU 60 14.073 -3.999 5.661 486 2HB GLU 60 1HB GLU 60 15.663 -3.595 6.288 487 1HG GLU 60 2HG GLU 60 16.127 -2.325 4.237 488 2HG GLU 60 1HG GLU 60 14.498 -2.689 3.666 Start of MODEL 10 1 1H MET 1 1H MET 1 -8.399 -4.703 7.801 2 2H MET 1 2H MET 1 -8.799 -6.113 6.953 3 3H MET 1 3H MET 1 -9.456 -4.626 6.478 4 HA MET 1 HA MET 1 -6.594 -5.377 6.361 5 1HB MET 1 2HB MET 1 -8.118 -6.464 4.677 6 2HB MET 1 1HB MET 1 -8.552 -4.860 4.109 7 1HG MET 1 2HG MET 1 -5.711 -5.819 4.129 8 2HG MET 1 1HG MET 1 -6.804 -6.162 2.792 9 1HE MET 1 1HE MET 1 -5.225 -5.030 1.048 10 2HE MET 1 2HE MET 1 -4.047 -4.705 2.321 11 3HE MET 1 3HE MET 1 -4.549 -3.413 1.228 12 H ILE 2 H ILE 2 -5.288 -3.675 6.506 13 HA ILE 2 HA ILE 2 -6.473 -1.010 6.151 14 HB ILE 2 HB ILE 2 -3.937 -1.689 7.656 15 1HG1 ILE 2 2HG1 ILE 2 -5.510 -0.934 9.634 16 2HG1 ILE 2 1HG1 ILE 2 -6.787 -1.479 8.554 17 1HG2 ILE 2 1HG2 ILE 2 -4.179 0.583 8.563 18 2HG2 ILE 2 2HG2 ILE 2 -5.569 0.839 7.509 19 3HG2 ILE 2 3HG2 ILE 2 -3.971 0.576 6.812 20 1HD1 ILE 2 1HD1 ILE 2 -6.132 -3.211 10.135 21 2HD1 ILE 2 2HD1 ILE 2 -4.481 -3.152 9.517 22 3HD1 ILE 2 3HD1 ILE 2 -5.795 -3.694 8.473 23 H LEU 3 H LEU 3 -5.864 0.153 4.462 24 HA LEU 3 HA LEU 3 -3.999 -0.758 2.543 25 1HB LEU 3 2HB LEU 3 -5.950 1.272 2.796 26 2HB LEU 3 1HB LEU 3 -4.455 2.067 2.358 27 HG LEU 3 HG LEU 3 -5.734 1.575 0.375 28 1HD1 LEU 3 1HD1 LEU 3 -3.288 1.422 0.234 29 2HD1 LEU 3 2HD1 LEU 3 -4.089 0.339 -0.902 30 3HD1 LEU 3 3HD1 LEU 3 -3.385 -0.305 0.581 31 1HD2 LEU 3 1HD2 LEU 3 -5.626 -1.303 1.267 32 2HD2 LEU 3 2HD2 LEU 3 -6.247 -0.729 -0.280 33 3HD2 LEU 3 3HD2 LEU 3 -7.060 -0.278 1.219 34 H TYR 4 H TYR 4 -3.811 1.426 5.234 35 HA TYR 4 HA TYR 4 -1.532 2.887 4.716 36 1HB TYR 4 2HB TYR 4 -2.974 3.315 6.624 37 2HB TYR 4 1HB TYR 4 -2.525 1.777 7.346 38 HD1 TYR 4 HD1 TYR 4 -0.983 4.980 6.197 39 HD2 TYR 4 HD2 TYR 4 -0.862 1.736 8.947 40 HE1 TYR 4 HE1 TYR 4 0.813 6.109 7.441 41 HE2 TYR 4 HE2 TYR 4 0.940 2.852 10.190 42 HH TYR 4 HH TYR 4 1.812 6.129 9.621 43 H ASP 5 H ASP 5 -1.756 -0.301 6.283 44 HA ASP 5 HA ASP 5 0.972 -0.683 6.746 45 1HB ASP 5 2HB ASP 5 -1.334 -2.563 6.362 46 2HB ASP 5 1HB ASP 5 0.294 -3.177 6.592 47 H ALA 6 H ALA 6 -1.027 -1.669 3.991 48 HA ALA 6 HA ALA 6 0.982 -2.999 2.552 49 1HB ALA 6 1HB ALA 6 -0.506 -2.797 0.624 50 2HB ALA 6 2HB ALA 6 -1.481 -1.613 1.497 51 3HB ALA 6 3HB ALA 6 -1.391 -3.277 2.073 52 H ILE 7 H ILE 7 -0.122 0.367 2.462 53 HA ILE 7 HA ILE 7 1.502 1.209 0.318 54 HB ILE 7 HB ILE 7 0.468 2.857 2.632 55 1HG1 ILE 7 2HG1 ILE 7 -0.656 2.482 -0.143 56 2HG1 ILE 7 1HG1 ILE 7 -1.253 1.652 1.290 57 1HG2 ILE 7 1HG2 ILE 7 1.491 3.707 -0.078 58 2HG2 ILE 7 2HG2 ILE 7 2.286 3.995 1.471 59 3HG2 ILE 7 3HG2 ILE 7 0.741 4.769 1.112 60 1HD1 ILE 7 1HD1 ILE 7 -1.287 4.621 0.795 61 2HD1 ILE 7 2HD1 ILE 7 -1.834 3.828 2.273 62 3HD1 ILE 7 3HD1 ILE 7 -2.668 3.526 0.748 63 H MET 8 H MET 8 2.071 1.186 3.813 64 HA MET 8 HA MET 8 4.564 2.528 3.680 65 1HB MET 8 2HB MET 8 3.375 0.741 5.797 66 2HB MET 8 1HB MET 8 4.905 1.581 5.988 67 1HG MET 8 2HG MET 8 2.261 2.933 5.497 68 2HG MET 8 1HG MET 8 2.995 2.703 7.079 69 1HE MET 8 1HE MET 8 2.572 4.964 4.105 70 2HE MET 8 2HE MET 8 4.001 4.166 3.448 71 3HE MET 8 3HE MET 8 4.084 5.854 3.948 72 H TYR 9 H TYR 9 3.633 -0.754 3.145 73 HA TYR 9 HA TYR 9 6.315 -1.787 3.393 74 1HB TYR 9 2HB TYR 9 4.401 -3.249 3.852 75 2HB TYR 9 1HB TYR 9 3.822 -3.035 2.204 76 HD1 TYR 9 HD1 TYR 9 6.622 -4.422 4.209 77 HD2 TYR 9 HD2 TYR 9 4.607 -4.404 0.463 78 HE1 TYR 9 HE1 TYR 9 7.950 -6.365 3.491 79 HE2 TYR 9 HE2 TYR 9 5.932 -6.341 -0.265 80 HH TYR 9 HH TYR 9 7.998 -7.456 0.225 81 H LYS 10 H LYS 10 4.184 -0.692 0.820 82 HA LYS 10 HA LYS 10 5.969 -1.596 -1.258 83 1HB LYS 10 2HB LYS 10 3.463 -1.554 -1.469 84 2HB LYS 10 1HB LYS 10 3.561 0.201 -1.532 85 1HG LYS 10 2HG LYS 10 3.373 -0.742 -3.757 86 2HG LYS 10 1HG LYS 10 4.930 0.063 -3.540 87 1HD LYS 10 2HD LYS 10 5.989 -2.101 -3.124 88 2HD LYS 10 1HD LYS 10 4.433 -2.903 -3.337 89 1HE LYS 10 2HE LYS 10 4.330 -2.077 -5.644 90 2HE LYS 10 1HE LYS 10 5.900 -1.301 -5.429 91 1HZ LYS 10 1HZ LYS 10 5.401 -4.222 -5.185 92 2HZ LYS 10 2HZ LYS 10 6.903 -3.447 -5.081 93 3HZ LYS 10 3HZ LYS 10 6.057 -3.458 -6.553 94 H TYR 11 H TYR 11 4.863 1.559 -0.060 95 HA TYR 11 HA TYR 11 7.330 2.738 -1.128 96 1HB TYR 11 2HB TYR 11 4.512 3.683 -1.552 97 2HB TYR 11 1HB TYR 11 5.843 4.833 -1.554 98 HD1 TYR 11 HD1 TYR 11 4.104 2.255 -3.428 99 HD2 TYR 11 HD2 TYR 11 7.627 4.640 -3.273 100 HE1 TYR 11 HE1 TYR 11 4.542 1.754 -5.799 101 HE2 TYR 11 HE2 TYR 11 8.077 4.144 -5.638 102 HH TYR 11 HH TYR 11 5.777 2.733 -7.703 103 HA PRO 12 HA PRO 12 7.040 4.031 3.288 104 1HB PRO 12 2HB PRO 12 9.966 3.950 2.980 105 2HB PRO 12 1HB PRO 12 8.944 3.181 4.189 106 1HG PRO 12 2HG PRO 12 10.179 1.750 2.287 107 2HG PRO 12 1HG PRO 12 8.568 1.309 2.887 108 1HD PRO 12 2HD PRO 12 9.325 2.747 0.366 109 2HD PRO 12 1HD PRO 12 8.112 1.470 0.614 110 H ASN 13 H ASN 13 8.375 5.108 0.395 111 HA ASN 13 HA ASN 13 9.518 7.580 1.247 112 1HB ASN 13 2HB ASN 13 10.245 6.359 -0.780 113 2HB ASN 13 1HB ASN 13 8.681 6.685 -1.500 114 1HD2 ASN 13 1HD2 ASN 13 11.696 8.054 -0.473 115 2HD2 ASN 13 2HD2 ASN 13 11.560 9.530 -1.365 116 H ALA 14 H ALA 14 6.356 6.501 0.759 117 HA ALA 14 HA ALA 14 5.281 9.102 0.040 118 1HB ALA 14 1HB ALA 14 3.106 7.965 0.040 119 2HB ALA 14 2HB ALA 14 3.876 6.497 0.643 120 3HB ALA 14 3HB ALA 14 4.283 7.110 -0.959 121 H VAL 15 H VAL 15 4.217 10.470 1.394 122 HA VAL 15 HA VAL 15 4.467 9.852 4.254 123 HB VAL 15 HB VAL 15 3.929 12.521 2.936 124 1HG1 VAL 15 1HG1 VAL 15 4.685 11.863 5.781 125 2HG1 VAL 15 2HG1 VAL 15 3.086 12.370 5.234 126 3HG1 VAL 15 3HG1 VAL 15 4.454 13.478 5.111 127 1HG2 VAL 15 1HG2 VAL 15 6.142 11.685 2.354 128 2HG2 VAL 15 2HG2 VAL 15 6.491 11.389 4.057 129 3HG2 VAL 15 3HG2 VAL 15 6.271 13.040 3.476 130 H SER 16 H SER 16 2.768 9.516 5.495 131 HA SER 16 HA SER 16 0.188 9.133 4.453 132 1HB SER 16 2HB SER 16 0.941 9.537 7.353 133 2HB SER 16 1HB SER 16 -0.470 8.685 6.731 134 HG SER 16 HG SER 16 2.254 7.930 6.367 135 H ARG 17 H ARG 17 -1.561 10.375 4.306 136 HA ARG 17 HA ARG 17 -2.967 12.134 4.366 137 1HB ARG 17 2HB ARG 17 -1.254 12.934 6.704 138 2HB ARG 17 1HB ARG 17 -2.618 13.903 6.160 139 1HG ARG 17 2HG ARG 17 -4.130 12.052 6.572 140 2HG ARG 17 1HG ARG 17 -2.774 11.023 7.030 141 1HD ARG 17 2HD ARG 17 -3.545 13.567 8.455 142 2HD ARG 17 1HD ARG 17 -4.040 11.950 8.957 143 HE ARG 17 HE ARG 17 -1.220 12.107 8.684 144 1HH1 ARG 17 1HH1 ARG 17 -3.850 13.046 10.783 145 2HH1 ARG 17 2HH1 ARG 17 -2.878 13.034 12.223 146 1HH2 ARG 17 1HH2 ARG 17 0.081 12.106 10.551 147 2HH2 ARG 17 2HH2 ARG 17 -0.624 12.543 12.082 148 H LYS 18 H LYS 18 0.085 12.224 3.382 149 HA LYS 18 HA LYS 18 -0.167 14.950 2.310 150 1HB LYS 18 2HB LYS 18 1.925 14.701 3.455 151 2HB LYS 18 1HB LYS 18 2.251 13.170 2.655 152 1HG LYS 18 2HG LYS 18 2.404 14.381 0.497 153 2HG LYS 18 1HG LYS 18 2.199 15.897 1.375 154 1HD LYS 18 2HD LYS 18 4.240 15.545 2.581 155 2HD LYS 18 1HD LYS 18 4.409 13.921 1.915 156 1HE LYS 18 2HE LYS 18 4.428 16.464 0.297 157 2HE LYS 18 1HE LYS 18 5.869 15.591 0.814 158 1HZ LYS 18 1HZ LYS 18 5.105 13.671 -0.463 159 2HZ LYS 18 2HZ LYS 18 5.284 15.030 -1.453 160 3HZ LYS 18 3HZ LYS 18 3.742 14.529 -0.974 161 H ASP 19 H ASP 19 1.178 11.813 1.330 162 HA ASP 19 HA ASP 19 0.572 12.412 -1.452 163 1HB ASP 19 2HB ASP 19 2.005 10.057 -0.204 164 2HB ASP 19 1HB ASP 19 1.870 10.364 -1.933 165 H PHE 20 H PHE 20 -0.721 10.699 1.168 166 HA PHE 20 HA PHE 20 -2.961 9.860 -0.440 167 1HB PHE 20 2HB PHE 20 -2.918 7.519 0.380 168 2HB PHE 20 1HB PHE 20 -1.542 7.891 -0.648 169 HD1 PHE 20 HD1 PHE 20 -2.638 6.884 2.648 170 HD2 PHE 20 HD2 PHE 20 0.697 8.186 0.353 171 HE1 PHE 20 HE1 PHE 20 -1.121 6.071 4.403 172 HE2 PHE 20 HE2 PHE 20 2.222 7.371 2.103 173 HZ PHE 20 HZ PHE 20 1.312 6.314 4.131 174 H GLU 21 H GLU 21 -4.786 10.158 0.666 175 HA GLU 21 HA GLU 21 -4.560 10.506 3.586 176 1HB GLU 21 2HB GLU 21 -5.277 12.505 2.297 177 2HB GLU 21 1HB GLU 21 -6.671 11.608 1.722 178 1HG GLU 21 2HG GLU 21 -7.550 11.456 3.961 179 2HG GLU 21 1HG GLU 21 -6.099 12.221 4.613 180 H LEU 22 H LEU 22 -5.637 9.142 4.868 181 HA LEU 22 HA LEU 22 -6.943 6.917 3.521 182 1HB LEU 22 2HB LEU 22 -6.220 7.167 6.432 183 2HB LEU 22 1HB LEU 22 -6.668 5.705 5.582 184 HG LEU 22 HG LEU 22 -4.153 7.294 5.062 185 1HD1 LEU 22 1HD1 LEU 22 -4.103 6.260 7.255 186 2HD1 LEU 22 2HD1 LEU 22 -3.012 5.420 6.152 187 3HD1 LEU 22 3HD1 LEU 22 -4.576 4.711 6.557 188 1HD2 LEU 22 1HD2 LEU 22 -5.067 4.609 4.032 189 2HD2 LEU 22 2HD2 LEU 22 -3.481 5.331 3.758 190 3HD2 LEU 22 3HD2 LEU 22 -4.924 6.094 3.093 191 H ARG 23 H ARG 23 -8.903 6.075 4.115 192 HA ARG 23 HA ARG 23 -10.611 7.620 5.923 193 1HB ARG 23 2HB ARG 23 -10.977 8.298 3.480 194 2HB ARG 23 1HB ARG 23 -11.590 6.670 3.226 195 1HG ARG 23 2HG ARG 23 -13.466 8.072 3.564 196 2HG ARG 23 1HG ARG 23 -13.266 7.122 5.037 197 1HD ARG 23 2HD ARG 23 -13.717 9.360 5.701 198 2HD ARG 23 1HD ARG 23 -12.006 9.058 6.005 199 HE ARG 23 HE ARG 23 -12.644 10.294 3.450 200 1HH1 ARG 23 1HH1 ARG 23 -11.573 10.740 6.769 201 2HH1 ARG 23 2HH1 ARG 23 -10.997 12.354 6.493 202 1HH2 ARG 23 1HH2 ARG 23 -11.862 12.402 3.091 203 2HH2 ARG 23 2HH2 ARG 23 -11.146 13.299 4.406 204 H ASN 24 H ASN 24 -12.415 6.303 6.746 205 HA ASN 24 HA ASN 24 -11.635 3.511 6.872 206 1HB ASN 24 2HB ASN 24 -12.246 4.668 8.945 207 2HB ASN 24 1HB ASN 24 -13.855 4.982 8.300 208 1HD2 ASN 24 1HD2 ASN 24 -14.820 3.884 9.987 209 2HD2 ASN 24 2HD2 ASN 24 -14.800 2.160 10.095 210 H ASP 25 H ASP 25 -12.444 1.990 5.658 211 HA ASP 25 HA ASP 25 -14.778 2.490 3.985 212 1HB ASP 25 2HB ASP 25 -13.028 1.441 2.800 213 2HB ASP 25 1HB ASP 25 -12.681 0.334 4.125 214 H GLY 26 H GLY 26 -13.835 0.710 6.796 215 1HA GLY 26 2HA GLY 26 -15.643 -0.160 8.239 216 2HA GLY 26 1HA GLY 26 -16.403 -0.750 6.762 217 H ASN 27 H ASN 27 -14.286 -1.799 5.395 218 HA ASN 27 HA ASN 27 -13.634 -4.167 6.898 219 1HB ASN 27 2HB ASN 27 -14.095 -4.248 4.455 220 2HB ASN 27 1HB ASN 27 -12.652 -3.279 4.174 221 1HD2 ASN 27 1HD2 ASN 27 -13.904 -6.393 4.984 222 2HD2 ASN 27 2HD2 ASN 27 -12.413 -7.257 4.835 223 H GLY 28 H GLY 28 -12.288 -1.138 6.326 224 1HA GLY 28 2HA GLY 28 -10.319 -1.155 8.199 225 2HA GLY 28 1HA GLY 28 -9.532 -1.801 6.762 226 H SER 29 H SER 29 -8.273 0.288 7.284 227 HA SER 29 HA SER 29 -9.554 2.708 6.314 228 1HB SER 29 2HB SER 29 -6.621 2.423 6.940 229 2HB SER 29 1HB SER 29 -7.658 3.841 7.111 230 HG SER 29 HG SER 29 -8.529 3.013 8.939 231 H TYR 30 H TYR 30 -9.560 3.240 4.194 232 HA TYR 30 HA TYR 30 -7.456 2.066 2.490 233 1HB TYR 30 2HB TYR 30 -8.986 1.861 0.686 234 2HB TYR 30 1HB TYR 30 -9.800 1.195 2.091 235 HD1 TYR 30 HD1 TYR 30 -11.346 2.946 3.380 236 HD2 TYR 30 HD2 TYR 30 -10.143 3.289 -0.682 237 HE1 TYR 30 HE1 TYR 30 -13.276 4.404 2.938 238 HE2 TYR 30 HE2 TYR 30 -12.063 4.754 -1.136 239 HH TYR 30 HH TYR 30 -14.274 5.216 -0.224 240 H ILE 31 H ILE 31 -7.616 3.449 0.230 241 HA ILE 31 HA ILE 31 -6.708 6.088 1.086 242 HB ILE 31 HB ILE 31 -6.582 4.924 -1.699 243 1HG1 ILE 31 2HG1 ILE 31 -4.457 4.823 0.452 244 2HG1 ILE 31 1HG1 ILE 31 -5.435 3.449 -0.057 245 1HG2 ILE 31 1HG2 ILE 31 -6.280 7.336 -1.558 246 2HG2 ILE 31 2HG2 ILE 31 -4.762 6.545 -1.982 247 3HG2 ILE 31 3HG2 ILE 31 -5.023 7.122 -0.336 248 1HD1 ILE 31 1HD1 ILE 31 -3.525 4.986 -1.808 249 2HD1 ILE 31 2HD1 ILE 31 -4.474 3.577 -2.286 250 3HD1 ILE 31 3HD1 ILE 31 -3.213 3.419 -1.064 251 H GLU 32 H GLU 32 -8.050 7.789 0.980 252 HA GLU 32 HA GLU 32 -10.240 7.742 -0.976 253 1HB GLU 32 2HB GLU 32 -10.795 8.330 1.375 254 2HB GLU 32 1HB GLU 32 -9.716 9.715 1.264 255 1HG GLU 32 2HG GLU 32 -11.105 10.643 -0.530 256 2HG GLU 32 1HG GLU 32 -12.191 9.264 -0.388 257 H LYS 33 H LYS 33 -7.697 9.936 0.196 258 HA LYS 33 HA LYS 33 -7.789 11.389 -2.329 259 1HB LYS 33 2HB LYS 33 -7.628 12.549 -0.065 260 2HB LYS 33 1HB LYS 33 -5.985 11.929 0.030 261 1HG LYS 33 2HG LYS 33 -5.724 14.077 -0.772 262 2HG LYS 33 1HG LYS 33 -5.631 13.082 -2.218 263 1HD LYS 33 2HD LYS 33 -7.011 15.069 -2.550 264 2HD LYS 33 1HD LYS 33 -7.927 13.579 -2.741 265 1HE LYS 33 2HE LYS 33 -9.107 15.332 -1.447 266 2HE LYS 33 1HE LYS 33 -8.905 13.817 -0.575 267 1HZ LYS 33 1HZ LYS 33 -6.909 14.856 0.478 268 2HZ LYS 33 2HZ LYS 33 -8.383 15.561 0.910 269 3HZ LYS 33 3HZ LYS 33 -7.371 16.334 -0.210 270 H TRP 34 H TRP 34 -6.750 10.166 -3.863 271 HA TRP 34 HA TRP 34 -4.044 9.253 -3.318 272 1HB TRP 34 2HB TRP 34 -5.584 8.003 -4.866 273 2HB TRP 34 1HB TRP 34 -5.537 9.384 -5.955 274 HD1 TRP 34 HD1 TRP 34 -3.897 9.070 -7.873 275 HE1 TRP 34 HE1 TRP 34 -1.722 7.751 -8.272 276 HE3 TRP 34 HE3 TRP 34 -3.316 7.062 -3.208 277 HZ2 TRP 34 HZ2 TRP 34 0.016 6.090 -6.791 278 HZ3 TRP 34 HZ3 TRP 34 -1.367 5.623 -2.779 279 HH2 TRP 34 HH2 TRP 34 0.266 5.147 -4.534 280 H ASN 35 H ASN 35 -2.511 10.769 -3.204 281 HA ASN 35 HA ASN 35 -3.027 13.301 -4.600 282 1HB ASN 35 2HB ASN 35 -2.734 12.973 -1.963 283 2HB ASN 35 1HB ASN 35 -1.040 13.141 -2.392 284 1HD2 ASN 35 1HD2 ASN 35 -0.269 15.075 -2.892 285 2HD2 ASN 35 2HD2 ASN 35 -1.184 16.538 -2.867 286 H LEU 36 H LEU 36 -1.227 10.597 -4.806 287 HA LEU 36 HA LEU 36 1.173 11.830 -5.869 288 1HB LEU 36 2HB LEU 36 0.254 8.970 -5.618 289 2HB LEU 36 1HB LEU 36 1.714 9.416 -6.474 290 HG LEU 36 HG LEU 36 1.202 9.997 -3.565 291 1HD1 LEU 36 1HD1 LEU 36 2.819 8.221 -3.122 292 2HD1 LEU 36 2HD1 LEU 36 2.909 7.872 -4.848 293 3HD1 LEU 36 3HD1 LEU 36 1.403 7.597 -3.972 294 1HD2 LEU 36 1HD2 LEU 36 3.594 10.530 -3.522 295 2HD2 LEU 36 2HD2 LEU 36 2.710 11.592 -4.620 296 3HD2 LEU 36 3HD2 LEU 36 3.677 10.264 -5.265 297 H ARG 37 H ARG 37 1.777 11.751 -8.034 298 HA ARG 37 HA ARG 37 -0.472 11.647 -9.887 299 1HB ARG 37 2HB ARG 37 2.369 12.633 -10.231 300 2HB ARG 37 1HB ARG 37 1.104 12.753 -11.450 301 1HG ARG 37 2HG ARG 37 -0.148 14.275 -10.144 302 2HG ARG 37 1HG ARG 37 0.836 13.960 -8.714 303 1HD ARG 37 2HD ARG 37 1.416 16.097 -9.700 304 2HD ARG 37 1HD ARG 37 2.765 14.970 -9.815 305 HE ARG 37 HE ARG 37 1.138 14.958 -12.166 306 1HH1 ARG 37 1HH1 ARG 37 3.682 16.676 -10.477 307 2HH1 ARG 37 2HH1 ARG 37 4.333 17.398 -11.921 308 1HH2 ARG 37 1HH2 ARG 37 2.012 15.853 -14.075 309 2HH2 ARG 37 2HH2 ARG 37 3.390 16.916 -13.980 310 H ALA 38 H ALA 38 0.392 9.262 -8.828 311 HA ALA 38 HA ALA 38 1.798 7.930 -11.043 312 1HB ALA 38 1HB ALA 38 2.995 7.786 -8.914 313 2HB ALA 38 2HB ALA 38 2.412 6.196 -9.407 314 3HB ALA 38 3HB ALA 38 1.567 7.095 -8.147 315 HA PRO 39 HA PRO 39 -1.793 5.484 -11.936 316 1HB PRO 39 2HB PRO 39 -0.767 2.953 -12.156 317 2HB PRO 39 1HB PRO 39 -0.620 4.190 -13.408 318 1HG PRO 39 2HG PRO 39 1.362 3.351 -11.329 319 2HG PRO 39 1HG PRO 39 1.627 3.724 -13.043 320 1HD PRO 39 2HD PRO 39 2.212 5.494 -11.108 321 2HD PRO 39 1HD PRO 39 1.576 6.007 -12.684 322 H LEU 40 H LEU 40 -3.349 4.186 -10.985 323 HA LEU 40 HA LEU 40 -3.029 3.711 -8.164 324 1HB LEU 40 2HB LEU 40 -5.277 3.632 -10.118 325 2HB LEU 40 1HB LEU 40 -5.446 2.726 -8.634 326 HG LEU 40 HG LEU 40 -6.515 4.877 -8.411 327 1HD1 LEU 40 1HD1 LEU 40 -5.512 3.985 -6.414 328 2HD1 LEU 40 2HD1 LEU 40 -5.318 5.738 -6.432 329 3HD1 LEU 40 3HD1 LEU 40 -3.954 4.696 -6.837 330 1HD2 LEU 40 1HD2 LEU 40 -3.825 6.060 -9.065 331 2HD2 LEU 40 2HD2 LEU 40 -5.237 6.964 -8.517 332 3HD2 LEU 40 3HD2 LEU 40 -5.272 6.127 -10.070 333 HA PRO 41 HA PRO 41 -2.053 -0.652 -8.595 334 1HB PRO 41 2HB PRO 41 -2.508 -1.309 -5.996 335 2HB PRO 41 1HB PRO 41 -1.023 -0.521 -6.544 336 1HG PRO 41 2HG PRO 41 -3.449 0.688 -5.266 337 2HG PRO 41 1HG PRO 41 -1.736 1.014 -4.943 338 1HD PRO 41 2HD PRO 41 -3.238 2.650 -6.470 339 2HD PRO 41 1HD PRO 41 -1.515 2.371 -6.793 340 H THR 42 H THR 42 -3.212 -2.696 -8.205 341 HA THR 42 HA THR 42 -6.095 -2.277 -8.533 342 HB THR 42 HB THR 42 -6.168 -4.570 -9.373 343 HG1 THR 42 HG1 THR 42 -3.734 -5.340 -9.680 344 1HG2 THR 42 1HG2 THR 42 -3.901 -2.979 -10.583 345 2HG2 THR 42 2HG2 THR 42 -5.614 -2.808 -10.969 346 3HG2 THR 42 3HG2 THR 42 -4.764 -4.299 -11.373 347 H GLN 43 H GLN 43 -7.550 -3.943 -7.537 348 HA GLN 43 HA GLN 43 -7.335 -4.163 -4.764 349 1HB GLN 43 2HB GLN 43 -9.422 -4.498 -6.049 350 2HB GLN 43 1HB GLN 43 -8.781 -5.997 -6.686 351 1HG GLN 43 2HG GLN 43 -10.363 -6.403 -4.885 352 2HG GLN 43 1HG GLN 43 -8.748 -6.971 -4.475 353 1HE2 GLN 43 1HE2 GLN 43 -7.593 -5.946 -2.870 354 2HE2 GLN 43 2HE2 GLN 43 -8.330 -4.852 -1.747 355 H ALA 44 H ALA 44 -6.612 -6.473 -7.312 356 HA ALA 44 HA ALA 44 -5.653 -8.597 -5.808 357 1HB ALA 44 1HB ALA 44 -4.391 -9.244 -7.811 358 2HB ALA 44 2HB ALA 44 -4.685 -7.645 -8.497 359 3HB ALA 44 3HB ALA 44 -6.035 -8.737 -8.201 360 H GLU 45 H GLU 45 -3.811 -5.848 -7.151 361 HA GLU 45 HA GLU 45 -1.314 -6.550 -6.113 362 1HB GLU 45 2HB GLU 45 -2.525 -3.927 -6.909 363 2HB GLU 45 1HB GLU 45 -0.906 -3.999 -6.235 364 1HG GLU 45 2HG GLU 45 -0.336 -5.645 -8.027 365 2HG GLU 45 1HG GLU 45 -1.904 -5.292 -8.747 366 H LEU 46 H LEU 46 -3.844 -4.487 -4.696 367 HA LEU 46 HA LEU 46 -2.489 -3.703 -2.399 368 1HB LEU 46 2HB LEU 46 -5.433 -4.269 -2.758 369 2HB LEU 46 1HB LEU 46 -4.733 -3.369 -1.433 370 HG LEU 46 HG LEU 46 -4.704 -2.553 -4.334 371 1HD1 LEU 46 1HD1 LEU 46 -6.179 -0.746 -3.587 372 2HD1 LEU 46 2HD1 LEU 46 -6.194 -1.435 -1.963 373 3HD1 LEU 46 3HD1 LEU 46 -6.897 -2.333 -3.307 374 1HD2 LEU 46 1HD2 LEU 46 -2.681 -1.807 -3.233 375 2HD2 LEU 46 2HD2 LEU 46 -3.619 -1.157 -1.891 376 3HD2 LEU 46 3HD2 LEU 46 -3.760 -0.436 -3.494 377 H GLU 47 H GLU 47 -4.487 -6.578 -2.982 378 HA GLU 47 HA GLU 47 -4.172 -7.557 -0.320 379 1HB GLU 47 2HB GLU 47 -5.160 -8.935 -2.813 380 2HB GLU 47 1HB GLU 47 -5.250 -9.607 -1.187 381 1HG GLU 47 2HG GLU 47 -6.628 -7.706 -0.491 382 2HG GLU 47 1HG GLU 47 -6.563 -7.071 -2.131 383 H THR 48 H THR 48 -2.394 -7.848 -3.269 384 HA THR 48 HA THR 48 -0.836 -10.115 -2.503 385 HB THR 48 HB THR 48 -0.243 -7.957 -4.545 386 HG1 THR 48 HG1 THR 48 -2.078 -9.150 -5.095 387 1HG2 THR 48 1HG2 THR 48 1.360 -9.541 -5.498 388 2HG2 THR 48 2HG2 THR 48 1.034 -10.674 -4.186 389 3HG2 THR 48 3HG2 THR 48 1.802 -9.124 -3.842 390 H TRP 49 H TRP 49 -0.379 -6.603 -2.322 391 HA TRP 49 HA TRP 49 2.184 -6.698 -1.136 392 1HB TRP 49 2HB TRP 49 0.062 -4.548 -0.923 393 2HB TRP 49 1HB TRP 49 1.753 -4.358 -0.473 394 HD1 TRP 49 HD1 TRP 49 2.400 -6.201 -3.330 395 HE1 TRP 49 HE1 TRP 49 2.579 -4.799 -5.479 396 HE3 TRP 49 HE3 TRP 49 0.086 -1.941 -1.715 397 HZ2 TRP 49 HZ2 TRP 49 1.834 -2.225 -6.374 398 HZ3 TRP 49 HZ3 TRP 49 -0.133 -0.057 -3.278 399 HH2 TRP 49 HH2 TRP 49 0.725 -0.197 -5.556 400 H TRP 50 H TRP 50 -1.065 -6.865 0.125 401 HA TRP 50 HA TRP 50 -0.471 -6.727 2.874 402 1HB TRP 50 2HB TRP 50 -2.747 -6.556 1.828 403 2HB TRP 50 1HB TRP 50 -2.691 -8.285 1.527 404 HD1 TRP 50 HD1 TRP 50 -3.593 -9.807 3.394 405 HE1 TRP 50 HE1 TRP 50 -4.370 -9.450 5.823 406 HE3 TRP 50 HE3 TRP 50 -2.140 -4.943 4.002 407 HZ2 TRP 50 HZ2 TRP 50 -4.368 -7.380 7.740 408 HZ3 TRP 50 HZ3 TRP 50 -2.566 -3.847 6.165 409 HH2 TRP 50 HH2 TRP 50 -3.657 -5.041 7.994 410 H GLU 51 H GLU 51 -0.473 -9.358 0.551 411 HA GLU 51 HA GLU 51 0.126 -11.465 2.347 412 1HB GLU 51 2HB GLU 51 -0.185 -11.082 -0.486 413 2HB GLU 51 1HB GLU 51 1.203 -12.094 -0.140 414 1HG GLU 51 2HG GLU 51 -1.386 -12.621 1.171 415 2HG GLU 51 1HG GLU 51 -1.079 -13.179 -0.457 416 H GLU 52 H GLU 52 2.183 -9.543 0.163 417 HA GLU 52 HA GLU 52 4.611 -10.703 0.954 418 1HB GLU 52 2HB GLU 52 4.007 -7.987 -0.199 419 2HB GLU 52 1HB GLU 52 5.641 -8.590 0.056 420 1HG GLU 52 2HG GLU 52 5.139 -10.489 -1.421 421 2HG GLU 52 1HG GLU 52 3.545 -9.805 -1.718 422 H LEU 53 H LEU 53 2.730 -8.072 2.281 423 HA LEU 53 HA LEU 53 4.559 -7.058 4.135 424 1HB LEU 53 2HB LEU 53 2.534 -5.877 3.699 425 2HB LEU 53 1HB LEU 53 1.557 -7.249 4.179 426 HG LEU 53 HG LEU 53 2.384 -6.956 6.519 427 1HD1 LEU 53 1HD1 LEU 53 4.463 -5.776 6.014 428 2HD1 LEU 53 2HD1 LEU 53 3.451 -4.840 7.115 429 3HD1 LEU 53 3HD1 LEU 53 3.545 -4.397 5.410 430 1HD2 LEU 53 1HD2 LEU 53 0.974 -5.026 6.984 431 2HD2 LEU 53 2HD2 LEU 53 0.230 -6.079 5.780 432 3HD2 LEU 53 3HD2 LEU 53 1.007 -4.578 5.278 433 H GLN 54 H GLN 54 2.256 -9.753 4.407 434 HA GLN 54 HA GLN 54 2.965 -10.235 7.141 435 1HB GLN 54 2HB GLN 54 0.792 -10.889 5.727 436 2HB GLN 54 1HB GLN 54 1.699 -12.388 5.555 437 1HG GLN 54 2HG GLN 54 0.257 -12.580 7.450 438 2HG GLN 54 1HG GLN 54 1.925 -12.487 8.016 439 1HE2 GLN 54 1HE2 GLN 54 1.580 -11.635 9.997 440 2HE2 GLN 54 2HE2 GLN 54 0.888 -10.076 10.287 441 H LYS 55 H LYS 55 3.941 -11.477 4.019 442 HA LYS 55 HA LYS 55 5.593 -13.548 5.068 443 1HB LYS 55 2HB LYS 55 5.296 -12.259 2.400 444 2HB LYS 55 1HB LYS 55 6.676 -13.303 2.704 445 1HG LYS 55 2HG LYS 55 5.197 -15.148 3.240 446 2HG LYS 55 1HG LYS 55 3.791 -14.102 3.033 447 1HD LYS 55 2HD LYS 55 4.190 -13.875 0.712 448 2HD LYS 55 1HD LYS 55 5.790 -14.603 0.840 449 1HE LYS 55 2HE LYS 55 4.160 -16.155 -0.127 450 2HE LYS 55 1HE LYS 55 4.793 -16.744 1.408 451 1HZ LYS 55 1HZ LYS 55 2.399 -17.055 1.233 452 2HZ LYS 55 2HZ LYS 55 2.171 -15.388 1.032 453 3HZ LYS 55 3HZ LYS 55 2.776 -15.992 2.501 454 H ASN 56 H ASN 56 5.944 -10.224 4.923 455 HA ASN 56 HA ASN 56 8.673 -10.409 5.913 456 1HB ASN 56 2HB ASN 56 8.928 -10.091 3.472 457 2HB ASN 56 1HB ASN 56 7.953 -8.631 3.568 458 1HD2 ASN 56 1HD2 ASN 56 9.543 -7.291 2.823 459 2HD2 ASN 56 2HD2 ASN 56 10.954 -6.891 3.749 460 HA PRO 57 HA PRO 57 5.905 -7.491 8.162 461 1HB PRO 57 2HB PRO 57 6.716 -8.182 10.648 462 2HB PRO 57 1HB PRO 57 5.518 -9.119 9.745 463 1HG PRO 57 2HG PRO 57 8.448 -9.622 10.099 464 2HG PRO 57 1HG PRO 57 7.098 -10.770 10.183 465 1HD PRO 57 2HD PRO 57 8.673 -10.504 7.987 466 2HD PRO 57 1HD PRO 57 6.962 -10.966 7.889 467 HA PRO 58 HA PRO 58 8.647 -4.076 8.972 468 1HB PRO 58 2HB PRO 58 7.269 -3.816 11.599 469 2HB PRO 58 1HB PRO 58 7.525 -2.607 10.338 470 1HG PRO 58 2HG PRO 58 5.131 -3.725 10.691 471 2HG PRO 58 1HG PRO 58 5.740 -3.355 9.068 472 1HD PRO 58 2HD PRO 58 5.546 -5.983 10.469 473 2HD PRO 58 1HD PRO 58 5.327 -5.599 8.749 474 H TYR 59 H TYR 59 10.494 -3.557 10.168 475 HA TYR 59 HA TYR 59 11.808 -5.830 11.202 476 1HB TYR 59 2HB TYR 59 12.817 -3.773 10.017 477 2HB TYR 59 1HB TYR 59 12.803 -3.023 11.612 478 HD1 TYR 59 HD1 TYR 59 14.261 -3.855 13.389 479 HD2 TYR 59 HD2 TYR 59 14.316 -5.593 9.511 480 HE1 TYR 59 HE1 TYR 59 16.367 -4.995 13.938 481 HE2 TYR 59 HE2 TYR 59 16.422 -6.740 10.048 482 HH TYR 59 HH TYR 59 17.566 -7.131 13.128 483 H GLU 60 H GLU 60 11.868 -6.642 13.140 484 HA GLU 60 HA GLU 60 10.629 -5.280 15.369 485 1HB GLU 60 2HB GLU 60 11.149 -7.500 16.518 486 2HB GLU 60 1HB GLU 60 10.018 -7.552 15.172 487 1HG GLU 60 2HG GLU 60 11.638 -8.478 13.723 488 2HG GLU 60 1HG GLU 60 12.945 -8.138 14.855 Start of MODEL 11 1 1H MET 1 1H MET 1 -9.556 -4.723 6.846 2 2H MET 1 2H MET 1 -8.206 -4.769 7.865 3 3H MET 1 3H MET 1 -8.751 -6.191 7.124 4 HA MET 1 HA MET 1 -6.789 -5.391 6.018 5 1HB MET 1 2HB MET 1 -8.794 -6.434 4.783 6 2HB MET 1 1HB MET 1 -9.164 -4.806 4.241 7 1HG MET 1 2HG MET 1 -6.532 -6.170 3.733 8 2HG MET 1 1HG MET 1 -7.896 -6.224 2.620 9 1HE MET 1 1HE MET 1 -6.611 -5.243 0.594 10 2HE MET 1 2HE MET 1 -5.134 -5.288 1.559 11 3HE MET 1 3HE MET 1 -5.570 -3.822 0.681 12 H ILE 2 H ILE 2 -5.549 -3.628 6.128 13 HA ILE 2 HA ILE 2 -6.837 -0.995 5.841 14 HB ILE 2 HB ILE 2 -4.165 -1.552 7.154 15 1HG1 ILE 2 2HG1 ILE 2 -5.607 -0.848 9.256 16 2HG1 ILE 2 1HG1 ILE 2 -6.940 -1.475 8.291 17 1HG2 ILE 2 1HG2 ILE 2 -4.489 0.724 8.082 18 2HG2 ILE 2 2HG2 ILE 2 -5.921 0.892 7.064 19 3HG2 ILE 2 3HG2 ILE 2 -4.334 0.690 6.326 20 1HD1 ILE 2 1HD1 ILE 2 -6.102 -3.163 9.803 21 2HD1 ILE 2 2HD1 ILE 2 -4.480 -2.996 9.131 22 3HD1 ILE 2 3HD1 ILE 2 -5.789 -3.632 8.133 23 H LEU 3 H LEU 3 -6.305 0.244 4.145 24 HA LEU 3 HA LEU 3 -4.645 -0.697 2.081 25 1HB LEU 3 2HB LEU 3 -6.413 1.501 2.598 26 2HB LEU 3 1HB LEU 3 -4.962 2.080 1.817 27 HG LEU 3 HG LEU 3 -6.676 1.602 0.176 28 1HD1 LEU 3 1HD1 LEU 3 -5.422 0.058 -1.268 29 2HD1 LEU 3 2HD1 LEU 3 -4.423 -0.396 0.114 30 3HD1 LEU 3 3HD1 LEU 3 -4.379 1.257 -0.501 31 1HD2 LEU 3 1HD2 LEU 3 -7.907 -0.086 1.450 32 2HD2 LEU 3 2HD2 LEU 3 -6.583 -1.227 1.213 33 3HD2 LEU 3 3HD2 LEU 3 -7.515 -0.655 -0.170 34 H TYR 4 H TYR 4 -4.112 1.456 4.760 35 HA TYR 4 HA TYR 4 -1.833 2.823 4.033 36 1HB TYR 4 2HB TYR 4 -3.008 3.311 6.098 37 2HB TYR 4 1HB TYR 4 -2.595 1.729 6.748 38 HD1 TYR 4 HD1 TYR 4 -0.708 1.494 8.087 39 HD2 TYR 4 HD2 TYR 4 -1.001 4.872 5.514 40 HE1 TYR 4 HE1 TYR 4 1.325 2.436 9.102 41 HE2 TYR 4 HE2 TYR 4 1.031 5.819 6.522 42 HH TYR 4 HH TYR 4 3.107 4.035 8.550 43 H ASP 5 H ASP 5 -2.046 -0.409 5.483 44 HA ASP 5 HA ASP 5 0.693 -0.820 5.844 45 1HB ASP 5 2HB ASP 5 -1.583 -2.747 5.425 46 2HB ASP 5 1HB ASP 5 0.056 -3.270 5.778 47 H ALA 6 H ALA 6 -1.414 -1.801 3.178 48 HA ALA 6 HA ALA 6 0.552 -3.000 1.575 49 1HB ALA 6 1HB ALA 6 -1.992 -1.637 0.693 50 2HB ALA 6 2HB ALA 6 -1.854 -3.316 1.218 51 3HB ALA 6 3HB ALA 6 -1.042 -2.780 -0.254 52 H ILE 7 H ILE 7 -0.679 0.336 1.625 53 HA ILE 7 HA ILE 7 0.844 1.275 -0.562 54 HB ILE 7 HB ILE 7 -0.236 2.831 1.795 55 1HG1 ILE 7 2HG1 ILE 7 -1.361 2.456 -0.991 56 2HG1 ILE 7 1HG1 ILE 7 -1.939 1.620 0.452 57 1HG2 ILE 7 1HG2 ILE 7 -0.037 4.801 0.340 58 2HG2 ILE 7 2HG2 ILE 7 0.757 3.810 -0.884 59 3HG2 ILE 7 3HG2 ILE 7 1.533 4.071 0.678 60 1HD1 ILE 7 1HD1 ILE 7 -3.376 3.487 -0.120 61 2HD1 ILE 7 2HD1 ILE 7 -2.008 4.597 -0.022 62 3HD1 ILE 7 3HD1 ILE 7 -2.580 3.768 1.426 63 H MET 8 H MET 8 1.430 1.342 2.930 64 HA MET 8 HA MET 8 3.839 2.814 2.818 65 1HB MET 8 2HB MET 8 2.400 2.481 4.849 66 2HB MET 8 1HB MET 8 2.999 0.830 4.939 67 1HG MET 8 2HG MET 8 4.212 2.185 6.489 68 2HG MET 8 1HG MET 8 5.292 1.716 5.178 69 1HE MET 8 1HE MET 8 6.624 5.274 6.097 70 2HE MET 8 2HE MET 8 7.054 3.585 5.829 71 3HE MET 8 3HE MET 8 6.028 4.028 7.193 72 H TYR 9 H TYR 9 3.103 -0.575 2.468 73 HA TYR 9 HA TYR 9 5.738 -1.557 2.808 74 1HB TYR 9 2HB TYR 9 3.822 -3.044 2.989 75 2HB TYR 9 1HB TYR 9 3.385 -2.732 1.313 76 HD1 TYR 9 HD1 TYR 9 3.908 -4.399 -0.181 77 HD2 TYR 9 HD2 TYR 9 6.416 -3.851 3.210 78 HE1 TYR 9 HE1 TYR 9 5.297 -6.290 -0.911 79 HE2 TYR 9 HE2 TYR 9 7.804 -5.747 2.493 80 HH TYR 9 HH TYR 9 7.293 -7.345 -0.603 81 H LYS 10 H LYS 10 3.882 -0.611 -0.075 82 HA LYS 10 HA LYS 10 6.098 -1.264 -1.809 83 1HB LYS 10 2HB LYS 10 3.684 -1.472 -2.489 84 2HB LYS 10 1HB LYS 10 3.603 0.283 -2.514 85 1HG LYS 10 2HG LYS 10 3.929 -0.598 -4.747 86 2HG LYS 10 1HG LYS 10 5.333 0.343 -4.238 87 1HD LYS 10 2HD LYS 10 6.464 -1.770 -3.606 88 2HD LYS 10 1HD LYS 10 5.078 -2.663 -4.227 89 1HE LYS 10 2HE LYS 10 6.806 -0.804 -5.857 90 2HE LYS 10 1HE LYS 10 6.966 -2.559 -5.822 91 1HZ LYS 10 1HZ LYS 10 4.624 -2.664 -6.611 92 2HZ LYS 10 2HZ LYS 10 5.699 -1.985 -7.722 93 3HZ LYS 10 3HZ LYS 10 4.658 -0.983 -6.831 94 H TYR 11 H TYR 11 4.711 1.638 -0.386 95 HA TYR 11 HA TYR 11 6.961 3.168 -1.513 96 1HB TYR 11 2HB TYR 11 4.238 4.267 -0.799 97 2HB TYR 11 1HB TYR 11 5.554 5.139 -1.569 98 HD1 TYR 11 HD1 TYR 11 2.597 3.241 -2.081 99 HD2 TYR 11 HD2 TYR 11 6.299 4.289 -3.901 100 HE1 TYR 11 HE1 TYR 11 1.677 2.635 -4.279 101 HE2 TYR 11 HE2 TYR 11 5.388 3.691 -6.105 102 HH TYR 11 HH TYR 11 2.103 3.205 -6.671 103 HA PRO 12 HA PRO 12 7.534 3.194 3.062 104 1HB PRO 12 2HB PRO 12 10.321 3.696 2.241 105 2HB PRO 12 1HB PRO 12 9.672 2.453 3.310 106 1HG PRO 12 2HG PRO 12 10.587 1.855 0.865 107 2HG PRO 12 1HG PRO 12 9.191 1.016 1.571 108 1HD PRO 12 2HD PRO 12 9.249 3.219 -0.463 109 2HD PRO 12 1HD PRO 12 8.240 1.758 -0.413 110 H ASN 13 H ASN 13 8.403 5.377 0.527 111 HA ASN 13 HA ASN 13 8.818 7.552 2.448 112 1HB ASN 13 2HB ASN 13 9.761 7.020 -0.309 113 2HB ASN 13 1HB ASN 13 9.419 8.702 0.092 114 1HD2 ASN 13 1HD2 ASN 13 11.973 7.222 -0.413 115 2HD2 ASN 13 2HD2 ASN 13 12.954 7.582 0.969 116 H ALA 14 H ALA 14 6.205 6.328 1.569 117 HA ALA 14 HA ALA 14 4.905 8.663 0.406 118 1HB ALA 14 1HB ALA 14 3.726 6.035 1.310 119 2HB ALA 14 2HB ALA 14 4.199 6.432 -0.341 120 3HB ALA 14 3HB ALA 14 2.874 7.304 0.432 121 H VAL 15 H VAL 15 4.608 10.295 1.804 122 HA VAL 15 HA VAL 15 4.495 9.831 4.633 123 HB VAL 15 HB VAL 15 3.965 12.434 3.209 124 1HG1 VAL 15 1HG1 VAL 15 3.321 12.492 5.516 125 2HG1 VAL 15 2HG1 VAL 15 4.839 13.375 5.342 126 3HG1 VAL 15 3HG1 VAL 15 4.841 11.743 6.007 127 1HG2 VAL 15 1HG2 VAL 15 6.097 11.572 2.440 128 2HG2 VAL 15 2HG2 VAL 15 6.598 11.269 4.103 129 3HG2 VAL 15 3HG2 VAL 15 6.353 12.923 3.544 130 H SER 16 H SER 16 2.756 9.179 5.630 131 HA SER 16 HA SER 16 0.159 9.230 4.535 132 1HB SER 16 2HB SER 16 -0.437 8.550 6.970 133 2HB SER 16 1HB SER 16 0.577 7.471 6.015 134 HG SER 16 HG SER 16 1.698 7.649 7.846 135 H ARG 17 H ARG 17 -1.536 10.529 4.830 136 HA ARG 17 HA ARG 17 -2.855 12.238 5.462 137 1HB ARG 17 2HB ARG 17 -1.068 12.129 7.863 138 2HB ARG 17 1HB ARG 17 -2.234 13.436 7.686 139 1HG ARG 17 2HG ARG 17 -4.040 11.786 7.509 140 2HG ARG 17 1HG ARG 17 -2.864 10.489 7.723 141 1HD ARG 17 2HD ARG 17 -2.380 11.165 9.934 142 2HD ARG 17 1HD ARG 17 -3.215 12.702 9.725 143 HE ARG 17 HE ARG 17 -5.043 10.590 9.328 144 1HH1 ARG 17 1HH1 ARG 17 -3.151 12.023 11.899 145 2HH1 ARG 17 2HH1 ARG 17 -4.345 11.730 13.129 146 1HH2 ARG 17 1HH2 ARG 17 -6.621 10.198 10.941 147 2HH2 ARG 17 2HH2 ARG 17 -6.326 10.701 12.580 148 H LYS 18 H LYS 18 0.126 12.581 4.317 149 HA LYS 18 HA LYS 18 -0.216 15.487 4.081 150 1HB LYS 18 2HB LYS 18 2.264 13.796 4.148 151 2HB LYS 18 1HB LYS 18 2.272 15.367 3.368 152 1HG LYS 18 2HG LYS 18 1.391 16.295 5.572 153 2HG LYS 18 1HG LYS 18 1.820 14.727 6.264 154 1HD LYS 18 2HD LYS 18 4.126 15.025 5.579 155 2HD LYS 18 1HD LYS 18 3.721 16.546 4.786 156 1HE LYS 18 2HE LYS 18 4.686 17.139 6.851 157 2HE LYS 18 1HE LYS 18 2.953 17.366 7.053 158 1HZ LYS 18 1HZ LYS 18 4.085 16.244 8.937 159 2HZ LYS 18 2HZ LYS 18 4.402 14.928 7.926 160 3HZ LYS 18 3HZ LYS 18 2.800 15.356 8.290 161 H ASP 19 H ASP 19 1.110 12.668 2.348 162 HA ASP 19 HA ASP 19 0.475 13.932 -0.205 163 1HB ASP 19 2HB ASP 19 2.659 12.769 0.098 164 2HB ASP 19 1HB ASP 19 1.787 11.255 0.332 165 H PHE 20 H PHE 20 -0.213 10.886 1.499 166 HA PHE 20 HA PHE 20 -2.755 10.791 0.029 167 1HB PHE 20 2HB PHE 20 -2.712 8.394 0.052 168 2HB PHE 20 1HB PHE 20 -1.160 8.938 -0.570 169 HD1 PHE 20 HD1 PHE 20 -2.861 7.028 1.939 170 HD2 PHE 20 HD2 PHE 20 0.843 8.879 0.959 171 HE1 PHE 20 HE1 PHE 20 -1.726 5.639 3.623 172 HE2 PHE 20 HE2 PHE 20 1.983 7.495 2.641 173 HZ PHE 20 HZ PHE 20 0.700 5.873 3.975 174 H GLU 21 H GLU 21 -4.592 10.359 1.191 175 HA GLU 21 HA GLU 21 -4.297 10.220 4.109 176 1HB GLU 21 2HB GLU 21 -4.743 12.560 3.489 177 2HB GLU 21 1HB GLU 21 -6.176 12.059 2.606 178 1HG GLU 21 2HG GLU 21 -7.174 11.270 4.704 179 2HG GLU 21 1HG GLU 21 -5.746 11.826 5.574 180 H LEU 22 H LEU 22 -5.622 8.810 5.072 181 HA LEU 22 HA LEU 22 -7.488 7.371 3.321 182 1HB LEU 22 2HB LEU 22 -6.097 6.288 5.762 183 2HB LEU 22 1HB LEU 22 -7.021 5.385 4.580 184 HG LEU 22 HG LEU 22 -4.357 6.716 4.095 185 1HD1 LEU 22 1HD1 LEU 22 -5.135 3.813 4.283 186 2HD1 LEU 22 2HD1 LEU 22 -4.228 4.723 5.491 187 3HD1 LEU 22 3HD1 LEU 22 -3.530 4.436 3.898 188 1HD2 LEU 22 1HD2 LEU 22 -6.102 5.068 2.269 189 2HD2 LEU 22 2HD2 LEU 22 -4.444 5.560 1.922 190 3HD2 LEU 22 3HD2 LEU 22 -5.709 6.778 2.088 191 H ARG 23 H ARG 23 -9.409 6.592 4.212 192 HA ARG 23 HA ARG 23 -10.161 7.751 6.816 193 1HB ARG 23 2HB ARG 23 -11.272 8.539 4.471 194 2HB ARG 23 1HB ARG 23 -12.335 7.201 4.889 195 1HG ARG 23 2HG ARG 23 -13.257 9.251 5.742 196 2HG ARG 23 1HG ARG 23 -12.737 8.240 7.091 197 1HD ARG 23 2HD ARG 23 -12.062 10.514 7.524 198 2HD ARG 23 1HD ARG 23 -10.624 9.549 7.193 199 HE ARG 23 HE ARG 23 -11.607 10.788 4.826 200 1HH1 ARG 23 1HH1 ARG 23 -9.741 11.425 7.727 201 2HH1 ARG 23 2HH1 ARG 23 -8.877 12.758 7.028 202 1HH2 ARG 23 1HH2 ARG 23 -10.492 12.577 3.928 203 2HH2 ARG 23 2HH2 ARG 23 -9.303 13.413 4.892 204 H ASN 24 H ASN 24 -11.879 6.475 7.953 205 HA ASN 24 HA ASN 24 -11.121 3.660 7.639 206 1HB ASN 24 2HB ASN 24 -10.679 4.897 9.813 207 2HB ASN 24 1HB ASN 24 -12.421 4.902 10.064 208 1HD2 ASN 24 1HD2 ASN 24 -13.447 3.026 10.674 209 2HD2 ASN 24 2HD2 ASN 24 -12.581 1.591 11.100 210 H ASP 25 H ASP 25 -12.516 2.123 7.182 211 HA ASP 25 HA ASP 25 -15.293 2.835 6.658 212 1HB ASP 25 2HB ASP 25 -14.359 1.605 4.878 213 2HB ASP 25 1HB ASP 25 -13.542 0.484 5.964 214 H GLY 26 H GLY 26 -13.421 0.514 8.530 215 1HA GLY 26 2HA GLY 26 -14.547 0.094 10.812 216 2HA GLY 26 1HA GLY 26 -15.885 -0.451 9.804 217 H ASN 27 H ASN 27 -14.701 -1.798 7.808 218 HA ASN 27 HA ASN 27 -13.453 -4.080 9.156 219 1HB ASN 27 2HB ASN 27 -14.572 -3.700 6.375 220 2HB ASN 27 1HB ASN 27 -13.679 -5.139 6.845 221 1HD2 ASN 27 1HD2 ASN 27 -15.456 -6.460 6.484 222 2HD2 ASN 27 2HD2 ASN 27 -16.809 -6.490 7.565 223 H GLY 28 H GLY 28 -12.380 -1.302 8.105 224 1HA GLY 28 2HA GLY 28 -9.718 -1.788 8.076 225 2HA GLY 28 1HA GLY 28 -10.197 -2.076 6.408 226 H SER 29 H SER 29 -8.696 -0.265 6.042 227 HA SER 29 HA SER 29 -10.150 2.282 6.232 228 1HB SER 29 2HB SER 29 -7.151 1.967 6.543 229 2HB SER 29 1HB SER 29 -8.071 3.468 6.661 230 HG SER 29 HG SER 29 -9.235 1.981 8.379 231 H TYR 30 H TYR 30 -10.122 3.518 4.379 232 HA TYR 30 HA TYR 30 -8.843 2.231 2.056 233 1HB TYR 30 2HB TYR 30 -10.839 2.945 0.733 234 2HB TYR 30 1HB TYR 30 -11.214 1.768 1.983 235 HD1 TYR 30 HD1 TYR 30 -11.650 5.231 0.887 236 HD2 TYR 30 HD2 TYR 30 -12.525 2.399 3.934 237 HE1 TYR 30 HE1 TYR 30 -13.378 6.735 1.783 238 HE2 TYR 30 HE2 TYR 30 -14.255 3.892 4.838 239 HH TYR 30 HH TYR 30 -15.409 6.608 3.154 240 H ILE 31 H ILE 31 -8.972 3.842 0.090 241 HA ILE 31 HA ILE 31 -7.503 6.206 1.009 242 HB ILE 31 HB ILE 31 -7.746 5.169 -1.821 243 1HG1 ILE 31 2HG1 ILE 31 -5.565 4.569 0.193 244 2HG1 ILE 31 1HG1 ILE 31 -6.801 3.426 -0.319 245 1HG2 ILE 31 1HG2 ILE 31 -5.767 7.004 -0.476 246 2HG2 ILE 31 2HG2 ILE 31 -7.002 7.459 -1.649 247 3HG2 ILE 31 3HG2 ILE 31 -5.657 6.431 -2.140 248 1HD1 ILE 31 1HD1 ILE 31 -4.730 4.675 -2.102 249 2HD1 ILE 31 2HD1 ILE 31 -5.958 3.509 -2.596 250 3HD1 ILE 31 3HD1 ILE 31 -4.695 3.033 -1.459 251 H GLU 32 H GLU 32 -8.267 8.252 0.757 252 HA GLU 32 HA GLU 32 -10.212 8.684 -1.412 253 1HB GLU 32 2HB GLU 32 -11.243 10.506 -0.105 254 2HB GLU 32 1HB GLU 32 -11.436 8.931 0.648 255 1HG GLU 32 2HG GLU 32 -9.817 9.422 2.299 256 2HG GLU 32 1HG GLU 32 -9.288 10.872 1.446 257 H LYS 33 H LYS 33 -7.335 9.694 0.202 258 HA LYS 33 HA LYS 33 -6.998 11.866 -1.771 259 1HB LYS 33 2HB LYS 33 -5.861 11.569 1.013 260 2HB LYS 33 1HB LYS 33 -5.279 12.756 -0.140 261 1HG LYS 33 2HG LYS 33 -8.166 12.665 0.599 262 2HG LYS 33 1HG LYS 33 -6.995 13.449 1.651 263 1HD LYS 33 2HD LYS 33 -6.267 14.626 -0.563 264 2HD LYS 33 1HD LYS 33 -7.890 14.184 -1.081 265 1HE LYS 33 2HE LYS 33 -7.857 16.434 -0.124 266 2HE LYS 33 1HE LYS 33 -8.837 15.335 0.846 267 1HZ LYS 33 1HZ LYS 33 -7.317 16.827 2.131 268 2HZ LYS 33 2HZ LYS 33 -6.005 15.974 1.479 269 3HZ LYS 33 3HZ LYS 33 -7.129 15.171 2.465 270 H TRP 34 H TRP 34 -5.239 11.811 -3.082 271 HA TRP 34 HA TRP 34 -3.002 10.038 -2.561 272 1HB TRP 34 2HB TRP 34 -4.730 8.567 -3.586 273 2HB TRP 34 1HB TRP 34 -4.797 9.637 -4.976 274 HD1 TRP 34 HD1 TRP 34 -2.929 9.356 -6.827 275 HE1 TRP 34 HE1 TRP 34 -1.092 7.598 -7.222 276 HE3 TRP 34 HE3 TRP 34 -3.041 7.017 -2.270 277 HZ2 TRP 34 HZ2 TRP 34 0.141 5.494 -5.792 278 HZ3 TRP 34 HZ3 TRP 34 -1.500 5.140 -1.872 279 HH2 TRP 34 HH2 TRP 34 0.057 4.396 -3.598 280 H ASN 35 H ASN 35 -1.367 11.480 -2.938 281 HA ASN 35 HA ASN 35 -1.640 13.207 -5.303 282 1HB ASN 35 2HB ASN 35 -0.130 13.579 -2.736 283 2HB ASN 35 1HB ASN 35 0.257 14.524 -4.170 284 1HD2 ASN 35 1HD2 ASN 35 -2.039 13.942 -1.647 285 2HD2 ASN 35 2HD2 ASN 35 -3.025 15.341 -1.944 286 H LEU 36 H LEU 36 -0.049 10.513 -4.209 287 HA LEU 36 HA LEU 36 2.547 10.812 -5.143 288 1HB LEU 36 2HB LEU 36 0.813 8.368 -4.959 289 2HB LEU 36 1HB LEU 36 2.481 8.296 -5.474 290 HG LEU 36 HG LEU 36 1.540 9.296 -2.795 291 1HD1 LEU 36 1HD1 LEU 36 2.896 6.716 -3.551 292 2HD1 LEU 36 2HD1 LEU 36 1.221 6.894 -3.030 293 3HD1 LEU 36 3HD1 LEU 36 2.534 7.251 -1.910 294 1HD2 LEU 36 1HD2 LEU 36 4.317 8.831 -3.874 295 2HD2 LEU 36 2HD2 LEU 36 3.923 9.249 -2.207 296 3HD2 LEU 36 3HD2 LEU 36 3.588 10.394 -3.504 297 H ARG 37 H ARG 37 3.518 10.744 -7.037 298 HA ARG 37 HA ARG 37 1.896 10.941 -9.417 299 1HB ARG 37 2HB ARG 37 4.857 11.214 -8.905 300 2HB ARG 37 1HB ARG 37 4.160 11.308 -10.516 301 1HG ARG 37 2HG ARG 37 2.822 13.228 -9.835 302 2HG ARG 37 1HG ARG 37 3.497 13.127 -8.207 303 1HD ARG 37 2HD ARG 37 5.693 13.616 -9.018 304 2HD ARG 37 1HD ARG 37 5.157 13.494 -10.691 305 HE ARG 37 HE ARG 37 3.620 15.489 -9.621 306 1HH1 ARG 37 1HH1 ARG 37 7.055 14.887 -9.775 307 2HH1 ARG 37 2HH1 ARG 37 7.477 16.563 -9.971 308 1HH2 ARG 37 1HH2 ARG 37 4.151 17.705 -9.901 309 2HH2 ARG 37 2HH2 ARG 37 5.822 18.160 -10.075 310 H ALA 38 H ALA 38 1.456 8.536 -8.526 311 HA ALA 38 HA ALA 38 2.744 6.803 -10.489 312 1HB ALA 38 1HB ALA 38 2.467 6.089 -7.565 313 2HB ALA 38 2HB ALA 38 3.980 6.404 -8.410 314 3HB ALA 38 3HB ALA 38 3.010 4.997 -8.838 315 HA PRO 39 HA PRO 39 -1.451 5.681 -11.244 316 1HB PRO 39 2HB PRO 39 -1.087 3.097 -12.096 317 2HB PRO 39 1HB PRO 39 -0.805 4.523 -13.101 318 1HG PRO 39 2HG PRO 39 1.160 2.855 -11.581 319 2HG PRO 39 1HG PRO 39 1.297 3.549 -13.209 320 1HD PRO 39 2HD PRO 39 2.507 4.670 -11.084 321 2HD PRO 39 1HD PRO 39 1.831 5.651 -12.403 322 H LEU 40 H LEU 40 -3.157 4.630 -10.283 323 HA LEU 40 HA LEU 40 -2.817 3.667 -7.659 324 1HB LEU 40 2HB LEU 40 -5.111 3.814 -9.576 325 2HB LEU 40 1HB LEU 40 -5.285 2.914 -8.089 326 HG LEU 40 HG LEU 40 -6.203 5.105 -7.776 327 1HD1 LEU 40 1HD1 LEU 40 -4.851 5.915 -5.890 328 2HD1 LEU 40 2HD1 LEU 40 -3.542 4.841 -6.388 329 3HD1 LEU 40 3HD1 LEU 40 -5.083 4.167 -5.857 330 1HD2 LEU 40 1HD2 LEU 40 -5.023 6.286 -9.541 331 2HD2 LEU 40 2HD2 LEU 40 -3.519 6.182 -8.627 332 3HD2 LEU 40 3HD2 LEU 40 -4.863 7.138 -8.005 333 HA PRO 41 HA PRO 41 -1.910 -0.604 -8.511 334 1HB PRO 41 2HB PRO 41 -2.246 -1.544 -5.999 335 2HB PRO 41 1HB PRO 41 -0.836 -0.589 -6.473 336 1HG PRO 41 2HG PRO 41 -3.322 0.291 -5.053 337 2HG PRO 41 1HG PRO 41 -1.631 0.695 -4.700 338 1HD PRO 41 2HD PRO 41 -3.276 2.369 -6.044 339 2HD PRO 41 1HD PRO 41 -1.533 2.280 -6.364 340 H THR 42 H THR 42 -2.926 -2.738 -8.144 341 HA THR 42 HA THR 42 -5.839 -2.481 -8.429 342 HB THR 42 HB THR 42 -5.669 -4.844 -9.325 343 HG1 THR 42 HG1 THR 42 -2.880 -4.220 -9.434 344 1HG2 THR 42 1HG2 THR 42 -5.897 -2.937 -10.819 345 2HG2 THR 42 2HG2 THR 42 -4.803 -4.130 -11.520 346 3HG2 THR 42 3HG2 THR 42 -4.154 -2.669 -10.775 347 H GLN 43 H GLN 43 -7.119 -4.393 -7.563 348 HA GLN 43 HA GLN 43 -6.752 -4.558 -4.774 349 1HB GLN 43 2HB GLN 43 -8.778 -5.154 -6.570 350 2HB GLN 43 1HB GLN 43 -8.349 -6.721 -5.904 351 1HG GLN 43 2HG GLN 43 -9.238 -4.281 -4.387 352 2HG GLN 43 1HG GLN 43 -10.134 -5.778 -4.620 353 1HE2 GLN 43 1HE2 GLN 43 -9.530 -7.611 -3.459 354 2HE2 GLN 43 2HE2 GLN 43 -8.527 -7.517 -2.056 355 H ALA 44 H ALA 44 -6.012 -6.735 -7.439 356 HA ALA 44 HA ALA 44 -5.106 -8.952 -5.987 357 1HB ALA 44 1HB ALA 44 -3.872 -9.560 -8.009 358 2HB ALA 44 2HB ALA 44 -4.116 -7.935 -8.653 359 3HB ALA 44 3HB ALA 44 -5.497 -9.003 -8.402 360 H GLU 45 H GLU 45 -3.373 -6.102 -7.170 361 HA GLU 45 HA GLU 45 -0.827 -6.766 -6.190 362 1HB GLU 45 2HB GLU 45 -2.165 -4.162 -6.875 363 2HB GLU 45 1HB GLU 45 -0.514 -4.209 -6.289 364 1HG GLU 45 2HG GLU 45 0.135 -5.614 -8.156 365 2HG GLU 45 1HG GLU 45 -1.533 -5.642 -8.727 366 H LEU 46 H LEU 46 -3.476 -4.907 -4.730 367 HA LEU 46 HA LEU 46 -2.189 -4.198 -2.355 368 1HB LEU 46 2HB LEU 46 -5.107 -4.785 -2.862 369 2HB LEU 46 1HB LEU 46 -4.477 -3.984 -1.441 370 HG LEU 46 HG LEU 46 -4.297 -2.928 -4.260 371 1HD1 LEU 46 1HD1 LEU 46 -6.579 -2.879 -3.374 372 2HD1 LEU 46 2HD1 LEU 46 -5.908 -1.256 -3.528 373 3HD1 LEU 46 3HD1 LEU 46 -6.003 -2.023 -1.943 374 1HD2 LEU 46 1HD2 LEU 46 -3.471 -0.880 -3.220 375 2HD2 LEU 46 2HD2 LEU 46 -2.401 -2.240 -2.884 376 3HD2 LEU 46 3HD2 LEU 46 -3.507 -1.662 -1.639 377 H GLU 47 H GLU 47 -4.135 -7.067 -3.161 378 HA GLU 47 HA GLU 47 -4.023 -8.300 -0.649 379 1HB GLU 47 2HB GLU 47 -4.186 -9.534 -3.396 380 2HB GLU 47 1HB GLU 47 -4.409 -10.424 -1.899 381 1HG GLU 47 2HG GLU 47 -6.307 -8.974 -1.347 382 2HG GLU 47 1HG GLU 47 -6.107 -8.162 -2.898 383 H THR 48 H THR 48 -1.795 -8.373 -3.367 384 HA THR 48 HA THR 48 -0.155 -10.464 -2.414 385 HB THR 48 HB THR 48 0.805 -8.218 -4.189 386 HG1 THR 48 HG1 THR 48 -1.288 -9.351 -4.826 387 1HG2 THR 48 1HG2 THR 48 2.240 -9.968 -5.134 388 2HG2 THR 48 2HG2 THR 48 1.541 -11.150 -4.028 389 3HG2 THR 48 3HG2 THR 48 2.503 -9.812 -3.397 390 H TRP 49 H TRP 49 0.156 -6.913 -2.193 391 HA TRP 49 HA TRP 49 2.584 -6.928 -0.770 392 1HB TRP 49 2HB TRP 49 0.380 -4.867 -0.882 393 2HB TRP 49 1HB TRP 49 1.928 -4.598 -0.085 394 HD1 TRP 49 HD1 TRP 49 3.833 -5.887 -2.289 395 HE1 TRP 49 HE1 TRP 49 4.174 -4.671 -4.536 396 HE3 TRP 49 HE3 TRP 49 -0.371 -2.971 -2.269 397 HZ2 TRP 49 HZ2 TRP 49 2.834 -2.730 -6.083 398 HZ3 TRP 49 HZ3 TRP 49 -0.758 -1.454 -4.165 399 HH2 TRP 49 HH2 TRP 49 0.813 -1.337 -6.030 400 H TRP 50 H TRP 50 -0.763 -7.116 0.308 401 HA TRP 50 HA TRP 50 -0.305 -6.820 3.062 402 1HB TRP 50 2HB TRP 50 -2.555 -6.796 2.019 403 2HB TRP 50 1HB TRP 50 -2.410 -8.521 1.695 404 HD1 TRP 50 HD1 TRP 50 -2.803 -10.186 3.724 405 HE1 TRP 50 HE1 TRP 50 -3.762 -9.869 6.097 406 HE3 TRP 50 HE3 TRP 50 -2.664 -5.081 3.974 407 HZ2 TRP 50 HZ2 TRP 50 -4.385 -7.727 7.833 408 HZ3 TRP 50 HZ3 TRP 50 -3.461 -3.979 6.024 409 HH2 TRP 50 HH2 TRP 50 -4.302 -5.277 7.911 410 H GLU 51 H GLU 51 -0.569 -9.799 1.108 411 HA GLU 51 HA GLU 51 0.097 -11.625 3.061 412 1HB GLU 51 2HB GLU 51 -0.749 -11.815 0.560 413 2HB GLU 51 1HB GLU 51 0.970 -12.029 0.245 414 1HG GLU 51 2HG GLU 51 0.818 -13.719 2.172 415 2HG GLU 51 1HG GLU 51 -0.895 -13.731 1.797 416 H GLU 52 H GLU 52 2.158 -9.862 0.779 417 HA GLU 52 HA GLU 52 4.585 -11.065 1.435 418 1HB GLU 52 2HB GLU 52 3.959 -8.290 0.446 419 2HB GLU 52 1HB GLU 52 5.604 -8.878 0.658 420 1HG GLU 52 2HG GLU 52 5.085 -10.730 -0.906 421 2HG GLU 52 1HG GLU 52 3.509 -9.992 -1.186 422 H LEU 53 H LEU 53 3.013 -8.202 2.816 423 HA LEU 53 HA LEU 53 5.059 -7.496 4.602 424 1HB LEU 53 2HB LEU 53 3.220 -6.007 3.960 425 2HB LEU 53 1HB LEU 53 2.082 -7.037 4.805 426 HG LEU 53 HG LEU 53 3.267 -6.513 6.932 427 1HD1 LEU 53 1HD1 LEU 53 4.793 -4.606 6.983 428 2HD1 LEU 53 2HD1 LEU 53 4.731 -4.508 5.224 429 3HD1 LEU 53 3HD1 LEU 53 5.438 -5.922 6.005 430 1HD2 LEU 53 1HD2 LEU 53 2.350 -4.253 7.145 431 2HD2 LEU 53 2HD2 LEU 53 1.238 -5.325 6.295 432 3HD2 LEU 53 3HD2 LEU 53 2.196 -4.152 5.391 433 H GLN 54 H GLN 54 2.472 -9.840 4.834 434 HA GLN 54 HA GLN 54 2.764 -10.236 7.654 435 1HB GLN 54 2HB GLN 54 1.295 -11.836 5.564 436 2HB GLN 54 1HB GLN 54 1.171 -12.078 7.293 437 1HG GLN 54 2HG GLN 54 0.368 -9.591 5.806 438 2HG GLN 54 1HG GLN 54 -0.727 -10.824 6.426 439 1HE2 GLN 54 1HE2 GLN 54 1.405 -8.207 7.246 440 2HE2 GLN 54 2HE2 GLN 54 0.851 -7.999 8.869 441 H LYS 55 H LYS 55 3.843 -11.873 4.714 442 HA LYS 55 HA LYS 55 4.917 -14.101 6.204 443 1HB LYS 55 2HB LYS 55 4.867 -13.388 3.303 444 2HB LYS 55 1HB LYS 55 5.810 -14.745 3.894 445 1HG LYS 55 2HG LYS 55 3.792 -15.770 4.789 446 2HG LYS 55 1HG LYS 55 2.842 -14.392 4.229 447 1HD LYS 55 2HD LYS 55 3.390 -14.893 1.940 448 2HD LYS 55 1HD LYS 55 4.468 -16.193 2.444 449 1HE LYS 55 2HE LYS 55 2.595 -17.436 3.352 450 2HE LYS 55 1HE LYS 55 1.496 -16.114 2.953 451 1HZ LYS 55 1HZ LYS 55 1.473 -17.961 1.323 452 2HZ LYS 55 2HZ LYS 55 3.091 -17.617 0.947 453 3HZ LYS 55 3HZ LYS 55 1.886 -16.463 0.636 454 H ASN 56 H ASN 56 6.068 -11.101 5.224 455 HA ASN 56 HA ASN 56 8.864 -11.952 5.264 456 1HB ASN 56 2HB ASN 56 7.490 -9.418 4.420 457 2HB ASN 56 1HB ASN 56 9.216 -9.421 4.760 458 1HD2 ASN 56 1HD2 ASN 56 9.742 -8.931 2.654 459 2HD2 ASN 56 2HD2 ASN 56 9.616 -10.087 1.369 460 HA PRO 57 HA PRO 57 9.721 -10.550 9.391 461 1HB PRO 57 2HB PRO 57 12.118 -9.239 8.958 462 2HB PRO 57 1HB PRO 57 11.955 -10.982 9.193 463 1HG PRO 57 2HG PRO 57 12.231 -9.426 6.658 464 2HG PRO 57 1HG PRO 57 12.945 -10.988 7.101 465 1HD PRO 57 2HD PRO 57 10.817 -10.819 5.470 466 2HD PRO 57 1HD PRO 57 10.999 -12.152 6.631 467 HA PRO 58 HA PRO 58 7.854 -6.529 9.103 468 1HB PRO 58 2HB PRO 58 7.867 -5.985 11.792 469 2HB PRO 58 1HB PRO 58 6.663 -7.001 10.990 470 1HG PRO 58 2HG PRO 58 9.098 -7.805 12.527 471 2HG PRO 58 1HG PRO 58 7.476 -8.518 12.544 472 1HD PRO 58 2HD PRO 58 9.501 -9.637 11.174 473 2HD PRO 58 1HD PRO 58 7.828 -9.688 10.582 474 H TYR 59 H TYR 59 8.271 -4.310 9.899 475 HA TYR 59 HA TYR 59 10.828 -3.457 9.182 476 1HB TYR 59 2HB TYR 59 8.724 -2.098 9.106 477 2HB TYR 59 1HB TYR 59 8.811 -1.941 10.855 478 HD1 TYR 59 HD1 TYR 59 10.272 -0.916 7.662 479 HD2 TYR 59 HD2 TYR 59 10.453 -0.468 11.890 480 HE1 TYR 59 HE1 TYR 59 11.663 1.090 7.384 481 HE2 TYR 59 HE2 TYR 59 11.848 1.541 11.621 482 HH TYR 59 HH TYR 59 12.216 3.150 8.681 483 H GLU 60 H GLU 60 12.659 -3.672 10.255 484 HA GLU 60 HA GLU 60 12.736 -4.331 13.035 485 1HB GLU 60 2HB GLU 60 14.370 -5.223 11.436 486 2HB GLU 60 1HB GLU 60 14.971 -3.598 11.134 487 1HG GLU 60 2HG GLU 60 15.769 -3.432 13.407 488 2HG GLU 60 1HG GLU 60 15.065 -5.002 13.794 Start of MODEL 12 1 1H MET 1 1H MET 1 -10.229 -4.035 5.720 2 2H MET 1 2H MET 1 -9.585 -4.777 7.095 3 3H MET 1 3H MET 1 -10.099 -5.717 5.779 4 HA MET 1 HA MET 1 -7.681 -5.522 5.875 5 1HB MET 1 2HB MET 1 -8.790 -5.855 3.707 6 2HB MET 1 1HB MET 1 -9.000 -4.118 3.539 7 1HG MET 1 2HG MET 1 -6.574 -3.831 3.465 8 2HG MET 1 1HG MET 1 -6.366 -5.575 3.621 9 1HE MET 1 1HE MET 1 -5.008 -3.889 1.330 10 2HE MET 1 2HE MET 1 -5.304 -4.906 -0.080 11 3HE MET 1 3HE MET 1 -4.841 -5.636 1.460 12 H ILE 2 H ILE 2 -5.887 -4.268 6.185 13 HA ILE 2 HA ILE 2 -6.381 -1.397 6.618 14 HB ILE 2 HB ILE 2 -4.036 -3.000 7.624 15 1HG1 ILE 2 2HG1 ILE 2 -5.281 -2.467 9.897 16 2HG1 ILE 2 1HG1 ILE 2 -6.702 -2.444 8.861 17 1HG2 ILE 2 1HG2 ILE 2 -5.001 -0.224 8.280 18 2HG2 ILE 2 2HG2 ILE 2 -3.536 -0.656 7.396 19 3HG2 ILE 2 3HG2 ILE 2 -3.686 -1.063 9.106 20 1HD1 ILE 2 1HD1 ILE 2 -6.268 -4.720 8.168 21 2HD1 ILE 2 2HD1 ILE 2 -6.356 -4.616 9.927 22 3HD1 ILE 2 3HD1 ILE 2 -4.790 -4.749 9.129 23 H LEU 3 H LEU 3 -5.908 -0.321 4.832 24 HA LEU 3 HA LEU 3 -3.988 -1.108 2.906 25 1HB LEU 3 2HB LEU 3 -5.889 1.073 3.355 26 2HB LEU 3 1HB LEU 3 -4.463 1.539 2.469 27 HG LEU 3 HG LEU 3 -6.225 0.963 0.928 28 1HD1 LEU 3 1HD1 LEU 3 -5.119 -0.796 -0.370 29 2HD1 LEU 3 2HD1 LEU 3 -4.099 -1.164 1.021 30 3HD1 LEU 3 3HD1 LEU 3 -3.980 0.408 0.230 31 1HD2 LEU 3 1HD2 LEU 3 -7.181 -1.275 0.836 32 2HD2 LEU 3 2HD2 LEU 3 -7.521 -0.497 2.383 33 3HD2 LEU 3 3HD2 LEU 3 -6.264 -1.732 2.273 34 H TYR 4 H TYR 4 -3.983 0.994 5.671 35 HA TYR 4 HA TYR 4 -1.898 2.710 5.164 36 1HB TYR 4 2HB TYR 4 -3.446 2.683 7.176 37 2HB TYR 4 1HB TYR 4 -2.400 1.450 7.865 38 HD1 TYR 4 HD1 TYR 4 -0.147 2.029 8.649 39 HD2 TYR 4 HD2 TYR 4 -2.752 4.991 7.057 40 HE1 TYR 4 HE1 TYR 4 1.265 3.789 9.629 41 HE2 TYR 4 HE2 TYR 4 -1.345 6.759 8.026 42 HH TYR 4 HH TYR 4 0.271 6.973 9.952 43 H ASP 5 H ASP 5 -1.642 -0.427 6.824 44 HA ASP 5 HA ASP 5 1.156 -0.394 7.063 45 1HB ASP 5 2HB ASP 5 -0.893 -2.588 7.133 46 2HB ASP 5 1HB ASP 5 0.820 -2.945 7.267 47 H ALA 6 H ALA 6 -0.950 -1.926 4.676 48 HA ALA 6 HA ALA 6 0.976 -3.280 3.199 49 1HB ALA 6 1HB ALA 6 -1.465 -3.594 2.970 50 2HB ALA 6 2HB ALA 6 -0.643 -3.399 1.423 51 3HB ALA 6 3HB ALA 6 -1.555 -2.056 2.110 52 H ILE 7 H ILE 7 -0.309 0.001 2.659 53 HA ILE 7 HA ILE 7 1.288 0.480 0.356 54 HB ILE 7 HB ILE 7 -0.046 2.484 2.187 55 1HG1 ILE 7 2HG1 ILE 7 -1.008 1.317 -0.435 56 2HG1 ILE 7 1HG1 ILE 7 -1.584 0.824 1.154 57 1HG2 ILE 7 1HG2 ILE 7 0.097 4.012 0.267 58 2HG2 ILE 7 2HG2 ILE 7 1.028 2.803 -0.618 59 3HG2 ILE 7 3HG2 ILE 7 1.689 3.526 0.848 60 1HD1 ILE 7 1HD1 ILE 7 -1.850 3.577 -0.024 61 2HD1 ILE 7 2HD1 ILE 7 -2.457 3.053 1.547 62 3HD1 ILE 7 3HD1 ILE 7 -3.127 2.364 0.067 63 H MET 8 H MET 8 1.672 1.268 3.787 64 HA MET 8 HA MET 8 3.914 2.952 3.502 65 1HB MET 8 2HB MET 8 2.527 2.870 5.538 66 2HB MET 8 1HB MET 8 3.113 1.247 5.867 67 1HG MET 8 2HG MET 8 4.415 2.510 7.269 68 2HG MET 8 1HG MET 8 5.455 2.356 5.857 69 1HE MET 8 1HE MET 8 6.048 4.194 4.234 70 2HE MET 8 2HE MET 8 5.515 5.872 4.317 71 3HE MET 8 3HE MET 8 4.402 4.625 3.764 72 H TYR 9 H TYR 9 3.587 -0.513 3.860 73 HA TYR 9 HA TYR 9 6.354 -1.050 4.209 74 1HB TYR 9 2HB TYR 9 4.873 -2.735 4.952 75 2HB TYR 9 1HB TYR 9 3.985 -2.744 3.432 76 HD1 TYR 9 HD1 TYR 9 7.472 -3.343 4.660 77 HD2 TYR 9 HD2 TYR 9 4.359 -4.508 2.005 78 HE1 TYR 9 HE1 TYR 9 8.864 -5.201 3.849 79 HE2 TYR 9 HE2 TYR 9 5.742 -6.367 1.188 80 HH TYR 9 HH TYR 9 8.007 -7.057 1.058 81 H LYS 10 H LYS 10 4.211 -0.994 1.395 82 HA LYS 10 HA LYS 10 6.147 -2.042 -0.407 83 1HB LYS 10 2HB LYS 10 3.531 -1.921 -0.554 84 2HB LYS 10 1HB LYS 10 3.836 -0.365 -1.309 85 1HG LYS 10 2HG LYS 10 4.995 -2.969 -2.273 86 2HG LYS 10 1HG LYS 10 3.517 -2.247 -2.902 87 1HD LYS 10 2HD LYS 10 4.865 -0.221 -3.497 88 2HD LYS 10 1HD LYS 10 6.311 -1.121 -3.036 89 1HE LYS 10 2HE LYS 10 4.343 -1.962 -5.162 90 2HE LYS 10 1HE LYS 10 5.886 -1.165 -5.465 91 1HZ LYS 10 1HZ LYS 10 5.958 -3.595 -5.741 92 2HZ LYS 10 2HZ LYS 10 5.603 -3.785 -4.094 93 3HZ LYS 10 3HZ LYS 10 7.047 -3.034 -4.568 94 H TYR 11 H TYR 11 4.941 1.236 0.226 95 HA TYR 11 HA TYR 11 7.351 2.262 -1.121 96 1HB TYR 11 2HB TYR 11 4.609 3.522 -0.986 97 2HB TYR 11 1HB TYR 11 6.037 4.321 -1.624 98 HD1 TYR 11 HD1 TYR 11 3.211 2.352 -2.432 99 HD2 TYR 11 HD2 TYR 11 7.236 3.087 -3.593 100 HE1 TYR 11 HE1 TYR 11 2.731 1.427 -4.662 101 HE2 TYR 11 HE2 TYR 11 6.768 2.165 -5.823 102 HH TYR 11 HH TYR 11 3.633 1.584 -6.963 103 HA PRO 12 HA PRO 12 7.770 3.400 3.286 104 1HB PRO 12 2HB PRO 12 10.561 3.813 2.420 105 2HB PRO 12 1HB PRO 12 9.929 2.838 3.750 106 1HG PRO 12 2HG PRO 12 10.919 1.704 1.535 107 2HG PRO 12 1HG PRO 12 9.526 1.009 2.386 108 1HD PRO 12 2HD PRO 12 9.597 2.663 -0.109 109 2HD PRO 12 1HD PRO 12 8.602 1.239 0.271 110 H ASN 13 H ASN 13 8.819 5.051 0.385 111 HA ASN 13 HA ASN 13 9.160 7.566 1.813 112 1HB ASN 13 2HB ASN 13 9.805 6.656 -0.980 113 2HB ASN 13 1HB ASN 13 9.831 8.358 -0.540 114 1HD2 ASN 13 1HD2 ASN 13 12.002 6.538 -1.361 115 2HD2 ASN 13 2HD2 ASN 13 13.170 6.611 -0.078 116 H ALA 14 H ALA 14 6.555 6.032 0.941 117 HA ALA 14 HA ALA 14 5.211 8.221 -0.434 118 1HB ALA 14 1HB ALA 14 3.266 6.760 -0.467 119 2HB ALA 14 2HB ALA 14 4.117 5.581 0.532 120 3HB ALA 14 3HB ALA 14 4.689 5.931 -1.098 121 H VAL 15 H VAL 15 4.226 9.801 0.615 122 HA VAL 15 HA VAL 15 3.904 9.542 3.515 123 HB VAL 15 HB VAL 15 3.787 12.060 1.850 124 1HG1 VAL 15 1HG1 VAL 15 2.727 12.243 4.028 125 2HG1 VAL 15 2HG1 VAL 15 4.211 13.192 3.970 126 3HG1 VAL 15 3HG1 VAL 15 4.190 11.640 4.807 127 1HG2 VAL 15 1HG2 VAL 15 5.971 10.968 1.592 128 2HG2 VAL 15 2HG2 VAL 15 6.159 10.946 3.345 129 3HG2 VAL 15 3HG2 VAL 15 6.087 12.484 2.485 130 H SER 16 H SER 16 1.893 8.747 3.974 131 HA SER 16 HA SER 16 -0.343 9.415 2.274 132 1HB SER 16 2HB SER 16 -1.578 7.930 3.975 133 2HB SER 16 1HB SER 16 -0.326 7.160 3.002 134 HG SER 16 HG SER 16 -0.476 7.396 5.669 135 H ARG 17 H ARG 17 0.714 11.586 3.481 136 HA ARG 17 HA ARG 17 -1.183 12.369 5.509 137 1HB ARG 17 2HB ARG 17 1.314 13.753 4.555 138 2HB ARG 17 1HB ARG 17 0.231 14.385 5.793 139 1HG ARG 17 2HG ARG 17 0.643 12.400 7.160 140 2HG ARG 17 1HG ARG 17 1.741 11.784 5.929 141 1HD ARG 17 2HD ARG 17 3.131 13.819 6.244 142 2HD ARG 17 1HD ARG 17 2.078 14.276 7.585 143 HE ARG 17 HE ARG 17 3.287 11.629 7.719 144 1HH1 ARG 17 1HH1 ARG 17 3.361 14.971 8.762 145 2HH1 ARG 17 2HH1 ARG 17 4.427 14.657 10.100 146 1HH2 ARG 17 1HH2 ARG 17 4.641 11.200 9.483 147 2HH2 ARG 17 2HH2 ARG 17 5.119 12.496 10.547 148 H LYS 18 H LYS 18 0.253 14.093 2.746 149 HA LYS 18 HA LYS 18 -2.412 15.208 2.185 150 1HB LYS 18 2HB LYS 18 0.333 16.400 1.800 151 2HB LYS 18 1HB LYS 18 -1.134 17.109 1.164 152 1HG LYS 18 2HG LYS 18 -0.750 18.299 3.118 153 2HG LYS 18 1HG LYS 18 -1.964 17.109 3.591 154 1HD LYS 18 2HD LYS 18 -0.182 15.686 4.514 155 2HD LYS 18 1HD LYS 18 1.011 16.904 4.059 156 1HE LYS 18 2HE LYS 18 0.471 17.113 6.408 157 2HE LYS 18 1HE LYS 18 -0.108 18.526 5.528 158 1HZ LYS 18 1HZ LYS 18 -1.746 17.772 7.111 159 2HZ LYS 18 2HZ LYS 18 -1.770 16.224 6.416 160 3HZ LYS 18 3HZ LYS 18 -2.335 17.559 5.534 161 H ASP 19 H ASP 19 0.530 13.885 0.758 162 HA ASP 19 HA ASP 19 -0.056 14.277 -1.956 163 1HB ASP 19 2HB ASP 19 1.460 11.988 -0.667 164 2HB ASP 19 1HB ASP 19 1.497 12.397 -2.379 165 H PHE 20 H PHE 20 -0.746 11.553 0.158 166 HA PHE 20 HA PHE 20 -3.288 11.234 -1.174 167 1HB PHE 20 2HB PHE 20 -3.105 8.850 -1.506 168 2HB PHE 20 1HB PHE 20 -1.763 9.619 -2.337 169 HD1 PHE 20 HD1 PHE 20 -2.740 7.104 -0.051 170 HD2 PHE 20 HD2 PHE 20 0.502 9.658 -1.092 171 HE1 PHE 20 HE1 PHE 20 -1.185 5.592 1.103 172 HE2 PHE 20 HE2 PHE 20 2.062 8.151 0.066 173 HZ PHE 20 HZ PHE 20 1.220 6.118 1.161 174 H GLU 21 H GLU 21 -4.831 10.202 0.261 175 HA GLU 21 HA GLU 21 -3.856 9.970 3.007 176 1HB GLU 21 2HB GLU 21 -4.585 12.297 2.704 177 2HB GLU 21 1HB GLU 21 -6.169 11.732 2.190 178 1HG GLU 21 2HG GLU 21 -6.683 10.911 4.340 179 2HG GLU 21 1HG GLU 21 -5.014 11.072 4.879 180 H LEU 22 H LEU 22 -4.773 8.445 4.152 181 HA LEU 22 HA LEU 22 -6.794 6.796 2.850 182 1HB LEU 22 2HB LEU 22 -5.210 6.207 5.348 183 2HB LEU 22 1HB LEU 22 -6.140 5.068 4.394 184 HG LEU 22 HG LEU 22 -3.611 6.457 3.497 185 1HD1 LEU 22 1HD1 LEU 22 -3.191 4.764 5.184 186 2HD1 LEU 22 2HD1 LEU 22 -2.640 4.207 3.604 187 3HD1 LEU 22 3HD1 LEU 22 -4.151 3.597 4.277 188 1HD2 LEU 22 1HD2 LEU 22 -5.125 6.064 1.631 189 2HD2 LEU 22 2HD2 LEU 22 -5.306 4.379 2.119 190 3HD2 LEU 22 3HD2 LEU 22 -3.743 4.969 1.556 191 H ARG 23 H ARG 23 -8.619 6.007 4.052 192 HA ARG 23 HA ARG 23 -9.363 7.658 6.366 193 1HB ARG 23 2HB ARG 23 -10.329 8.495 4.125 194 2HB ARG 23 1HB ARG 23 -11.327 7.047 4.167 195 1HG ARG 23 2HG ARG 23 -12.608 8.840 5.055 196 2HG ARG 23 1HG ARG 23 -12.171 7.782 6.398 197 1HD ARG 23 2HD ARG 23 -11.865 10.079 7.071 198 2HD ARG 23 1HD ARG 23 -10.288 9.305 6.921 199 HE ARG 23 HE ARG 23 -11.225 10.762 4.584 200 1HH1 ARG 23 1HH1 ARG 23 -9.291 10.842 7.521 201 2HH1 ARG 23 2HH1 ARG 23 -8.286 12.148 6.968 202 1HH2 ARG 23 1HH2 ARG 23 -9.942 12.473 3.876 203 2HH2 ARG 23 2HH2 ARG 23 -8.657 13.086 4.888 204 H ASN 24 H ASN 24 -10.970 6.695 7.721 205 HA ASN 24 HA ASN 24 -10.831 3.831 7.784 206 1HB ASN 24 2HB ASN 24 -10.879 5.109 9.868 207 2HB ASN 24 1HB ASN 24 -12.459 5.762 9.451 208 1HD2 ASN 24 1HD2 ASN 24 -13.381 4.929 11.319 209 2HD2 ASN 24 2HD2 ASN 24 -13.718 3.238 11.499 210 H ASP 25 H ASP 25 -12.125 2.465 6.834 211 HA ASP 25 HA ASP 25 -14.407 3.451 5.335 212 1HB ASP 25 2HB ASP 25 -12.893 1.965 4.189 213 2HB ASP 25 1HB ASP 25 -13.020 0.766 5.471 214 H GLY 26 H GLY 26 -13.711 1.671 8.199 215 1HA GLY 26 2HA GLY 26 -15.450 1.326 9.855 216 2HA GLY 26 1HA GLY 26 -16.573 1.033 8.529 217 H ASN 27 H ASN 27 -15.112 -0.627 6.930 218 HA ASN 27 HA ASN 27 -14.859 -3.048 8.573 219 1HB ASN 27 2HB ASN 27 -16.389 -2.951 6.538 220 2HB ASN 27 1HB ASN 27 -14.937 -2.847 5.553 221 1HD2 ASN 27 1HD2 ASN 27 -13.775 -4.669 5.143 222 2HD2 ASN 27 2HD2 ASN 27 -14.238 -6.246 5.683 223 H GLY 28 H GLY 28 -12.950 -0.687 7.892 224 1HA GLY 28 2HA GLY 28 -10.502 -1.711 8.313 225 2HA GLY 28 1HA GLY 28 -10.722 -1.988 6.588 226 H SER 29 H SER 29 -8.882 -0.533 6.370 227 HA SER 29 HA SER 29 -9.819 2.254 6.282 228 1HB SER 29 2HB SER 29 -7.002 1.388 6.996 229 2HB SER 29 1HB SER 29 -7.609 3.043 6.937 230 HG SER 29 HG SER 29 -9.243 1.837 8.531 231 H TYR 30 H TYR 30 -9.726 3.046 4.250 232 HA TYR 30 HA TYR 30 -7.966 1.663 2.338 233 1HB TYR 30 2HB TYR 30 -9.680 1.578 0.690 234 2HB TYR 30 1HB TYR 30 -10.378 0.941 2.170 235 HD1 TYR 30 HD1 TYR 30 -11.218 2.702 -0.573 236 HD2 TYR 30 HD2 TYR 30 -11.360 3.146 3.657 237 HE1 TYR 30 HE1 TYR 30 -13.094 4.273 -0.807 238 HE2 TYR 30 HE2 TYR 30 -13.241 4.711 3.433 239 HH TYR 30 HH TYR 30 -14.144 6.273 1.666 240 H ILE 31 H ILE 31 -8.234 3.033 0.107 241 HA ILE 31 HA ILE 31 -6.941 5.524 0.830 242 HB ILE 31 HB ILE 31 -7.431 4.516 -1.972 243 1HG1 ILE 31 2HG1 ILE 31 -5.057 3.908 -0.181 244 2HG1 ILE 31 1HG1 ILE 31 -6.320 2.756 -0.600 245 1HG2 ILE 31 1HG2 ILE 31 -5.331 6.326 -0.784 246 2HG2 ILE 31 2HG2 ILE 31 -6.709 6.834 -1.759 247 3HG2 ILE 31 3HG2 ILE 31 -5.436 5.844 -2.477 248 1HD1 ILE 31 1HD1 ILE 31 -4.375 4.052 -2.496 249 2HD1 ILE 31 2HD1 ILE 31 -5.683 2.967 -2.970 250 3HD1 ILE 31 3HD1 ILE 31 -4.367 2.373 -1.956 251 H GLU 32 H GLU 32 -8.022 7.353 1.049 252 HA GLU 32 HA GLU 32 -10.600 7.721 -0.253 253 1HB GLU 32 2HB GLU 32 -10.421 8.421 2.073 254 2HB GLU 32 1HB GLU 32 -9.068 9.475 1.681 255 1HG GLU 32 2HG GLU 32 -10.625 10.733 0.163 256 2HG GLU 32 1HG GLU 32 -11.939 9.779 0.850 257 H LYS 33 H LYS 33 -7.526 9.474 0.015 258 HA LYS 33 HA LYS 33 -8.095 10.712 -2.598 259 1HB LYS 33 2HB LYS 33 -6.579 11.796 -0.226 260 2HB LYS 33 1HB LYS 33 -6.509 12.520 -1.826 261 1HG LYS 33 2HG LYS 33 -8.980 12.821 -1.713 262 2HG LYS 33 1HG LYS 33 -8.914 12.275 -0.041 263 1HD LYS 33 2HD LYS 33 -7.309 14.562 -1.108 264 2HD LYS 33 1HD LYS 33 -8.895 14.754 -0.370 265 1HE LYS 33 2HE LYS 33 -6.625 13.371 1.024 266 2HE LYS 33 1HE LYS 33 -6.865 15.113 1.112 267 1HZ LYS 33 1HZ LYS 33 -8.939 13.126 1.870 268 2HZ LYS 33 2HZ LYS 33 -8.976 14.805 2.125 269 3HZ LYS 33 3HZ LYS 33 -7.864 13.842 2.974 270 H TRP 34 H TRP 34 -6.435 10.922 -4.054 271 HA TRP 34 HA TRP 34 -3.829 9.791 -3.475 272 1HB TRP 34 2HB TRP 34 -5.237 7.850 -4.141 273 2HB TRP 34 1HB TRP 34 -5.601 8.657 -5.659 274 HD1 TRP 34 HD1 TRP 34 -3.608 8.806 -7.478 275 HE1 TRP 34 HE1 TRP 34 -1.532 7.326 -7.825 276 HE3 TRP 34 HE3 TRP 34 -3.474 6.523 -2.902 277 HZ2 TRP 34 HZ2 TRP 34 -0.033 5.445 -6.349 278 HZ3 TRP 34 HZ3 TRP 34 -1.686 4.894 -2.454 279 HH2 TRP 34 HH2 TRP 34 -0.001 4.365 -4.143 280 H ASN 35 H ASN 35 -2.579 11.418 -4.150 281 HA ASN 35 HA ASN 35 -3.209 12.654 -6.751 282 1HB ASN 35 2HB ASN 35 -2.095 13.886 -4.237 283 2HB ASN 35 1HB ASN 35 -1.906 14.655 -5.810 284 1HD2 ASN 35 1HD2 ASN 35 -3.357 15.498 -3.412 285 2HD2 ASN 35 2HD2 ASN 35 -4.986 15.773 -3.926 286 H LEU 36 H LEU 36 -1.302 10.464 -5.477 287 HA LEU 36 HA LEU 36 1.305 11.274 -6.259 288 1HB LEU 36 2HB LEU 36 0.133 8.507 -5.940 289 2HB LEU 36 1HB LEU 36 1.833 8.849 -6.182 290 HG LEU 36 HG LEU 36 0.179 9.634 -3.796 291 1HD1 LEU 36 1HD1 LEU 36 2.453 7.688 -4.116 292 2HD1 LEU 36 2HD1 LEU 36 0.757 7.273 -3.873 293 3HD1 LEU 36 3HD1 LEU 36 1.654 8.099 -2.598 294 1HD2 LEU 36 1HD2 LEU 36 3.088 10.149 -4.387 295 2HD2 LEU 36 2HD2 LEU 36 2.278 10.474 -2.855 296 3HD2 LEU 36 3HD2 LEU 36 1.814 11.365 -4.304 297 H ARG 37 H ARG 37 2.465 10.746 -8.121 298 HA ARG 37 HA ARG 37 0.802 10.532 -10.494 299 1HB ARG 37 2HB ARG 37 3.795 10.866 -10.293 300 2HB ARG 37 1HB ARG 37 2.801 11.116 -11.722 301 1HG ARG 37 2HG ARG 37 1.619 12.935 -10.457 302 2HG ARG 37 1HG ARG 37 2.857 12.769 -9.211 303 1HD ARG 37 2HD ARG 37 3.496 14.556 -10.661 304 2HD ARG 37 1HD ARG 37 4.573 13.191 -10.971 305 HE ARG 37 HE ARG 37 2.258 13.340 -12.703 306 1HH1 ARG 37 1HH1 ARG 37 5.639 14.132 -12.243 307 2HH1 ARG 37 2HH1 ARG 37 5.916 14.496 -13.921 308 1HH2 ARG 37 1HH2 ARG 37 2.609 13.812 -14.908 309 2HH2 ARG 37 2HH2 ARG 37 4.177 14.335 -15.441 310 H ALA 38 H ALA 38 0.530 8.286 -9.218 311 HA ALA 38 HA ALA 38 2.004 6.329 -10.830 312 1HB ALA 38 1HB ALA 38 1.425 6.024 -7.875 313 2HB ALA 38 2HB ALA 38 3.010 6.344 -8.577 314 3HB ALA 38 3HB ALA 38 2.190 4.822 -8.917 315 HA PRO 39 HA PRO 39 -2.001 4.851 -11.896 316 1HB PRO 39 2HB PRO 39 -1.486 2.128 -11.937 317 2HB PRO 39 1HB PRO 39 -1.156 3.244 -13.264 318 1HG PRO 39 2HG PRO 39 0.698 2.176 -11.178 319 2HG PRO 39 1HG PRO 39 0.990 2.452 -12.905 320 1HD PRO 39 2HD PRO 39 1.917 4.150 -11.059 321 2HD PRO 39 1HD PRO 39 1.293 4.733 -12.617 322 H LEU 40 H LEU 40 -3.812 4.406 -10.801 323 HA LEU 40 HA LEU 40 -3.830 3.863 -8.048 324 1HB LEU 40 2HB LEU 40 -5.851 4.068 -10.200 325 2HB LEU 40 1HB LEU 40 -6.330 3.160 -8.784 326 HG LEU 40 HG LEU 40 -7.081 5.452 -8.595 327 1HD1 LEU 40 1HD1 LEU 40 -6.090 6.036 -6.439 328 2HD1 LEU 40 2HD1 LEU 40 -4.781 4.889 -6.729 329 3HD1 LEU 40 3HD1 LEU 40 -6.435 4.307 -6.544 330 1HD2 LEU 40 1HD2 LEU 40 -4.174 6.205 -8.852 331 2HD2 LEU 40 2HD2 LEU 40 -5.493 7.308 -8.459 332 3HD2 LEU 40 3HD2 LEU 40 -5.442 6.520 -10.038 333 HA PRO 41 HA PRO 41 -2.872 -0.473 -8.327 334 1HB PRO 41 2HB PRO 41 -3.689 -0.512 -5.505 335 2HB PRO 41 1HB PRO 41 -2.143 -0.943 -6.237 336 1HG PRO 41 2HG PRO 41 -2.478 1.306 -4.786 337 2HG PRO 41 1HG PRO 41 -1.341 1.199 -6.142 338 1HD PRO 41 2HD PRO 41 -4.017 2.498 -6.010 339 2HD PRO 41 1HD PRO 41 -2.574 2.962 -6.923 340 H THR 42 H THR 42 -3.944 -2.372 -8.288 341 HA THR 42 HA THR 42 -6.866 -2.140 -8.277 342 HB THR 42 HB THR 42 -6.764 -4.339 -9.527 343 HG1 THR 42 HG1 THR 42 -4.055 -3.754 -10.082 344 1HG2 THR 42 1HG2 THR 42 -5.333 -1.985 -10.769 345 2HG2 THR 42 2HG2 THR 42 -7.081 -2.205 -10.683 346 3HG2 THR 42 3HG2 THR 42 -6.103 -3.309 -11.650 347 H GLN 43 H GLN 43 -7.928 -4.389 -7.732 348 HA GLN 43 HA GLN 43 -7.710 -4.822 -5.009 349 1HB GLN 43 2HB GLN 43 -9.611 -5.498 -6.515 350 2HB GLN 43 1HB GLN 43 -8.640 -6.862 -7.034 351 1HG GLN 43 2HG GLN 43 -10.181 -7.606 -5.370 352 2HG GLN 43 1HG GLN 43 -8.552 -7.646 -4.694 353 1HE2 GLN 43 1HE2 GLN 43 -9.204 -7.525 -2.596 354 2HE2 GLN 43 2HE2 GLN 43 -9.924 -6.106 -1.900 355 H ALA 44 H ALA 44 -6.478 -6.845 -7.641 356 HA ALA 44 HA ALA 44 -5.170 -8.760 -6.097 357 1HB ALA 44 1HB ALA 44 -5.546 -9.001 -8.495 358 2HB ALA 44 2HB ALA 44 -3.846 -9.231 -8.091 359 3HB ALA 44 3HB ALA 44 -4.382 -7.714 -8.812 360 H GLU 45 H GLU 45 -3.907 -5.736 -7.439 361 HA GLU 45 HA GLU 45 -1.279 -5.972 -6.521 362 1HB GLU 45 2HB GLU 45 -2.995 -3.583 -7.163 363 2HB GLU 45 1HB GLU 45 -1.319 -3.410 -6.670 364 1HG GLU 45 2HG GLU 45 -0.530 -4.514 -8.593 365 2HG GLU 45 1HG GLU 45 -2.137 -5.126 -8.987 366 H LEU 46 H LEU 46 -4.056 -4.346 -5.007 367 HA LEU 46 HA LEU 46 -2.752 -3.360 -2.755 368 1HB LEU 46 2HB LEU 46 -5.605 -4.245 -3.146 369 2HB LEU 46 1HB LEU 46 -5.038 -3.395 -1.728 370 HG LEU 46 HG LEU 46 -5.047 -2.325 -4.546 371 1HD1 LEU 46 1HD1 LEU 46 -7.271 -2.452 -3.570 372 2HD1 LEU 46 2HD1 LEU 46 -6.737 -0.776 -3.693 373 3HD1 LEU 46 3HD1 LEU 46 -6.703 -1.601 -2.134 374 1HD2 LEU 46 1HD2 LEU 46 -4.368 -0.202 -3.490 375 2HD2 LEU 46 2HD2 LEU 46 -3.147 -1.462 -3.328 376 3HD2 LEU 46 3HD2 LEU 46 -4.175 -1.051 -1.956 377 H GLU 47 H GLU 47 -4.504 -6.425 -3.192 378 HA GLU 47 HA GLU 47 -4.040 -7.295 -0.539 379 1HB GLU 47 2HB GLU 47 -4.932 -8.752 -3.015 380 2HB GLU 47 1HB GLU 47 -4.728 -9.561 -1.465 381 1HG GLU 47 2HG GLU 47 -6.320 -7.923 -0.477 382 2HG GLU 47 1HG GLU 47 -6.609 -7.304 -2.100 383 H THR 48 H THR 48 -2.237 -7.711 -3.542 384 HA THR 48 HA THR 48 -0.533 -9.789 -2.666 385 HB THR 48 HB THR 48 0.071 -7.573 -4.644 386 HG1 THR 48 HG1 THR 48 -1.734 -8.902 -5.207 387 1HG2 THR 48 1HG2 THR 48 2.119 -8.670 -3.875 388 2HG2 THR 48 2HG2 THR 48 1.764 -9.108 -5.545 389 3HG2 THR 48 3HG2 THR 48 1.423 -10.247 -4.243 390 H TRP 49 H TRP 49 -0.270 -6.255 -2.397 391 HA TRP 49 HA TRP 49 2.312 -6.269 -1.239 392 1HB TRP 49 2HB TRP 49 0.112 -4.198 -1.078 393 2HB TRP 49 1HB TRP 49 1.775 -3.941 -0.550 394 HD1 TRP 49 HD1 TRP 49 2.912 -5.621 -3.218 395 HE1 TRP 49 HE1 TRP 49 3.041 -4.313 -5.430 396 HE3 TRP 49 HE3 TRP 49 -0.325 -1.835 -2.086 397 HZ2 TRP 49 HZ2 TRP 49 1.914 -1.977 -6.540 398 HZ3 TRP 49 HZ3 TRP 49 -0.741 -0.102 -3.780 399 HH2 TRP 49 HH2 TRP 49 0.356 -0.171 -5.961 400 H TRP 50 H TRP 50 -0.940 -6.439 0.085 401 HA TRP 50 HA TRP 50 -0.197 -6.357 2.816 402 1HB TRP 50 2HB TRP 50 -2.520 -6.032 2.086 403 2HB TRP 50 1HB TRP 50 -2.582 -7.692 1.508 404 HD1 TRP 50 HD1 TRP 50 -3.397 -9.468 3.199 405 HE1 TRP 50 HE1 TRP 50 -3.915 -9.486 5.727 406 HE3 TRP 50 HE3 TRP 50 -1.615 -4.826 4.424 407 HZ2 TRP 50 HZ2 TRP 50 -3.596 -7.760 7.931 408 HZ3 TRP 50 HZ3 TRP 50 -1.760 -4.097 6.767 409 HH2 TRP 50 HH2 TRP 50 -2.730 -5.534 8.480 410 H GLU 51 H GLU 51 -0.580 -8.981 0.482 411 HA GLU 51 HA GLU 51 -0.077 -11.131 2.201 412 1HB GLU 51 2HB GLU 51 0.260 -10.735 -0.762 413 2HB GLU 51 1HB GLU 51 0.626 -12.253 0.016 414 1HG GLU 51 2HG GLU 51 -1.725 -12.261 0.902 415 2HG GLU 51 1HG GLU 51 -2.029 -10.881 -0.152 416 H GLU 52 H GLU 52 2.111 -9.195 0.180 417 HA GLU 52 HA GLU 52 4.451 -10.602 0.804 418 1HB GLU 52 2HB GLU 52 4.013 -7.753 -0.062 419 2HB GLU 52 1HB GLU 52 5.618 -8.424 0.201 420 1HG GLU 52 2HG GLU 52 5.066 -10.201 -1.457 421 2HG GLU 52 1HG GLU 52 3.572 -9.335 -1.798 422 H LEU 53 H LEU 53 2.886 -7.855 2.381 423 HA LEU 53 HA LEU 53 4.827 -7.487 4.400 424 1HB LEU 53 2HB LEU 53 3.151 -5.794 3.911 425 2HB LEU 53 1HB LEU 53 1.867 -6.893 4.372 426 HG LEU 53 HG LEU 53 2.746 -6.875 6.699 427 1HD1 LEU 53 1HD1 LEU 53 4.338 -5.147 7.346 428 2HD1 LEU 53 2HD1 LEU 53 4.529 -4.681 5.656 429 3HD1 LEU 53 3HD1 LEU 53 5.059 -6.274 6.197 430 1HD2 LEU 53 1HD2 LEU 53 1.901 -4.661 7.247 431 2HD2 LEU 53 2HD2 LEU 53 0.896 -5.434 6.021 432 3HD2 LEU 53 3HD2 LEU 53 2.044 -4.180 5.557 433 H GLN 54 H GLN 54 1.942 -9.494 4.175 434 HA GLN 54 HA GLN 54 1.919 -10.428 6.841 435 1HB GLN 54 2HB GLN 54 0.087 -10.534 5.037 436 2HB GLN 54 1HB GLN 54 0.912 -11.976 4.476 437 1HG GLN 54 2HG GLN 54 -0.892 -12.642 5.873 438 2HG GLN 54 1HG GLN 54 0.615 -12.964 6.726 439 1HE2 GLN 54 1HE2 GLN 54 -0.726 -9.762 6.382 440 2HE2 GLN 54 2HE2 GLN 54 -1.144 -9.548 8.046 441 H LYS 55 H LYS 55 3.587 -11.434 3.966 442 HA LYS 55 HA LYS 55 4.683 -13.817 5.275 443 1HB LYS 55 2HB LYS 55 3.655 -13.911 2.984 444 2HB LYS 55 1HB LYS 55 4.975 -12.905 2.414 445 1HG LYS 55 2HG LYS 55 6.541 -14.685 3.236 446 2HG LYS 55 1HG LYS 55 5.122 -15.701 3.491 447 1HD LYS 55 2HD LYS 55 4.551 -15.592 1.164 448 2HD LYS 55 1HD LYS 55 5.813 -14.399 0.865 449 1HE LYS 55 2HE LYS 55 6.256 -17.251 1.745 450 2HE LYS 55 1HE LYS 55 6.456 -16.642 0.103 451 1HZ LYS 55 1HZ LYS 55 8.150 -15.070 1.060 452 2HZ LYS 55 2HZ LYS 55 8.588 -16.705 1.069 453 3HZ LYS 55 3HZ LYS 55 8.067 -15.965 2.499 454 H ASN 56 H ASN 56 5.463 -10.802 5.583 455 HA ASN 56 HA ASN 56 8.271 -10.983 4.754 456 1HB ASN 56 2HB ASN 56 6.924 -8.940 4.160 457 2HB ASN 56 1HB ASN 56 6.818 -8.580 5.882 458 1HD2 ASN 56 1HD2 ASN 56 8.014 -6.772 6.021 459 2HD2 ASN 56 2HD2 ASN 56 9.687 -6.669 5.582 460 HA PRO 57 HA PRO 57 9.514 -11.556 9.075 461 1HB PRO 57 2HB PRO 57 12.159 -10.988 7.878 462 2HB PRO 57 1HB PRO 57 11.642 -12.374 8.843 463 1HG PRO 57 2HG PRO 57 12.100 -12.590 6.211 464 2HG PRO 57 1HG PRO 57 10.808 -13.507 7.010 465 1HD PRO 57 2HD PRO 57 10.624 -11.026 5.343 466 2HD PRO 57 1HD PRO 57 9.551 -12.442 5.380 467 HA PRO 58 HA PRO 58 9.223 -7.264 9.952 468 1HB PRO 58 2HB PRO 58 10.719 -7.853 12.435 469 2HB PRO 58 1HB PRO 58 9.123 -7.132 12.224 470 1HG PRO 58 2HG PRO 58 9.390 -9.647 13.092 471 2HG PRO 58 1HG PRO 58 8.070 -9.176 12.005 472 1HD PRO 58 2HD PRO 58 10.596 -10.654 11.393 473 2HD PRO 58 1HD PRO 58 8.962 -10.885 10.737 474 H TYR 59 H TYR 59 10.364 -5.416 9.838 475 HA TYR 59 HA TYR 59 13.140 -5.609 9.053 476 1HB TYR 59 2HB TYR 59 11.540 -4.133 7.862 477 2HB TYR 59 1HB TYR 59 11.348 -3.182 9.328 478 HD1 TYR 59 HD1 TYR 59 12.993 -1.554 9.968 479 HD2 TYR 59 HD2 TYR 59 13.663 -4.066 6.598 480 HE1 TYR 59 HE1 TYR 59 14.855 -0.113 9.269 481 HE2 TYR 59 HE2 TYR 59 15.529 -2.626 5.893 482 HH TYR 59 HH TYR 59 16.255 -0.258 6.216 483 H GLU 60 H GLU 60 14.624 -5.756 10.576 484 HA GLU 60 HA GLU 60 14.191 -5.090 13.277 485 1HB GLU 60 2HB GLU 60 16.831 -5.503 11.861 486 2HB GLU 60 1HB GLU 60 16.556 -5.578 13.594 487 1HG GLU 60 2HG GLU 60 14.976 -7.474 13.164 488 2HG GLU 60 1HG GLU 60 15.552 -7.474 11.497 Start of MODEL 13 1 1H MET 1 1H MET 1 -10.187 -4.053 5.091 2 2H MET 1 2H MET 1 -9.283 -4.592 6.421 3 3H MET 1 3H MET 1 -9.820 -5.700 5.258 4 HA MET 1 HA MET 1 -7.515 -5.319 4.902 5 1HB MET 1 2HB MET 1 -9.296 -5.367 2.990 6 2HB MET 1 1HB MET 1 -8.905 -3.663 2.815 7 1HG MET 1 2HG MET 1 -6.876 -5.870 2.654 8 2HG MET 1 1HG MET 1 -7.711 -5.191 1.261 9 1HE MET 1 1HE MET 1 -5.550 -4.537 0.006 10 2HE MET 1 2HE MET 1 -4.627 -5.326 1.285 11 3HE MET 1 3HE MET 1 -4.182 -3.706 0.747 12 H ILE 2 H ILE 2 -5.843 -4.030 5.435 13 HA ILE 2 HA ILE 2 -6.400 -1.176 5.870 14 HB ILE 2 HB ILE 2 -4.077 -2.778 6.943 15 1HG1 ILE 2 2HG1 ILE 2 -5.343 -2.199 9.172 16 2HG1 ILE 2 1HG1 ILE 2 -6.745 -2.094 8.117 17 1HG2 ILE 2 1HG2 ILE 2 -5.014 0.024 7.521 18 2HG2 ILE 2 2HG2 ILE 2 -3.538 -0.441 6.672 19 3HG2 ILE 2 3HG2 ILE 2 -3.725 -0.812 8.388 20 1HD1 ILE 2 1HD1 ILE 2 -6.403 -4.391 7.409 21 2HD1 ILE 2 2HD1 ILE 2 -6.565 -4.281 9.162 22 3HD1 ILE 2 3HD1 ILE 2 -4.975 -4.503 8.435 23 H LEU 3 H LEU 3 -5.790 0.065 4.276 24 HA LEU 3 HA LEU 3 -3.993 -0.704 2.231 25 1HB LEU 3 2HB LEU 3 -5.760 1.509 2.883 26 2HB LEU 3 1HB LEU 3 -4.299 2.033 2.088 27 HG LEU 3 HG LEU 3 -6.038 1.708 0.459 28 1HD1 LEU 3 1HD1 LEU 3 -4.009 -0.512 0.306 29 2HD1 LEU 3 2HD1 LEU 3 -3.773 1.152 -0.233 30 3HD1 LEU 3 3HD1 LEU 3 -4.952 0.121 -1.044 31 1HD2 LEU 3 1HD2 LEU 3 -6.201 -1.134 1.457 32 2HD2 LEU 3 2HD2 LEU 3 -7.079 -0.467 0.080 33 3HD2 LEU 3 3HD2 LEU 3 -7.414 0.121 1.708 34 H TYR 4 H TYR 4 -3.695 1.142 5.156 35 HA TYR 4 HA TYR 4 -1.583 2.816 4.668 36 1HB TYR 4 2HB TYR 4 -2.893 2.767 6.760 37 2HB TYR 4 1HB TYR 4 -2.083 1.276 7.223 38 HD1 TYR 4 HD1 TYR 4 0.154 1.309 8.122 39 HD2 TYR 4 HD2 TYR 4 -1.663 4.900 6.733 40 HE1 TYR 4 HE1 TYR 4 1.922 2.622 9.218 41 HE2 TYR 4 HE2 TYR 4 0.098 6.220 7.825 42 HH TYR 4 HH TYR 4 1.699 5.991 9.656 43 H ASP 5 H ASP 5 -1.348 -0.504 5.915 44 HA ASP 5 HA ASP 5 1.478 -0.521 6.001 45 1HB ASP 5 2HB ASP 5 -0.581 -2.730 5.969 46 2HB ASP 5 1HB ASP 5 1.138 -3.040 6.132 47 H ALA 6 H ALA 6 -0.835 -1.878 3.685 48 HA ALA 6 HA ALA 6 0.945 -3.075 1.932 49 1HB ALA 6 1HB ALA 6 -1.478 -3.398 1.837 50 2HB ALA 6 2HB ALA 6 -0.825 -2.944 0.263 51 3HB ALA 6 3HB ALA 6 -1.676 -1.748 1.241 52 H ILE 7 H ILE 7 -0.222 0.276 1.958 53 HA ILE 7 HA ILE 7 0.974 1.002 -0.502 54 HB ILE 7 HB ILE 7 0.186 2.805 1.792 55 1HG1 ILE 7 2HG1 ILE 7 -1.339 2.056 -0.711 56 2HG1 ILE 7 1HG1 ILE 7 -1.655 1.404 0.893 57 1HG2 ILE 7 1HG2 ILE 7 1.712 3.926 0.299 58 2HG2 ILE 7 2HG2 ILE 7 0.082 4.554 0.049 59 3HG2 ILE 7 3HG2 ILE 7 0.774 3.411 -1.101 60 1HD1 ILE 7 1HD1 ILE 7 -1.903 4.292 0.093 61 2HD1 ILE 7 2HD1 ILE 7 -2.221 3.633 1.697 62 3HD1 ILE 7 3HD1 ILE 7 -3.233 3.158 0.330 63 H MET 8 H MET 8 2.052 1.463 2.879 64 HA MET 8 HA MET 8 4.377 2.921 2.032 65 1HB MET 8 2HB MET 8 3.710 1.747 4.735 66 2HB MET 8 1HB MET 8 5.064 2.818 4.402 67 1HG MET 8 2HG MET 8 3.292 4.463 3.538 68 2HG MET 8 1HG MET 8 2.135 3.436 4.382 69 1HE MET 8 1HE MET 8 5.843 4.403 5.374 70 2HE MET 8 2HE MET 8 5.545 5.822 6.378 71 3HE MET 8 3HE MET 8 5.155 5.859 4.654 72 H TYR 9 H TYR 9 3.640 -0.402 2.560 73 HA TYR 9 HA TYR 9 6.331 -1.329 2.680 74 1HB TYR 9 2HB TYR 9 4.710 -2.831 3.490 75 2HB TYR 9 1HB TYR 9 3.684 -2.627 2.077 76 HD1 TYR 9 HD1 TYR 9 3.586 -4.408 0.648 77 HD2 TYR 9 HD2 TYR 9 7.179 -3.768 2.826 78 HE1 TYR 9 HE1 TYR 9 4.553 -6.416 -0.376 79 HE2 TYR 9 HE2 TYR 9 8.161 -5.785 1.809 80 HH TYR 9 HH TYR 9 6.434 -7.564 -0.735 81 H LYS 10 H LYS 10 4.039 -0.684 0.106 82 HA LYS 10 HA LYS 10 5.733 -1.757 -1.955 83 1HB LYS 10 2HB LYS 10 3.269 -1.768 -2.156 84 2HB LYS 10 1HB LYS 10 3.276 -0.011 -2.184 85 1HG LYS 10 2HG LYS 10 3.041 -0.853 -4.420 86 2HG LYS 10 1HG LYS 10 4.614 -0.073 -4.248 87 1HD LYS 10 2HD LYS 10 5.665 -2.260 -3.938 88 2HD LYS 10 1HD LYS 10 4.095 -3.046 -4.117 89 1HE LYS 10 2HE LYS 10 3.920 -2.109 -6.388 90 2HE LYS 10 1HE LYS 10 5.520 -1.395 -6.200 91 1HZ LYS 10 1HZ LYS 10 5.690 -3.434 -7.410 92 2HZ LYS 10 2HZ LYS 10 4.866 -4.290 -6.206 93 3HZ LYS 10 3HZ LYS 10 6.404 -3.652 -5.891 94 H TYR 11 H TYR 11 4.754 1.497 -0.920 95 HA TYR 11 HA TYR 11 6.952 2.595 -2.552 96 1HB TYR 11 2HB TYR 11 4.359 3.940 -1.758 97 2HB TYR 11 1HB TYR 11 5.651 4.679 -2.695 98 HD1 TYR 11 HD1 TYR 11 6.286 3.449 -4.916 99 HD2 TYR 11 HD2 TYR 11 2.595 2.910 -2.863 100 HE1 TYR 11 HE1 TYR 11 5.250 2.645 -6.995 101 HE2 TYR 11 HE2 TYR 11 1.555 2.094 -4.938 102 HH TYR 11 HH TYR 11 1.912 2.312 -7.388 103 HA PRO 12 HA PRO 12 8.331 3.580 1.669 104 1HB PRO 12 2HB PRO 12 10.921 3.941 0.994 105 2HB PRO 12 1HB PRO 12 10.214 2.341 1.229 106 1HG PRO 12 2HG PRO 12 10.736 3.820 -1.319 107 2HG PRO 12 1HG PRO 12 11.048 2.116 -0.931 108 1HD PRO 12 2HD PRO 12 8.879 2.918 -2.344 109 2HD PRO 12 1HD PRO 12 8.850 1.508 -1.267 110 H ASN 13 H ASN 13 8.388 5.314 -1.255 111 HA ASN 13 HA ASN 13 9.387 7.767 -0.056 112 1HB ASN 13 2HB ASN 13 8.554 7.117 -2.886 113 2HB ASN 13 1HB ASN 13 9.190 8.666 -2.363 114 1HD2 ASN 13 1HD2 ASN 13 10.236 6.832 -4.335 115 2HD2 ASN 13 2HD2 ASN 13 11.831 6.404 -3.820 116 H ALA 14 H ALA 14 6.543 6.293 0.097 117 HA ALA 14 HA ALA 14 4.910 8.639 -0.568 118 1HB ALA 14 1HB ALA 14 4.211 6.500 -1.553 119 2HB ALA 14 2HB ALA 14 2.992 7.147 -0.457 120 3HB ALA 14 3HB ALA 14 4.030 5.820 0.062 121 H VAL 15 H VAL 15 4.418 9.973 1.021 122 HA VAL 15 HA VAL 15 4.660 9.042 3.786 123 HB VAL 15 HB VAL 15 4.300 11.864 2.761 124 1HG1 VAL 15 1HG1 VAL 15 5.097 10.824 5.480 125 2HG1 VAL 15 2HG1 VAL 15 3.560 11.583 5.069 126 3HG1 VAL 15 3HG1 VAL 15 5.051 12.522 5.005 127 1HG2 VAL 15 1HG2 VAL 15 6.806 10.423 3.621 128 2HG2 VAL 15 2HG2 VAL 15 6.694 12.138 3.233 129 3HG2 VAL 15 3HG2 VAL 15 6.408 10.929 1.979 130 H SER 16 H SER 16 2.963 8.729 5.074 131 HA SER 16 HA SER 16 0.329 8.799 4.033 132 1HB SER 16 2HB SER 16 1.117 7.183 5.774 133 2HB SER 16 1HB SER 16 1.166 8.513 6.930 134 HG SER 16 HG SER 16 -0.816 7.753 7.245 135 H ARG 17 H ARG 17 -1.311 10.164 4.370 136 HA ARG 17 HA ARG 17 -2.435 12.075 4.708 137 1HB ARG 17 2HB ARG 17 -0.559 12.387 7.048 138 2HB ARG 17 1HB ARG 17 -1.935 13.440 6.739 139 1HG ARG 17 2HG ARG 17 -3.398 11.418 6.821 140 2HG ARG 17 1HG ARG 17 -1.987 10.496 7.347 141 1HD ARG 17 2HD ARG 17 -1.760 11.964 9.291 142 2HD ARG 17 1HD ARG 17 -3.170 12.883 8.766 143 HE ARG 17 HE ARG 17 -3.241 10.051 9.611 144 1HH1 ARG 17 1HH1 ARG 17 -4.754 13.196 9.235 145 2HH1 ARG 17 2HH1 ARG 17 -6.175 12.763 10.144 146 1HH2 ARG 17 1HH2 ARG 17 -5.098 9.477 10.817 147 2HH2 ARG 17 2HH2 ARG 17 -6.372 10.640 11.049 148 H LYS 18 H LYS 18 0.565 11.948 3.568 149 HA LYS 18 HA LYS 18 0.525 14.797 2.845 150 1HB LYS 18 2HB LYS 18 2.698 14.210 3.681 151 2HB LYS 18 1HB LYS 18 2.748 12.754 2.693 152 1HG LYS 18 2HG LYS 18 2.810 14.154 0.666 153 2HG LYS 18 1HG LYS 18 2.820 15.595 1.682 154 1HD LYS 18 2HD LYS 18 4.943 14.969 2.636 155 2HD LYS 18 1HD LYS 18 4.918 13.431 1.765 156 1HE LYS 18 2HE LYS 18 4.854 16.106 0.383 157 2HE LYS 18 1HE LYS 18 6.355 15.266 0.764 158 1HZ LYS 18 1HZ LYS 18 5.505 14.899 -1.535 159 2HZ LYS 18 2HZ LYS 18 4.181 14.068 -0.878 160 3HZ LYS 18 3HZ LYS 18 5.750 13.473 -0.654 161 H ASP 19 H ASP 19 1.402 11.682 1.381 162 HA ASP 19 HA ASP 19 0.522 12.683 -1.214 163 1HB ASP 19 2HB ASP 19 1.981 10.135 -0.476 164 2HB ASP 19 1HB ASP 19 1.634 10.675 -2.118 165 H PHE 20 H PHE 20 -0.419 10.450 1.253 166 HA PHE 20 HA PHE 20 -2.915 10.000 -0.161 167 1HB PHE 20 2HB PHE 20 -2.867 7.574 0.168 168 2HB PHE 20 1HB PHE 20 -1.521 8.086 -0.840 169 HD1 PHE 20 HD1 PHE 20 -2.522 6.482 2.234 170 HD2 PHE 20 HD2 PHE 20 0.776 8.160 0.131 171 HE1 PHE 20 HE1 PHE 20 -0.971 5.315 3.744 172 HE2 PHE 20 HE2 PHE 20 2.331 6.994 1.639 173 HZ PHE 20 HZ PHE 20 1.460 5.570 3.446 174 H GLU 21 H GLU 21 -4.606 10.094 1.204 175 HA GLU 21 HA GLU 21 -4.052 9.702 4.073 176 1HB GLU 21 2HB GLU 21 -4.543 12.080 3.421 177 2HB GLU 21 1HB GLU 21 -6.144 11.552 2.924 178 1HG GLU 21 2HG GLU 21 -6.711 10.931 5.152 179 2HG GLU 21 1HG GLU 21 -5.059 11.200 5.702 180 H LEU 22 H LEU 22 -5.423 8.420 5.204 181 HA LEU 22 HA LEU 22 -7.018 6.665 3.502 182 1HB LEU 22 2HB LEU 22 -6.171 6.210 6.351 183 2HB LEU 22 1HB LEU 22 -6.768 5.020 5.212 184 HG LEU 22 HG LEU 22 -4.128 6.468 4.981 185 1HD1 LEU 22 1HD1 LEU 22 -3.169 4.286 5.553 186 2HD1 LEU 22 2HD1 LEU 22 -4.792 3.655 5.827 187 3HD1 LEU 22 3HD1 LEU 22 -4.159 4.938 6.857 188 1HD2 LEU 22 1HD2 LEU 22 -5.079 5.838 2.813 189 2HD2 LEU 22 2HD2 LEU 22 -5.277 4.179 3.383 190 3HD2 LEU 22 3HD2 LEU 22 -3.662 4.865 3.207 191 H ARG 23 H ARG 23 -9.044 5.913 4.113 192 HA ARG 23 HA ARG 23 -10.413 7.249 6.328 193 1HB ARG 23 2HB ARG 23 -10.904 7.794 3.578 194 2HB ARG 23 1HB ARG 23 -12.277 6.890 4.203 195 1HG ARG 23 2HG ARG 23 -12.709 9.224 4.460 196 2HG ARG 23 1HG ARG 23 -12.449 8.524 6.053 197 1HD ARG 23 2HD ARG 23 -10.495 9.630 6.383 198 2HD ARG 23 1HD ARG 23 -10.065 9.601 4.674 199 HE ARG 23 HE ARG 23 -11.988 11.343 4.543 200 1HH1 ARG 23 1HH1 ARG 23 -9.665 11.019 7.153 201 2HH1 ARG 23 2HH1 ARG 23 -9.604 12.726 7.476 202 1HH2 ARG 23 1HH2 ARG 23 -11.924 13.585 4.985 203 2HH2 ARG 23 2HH2 ARG 23 -10.900 14.179 6.261 204 H ASN 24 H ASN 24 -12.480 6.125 6.845 205 HA ASN 24 HA ASN 24 -11.995 3.239 6.596 206 1HB ASN 24 2HB ASN 24 -12.184 4.452 8.858 207 2HB ASN 24 1HB ASN 24 -13.906 4.557 8.517 208 1HD2 ASN 24 1HD2 ASN 24 -12.503 3.187 10.642 209 2HD2 ASN 24 2HD2 ASN 24 -12.976 1.531 10.523 210 H ASP 25 H ASP 25 -13.398 1.912 5.621 211 HA ASP 25 HA ASP 25 -15.868 3.047 4.517 212 1HB ASP 25 2HB ASP 25 -14.457 1.920 2.889 213 2HB ASP 25 1HB ASP 25 -14.406 0.470 3.887 214 H GLY 26 H GLY 26 -14.647 0.405 6.477 215 1HA GLY 26 2HA GLY 26 -16.761 0.229 8.236 216 2HA GLY 26 1HA GLY 26 -17.155 -0.863 6.911 217 H ASN 27 H ASN 27 -15.131 -2.226 6.231 218 HA ASN 27 HA ASN 27 -14.053 -3.400 8.720 219 1HB ASN 27 2HB ASN 27 -15.654 -4.793 7.339 220 2HB ASN 27 1HB ASN 27 -14.448 -4.788 6.059 221 1HD2 ASN 27 1HD2 ASN 27 -14.184 -7.000 6.108 222 2HD2 ASN 27 2HD2 ASN 27 -13.384 -7.826 7.403 223 H GLY 28 H GLY 28 -13.033 -1.239 6.800 224 1HA GLY 28 2HA GLY 28 -10.292 -1.978 6.918 225 2HA GLY 28 1HA GLY 28 -10.900 -2.105 5.273 226 H SER 29 H SER 29 -8.856 -0.400 5.907 227 HA SER 29 HA SER 29 -10.116 2.257 5.735 228 1HB SER 29 2HB SER 29 -7.304 1.616 6.656 229 2HB SER 29 1HB SER 29 -8.096 3.193 6.695 230 HG SER 29 HG SER 29 -9.690 1.588 7.989 231 H TYR 30 H TYR 30 -10.036 3.076 3.755 232 HA TYR 30 HA TYR 30 -7.937 2.121 1.924 233 1HB TYR 30 2HB TYR 30 -9.512 2.419 0.090 234 2HB TYR 30 1HB TYR 30 -10.202 1.357 1.311 235 HD1 TYR 30 HD1 TYR 30 -10.717 4.254 -0.676 236 HD2 TYR 30 HD2 TYR 30 -11.831 2.451 3.014 237 HE1 TYR 30 HE1 TYR 30 -12.718 5.677 -0.590 238 HE2 TYR 30 HE2 TYR 30 -13.835 3.873 3.108 239 HH TYR 30 HH TYR 30 -14.997 5.571 0.472 240 H ILE 31 H ILE 31 -8.084 3.853 -0.119 241 HA ILE 31 HA ILE 31 -6.949 6.242 1.116 242 HB ILE 31 HB ILE 31 -7.022 5.515 -1.815 243 1HG1 ILE 31 2HG1 ILE 31 -4.776 5.011 0.146 244 2HG1 ILE 31 1HG1 ILE 31 -5.910 3.773 -0.378 245 1HG2 ILE 31 1HG2 ILE 31 -6.555 7.865 -1.360 246 2HG2 ILE 31 2HG2 ILE 31 -5.116 7.048 -1.973 247 3HG2 ILE 31 3HG2 ILE 31 -5.262 7.400 -0.251 248 1HD1 ILE 31 1HD1 ILE 31 -5.157 4.081 -2.691 249 2HD1 ILE 31 2HD1 ILE 31 -3.842 3.608 -1.614 250 3HD1 ILE 31 3HD1 ILE 31 -3.996 5.285 -2.134 251 H GLU 32 H GLU 32 -8.031 8.110 1.282 252 HA GLU 32 HA GLU 32 -10.258 8.607 -0.573 253 1HB GLU 32 2HB GLU 32 -10.765 8.811 1.855 254 2HB GLU 32 1HB GLU 32 -9.563 10.093 1.970 255 1HG GLU 32 2HG GLU 32 -10.883 11.357 0.258 256 2HG GLU 32 1HG GLU 32 -12.133 10.126 0.408 257 H LYS 33 H LYS 33 -7.564 10.318 0.996 258 HA LYS 33 HA LYS 33 -7.524 12.303 -1.117 259 1HB LYS 33 2HB LYS 33 -6.147 11.968 1.504 260 2HB LYS 33 1HB LYS 33 -5.367 12.961 0.285 261 1HG LYS 33 2HG LYS 33 -8.135 13.388 1.373 262 2HG LYS 33 1HG LYS 33 -6.697 14.300 1.817 263 1HD LYS 33 2HD LYS 33 -6.580 14.620 -0.811 264 2HD LYS 33 1HD LYS 33 -8.314 14.378 -0.654 265 1HE LYS 33 2HE LYS 33 -6.642 16.487 0.694 266 2HE LYS 33 1HE LYS 33 -7.868 16.731 -0.548 267 1HZ LYS 33 1HZ LYS 33 -8.811 17.284 1.536 268 2HZ LYS 33 2HZ LYS 33 -8.289 15.837 2.247 269 3HZ LYS 33 3HZ LYS 33 -9.504 15.808 1.062 270 H TRP 34 H TRP 34 -6.741 11.514 -2.988 271 HA TRP 34 HA TRP 34 -4.157 10.124 -2.921 272 1HB TRP 34 2HB TRP 34 -6.138 9.201 -4.248 273 2HB TRP 34 1HB TRP 34 -5.917 10.565 -5.337 274 HD1 TRP 34 HD1 TRP 34 -4.673 9.820 -7.436 275 HE1 TRP 34 HE1 TRP 34 -2.778 8.165 -7.986 276 HE3 TRP 34 HE3 TRP 34 -3.790 8.003 -2.736 277 HZ2 TRP 34 HZ2 TRP 34 -1.132 6.338 -6.613 278 HZ3 TRP 34 HZ3 TRP 34 -2.041 6.298 -2.445 279 HH2 TRP 34 HH2 TRP 34 -0.740 5.484 -4.346 280 H ASN 35 H ASN 35 -2.451 11.425 -3.034 281 HA ASN 35 HA ASN 35 -2.712 13.957 -4.529 282 1HB ASN 35 2HB ASN 35 -0.946 13.344 -2.147 283 2HB ASN 35 1HB ASN 35 -1.050 14.888 -2.980 284 1HD2 ASN 35 1HD2 ASN 35 -2.619 12.696 -0.796 285 2HD2 ASN 35 2HD2 ASN 35 -3.816 13.804 -0.224 286 H LEU 36 H LEU 36 -1.730 11.132 -5.212 287 HA LEU 36 HA LEU 36 0.976 11.840 -6.106 288 1HB LEU 36 2HB LEU 36 -0.375 9.168 -5.755 289 2HB LEU 36 1HB LEU 36 1.161 9.360 -6.573 290 HG LEU 36 HG LEU 36 0.657 10.126 -3.707 291 1HD1 LEU 36 1HD1 LEU 36 2.033 7.696 -4.844 292 2HD1 LEU 36 2HD1 LEU 36 0.483 7.712 -4.002 293 3HD1 LEU 36 3HD1 LEU 36 1.960 8.138 -3.139 294 1HD2 LEU 36 1HD2 LEU 36 2.433 11.413 -4.742 295 2HD2 LEU 36 2HD2 LEU 36 3.191 9.933 -5.324 296 3HD2 LEU 36 3HD2 LEU 36 3.106 10.256 -3.594 297 H ARG 37 H ARG 37 1.562 11.530 -8.266 298 HA ARG 37 HA ARG 37 -0.653 11.682 -10.151 299 1HB ARG 37 2HB ARG 37 2.309 11.861 -10.711 300 2HB ARG 37 1HB ARG 37 1.005 12.328 -11.792 301 1HG ARG 37 2HG ARG 37 0.364 14.100 -10.213 302 2HG ARG 37 1HG ARG 37 1.732 13.655 -9.191 303 1HD ARG 37 2HD ARG 37 3.196 14.060 -11.219 304 2HD ARG 37 1HD ARG 37 1.782 14.796 -11.974 305 HE ARG 37 HE ARG 37 2.616 15.807 -9.371 306 1HH1 ARG 37 1HH1 ARG 37 2.445 16.264 -12.839 307 2HH1 ARG 37 2HH1 ARG 37 2.870 17.947 -12.767 308 1HH2 ARG 37 1HH2 ARG 37 3.135 18.017 -9.263 309 2HH2 ARG 37 2HH2 ARG 37 3.218 18.957 -10.726 310 H ALA 38 H ALA 38 -0.329 9.245 -8.876 311 HA ALA 38 HA ALA 38 0.752 7.485 -10.978 312 1HB ALA 38 1HB ALA 38 2.002 7.297 -8.897 313 2HB ALA 38 2HB ALA 38 1.102 5.813 -9.216 314 3HB ALA 38 3HB ALA 38 0.511 6.963 -8.015 315 HA PRO 39 HA PRO 39 -3.390 5.916 -11.527 316 1HB PRO 39 2HB PRO 39 -2.078 3.401 -12.333 317 2HB PRO 39 1HB PRO 39 -3.136 4.461 -13.266 318 1HG PRO 39 2HG PRO 39 -0.505 4.282 -13.759 319 2HG PRO 39 1HG PRO 39 -1.402 5.798 -13.967 320 1HD PRO 39 2HD PRO 39 0.415 4.955 -11.742 321 2HD PRO 39 1HD PRO 39 0.231 6.548 -12.504 322 H LEU 40 H LEU 40 -4.799 4.764 -10.311 323 HA LEU 40 HA LEU 40 -3.956 3.635 -7.868 324 1HB LEU 40 2HB LEU 40 -6.556 3.731 -9.353 325 2HB LEU 40 1HB LEU 40 -6.403 2.744 -7.921 326 HG LEU 40 HG LEU 40 -7.396 4.824 -7.292 327 1HD1 LEU 40 1HD1 LEU 40 -4.505 4.758 -6.465 328 2HD1 LEU 40 2HD1 LEU 40 -5.845 3.922 -5.679 329 3HD1 LEU 40 3HD1 LEU 40 -5.774 5.686 -5.668 330 1HD2 LEU 40 1HD2 LEU 40 -6.285 6.979 -7.644 331 2HD2 LEU 40 2HD2 LEU 40 -6.689 6.194 -9.171 332 3HD2 LEU 40 3HD2 LEU 40 -5.027 6.171 -8.582 333 HA PRO 41 HA PRO 41 -3.020 -0.477 -9.268 334 1HB PRO 41 2HB PRO 41 -3.135 -1.430 -6.553 335 2HB PRO 41 1HB PRO 41 -1.710 -1.090 -7.535 336 1HG PRO 41 2HG PRO 41 -2.438 0.366 -5.331 337 2HG PRO 41 1HG PRO 41 -1.448 0.997 -6.656 338 1HD PRO 41 2HD PRO 41 -4.365 1.384 -6.115 339 2HD PRO 41 1HD PRO 41 -3.163 2.531 -6.734 340 H THR 42 H THR 42 -3.696 -2.788 -8.429 341 HA THR 42 HA THR 42 -6.632 -2.832 -8.606 342 HB THR 42 HB THR 42 -6.398 -5.109 -9.510 343 HG1 THR 42 HG1 THR 42 -4.079 -5.612 -10.144 344 1HG2 THR 42 1HG2 THR 42 -6.410 -3.210 -11.054 345 2HG2 THR 42 2HG2 THR 42 -5.386 -4.507 -11.664 346 3HG2 THR 42 3HG2 THR 42 -4.656 -3.083 -10.923 347 H GLN 43 H GLN 43 -7.600 -4.909 -7.592 348 HA GLN 43 HA GLN 43 -7.172 -4.840 -4.852 349 1HB GLN 43 2HB GLN 43 -8.740 -6.463 -6.733 350 2HB GLN 43 1HB GLN 43 -8.511 -7.103 -5.132 351 1HG GLN 43 2HG GLN 43 -9.868 -4.565 -5.943 352 2HG GLN 43 1HG GLN 43 -10.556 -5.945 -5.087 353 1HE2 GLN 43 1HE2 GLN 43 -9.928 -6.291 -2.885 354 2HE2 GLN 43 2HE2 GLN 43 -9.385 -4.957 -1.925 355 H ALA 44 H ALA 44 -6.310 -7.285 -7.273 356 HA ALA 44 HA ALA 44 -5.024 -9.108 -5.635 357 1HB ALA 44 1HB ALA 44 -5.499 -9.521 -8.003 358 2HB ALA 44 2HB ALA 44 -3.803 -9.827 -7.627 359 3HB ALA 44 3HB ALA 44 -4.266 -8.341 -8.457 360 H GLU 45 H GLU 45 -3.716 -6.212 -7.204 361 HA GLU 45 HA GLU 45 -1.066 -6.439 -6.374 362 1HB GLU 45 2HB GLU 45 -2.806 -4.188 -7.200 363 2HB GLU 45 1HB GLU 45 -1.212 -3.844 -6.535 364 1HG GLU 45 2HG GLU 45 -1.764 -5.675 -8.851 365 2HG GLU 45 1HG GLU 45 -1.209 -4.023 -8.954 366 H LEU 46 H LEU 46 -3.711 -4.573 -4.875 367 HA LEU 46 HA LEU 46 -2.315 -3.633 -2.662 368 1HB LEU 46 2HB LEU 46 -5.237 -4.365 -2.865 369 2HB LEU 46 1HB LEU 46 -4.524 -3.355 -1.627 370 HG LEU 46 HG LEU 46 -4.620 -2.687 -4.564 371 1HD1 LEU 46 1HD1 LEU 46 -6.261 -1.005 -3.916 372 2HD1 LEU 46 2HD1 LEU 46 -6.202 -1.582 -2.251 373 3HD1 LEU 46 3HD1 LEU 46 -6.825 -2.631 -3.523 374 1HD2 LEU 46 1HD2 LEU 46 -3.874 -0.463 -3.847 375 2HD2 LEU 46 2HD2 LEU 46 -2.680 -1.708 -3.481 376 3HD2 LEU 46 3HD2 LEU 46 -3.703 -1.062 -2.197 377 H GLU 47 H GLU 47 -4.232 -6.601 -3.029 378 HA GLU 47 HA GLU 47 -3.937 -7.395 -0.328 379 1HB GLU 47 2HB GLU 47 -4.717 -8.961 -2.782 380 2HB GLU 47 1HB GLU 47 -4.780 -9.602 -1.143 381 1HG GLU 47 2HG GLU 47 -6.356 -7.834 -0.522 382 2HG GLU 47 1HG GLU 47 -6.311 -7.224 -2.175 383 H THR 48 H THR 48 -1.967 -7.937 -3.195 384 HA THR 48 HA THR 48 -0.462 -10.098 -2.116 385 HB THR 48 HB THR 48 0.367 -8.071 -4.215 386 HG1 THR 48 HG1 THR 48 -1.453 -9.262 -4.863 387 1HG2 THR 48 1HG2 THR 48 2.277 -9.261 -3.223 388 2HG2 THR 48 2HG2 THR 48 2.010 -9.736 -4.901 389 3HG2 THR 48 3HG2 THR 48 1.499 -10.799 -3.588 390 H TRP 49 H TRP 49 0.034 -6.577 -2.131 391 HA TRP 49 HA TRP 49 2.527 -6.569 -0.837 392 1HB TRP 49 2HB TRP 49 0.367 -4.465 -0.559 393 2HB TRP 49 1HB TRP 49 2.097 -4.244 -0.325 394 HD1 TRP 49 HD1 TRP 49 2.732 -5.970 -3.135 395 HE1 TRP 49 HE1 TRP 49 2.488 -4.675 -5.345 396 HE3 TRP 49 HE3 TRP 49 -0.182 -2.112 -1.486 397 HZ2 TRP 49 HZ2 TRP 49 1.228 -2.318 -6.262 398 HZ3 TRP 49 HZ3 TRP 49 -0.855 -0.374 -3.092 399 HH2 TRP 49 HH2 TRP 49 -0.163 -0.475 -5.431 400 H TRP 50 H TRP 50 -0.761 -6.383 0.437 401 HA TRP 50 HA TRP 50 -0.154 -6.227 3.152 402 1HB TRP 50 2HB TRP 50 -2.392 -5.823 2.275 403 2HB TRP 50 1HB TRP 50 -2.525 -7.504 1.774 404 HD1 TRP 50 HD1 TRP 50 -3.796 -9.004 3.406 405 HE1 TRP 50 HE1 TRP 50 -4.424 -8.914 5.903 406 HE3 TRP 50 HE3 TRP 50 -1.298 -4.734 4.716 407 HZ2 TRP 50 HZ2 TRP 50 -3.913 -7.256 8.133 408 HZ3 TRP 50 HZ3 TRP 50 -1.420 -3.968 7.049 409 HH2 TRP 50 HH2 TRP 50 -2.701 -5.203 8.719 410 H GLU 51 H GLU 51 -0.719 -9.080 1.108 411 HA GLU 51 HA GLU 51 -0.409 -10.978 3.153 412 1HB GLU 51 2HB GLU 51 -0.628 -10.970 0.224 413 2HB GLU 51 1HB GLU 51 0.225 -12.350 0.895 414 1HG GLU 51 2HG GLU 51 -1.723 -12.677 2.436 415 2HG GLU 51 1HG GLU 51 -2.566 -11.436 1.518 416 H GLU 52 H GLU 52 1.932 -9.638 0.824 417 HA GLU 52 HA GLU 52 4.079 -11.290 1.530 418 1HB GLU 52 2HB GLU 52 4.048 -8.460 0.494 419 2HB GLU 52 1HB GLU 52 5.529 -9.365 0.761 420 1HG GLU 52 2HG GLU 52 4.702 -11.094 -0.801 421 2HG GLU 52 1HG GLU 52 3.313 -10.069 -1.137 422 H LEU 53 H LEU 53 2.934 -8.261 2.927 423 HA LEU 53 HA LEU 53 5.054 -7.882 4.746 424 1HB LEU 53 2HB LEU 53 3.387 -6.165 4.027 425 2HB LEU 53 1HB LEU 53 2.187 -6.969 5.015 426 HG LEU 53 HG LEU 53 4.707 -6.021 6.311 427 1HD1 LEU 53 1HD1 LEU 53 3.954 -4.135 4.945 428 2HD1 LEU 53 2HD1 LEU 53 3.719 -3.826 6.664 429 3HD1 LEU 53 3HD1 LEU 53 2.346 -4.271 5.651 430 1HD2 LEU 53 1HD2 LEU 53 3.116 -7.326 7.622 431 2HD2 LEU 53 2HD2 LEU 53 1.826 -6.200 7.197 432 3HD2 LEU 53 3HD2 LEU 53 3.174 -5.661 8.197 433 H GLN 54 H GLN 54 1.944 -9.550 5.046 434 HA GLN 54 HA GLN 54 2.180 -10.162 7.800 435 1HB GLN 54 2HB GLN 54 0.560 -11.450 5.603 436 2HB GLN 54 1HB GLN 54 0.367 -11.788 7.309 437 1HG GLN 54 2HG GLN 54 0.009 -9.069 6.093 438 2HG GLN 54 1HG GLN 54 -1.306 -10.211 6.355 439 1HE2 GLN 54 1HE2 GLN 54 0.967 -8.062 7.847 440 2HE2 GLN 54 2HE2 GLN 54 0.241 -8.042 9.414 441 H LYS 55 H LYS 55 3.178 -11.782 4.851 442 HA LYS 55 HA LYS 55 3.895 -14.218 6.283 443 1HB LYS 55 2HB LYS 55 2.758 -13.967 3.932 444 2HB LYS 55 1HB LYS 55 4.414 -13.772 3.376 445 1HG LYS 55 2HG LYS 55 5.008 -15.930 4.267 446 2HG LYS 55 1HG LYS 55 3.390 -16.130 4.940 447 1HD LYS 55 2HD LYS 55 2.467 -15.971 2.648 448 2HD LYS 55 1HD LYS 55 4.115 -15.902 2.025 449 1HE LYS 55 2HE LYS 55 4.570 -18.108 2.956 450 2HE LYS 55 1HE LYS 55 2.941 -18.171 3.627 451 1HZ LYS 55 1HZ LYS 55 2.054 -18.071 1.374 452 2HZ LYS 55 2HZ LYS 55 3.075 -19.411 1.566 453 3HZ LYS 55 3HZ LYS 55 3.626 -18.036 0.737 454 H ASN 56 H ASN 56 5.315 -11.370 6.013 455 HA ASN 56 HA ASN 56 8.013 -12.287 5.374 456 1HB ASN 56 2HB ASN 56 7.225 -10.090 4.511 457 2HB ASN 56 1HB ASN 56 7.030 -9.531 6.166 458 1HD2 ASN 56 1HD2 ASN 56 8.509 -7.932 6.181 459 2HD2 ASN 56 2HD2 ASN 56 10.207 -8.166 5.942 460 HA PRO 57 HA PRO 57 9.022 -13.194 9.662 461 1HB PRO 57 2HB PRO 57 11.695 -12.361 8.602 462 2HB PRO 57 1HB PRO 57 11.259 -13.777 9.569 463 1HG PRO 57 2HG PRO 57 11.708 -14.027 6.969 464 2HG PRO 57 1HG PRO 57 10.385 -14.919 7.743 465 1HD PRO 57 2HD PRO 57 10.279 -12.494 6.008 466 2HD PRO 57 1HD PRO 57 9.142 -13.852 6.125 467 HA PRO 58 HA PRO 58 8.992 -9.399 11.815 468 1HB PRO 58 2HB PRO 58 10.957 -9.796 13.730 469 2HB PRO 58 1HB PRO 58 9.290 -10.367 13.844 470 1HG PRO 58 2HG PRO 58 11.747 -11.839 12.992 471 2HG PRO 58 1HG PRO 58 10.388 -12.402 13.986 472 1HD PRO 58 2HD PRO 58 10.609 -13.105 11.415 473 2HD PRO 58 1HD PRO 58 9.026 -12.754 12.137 474 H TYR 59 H TYR 59 10.059 -7.451 12.234 475 HA TYR 59 HA TYR 59 12.240 -6.898 10.418 476 1HB TYR 59 2HB TYR 59 10.452 -5.291 10.496 477 2HB TYR 59 1HB TYR 59 10.569 -5.160 12.246 478 HD1 TYR 59 HD1 TYR 59 12.431 -4.447 9.099 479 HD2 TYR 59 HD2 TYR 59 11.925 -3.518 13.224 480 HE1 TYR 59 HE1 TYR 59 13.943 -2.525 8.847 481 HE2 TYR 59 HE2 TYR 59 13.437 -1.594 12.981 482 HH TYR 59 HH TYR 59 15.248 -0.862 11.499 483 H GLU 60 H GLU 60 14.300 -6.271 10.981 484 HA GLU 60 HA GLU 60 15.132 -6.958 13.688 485 1HB GLU 60 2HB GLU 60 16.443 -7.896 11.882 486 2HB GLU 60 1HB GLU 60 16.714 -6.299 11.201 487 1HG GLU 60 2HG GLU 60 17.925 -5.701 13.309 488 2HG GLU 60 1HG GLU 60 17.804 -7.397 13.780 Start of MODEL 14 1 1H MET 1 1H MET 1 -8.762 -4.715 7.255 2 2H MET 1 2H MET 1 -9.200 -5.963 6.194 3 3H MET 1 3H MET 1 -9.798 -4.398 5.950 4 HA MET 1 HA MET 1 -6.971 -5.254 5.714 5 1HB MET 1 2HB MET 1 -8.792 -5.791 3.904 6 2HB MET 1 1HB MET 1 -8.671 -4.078 3.535 7 1HG MET 1 2HG MET 1 -6.348 -5.995 3.493 8 2HG MET 1 1HG MET 1 -7.298 -5.535 2.084 9 1HE MET 1 1HE MET 1 -5.210 -4.733 0.727 10 2HE MET 1 2HE MET 1 -4.184 -5.267 2.058 11 3HE MET 1 3HE MET 1 -3.971 -3.655 1.374 12 H ILE 2 H ILE 2 -5.512 -3.669 5.916 13 HA ILE 2 HA ILE 2 -6.524 -0.905 6.057 14 HB ILE 2 HB ILE 2 -3.956 -1.839 7.348 15 1HG1 ILE 2 2HG1 ILE 2 -5.473 -1.529 9.503 16 2HG1 ILE 2 1HG1 ILE 2 -6.757 -1.979 8.387 17 1HG2 ILE 2 1HG2 ILE 2 -5.703 0.578 7.823 18 2HG2 ILE 2 2HG2 ILE 2 -4.188 0.553 6.919 19 3HG2 ILE 2 3HG2 ILE 2 -4.186 0.212 8.648 20 1HD1 ILE 2 1HD1 ILE 2 -4.313 -3.611 9.035 21 2HD1 ILE 2 2HD1 ILE 2 -5.559 -4.053 7.866 22 3HD1 ILE 2 3HD1 ILE 2 -5.963 -3.915 9.576 23 H LEU 3 H LEU 3 -5.941 0.271 4.338 24 HA LEU 3 HA LEU 3 -4.056 -0.526 2.414 25 1HB LEU 3 2HB LEU 3 -5.841 1.708 2.934 26 2HB LEU 3 1HB LEU 3 -4.356 2.219 2.176 27 HG LEU 3 HG LEU 3 -6.056 1.820 0.504 28 1HD1 LEU 3 1HD1 LEU 3 -4.859 0.263 -0.929 29 2HD1 LEU 3 2HD1 LEU 3 -3.955 -0.334 0.461 30 3HD1 LEU 3 3HD1 LEU 3 -3.736 1.330 -0.082 31 1HD2 LEU 3 1HD2 LEU 3 -6.978 -0.421 0.140 32 2HD2 LEU 3 2HD2 LEU 3 -7.420 0.214 1.725 33 3HD2 LEU 3 3HD2 LEU 3 -6.142 -0.992 1.584 34 H TYR 4 H TYR 4 -3.846 1.472 5.253 35 HA TYR 4 HA TYR 4 -1.506 2.876 4.862 36 1HB TYR 4 2HB TYR 4 -2.902 3.245 6.808 37 2HB TYR 4 1HB TYR 4 -2.575 1.621 7.399 38 HD1 TYR 4 HD1 TYR 4 -1.022 4.939 6.780 39 HD2 TYR 4 HD2 TYR 4 -0.683 1.174 8.738 40 HE1 TYR 4 HE1 TYR 4 0.850 5.808 8.118 41 HE2 TYR 4 HE2 TYR 4 1.192 2.030 10.076 42 HH TYR 4 HH TYR 4 2.895 3.801 9.951 43 H ASP 5 H ASP 5 -1.870 -0.401 6.178 44 HA ASP 5 HA ASP 5 0.841 -0.873 6.687 45 1HB ASP 5 2HB ASP 5 -1.463 -2.740 6.142 46 2HB ASP 5 1HB ASP 5 0.147 -3.314 6.552 47 H ALA 6 H ALA 6 -1.138 -1.814 3.900 48 HA ALA 6 HA ALA 6 0.866 -3.100 2.441 49 1HB ALA 6 1HB ALA 6 -1.515 -3.289 1.918 50 2HB ALA 6 2HB ALA 6 -0.580 -2.803 0.502 51 3HB ALA 6 3HB ALA 6 -1.534 -1.610 1.384 52 H ILE 7 H ILE 7 -0.178 0.300 2.343 53 HA ILE 7 HA ILE 7 1.597 1.055 0.267 54 HB ILE 7 HB ILE 7 0.292 2.784 2.375 55 1HG1 ILE 7 2HG1 ILE 7 -0.546 2.259 -0.488 56 2HG1 ILE 7 1HG1 ILE 7 -1.260 1.467 0.915 57 1HG2 ILE 7 1HG2 ILE 7 1.593 3.530 -0.246 58 2HG2 ILE 7 2HG2 ILE 7 2.202 3.899 1.367 59 3HG2 ILE 7 3HG2 ILE 7 0.702 4.633 0.803 60 1HD1 ILE 7 1HD1 ILE 7 -1.310 4.421 0.326 61 2HD1 ILE 7 2HD1 ILE 7 -2.019 3.640 1.739 62 3HD1 ILE 7 3HD1 ILE 7 -2.650 3.291 0.130 63 H MET 8 H MET 8 1.796 1.285 3.813 64 HA MET 8 HA MET 8 4.239 2.722 3.858 65 1HB MET 8 2HB MET 8 2.611 2.560 5.759 66 2HB MET 8 1HB MET 8 3.141 0.905 6.010 67 1HG MET 8 2HG MET 8 4.467 1.907 7.533 68 2HG MET 8 1HG MET 8 5.514 2.088 6.131 69 1HE MET 8 1HE MET 8 4.776 5.846 5.124 70 2HE MET 8 2HE MET 8 3.914 4.427 4.527 71 3HE MET 8 3HE MET 8 5.666 4.384 4.703 72 H TYR 9 H TYR 9 3.453 -0.676 3.728 73 HA TYR 9 HA TYR 9 5.993 -1.721 4.329 74 1HB TYR 9 2HB TYR 9 4.284 -3.303 4.379 75 2HB TYR 9 1HB TYR 9 3.595 -2.755 2.857 76 HD1 TYR 9 HD1 TYR 9 6.789 -4.282 4.113 77 HD2 TYR 9 HD2 TYR 9 3.856 -4.122 1.034 78 HE1 TYR 9 HE1 TYR 9 7.952 -6.090 2.916 79 HE2 TYR 9 HE2 TYR 9 5.011 -5.925 -0.170 80 HH TYR 9 HH TYR 9 6.952 -7.095 -0.318 81 H LYS 10 H LYS 10 4.488 -0.950 1.187 82 HA LYS 10 HA LYS 10 6.892 -1.768 -0.178 83 1HB LYS 10 2HB LYS 10 4.604 -2.164 -1.100 84 2HB LYS 10 1HB LYS 10 4.462 -0.430 -1.360 85 1HG LYS 10 2HG LYS 10 6.210 -0.433 -2.959 86 2HG LYS 10 1HG LYS 10 6.668 -2.086 -2.549 87 1HD LYS 10 2HD LYS 10 4.483 -2.867 -3.388 88 2HD LYS 10 1HD LYS 10 4.095 -1.210 -3.852 89 1HE LYS 10 2HE LYS 10 4.903 -2.555 -5.748 90 2HE LYS 10 1HE LYS 10 5.939 -1.171 -5.413 91 1HZ LYS 10 1HZ LYS 10 7.528 -2.582 -4.371 92 2HZ LYS 10 2HZ LYS 10 7.141 -3.275 -5.870 93 3HZ LYS 10 3HZ LYS 10 6.494 -3.925 -4.444 94 H TYR 11 H TYR 11 5.234 1.300 0.456 95 HA TYR 11 HA TYR 11 7.708 2.668 -0.380 96 1HB TYR 11 2HB TYR 11 4.865 3.647 -0.724 97 2HB TYR 11 1HB TYR 11 6.305 4.603 -1.052 98 HD1 TYR 11 HD1 TYR 11 3.901 2.401 -2.428 99 HD2 TYR 11 HD2 TYR 11 7.973 3.589 -2.792 100 HE1 TYR 11 HE1 TYR 11 3.954 1.504 -4.717 101 HE2 TYR 11 HE2 TYR 11 8.034 2.697 -5.083 102 HH TYR 11 HH TYR 11 6.812 0.969 -6.421 103 HA PRO 12 HA PRO 12 7.140 3.624 4.032 104 1HB PRO 12 2HB PRO 12 9.761 3.985 4.563 105 2HB PRO 12 1HB PRO 12 9.031 2.384 4.439 106 1HG PRO 12 2HG PRO 12 10.627 3.894 2.410 107 2HG PRO 12 1HG PRO 12 10.720 2.178 2.854 108 1HD PRO 12 2HD PRO 12 9.396 3.081 0.655 109 2HD PRO 12 1HD PRO 12 8.926 1.614 1.536 110 H ASN 13 H ASN 13 8.558 5.397 1.455 111 HA ASN 13 HA ASN 13 9.024 7.801 2.982 112 1HB ASN 13 2HB ASN 13 9.167 7.260 0.012 113 2HB ASN 13 1HB ASN 13 9.668 8.754 0.786 114 1HD2 ASN 13 1HD2 ASN 13 11.184 6.850 -0.802 115 2HD2 ASN 13 2HD2 ASN 13 12.499 6.318 0.197 116 H ALA 14 H ALA 14 6.286 6.396 1.980 117 HA ALA 14 HA ALA 14 4.980 8.734 0.871 118 1HB ALA 14 1HB ALA 14 4.432 6.555 -0.052 119 2HB ALA 14 2HB ALA 14 3.011 7.275 0.707 120 3HB ALA 14 3HB ALA 14 3.901 5.999 1.535 121 H VAL 15 H VAL 15 3.425 9.941 1.859 122 HA VAL 15 HA VAL 15 2.845 9.391 4.699 123 HB VAL 15 HB VAL 15 3.316 12.107 3.441 124 1HG1 VAL 15 1HG1 VAL 15 1.571 12.156 5.162 125 2HG1 VAL 15 2HG1 VAL 15 3.019 13.028 5.663 126 3HG1 VAL 15 3HG1 VAL 15 2.692 11.417 6.307 127 1HG2 VAL 15 1HG2 VAL 15 4.942 10.601 5.484 128 2HG2 VAL 15 2HG2 VAL 15 5.254 12.246 4.932 129 3HG2 VAL 15 3HG2 VAL 15 5.396 10.896 3.806 130 H SER 16 H SER 16 0.672 9.190 5.061 131 HA SER 16 HA SER 16 -1.081 9.845 2.841 132 1HB SER 16 2HB SER 16 -1.899 8.553 5.445 133 2HB SER 16 1HB SER 16 -2.687 8.423 3.872 134 HG SER 16 HG SER 16 -0.403 7.520 3.328 135 H ARG 17 H ARG 17 -0.003 11.977 4.247 136 HA ARG 17 HA ARG 17 -2.357 13.205 5.387 137 1HB ARG 17 2HB ARG 17 0.487 14.183 5.372 138 2HB ARG 17 1HB ARG 17 -0.876 15.095 6.012 139 1HG ARG 17 2HG ARG 17 -1.322 13.169 7.551 140 2HG ARG 17 1HG ARG 17 0.210 12.477 7.017 141 1HD ARG 17 2HD ARG 17 0.555 13.657 9.075 142 2HD ARG 17 1HD ARG 17 1.347 14.541 7.772 143 HE ARG 17 HE ARG 17 -0.650 16.033 7.813 144 1HH1 ARG 17 1HH1 ARG 17 0.151 14.115 10.630 145 2HH1 ARG 17 2HH1 ARG 17 -0.539 15.247 11.753 146 1HH2 ARG 17 1HH2 ARG 17 -1.576 17.520 9.291 147 2HH2 ARG 17 2HH2 ARG 17 -1.498 17.184 10.998 148 H LYS 18 H LYS 18 0.117 13.812 2.956 149 HA LYS 18 HA LYS 18 -1.476 16.000 1.839 150 1HB LYS 18 2HB LYS 18 1.450 15.351 1.462 151 2HB LYS 18 1HB LYS 18 0.626 16.801 0.931 152 1HG LYS 18 2HG LYS 18 0.397 17.605 3.132 153 2HG LYS 18 1HG LYS 18 0.837 16.040 3.824 154 1HD LYS 18 2HD LYS 18 3.089 16.257 2.945 155 2HD LYS 18 1HD LYS 18 2.665 17.780 2.172 156 1HE LYS 18 2HE LYS 18 2.285 18.801 4.338 157 2HE LYS 18 1HE LYS 18 2.615 17.265 5.139 158 1HZ LYS 18 1HZ LYS 18 4.866 17.346 4.170 159 2HZ LYS 18 2HZ LYS 18 4.560 18.624 5.242 160 3HZ LYS 18 3HZ LYS 18 4.539 18.898 3.569 161 H ASP 19 H ASP 19 0.947 13.707 0.615 162 HA ASP 19 HA ASP 19 0.359 13.893 -2.079 163 1HB ASP 19 2HB ASP 19 1.300 11.379 -0.680 164 2HB ASP 19 1HB ASP 19 1.606 11.847 -2.350 165 H PHE 20 H PHE 20 -0.952 11.769 0.352 166 HA PHE 20 HA PHE 20 -3.426 11.529 -1.062 167 1HB PHE 20 2HB PHE 20 -3.449 9.049 -1.079 168 2HB PHE 20 1HB PHE 20 -2.217 9.701 -2.150 169 HD1 PHE 20 HD1 PHE 20 -2.894 7.626 0.712 170 HD2 PHE 20 HD2 PHE 20 0.171 9.638 -1.447 171 HE1 PHE 20 HE1 PHE 20 -1.202 6.217 1.803 172 HE2 PHE 20 HE2 PHE 20 1.866 8.236 -0.354 173 HZ PHE 20 HZ PHE 20 1.179 6.520 1.272 174 H GLU 21 H GLU 21 -4.848 9.921 0.407 175 HA GLU 21 HA GLU 21 -4.002 9.971 3.175 176 1HB GLU 21 2HB GLU 21 -4.997 12.235 2.792 177 2HB GLU 21 1HB GLU 21 -6.514 11.448 2.378 178 1HG GLU 21 2HG GLU 21 -6.587 10.448 4.624 179 2HG GLU 21 1HG GLU 21 -5.101 11.301 5.032 180 H LEU 22 H LEU 22 -5.226 8.653 4.506 181 HA LEU 22 HA LEU 22 -7.056 6.837 3.083 182 1HB LEU 22 2HB LEU 22 -5.419 6.101 5.494 183 2HB LEU 22 1HB LEU 22 -6.245 5.033 4.382 184 HG LEU 22 HG LEU 22 -3.849 6.706 3.624 185 1HD1 LEU 22 1HD1 LEU 22 -3.997 3.789 4.351 186 2HD1 LEU 22 2HD1 LEU 22 -3.259 5.063 5.323 187 3HD1 LEU 22 3HD1 LEU 22 -2.576 4.643 3.752 188 1HD2 LEU 22 1HD2 LEU 22 -5.231 4.418 2.231 189 2HD2 LEU 22 2HD2 LEU 22 -3.770 5.238 1.679 190 3HD2 LEU 22 3HD2 LEU 22 -5.298 6.116 1.757 191 H ARG 23 H ARG 23 -8.899 6.190 4.165 192 HA ARG 23 HA ARG 23 -9.371 7.238 6.836 193 1HB ARG 23 2HB ARG 23 -10.686 8.259 4.423 194 2HB ARG 23 1HB ARG 23 -11.806 7.770 5.692 195 1HG ARG 23 2HG ARG 23 -10.939 9.301 7.214 196 2HG ARG 23 1HG ARG 23 -9.456 9.514 6.297 197 1HD ARG 23 2HD ARG 23 -11.018 10.470 4.460 198 2HD ARG 23 1HD ARG 23 -12.196 10.612 5.762 199 HE ARG 23 HE ARG 23 -9.537 11.898 5.899 200 1HH1 ARG 23 1HH1 ARG 23 -13.035 12.042 6.181 201 2HH1 ARG 23 2HH1 ARG 23 -13.044 13.691 6.742 202 1HH2 ARG 23 1HH2 ARG 23 -9.551 14.062 6.615 203 2HH2 ARG 23 2HH2 ARG 23 -11.065 14.848 6.967 204 H ASN 24 H ASN 24 -10.973 6.236 7.974 205 HA ASN 24 HA ASN 24 -11.351 3.470 7.114 206 1HB ASN 24 2HB ASN 24 -10.362 4.066 9.350 207 2HB ASN 24 1HB ASN 24 -11.937 4.693 9.813 208 1HD2 ASN 24 1HD2 ASN 24 -10.319 2.527 10.887 209 2HD2 ASN 24 2HD2 ASN 24 -11.338 1.125 10.838 210 H ASP 25 H ASP 25 -13.191 2.795 6.297 211 HA ASP 25 HA ASP 25 -15.601 4.427 6.563 212 1HB ASP 25 2HB ASP 25 -15.347 3.838 4.337 213 2HB ASP 25 1HB ASP 25 -14.716 2.238 4.721 214 H GLY 26 H GLY 26 -14.495 1.139 7.188 215 1HA GLY 26 2HA GLY 26 -15.703 0.218 9.283 216 2HA GLY 26 1HA GLY 26 -17.135 0.464 8.287 217 H ASN 27 H ASN 27 -16.024 -0.250 5.795 218 HA ASN 27 HA ASN 27 -15.800 -3.106 5.969 219 1HB ASN 27 2HB ASN 27 -16.831 -2.168 3.988 220 2HB ASN 27 1HB ASN 27 -15.417 -1.173 3.669 221 1HD2 ASN 27 1HD2 ASN 27 -16.803 -4.338 3.459 222 2HD2 ASN 27 2HD2 ASN 27 -15.579 -5.029 2.451 223 H GLY 28 H GLY 28 -13.734 -0.423 5.971 224 1HA GLY 28 2HA GLY 28 -11.477 -1.590 6.958 225 2HA GLY 28 1HA GLY 28 -11.319 -1.752 5.214 226 H SER 29 H SER 29 -9.376 -0.373 6.001 227 HA SER 29 HA SER 29 -10.119 2.473 5.887 228 1HB SER 29 2HB SER 29 -7.493 1.227 6.751 229 2HB SER 29 1HB SER 29 -7.917 2.937 6.838 230 HG SER 29 HG SER 29 -9.370 0.893 8.176 231 H TYR 30 H TYR 30 -10.032 3.246 3.862 232 HA TYR 30 HA TYR 30 -7.990 2.119 2.065 233 1HB TYR 30 2HB TYR 30 -9.571 2.262 0.216 234 2HB TYR 30 1HB TYR 30 -10.219 1.252 1.502 235 HD1 TYR 30 HD1 TYR 30 -11.975 2.264 3.051 236 HD2 TYR 30 HD2 TYR 30 -10.755 4.116 -0.578 237 HE1 TYR 30 HE1 TYR 30 -14.041 3.595 3.041 238 HE2 TYR 30 HE2 TYR 30 -12.812 5.461 -0.589 239 HH TYR 30 HH TYR 30 -15.185 5.173 0.376 240 H ILE 31 H ILE 31 -8.146 3.638 -0.088 241 HA ILE 31 HA ILE 31 -7.001 6.124 0.863 242 HB ILE 31 HB ILE 31 -7.265 5.268 -2.019 243 1HG1 ILE 31 2HG1 ILE 31 -5.045 4.519 -0.097 244 2HG1 ILE 31 1HG1 ILE 31 -6.268 3.410 -0.704 245 1HG2 ILE 31 1HG2 ILE 31 -5.219 6.588 -2.288 246 2HG2 ILE 31 2HG2 ILE 31 -5.247 6.977 -0.569 247 3HG2 ILE 31 3HG2 ILE 31 -6.536 7.557 -1.625 248 1HD1 ILE 31 1HD1 ILE 31 -5.436 3.736 -2.976 249 2HD1 ILE 31 2HD1 ILE 31 -4.178 3.137 -1.892 250 3HD1 ILE 31 3HD1 ILE 31 -4.204 4.837 -2.358 251 H GLU 32 H GLU 32 -8.071 8.004 0.934 252 HA GLU 32 HA GLU 32 -10.530 8.232 -0.670 253 1HB GLU 32 2HB GLU 32 -11.387 9.758 1.024 254 2HB GLU 32 1HB GLU 32 -10.952 8.213 1.737 255 1HG GLU 32 2HG GLU 32 -10.023 9.538 3.297 256 2HG GLU 32 1HG GLU 32 -8.669 9.535 2.170 257 H LYS 33 H LYS 33 -7.438 9.538 -0.080 258 HA LYS 33 HA LYS 33 -8.017 11.784 -1.887 259 1HB LYS 33 2HB LYS 33 -7.638 12.648 0.336 260 2HB LYS 33 1HB LYS 33 -6.202 11.655 0.524 261 1HG LYS 33 2HG LYS 33 -5.137 12.953 -1.291 262 2HG LYS 33 1HG LYS 33 -6.550 14.005 -1.305 263 1HD LYS 33 2HD LYS 33 -4.950 13.473 1.163 264 2HD LYS 33 1HD LYS 33 -4.575 14.778 0.052 265 1HE LYS 33 2HE LYS 33 -5.887 15.787 1.686 266 2HE LYS 33 1HE LYS 33 -7.005 15.500 0.361 267 1HZ LYS 33 1HZ LYS 33 -7.651 13.401 1.581 268 2HZ LYS 33 2HZ LYS 33 -8.105 14.854 2.316 269 3HZ LYS 33 3HZ LYS 33 -6.774 13.993 2.909 270 H TRP 34 H TRP 34 -6.509 12.097 -3.536 271 HA TRP 34 HA TRP 34 -4.071 10.534 -3.576 272 1HB TRP 34 2HB TRP 34 -5.943 9.016 -4.359 273 2HB TRP 34 1HB TRP 34 -6.136 10.092 -5.737 274 HD1 TRP 34 HD1 TRP 34 -4.601 9.671 -7.774 275 HE1 TRP 34 HE1 TRP 34 -2.673 8.040 -8.280 276 HE3 TRP 34 HE3 TRP 34 -3.860 7.816 -3.071 277 HZ2 TRP 34 HZ2 TRP 34 -1.044 6.222 -6.865 278 HZ3 TRP 34 HZ3 TRP 34 -2.097 6.136 -2.730 279 HH2 TRP 34 HH2 TRP 34 -0.717 5.354 -4.588 280 H ASN 35 H ASN 35 -2.642 12.037 -4.172 281 HA ASN 35 HA ASN 35 -3.360 13.806 -6.413 282 1HB ASN 35 2HB ASN 35 -1.444 14.326 -4.136 283 2HB ASN 35 1HB ASN 35 -1.680 15.396 -5.509 284 1HD2 ASN 35 1HD2 ASN 35 -2.874 14.343 -2.480 285 2HD2 ASN 35 2HD2 ASN 35 -4.203 15.453 -2.374 286 H LEU 36 H LEU 36 -1.657 11.143 -5.724 287 HA LEU 36 HA LEU 36 0.918 11.797 -6.776 288 1HB LEU 36 2HB LEU 36 -0.386 9.142 -6.191 289 2HB LEU 36 1HB LEU 36 1.269 9.318 -6.731 290 HG LEU 36 HG LEU 36 0.153 10.412 -4.158 291 1HD1 LEU 36 1HD1 LEU 36 0.337 7.989 -4.116 292 2HD1 LEU 36 2HD1 LEU 36 1.579 8.722 -3.099 293 3HD1 LEU 36 3HD1 LEU 36 2.000 8.094 -4.693 294 1HD2 LEU 36 1HD2 LEU 36 2.956 10.407 -5.264 295 2HD2 LEU 36 2HD2 LEU 36 2.501 10.919 -3.639 296 3HD2 LEU 36 3HD2 LEU 36 1.924 11.820 -5.042 297 H ARG 37 H ARG 37 1.880 11.016 -8.671 298 HA ARG 37 HA ARG 37 0.071 11.031 -10.943 299 1HB ARG 37 2HB ARG 37 3.088 10.999 -10.760 300 2HB ARG 37 1HB ARG 37 2.182 11.108 -12.264 301 1HG ARG 37 2HG ARG 37 1.227 13.221 -11.569 302 2HG ARG 37 1HG ARG 37 2.057 13.106 -10.016 303 1HD ARG 37 2HD ARG 37 4.200 13.245 -11.090 304 2HD ARG 37 1HD ARG 37 3.452 13.176 -12.686 305 HE ARG 37 HE ARG 37 2.330 15.355 -11.913 306 1HH1 ARG 37 1HH1 ARG 37 5.557 14.363 -10.959 307 2HH1 ARG 37 2HH1 ARG 37 6.150 15.990 -10.815 308 1HH2 ARG 37 1HH2 ARG 37 3.127 17.490 -11.740 309 2HH2 ARG 37 2HH2 ARG 37 4.776 17.752 -11.250 310 H ALA 38 H ALA 38 -0.361 8.783 -9.524 311 HA ALA 38 HA ALA 38 0.660 6.696 -11.307 312 1HB ALA 38 1HB ALA 38 0.512 6.426 -8.303 313 2HB ALA 38 2HB ALA 38 1.991 6.610 -9.247 314 3HB ALA 38 3HB ALA 38 0.993 5.170 -9.445 315 HA PRO 39 HA PRO 39 -3.664 5.623 -11.400 316 1HB PRO 39 2HB PRO 39 -3.401 3.103 -12.410 317 2HB PRO 39 1HB PRO 39 -3.287 4.561 -13.402 318 1HG PRO 39 2HG PRO 39 -1.101 2.866 -12.263 319 2HG PRO 39 1HG PRO 39 -1.220 3.613 -13.867 320 1HD PRO 39 2HD PRO 39 0.285 4.668 -11.882 321 2HD PRO 39 1HD PRO 39 -0.531 5.669 -13.102 322 H LEU 40 H LEU 40 -5.082 4.513 -10.106 323 HA LEU 40 HA LEU 40 -4.117 3.527 -7.647 324 1HB LEU 40 2HB LEU 40 -6.804 3.626 -8.960 325 2HB LEU 40 1HB LEU 40 -6.591 2.719 -7.484 326 HG LEU 40 HG LEU 40 -7.469 4.882 -6.940 327 1HD1 LEU 40 1HD1 LEU 40 -4.542 4.746 -6.240 328 2HD1 LEU 40 2HD1 LEU 40 -5.858 3.952 -5.375 329 3HD1 LEU 40 3HD1 LEU 40 -5.761 5.713 -5.408 330 1HD2 LEU 40 1HD2 LEU 40 -5.088 6.041 -8.382 331 2HD2 LEU 40 2HD2 LEU 40 -6.287 6.954 -7.464 332 3HD2 LEU 40 3HD2 LEU 40 -6.763 6.099 -8.932 333 HA PRO 41 HA PRO 41 -3.188 -0.667 -8.851 334 1HB PRO 41 2HB PRO 41 -3.028 -1.661 -6.302 335 2HB PRO 41 1HB PRO 41 -1.720 -0.777 -7.099 336 1HG PRO 41 2HG PRO 41 -3.758 0.210 -5.141 337 2HG PRO 41 1HG PRO 41 -2.021 0.560 -5.221 338 1HD PRO 41 2HD PRO 41 -3.850 2.305 -6.122 339 2HD PRO 41 1HD PRO 41 -2.284 2.100 -6.929 340 H THR 42 H THR 42 -4.101 -2.850 -8.454 341 HA THR 42 HA THR 42 -7.006 -2.581 -8.209 342 HB THR 42 HB THR 42 -7.053 -4.848 -9.304 343 HG1 THR 42 HG1 THR 42 -4.323 -4.345 -9.945 344 1HG2 THR 42 1HG2 THR 42 -6.536 -3.996 -11.534 345 2HG2 THR 42 2HG2 THR 42 -5.630 -2.659 -10.825 346 3HG2 THR 42 3HG2 THR 42 -7.372 -2.771 -10.576 347 H GLN 43 H GLN 43 -8.123 -4.643 -7.424 348 HA GLN 43 HA GLN 43 -7.765 -5.011 -4.712 349 1HB GLN 43 2HB GLN 43 -9.770 -5.669 -6.005 350 2HB GLN 43 1HB GLN 43 -8.879 -7.008 -6.695 351 1HG GLN 43 2HG GLN 43 -10.337 -7.763 -4.919 352 2HG GLN 43 1HG GLN 43 -8.647 -8.012 -4.491 353 1HE2 GLN 43 1HE2 GLN 43 -7.748 -6.833 -2.826 354 2HE2 GLN 43 2HE2 GLN 43 -8.707 -5.920 -1.712 355 H ALA 44 H ALA 44 -6.787 -7.266 -7.263 356 HA ALA 44 HA ALA 44 -5.442 -9.125 -5.696 357 1HB ALA 44 1HB ALA 44 -4.742 -8.313 -8.517 358 2HB ALA 44 2HB ALA 44 -6.003 -9.461 -8.069 359 3HB ALA 44 3HB ALA 44 -4.314 -9.830 -7.724 360 H GLU 45 H GLU 45 -4.157 -6.234 -7.299 361 HA GLU 45 HA GLU 45 -1.478 -6.533 -6.568 362 1HB GLU 45 2HB GLU 45 -3.159 -4.127 -7.219 363 2HB GLU 45 1HB GLU 45 -1.454 -3.973 -6.835 364 1HG GLU 45 2HG GLU 45 -0.856 -5.360 -8.705 365 2HG GLU 45 1HG GLU 45 -2.555 -5.692 -9.039 366 H LEU 46 H LEU 46 -4.116 -4.846 -4.894 367 HA LEU 46 HA LEU 46 -2.620 -3.839 -2.753 368 1HB LEU 46 2HB LEU 46 -5.520 -4.648 -2.942 369 2HB LEU 46 1HB LEU 46 -4.834 -3.782 -1.588 370 HG LEU 46 HG LEU 46 -4.956 -2.767 -4.425 371 1HD1 LEU 46 1HD1 LEU 46 -6.594 -1.173 -3.536 372 2HD1 LEU 46 2HD1 LEU 46 -6.528 -1.989 -1.974 373 3HD1 LEU 46 3HD1 LEU 46 -7.153 -2.839 -3.388 374 1HD2 LEU 46 1HD2 LEU 46 -3.000 -1.944 -3.203 375 2HD2 LEU 46 2HD2 LEU 46 -4.049 -1.405 -1.891 376 3HD2 LEU 46 3HD2 LEU 46 -4.174 -0.658 -3.485 377 H GLU 47 H GLU 47 -4.342 -6.914 -3.146 378 HA GLU 47 HA GLU 47 -3.824 -7.797 -0.497 379 1HB GLU 47 2HB GLU 47 -4.668 -9.307 -2.962 380 2HB GLU 47 1HB GLU 47 -4.559 -10.023 -1.358 381 1HG GLU 47 2HG GLU 47 -6.197 -8.379 -0.545 382 2HG GLU 47 1HG GLU 47 -6.344 -7.753 -2.186 383 H THR 48 H THR 48 -2.091 -8.023 -3.512 384 HA THR 48 HA THR 48 -0.286 -10.083 -2.834 385 HB THR 48 HB THR 48 0.163 -7.682 -4.633 386 HG1 THR 48 HG1 THR 48 -1.651 -9.112 -5.160 387 1HG2 THR 48 1HG2 THR 48 1.595 -10.338 -4.523 388 2HG2 THR 48 2HG2 THR 48 2.269 -8.773 -4.069 389 3HG2 THR 48 3HG2 THR 48 1.838 -9.096 -5.749 390 H TRP 49 H TRP 49 -0.108 -6.549 -2.394 391 HA TRP 49 HA TRP 49 2.464 -6.585 -1.197 392 1HB TRP 49 2HB TRP 49 0.273 -4.512 -0.951 393 2HB TRP 49 1HB TRP 49 1.955 -4.285 -0.482 394 HD1 TRP 49 HD1 TRP 49 3.122 -5.776 -3.173 395 HE1 TRP 49 HE1 TRP 49 3.113 -4.444 -5.376 396 HE3 TRP 49 HE3 TRP 49 -0.390 -2.269 -1.959 397 HZ2 TRP 49 HZ2 TRP 49 1.783 -2.187 -6.446 398 HZ3 TRP 49 HZ3 TRP 49 -0.971 -0.557 -3.626 399 HH2 TRP 49 HH2 TRP 49 0.095 -0.517 -5.821 400 H TRP 50 H TRP 50 -0.816 -6.723 0.084 401 HA TRP 50 HA TRP 50 -0.189 -6.675 2.820 402 1HB TRP 50 2HB TRP 50 -2.486 -6.488 1.957 403 2HB TRP 50 1HB TRP 50 -2.419 -8.154 1.396 404 HD1 TRP 50 HD1 TRP 50 -2.837 -10.063 3.168 405 HE1 TRP 50 HE1 TRP 50 -3.626 -10.064 5.621 406 HE3 TRP 50 HE3 TRP 50 -2.346 -5.073 4.171 407 HZ2 TRP 50 HZ2 TRP 50 -3.997 -8.193 7.697 408 HZ3 TRP 50 HZ3 TRP 50 -2.941 -4.262 6.418 409 HH2 TRP 50 HH2 TRP 50 -3.748 -5.789 8.142 410 H GLU 51 H GLU 51 -0.556 -9.403 0.568 411 HA GLU 51 HA GLU 51 0.056 -11.469 2.326 412 1HB GLU 51 2HB GLU 51 0.002 -11.093 -0.610 413 2HB GLU 51 1HB GLU 51 0.944 -12.448 -0.030 414 1HG GLU 51 2HG GLU 51 -1.083 -13.159 1.276 415 2HG GLU 51 1HG GLU 51 -1.976 -11.915 0.400 416 H GLU 52 H GLU 52 2.208 -9.508 0.296 417 HA GLU 52 HA GLU 52 4.582 -10.863 0.931 418 1HB GLU 52 2HB GLU 52 4.043 -8.032 0.077 419 2HB GLU 52 1HB GLU 52 5.673 -8.625 0.370 420 1HG GLU 52 2HG GLU 52 5.312 -10.371 -1.323 421 2HG GLU 52 1HG GLU 52 3.722 -9.691 -1.658 422 H LEU 53 H LEU 53 3.027 -8.065 2.470 423 HA LEU 53 HA LEU 53 4.983 -7.573 4.409 424 1HB LEU 53 2HB LEU 53 3.192 -6.002 3.928 425 2HB LEU 53 1HB LEU 53 1.996 -7.145 4.506 426 HG LEU 53 HG LEU 53 2.978 -6.971 6.780 427 1HD1 LEU 53 1HD1 LEU 53 5.231 -6.317 6.215 428 2HD1 LEU 53 2HD1 LEU 53 4.502 -5.090 7.250 429 3HD1 LEU 53 3HD1 LEU 53 4.651 -4.808 5.515 430 1HD2 LEU 53 1HD2 LEU 53 2.064 -4.395 5.505 431 2HD2 LEU 53 2HD2 LEU 53 2.115 -4.705 7.240 432 3HD2 LEU 53 3HD2 LEU 53 1.039 -5.647 6.209 433 H GLN 54 H GLN 54 2.392 -9.936 4.298 434 HA GLN 54 HA GLN 54 2.604 -10.625 7.072 435 1HB GLN 54 2HB GLN 54 1.180 -11.996 4.799 436 2HB GLN 54 1HB GLN 54 0.986 -12.369 6.496 437 1HG GLN 54 2HG GLN 54 0.284 -9.762 5.185 438 2HG GLN 54 1HG GLN 54 -0.854 -11.022 5.648 439 1HE2 GLN 54 1HE2 GLN 54 1.249 -8.513 6.754 440 2HE2 GLN 54 2HE2 GLN 54 0.634 -8.415 8.370 441 H LYS 55 H LYS 55 3.716 -11.989 3.997 442 HA LYS 55 HA LYS 55 4.634 -14.427 5.253 443 1HB LYS 55 2HB LYS 55 4.892 -13.429 2.434 444 2HB LYS 55 1HB LYS 55 5.384 -15.019 2.978 445 1HG LYS 55 2HG LYS 55 3.115 -15.611 3.489 446 2HG LYS 55 1HG LYS 55 2.572 -13.966 3.146 447 1HD LYS 55 2HD LYS 55 3.467 -14.292 0.812 448 2HD LYS 55 1HD LYS 55 3.656 -16.001 1.211 449 1HE LYS 55 2HE LYS 55 1.279 -16.185 1.654 450 2HE LYS 55 1HE LYS 55 1.067 -14.458 1.366 451 1HZ LYS 55 1HZ LYS 55 0.423 -15.513 -0.603 452 2HZ LYS 55 2HZ LYS 55 1.759 -16.566 -0.595 453 3HZ LYS 55 3HZ LYS 55 1.982 -14.920 -0.928 454 H ASN 56 H ASN 56 5.928 -11.408 4.560 455 HA ASN 56 HA ASN 56 8.674 -12.421 4.537 456 1HB ASN 56 2HB ASN 56 7.528 -9.718 3.843 457 2HB ASN 56 1HB ASN 56 9.257 -10.003 4.001 458 1HD2 ASN 56 1HD2 ASN 56 7.689 -9.188 1.681 459 2HD2 ASN 56 2HD2 ASN 56 8.003 -10.368 0.460 460 HA PRO 57 HA PRO 57 9.495 -11.335 8.757 461 1HB PRO 57 2HB PRO 57 12.148 -10.505 7.701 462 2HB PRO 57 1HB PRO 57 11.757 -11.645 8.995 463 1HG PRO 57 2HG PRO 57 12.597 -12.513 6.619 464 2HG PRO 57 1HG PRO 57 11.339 -13.381 7.517 465 1HD PRO 57 2HD PRO 57 11.073 -11.559 5.162 466 2HD PRO 57 1HD PRO 57 10.195 -13.056 5.535 467 HA PRO 58 HA PRO 58 8.683 -6.997 8.612 468 1HB PRO 58 2HB PRO 58 8.874 -6.457 11.261 469 2HB PRO 58 1HB PRO 58 7.498 -7.308 10.554 470 1HG PRO 58 2HG PRO 58 9.881 -8.417 11.984 471 2HG PRO 58 1HG PRO 58 8.175 -8.876 12.135 472 1HD PRO 58 2HD PRO 58 9.954 -10.302 10.673 473 2HD PRO 58 1HD PRO 58 8.234 -10.190 10.245 474 H TYR 59 H TYR 59 9.602 -4.930 9.403 475 HA TYR 59 HA TYR 59 12.231 -4.459 8.790 476 1HB TYR 59 2HB TYR 59 10.532 -2.713 9.063 477 2HB TYR 59 1HB TYR 59 10.488 -3.003 10.794 478 HD1 TYR 59 HD1 TYR 59 11.903 -1.820 12.227 479 HD2 TYR 59 HD2 TYR 59 12.718 -1.851 8.049 480 HE1 TYR 59 HE1 TYR 59 13.606 -0.078 12.553 481 HE2 TYR 59 HE2 TYR 59 14.428 -0.112 8.364 482 HH TYR 59 HH TYR 59 15.519 0.860 11.496 483 H GLU 60 H GLU 60 14.124 -4.951 9.706 484 HA GLU 60 HA GLU 60 14.106 -6.228 12.323 485 1HB GLU 60 2HB GLU 60 15.274 -7.277 10.388 486 2HB GLU 60 1HB GLU 60 16.378 -5.911 10.346 487 1HG GLU 60 2HG GLU 60 17.250 -6.477 12.509 488 2HG GLU 60 1HG GLU 60 16.047 -7.752 12.702 Start of MODEL 15 1 1H MET 1 1H MET 1 -9.753 -4.232 6.022 2 2H MET 1 2H MET 1 -9.988 -5.285 4.720 3 3H MET 1 3H MET 1 -10.098 -3.611 4.482 4 HA MET 1 HA MET 1 -7.654 -5.109 5.243 5 1HB MET 1 2HB MET 1 -8.285 -5.503 2.925 6 2HB MET 1 1HB MET 1 -8.485 -3.778 2.653 7 1HG MET 1 2HG MET 1 -6.082 -3.457 3.083 8 2HG MET 1 1HG MET 1 -5.902 -5.201 3.266 9 1HE MET 1 1HE MET 1 -3.938 -4.990 1.438 10 2HE MET 1 2HE MET 1 -4.261 -3.272 1.215 11 3HE MET 1 3HE MET 1 -4.180 -4.343 -0.183 12 H ILE 2 H ILE 2 -5.918 -3.889 5.859 13 HA ILE 2 HA ILE 2 -6.376 -1.018 6.180 14 HB ILE 2 HB ILE 2 -4.124 -2.704 7.268 15 1HG1 ILE 2 2HG1 ILE 2 -5.296 -2.066 9.493 16 2HG1 ILE 2 1HG1 ILE 2 -6.698 -1.730 8.486 17 1HG2 ILE 2 1HG2 ILE 2 -4.851 0.171 7.796 18 2HG2 ILE 2 2HG2 ILE 2 -3.435 -0.408 6.919 19 3HG2 ILE 2 3HG2 ILE 2 -3.596 -0.732 8.646 20 1HD1 ILE 2 1HD1 ILE 2 -6.839 -3.942 9.445 21 2HD1 ILE 2 2HD1 ILE 2 -5.280 -4.372 8.742 22 3HD1 ILE 2 3HD1 ILE 2 -6.660 -4.051 7.693 23 H LEU 3 H LEU 3 -5.838 0.114 4.473 24 HA LEU 3 HA LEU 3 -4.067 -0.784 2.452 25 1HB LEU 3 2HB LEU 3 -5.954 1.362 2.891 26 2HB LEU 3 1HB LEU 3 -4.523 1.917 2.060 27 HG LEU 3 HG LEU 3 -6.252 1.305 0.479 28 1HD1 LEU 3 1HD1 LEU 3 -4.984 -0.255 -0.903 29 2HD1 LEU 3 2HD1 LEU 3 -3.973 -0.663 0.483 30 3HD1 LEU 3 3HD1 LEU 3 -3.937 0.969 -0.184 31 1HD2 LEU 3 1HD2 LEU 3 -7.016 -1.014 0.278 32 2HD2 LEU 3 2HD2 LEU 3 -7.438 -0.322 1.845 33 3HD2 LEU 3 3HD2 LEU 3 -6.082 -1.441 1.710 34 H TYR 4 H TYR 4 -3.775 1.382 5.161 35 HA TYR 4 HA TYR 4 -1.719 3.033 4.391 36 1HB TYR 4 2HB TYR 4 -2.878 3.406 6.474 37 2HB TYR 4 1HB TYR 4 -2.278 1.886 7.132 38 HD1 TYR 4 HD1 TYR 4 -1.163 5.226 5.927 39 HD2 TYR 4 HD2 TYR 4 -0.248 1.821 8.305 40 HE1 TYR 4 HE1 TYR 4 0.797 6.394 6.832 41 HE2 TYR 4 HE2 TYR 4 1.715 2.985 9.227 42 HH TYR 4 HH TYR 4 3.262 4.865 8.454 43 H ASP 5 H ASP 5 -1.373 -0.093 6.055 44 HA ASP 5 HA ASP 5 1.415 -0.108 6.200 45 1HB ASP 5 2HB ASP 5 -0.623 -2.321 6.104 46 2HB ASP 5 1HB ASP 5 1.094 -2.645 6.275 47 H ALA 6 H ALA 6 -0.741 -1.445 3.750 48 HA ALA 6 HA ALA 6 1.218 -2.587 2.109 49 1HB ALA 6 1HB ALA 6 -1.431 -1.484 1.191 50 2HB ALA 6 2HB ALA 6 -1.233 -3.035 2.007 51 3HB ALA 6 3HB ALA 6 -0.478 -2.762 0.439 52 H ILE 7 H ILE 7 -0.328 0.620 1.940 53 HA ILE 7 HA ILE 7 1.071 1.483 -0.361 54 HB ILE 7 HB ILE 7 -0.144 3.171 1.832 55 1HG1 ILE 7 2HG1 ILE 7 -1.305 2.272 -0.819 56 2HG1 ILE 7 1HG1 ILE 7 -1.745 1.616 0.755 57 1HG2 ILE 7 1HG2 ILE 7 1.411 4.460 0.509 58 2HG2 ILE 7 2HG2 ILE 7 -0.238 4.925 0.093 59 3HG2 ILE 7 3HG2 ILE 7 0.679 3.872 -0.984 60 1HD1 ILE 7 1HD1 ILE 7 -2.616 3.788 1.426 61 2HD1 ILE 7 2HD1 ILE 7 -3.396 3.215 -0.047 62 3HD1 ILE 7 3HD1 ILE 7 -2.155 4.464 -0.138 63 H MET 8 H MET 8 1.700 1.854 3.098 64 HA MET 8 HA MET 8 3.978 3.505 2.891 65 1HB MET 8 2HB MET 8 2.708 3.146 4.982 66 2HB MET 8 1HB MET 8 3.275 1.483 5.029 67 1HG MET 8 2HG MET 8 4.807 2.351 6.422 68 2HG MET 8 1HG MET 8 5.633 2.745 4.919 69 1HE MET 8 1HE MET 8 5.689 5.207 3.851 70 2HE MET 8 2HE MET 8 4.719 6.543 4.472 71 3HE MET 8 3HE MET 8 3.930 5.134 3.761 72 H TYR 9 H TYR 9 3.485 0.099 2.543 73 HA TYR 9 HA TYR 9 6.197 -0.707 2.800 74 1HB TYR 9 2HB TYR 9 4.367 -2.281 3.129 75 2HB TYR 9 1HB TYR 9 3.841 -2.060 1.467 76 HD1 TYR 9 HD1 TYR 9 6.967 -2.996 3.301 77 HD2 TYR 9 HD2 TYR 9 4.391 -3.740 -0.005 78 HE1 TYR 9 HE1 TYR 9 8.390 -4.884 2.622 79 HE2 TYR 9 HE2 TYR 9 5.809 -5.627 -0.693 80 HH TYR 9 HH TYR 9 8.084 -6.421 -0.413 81 H LYS 10 H LYS 10 4.180 0.294 0.085 82 HA LYS 10 HA LYS 10 6.285 -0.330 -1.814 83 1HB LYS 10 2HB LYS 10 3.853 -0.654 -2.343 84 2HB LYS 10 1HB LYS 10 3.674 1.096 -2.336 85 1HG LYS 10 2HG LYS 10 5.207 1.301 -4.191 86 2HG LYS 10 1HG LYS 10 5.512 -0.437 -4.163 87 1HD LYS 10 2HD LYS 10 3.101 -0.810 -4.640 88 2HD LYS 10 1HD LYS 10 2.902 0.936 -4.800 89 1HE LYS 10 2HE LYS 10 4.450 0.972 -6.665 90 2HE LYS 10 1HE LYS 10 4.773 -0.748 -6.462 91 1HZ LYS 10 1HZ LYS 10 3.216 -0.353 -8.258 92 2HZ LYS 10 2HZ LYS 10 2.153 0.444 -7.211 93 3HZ LYS 10 3HZ LYS 10 2.461 -1.215 -7.011 94 H TYR 11 H TYR 11 4.867 2.531 -0.301 95 HA TYR 11 HA TYR 11 7.083 4.100 -1.432 96 1HB TYR 11 2HB TYR 11 4.222 5.034 -1.105 97 2HB TYR 11 1HB TYR 11 5.572 6.051 -1.591 98 HD1 TYR 11 HD1 TYR 11 2.935 3.988 -2.735 99 HD2 TYR 11 HD2 TYR 11 6.863 5.289 -3.726 100 HE1 TYR 11 HE1 TYR 11 2.545 3.361 -5.082 101 HE2 TYR 11 HE2 TYR 11 6.482 4.676 -6.074 102 HH TYR 11 HH TYR 11 3.442 3.982 -7.336 103 HA PRO 12 HA PRO 12 7.219 4.515 3.116 104 1HB PRO 12 2HB PRO 12 9.899 4.495 3.338 105 2HB PRO 12 1HB PRO 12 8.964 3.015 3.127 106 1HG PRO 12 2HG PRO 12 10.501 4.580 1.101 107 2HG PRO 12 1HG PRO 12 10.424 2.823 1.334 108 1HD PRO 12 2HD PRO 12 8.981 4.160 -0.564 109 2HD PRO 12 1HD PRO 12 8.455 2.635 0.173 110 H ASN 13 H ASN 13 8.644 6.393 0.562 111 HA ASN 13 HA ASN 13 9.410 8.549 2.352 112 1HB ASN 13 2HB ASN 13 9.712 8.149 -0.620 113 2HB ASN 13 1HB ASN 13 10.139 9.648 0.184 114 1HD2 ASN 13 1HD2 ASN 13 11.010 6.374 -0.408 115 2HD2 ASN 13 2HD2 ASN 13 12.558 6.403 0.381 116 H ALA 14 H ALA 14 6.552 7.610 1.252 117 HA ALA 14 HA ALA 14 5.568 10.210 0.387 118 1HB ALA 14 1HB ALA 14 4.760 8.233 -0.777 119 2HB ALA 14 2HB ALA 14 3.438 9.058 0.050 120 3HB ALA 14 3HB ALA 14 4.125 7.585 0.736 121 H VAL 15 H VAL 15 4.002 11.404 1.533 122 HA VAL 15 HA VAL 15 4.197 10.983 4.427 123 HB VAL 15 HB VAL 15 3.125 13.384 2.947 124 1HG1 VAL 15 1HG1 VAL 15 3.959 13.013 5.829 125 2HG1 VAL 15 2HG1 VAL 15 2.311 13.221 5.239 126 3HG1 VAL 15 3HG1 VAL 15 3.469 14.544 5.102 127 1HG2 VAL 15 1HG2 VAL 15 5.287 14.438 3.436 128 2HG2 VAL 15 2HG2 VAL 15 5.466 13.034 2.384 129 3HG2 VAL 15 3HG2 VAL 15 5.876 12.911 4.095 130 H SER 16 H SER 16 2.561 10.288 5.621 131 HA SER 16 HA SER 16 0.143 9.375 4.558 132 1HB SER 16 2HB SER 16 0.639 10.092 7.452 133 2HB SER 16 1HB SER 16 -0.461 8.866 6.817 134 HG SER 16 HG SER 16 1.243 7.660 7.280 135 H ARG 17 H ARG 17 -1.870 10.230 4.411 136 HA ARG 17 HA ARG 17 -3.583 11.687 4.397 137 1HB ARG 17 2HB ARG 17 -2.413 12.122 6.884 138 2HB ARG 17 1HB ARG 17 -2.617 13.732 6.202 139 1HG ARG 17 2HG ARG 17 -4.994 13.063 5.689 140 2HG ARG 17 1HG ARG 17 -4.715 11.649 6.701 141 1HD ARG 17 2HD ARG 17 -4.198 13.053 8.597 142 2HD ARG 17 1HD ARG 17 -4.347 14.500 7.603 143 HE ARG 17 HE ARG 17 -6.620 12.702 8.198 144 1HH1 ARG 17 1HH1 ARG 17 -5.242 15.901 7.786 145 2HH1 ARG 17 2HH1 ARG 17 -6.750 16.728 8.069 146 1HH2 ARG 17 1HH2 ARG 17 -8.607 13.802 8.592 147 2HH2 ARG 17 2HH2 ARG 17 -8.646 15.534 8.523 148 H LYS 18 H LYS 18 -0.541 12.425 3.424 149 HA LYS 18 HA LYS 18 -1.366 15.006 2.274 150 1HB LYS 18 2HB LYS 18 0.633 15.070 3.752 151 2HB LYS 18 1HB LYS 18 1.439 13.944 2.668 152 1HG LYS 18 2HG LYS 18 1.337 15.567 0.869 153 2HG LYS 18 1HG LYS 18 0.469 16.691 1.917 154 1HD LYS 18 2HD LYS 18 2.408 16.726 3.437 155 2HD LYS 18 1HD LYS 18 3.275 15.665 2.326 156 1HE LYS 18 2HE LYS 18 3.933 17.983 1.996 157 2HE LYS 18 1HE LYS 18 3.103 17.360 0.570 158 1HZ LYS 18 1HZ LYS 18 1.907 19.085 2.675 159 2HZ LYS 18 2HZ LYS 18 1.073 18.459 1.337 160 3HZ LYS 18 3HZ LYS 18 2.333 19.568 1.106 161 H ASP 19 H ASP 19 0.831 12.301 1.478 162 HA ASP 19 HA ASP 19 0.274 12.648 -1.350 163 1HB ASP 19 2HB ASP 19 2.017 10.681 0.145 164 2HB ASP 19 1HB ASP 19 1.857 10.713 -1.608 165 H PHE 20 H PHE 20 -0.363 10.337 1.220 166 HA PHE 20 HA PHE 20 -2.626 9.389 -0.369 167 1HB PHE 20 2HB PHE 20 -2.302 7.088 0.497 168 2HB PHE 20 1HB PHE 20 -0.992 7.618 -0.544 169 HD1 PHE 20 HD1 PHE 20 1.165 8.404 0.563 170 HD2 PHE 20 HD2 PHE 20 -1.890 6.291 2.643 171 HE1 PHE 20 HE1 PHE 20 2.786 7.775 2.295 172 HE2 PHE 20 HE2 PHE 20 -0.269 5.668 4.386 173 HZ PHE 20 HZ PHE 20 2.074 6.409 4.213 174 H GLU 21 H GLU 21 -4.375 9.950 0.621 175 HA GLU 21 HA GLU 21 -4.367 10.299 3.527 176 1HB GLU 21 2HB GLU 21 -5.156 12.161 2.142 177 2HB GLU 21 1HB GLU 21 -6.377 11.122 1.427 178 1HG GLU 21 2HG GLU 21 -7.532 10.950 3.523 179 2HG GLU 21 1HG GLU 21 -6.248 11.841 4.343 180 H LEU 22 H LEU 22 -5.824 9.198 4.868 181 HA LEU 22 HA LEU 22 -6.792 6.707 3.648 182 1HB LEU 22 2HB LEU 22 -6.130 7.202 6.541 183 2HB LEU 22 1HB LEU 22 -6.493 5.663 5.792 184 HG LEU 22 HG LEU 22 -4.058 7.329 5.161 185 1HD1 LEU 22 1HD1 LEU 22 -3.989 6.501 7.450 186 2HD1 LEU 22 2HD1 LEU 22 -2.825 5.648 6.435 187 3HD1 LEU 22 3HD1 LEU 22 -4.344 4.871 6.882 188 1HD2 LEU 22 1HD2 LEU 22 -4.754 5.915 3.308 189 2HD2 LEU 22 2HD2 LEU 22 -4.833 4.519 4.381 190 3HD2 LEU 22 3HD2 LEU 22 -3.280 5.284 4.044 191 H ARG 23 H ARG 23 -8.721 5.802 4.326 192 HA ARG 23 HA ARG 23 -10.523 7.465 5.956 193 1HB ARG 23 2HB ARG 23 -11.102 7.726 3.556 194 2HB ARG 23 1HB ARG 23 -11.269 5.986 3.419 195 1HG ARG 23 2HG ARG 23 -13.150 6.036 4.963 196 2HG ARG 23 1HG ARG 23 -12.962 7.785 5.139 197 1HD ARG 23 2HD ARG 23 -13.284 7.981 2.669 198 2HD ARG 23 1HD ARG 23 -13.671 6.263 2.638 199 HE ARG 23 HE ARG 23 -15.502 6.963 4.305 200 1HH1 ARG 23 1HH1 ARG 23 -14.273 8.993 1.740 201 2HH1 ARG 23 2HH1 ARG 23 -15.791 9.793 1.455 202 1HH2 ARG 23 1HH2 ARG 23 -17.525 8.026 3.952 203 2HH2 ARG 23 2HH2 ARG 23 -17.638 9.249 2.715 204 H ASN 24 H ASN 24 -11.212 6.316 7.658 205 HA ASN 24 HA ASN 24 -10.906 3.409 7.563 206 1HB ASN 24 2HB ASN 24 -9.855 4.582 9.444 207 2HB ASN 24 1HB ASN 24 -11.422 5.234 9.919 208 1HD2 ASN 24 1HD2 ASN 24 -11.398 4.276 11.921 209 2HD2 ASN 24 2HD2 ASN 24 -11.577 2.564 12.144 210 H ASP 25 H ASP 25 -12.581 2.234 7.069 211 HA ASP 25 HA ASP 25 -15.284 3.308 7.417 212 1HB ASP 25 2HB ASP 25 -14.654 2.408 5.217 213 2HB ASP 25 1HB ASP 25 -14.296 0.849 5.951 214 H GLY 26 H GLY 26 -13.115 1.361 9.045 215 1HA GLY 26 2HA GLY 26 -13.692 0.340 11.151 216 2HA GLY 26 1HA GLY 26 -15.281 -0.029 10.487 217 H ASN 27 H ASN 27 -14.764 -1.167 8.127 218 HA ASN 27 HA ASN 27 -13.692 -3.725 8.741 219 1HB ASN 27 2HB ASN 27 -15.507 -3.369 7.085 220 2HB ASN 27 1HB ASN 27 -14.365 -2.531 6.041 221 1HD2 ASN 27 1HD2 ASN 27 -12.974 -3.710 4.780 222 2HD2 ASN 27 2HD2 ASN 27 -13.023 -5.438 4.675 223 H GLY 28 H GLY 28 -12.369 -0.804 7.737 224 1HA GLY 28 2HA GLY 28 -9.746 -1.435 8.080 225 2HA GLY 28 1HA GLY 28 -10.055 -1.829 6.395 226 H SER 29 H SER 29 -8.245 0.120 7.232 227 HA SER 29 HA SER 29 -9.536 2.638 6.480 228 1HB SER 29 2HB SER 29 -6.687 2.142 7.395 229 2HB SER 29 1HB SER 29 -7.466 3.711 7.198 230 HG SER 29 HG SER 29 -8.496 1.737 8.962 231 H TYR 30 H TYR 30 -9.674 2.909 4.337 232 HA TYR 30 HA TYR 30 -7.476 1.877 2.674 233 1HB TYR 30 2HB TYR 30 -9.154 1.788 0.825 234 2HB TYR 30 1HB TYR 30 -9.501 0.703 2.163 235 HD1 TYR 30 HD1 TYR 30 -11.443 1.040 3.567 236 HD2 TYR 30 HD2 TYR 30 -10.562 3.733 0.397 237 HE1 TYR 30 HE1 TYR 30 -13.714 1.966 3.729 238 HE2 TYR 30 HE2 TYR 30 -12.826 4.667 0.555 239 HH TYR 30 HH TYR 30 -15.052 3.935 1.343 240 H ILE 31 H ILE 31 -8.115 3.172 0.304 241 HA ILE 31 HA ILE 31 -6.766 5.643 0.824 242 HB ILE 31 HB ILE 31 -7.831 4.612 -1.809 243 1HG1 ILE 31 2HG1 ILE 31 -5.067 4.291 -0.616 244 2HG1 ILE 31 1HG1 ILE 31 -6.283 3.017 -0.681 245 1HG2 ILE 31 1HG2 ILE 31 -6.153 6.080 -2.800 246 2HG2 ILE 31 2HG2 ILE 31 -5.681 6.642 -1.196 247 3HG2 ILE 31 3HG2 ILE 31 -7.295 6.995 -1.816 248 1HD1 ILE 31 1HD1 ILE 31 -6.230 3.118 -3.129 249 2HD1 ILE 31 2HD1 ILE 31 -4.648 2.749 -2.445 250 3HD1 ILE 31 3HD1 ILE 31 -4.993 4.372 -3.047 251 H GLU 32 H GLU 32 -7.682 7.493 1.254 252 HA GLU 32 HA GLU 32 -10.419 8.082 0.398 253 1HB GLU 32 2HB GLU 32 -9.882 8.611 2.710 254 2HB GLU 32 1HB GLU 32 -8.475 9.529 2.213 255 1HG GLU 32 2HG GLU 32 -10.162 11.072 2.828 256 2HG GLU 32 1HG GLU 32 -10.002 11.131 1.076 257 H LYS 33 H LYS 33 -7.265 9.711 0.441 258 HA LYS 33 HA LYS 33 -7.980 11.045 -2.083 259 1HB LYS 33 2HB LYS 33 -7.842 12.435 0.092 260 2HB LYS 33 1HB LYS 33 -6.109 12.179 -0.013 261 1HG LYS 33 2HG LYS 33 -6.528 14.276 -0.974 262 2HG LYS 33 1HG LYS 33 -6.227 13.186 -2.321 263 1HD LYS 33 2HD LYS 33 -8.082 14.428 -2.980 264 2HD LYS 33 1HD LYS 33 -8.748 12.901 -2.423 265 1HE LYS 33 2HE LYS 33 -8.559 15.338 -0.672 266 2HE LYS 33 1HE LYS 33 -9.960 14.982 -1.670 267 1HZ LYS 33 1HZ LYS 33 -10.399 14.183 0.508 268 2HZ LYS 33 2HZ LYS 33 -8.913 13.377 0.604 269 3HZ LYS 33 3HZ LYS 33 -10.116 12.820 -0.459 270 H TRP 34 H TRP 34 -6.734 10.377 -3.707 271 HA TRP 34 HA TRP 34 -4.066 9.315 -3.120 272 1HB TRP 34 2HB TRP 34 -5.708 7.968 -4.475 273 2HB TRP 34 1HB TRP 34 -5.633 9.216 -5.711 274 HD1 TRP 34 HD1 TRP 34 -3.803 8.953 -7.500 275 HE1 TRP 34 HE1 TRP 34 -1.806 7.363 -7.847 276 HE3 TRP 34 HE3 TRP 34 -3.811 6.643 -2.937 277 HZ2 TRP 34 HZ2 TRP 34 -0.418 5.399 -6.375 278 HZ3 TRP 34 HZ3 TRP 34 -2.112 4.921 -2.489 279 HH2 TRP 34 HH2 TRP 34 -0.451 4.314 -4.174 280 H ASN 35 H ASN 35 -2.490 10.787 -3.215 281 HA ASN 35 HA ASN 35 -2.789 13.030 -5.113 282 1HB ASN 35 2HB ASN 35 -2.743 13.305 -2.461 283 2HB ASN 35 1HB ASN 35 -1.005 13.248 -2.732 284 1HD2 ASN 35 1HD2 ASN 35 -2.737 15.401 -1.789 285 2HD2 ASN 35 2HD2 ASN 35 -2.475 16.731 -2.865 286 H LEU 36 H LEU 36 -1.377 10.241 -5.026 287 HA LEU 36 HA LEU 36 1.349 11.046 -5.625 288 1HB LEU 36 2HB LEU 36 -0.012 8.362 -5.494 289 2HB LEU 36 1HB LEU 36 1.648 8.566 -6.011 290 HG LEU 36 HG LEU 36 0.592 9.342 -3.298 291 1HD1 LEU 36 1HD1 LEU 36 1.827 7.411 -2.475 292 2HD1 LEU 36 2HD1 LEU 36 2.268 6.978 -4.126 293 3HD1 LEU 36 3HD1 LEU 36 0.579 6.918 -3.620 294 1HD2 LEU 36 1HD2 LEU 36 3.403 9.220 -4.380 295 2HD2 LEU 36 2HD2 LEU 36 2.946 9.613 -2.722 296 3HD2 LEU 36 3HD2 LEU 36 2.491 10.691 -4.041 297 H ARG 37 H ARG 37 2.260 11.036 -7.622 298 HA ARG 37 HA ARG 37 0.459 11.078 -9.887 299 1HB ARG 37 2HB ARG 37 3.425 11.583 -9.619 300 2HB ARG 37 1HB ARG 37 2.552 11.707 -11.140 301 1HG ARG 37 2HG ARG 37 1.248 13.520 -10.345 302 2HG ARG 37 1HG ARG 37 1.828 13.295 -8.694 303 1HD ARG 37 2HD ARG 37 3.531 14.092 -11.054 304 2HD ARG 37 1HD ARG 37 2.909 15.199 -9.830 305 HE ARG 37 HE ARG 37 4.733 12.970 -9.161 306 1HH1 ARG 37 1HH1 ARG 37 3.852 16.366 -9.012 307 2HH1 ARG 37 2HH1 ARG 37 5.115 16.770 -7.884 308 1HH2 ARG 37 1HH2 ARG 37 6.381 13.508 -7.689 309 2HH2 ARG 37 2HH2 ARG 37 6.531 15.141 -7.111 310 H ALA 38 H ALA 38 0.458 8.613 -8.813 311 HA ALA 38 HA ALA 38 1.766 6.970 -10.869 312 1HB ALA 38 1HB ALA 38 1.552 6.315 -7.930 313 2HB ALA 38 2HB ALA 38 3.034 6.705 -8.802 314 3HB ALA 38 3HB ALA 38 2.152 5.224 -9.178 315 HA PRO 39 HA PRO 39 -2.274 5.395 -11.704 316 1HB PRO 39 2HB PRO 39 -0.981 2.720 -11.822 317 2HB PRO 39 1HB PRO 39 -1.954 3.556 -13.036 318 1HG PRO 39 2HG PRO 39 0.697 3.348 -13.294 319 2HG PRO 39 1HG PRO 39 -0.173 4.805 -13.805 320 1HD PRO 39 2HD PRO 39 1.511 4.357 -11.388 321 2HD PRO 39 1HD PRO 39 1.308 5.821 -12.370 322 H LEU 40 H LEU 40 -3.969 4.487 -10.637 323 HA LEU 40 HA LEU 40 -3.751 3.849 -7.907 324 1HB LEU 40 2HB LEU 40 -5.892 3.713 -9.966 325 2HB LEU 40 1HB LEU 40 -6.130 2.809 -8.489 326 HG LEU 40 HG LEU 40 -7.223 4.969 -8.335 327 1HD1 LEU 40 1HD1 LEU 40 -6.218 5.787 -6.272 328 2HD1 LEU 40 2HD1 LEU 40 -4.756 4.859 -6.604 329 3HD1 LEU 40 3HD1 LEU 40 -6.278 4.025 -6.294 330 1HD2 LEU 40 1HD2 LEU 40 -4.488 6.154 -8.795 331 2HD2 LEU 40 2HD2 LEU 40 -5.945 7.052 -8.364 332 3HD2 LEU 40 3HD2 LEU 40 -5.851 6.213 -9.913 333 HA PRO 41 HA PRO 41 -2.163 -0.278 -8.224 334 1HB PRO 41 2HB PRO 41 -2.921 -1.037 -5.669 335 2HB PRO 41 1HB PRO 41 -1.421 -0.216 -6.092 336 1HG PRO 41 2HG PRO 41 -3.944 0.903 -4.979 337 2HG PRO 41 1HG PRO 41 -2.266 1.369 -4.647 338 1HD PRO 41 2HD PRO 41 -3.874 2.831 -6.241 339 2HD PRO 41 1HD PRO 41 -2.129 2.692 -6.533 340 H THR 42 H THR 42 -2.888 -2.322 -8.538 341 HA THR 42 HA THR 42 -5.733 -2.587 -9.020 342 HB THR 42 HB THR 42 -5.082 -4.835 -9.941 343 HG1 THR 42 HG1 THR 42 -2.417 -4.258 -10.099 344 1HG2 THR 42 1HG2 THR 42 -3.927 -3.939 -11.913 345 2HG2 THR 42 2HG2 THR 42 -3.559 -2.461 -11.022 346 3HG2 THR 42 3HG2 THR 42 -5.233 -2.874 -11.392 347 H GLN 43 H GLN 43 -6.954 -4.452 -8.245 348 HA GLN 43 HA GLN 43 -6.871 -4.744 -5.468 349 1HB GLN 43 2HB GLN 43 -8.809 -5.204 -7.047 350 2HB GLN 43 1HB GLN 43 -8.062 -6.754 -7.375 351 1HG GLN 43 2HG GLN 43 -9.880 -6.841 -5.696 352 2HG GLN 43 1HG GLN 43 -8.331 -7.455 -5.118 353 1HE2 GLN 43 1HE2 GLN 43 -7.226 -6.347 -3.544 354 2HE2 GLN 43 2HE2 GLN 43 -7.952 -5.087 -2.606 355 H ALA 44 H ALA 44 -5.711 -6.843 -8.036 356 HA ALA 44 HA ALA 44 -4.739 -8.961 -6.524 357 1HB ALA 44 1HB ALA 44 -3.533 -7.830 -9.044 358 2HB ALA 44 2HB ALA 44 -4.881 -8.964 -8.969 359 3HB ALA 44 3HB ALA 44 -3.284 -9.455 -8.405 360 H GLU 45 H GLU 45 -2.965 -6.030 -7.562 361 HA GLU 45 HA GLU 45 -0.571 -6.710 -6.267 362 1HB GLU 45 2HB GLU 45 -1.473 -4.635 -7.917 363 2HB GLU 45 1HB GLU 45 -0.948 -3.848 -6.432 364 1HG GLU 45 2HG GLU 45 1.195 -5.039 -6.604 365 2HG GLU 45 1HG GLU 45 0.673 -5.724 -8.136 366 H LEU 46 H LEU 46 -3.331 -4.744 -5.242 367 HA LEU 46 HA LEU 46 -2.412 -3.852 -2.794 368 1HB LEU 46 2HB LEU 46 -5.173 -4.715 -3.642 369 2HB LEU 46 1HB LEU 46 -4.837 -3.932 -2.119 370 HG LEU 46 HG LEU 46 -4.301 -2.703 -4.819 371 1HD1 LEU 46 1HD1 LEU 46 -6.554 -2.241 -2.866 372 2HD1 LEU 46 2HD1 LEU 46 -6.684 -2.931 -4.484 373 3HD1 LEU 46 3HD1 LEU 46 -6.215 -1.244 -4.280 374 1HD2 LEU 46 1HD2 LEU 46 -2.820 -1.888 -3.063 375 2HD2 LEU 46 2HD2 LEU 46 -4.216 -1.526 -2.047 376 3HD2 LEU 46 3HD2 LEU 46 -3.968 -0.646 -3.557 377 H GLU 47 H GLU 47 -4.201 -6.865 -3.466 378 HA GLU 47 HA GLU 47 -4.026 -7.752 -0.776 379 1HB GLU 47 2HB GLU 47 -4.778 -9.196 -3.311 380 2HB GLU 47 1HB GLU 47 -4.868 -9.922 -1.709 381 1HG GLU 47 2HG GLU 47 -6.411 -8.127 -1.019 382 2HG GLU 47 1HG GLU 47 -6.368 -7.493 -2.660 383 H THR 48 H THR 48 -1.867 -7.941 -3.446 384 HA THR 48 HA THR 48 -0.328 -10.165 -2.528 385 HB THR 48 HB THR 48 0.500 -7.845 -4.301 386 HG1 THR 48 HG1 THR 48 -1.219 -9.223 -5.113 387 1HG2 THR 48 1HG2 THR 48 2.323 -9.312 -5.037 388 2HG2 THR 48 2HG2 THR 48 1.823 -10.524 -3.857 389 3HG2 THR 48 3HG2 THR 48 2.440 -8.966 -3.311 390 H TRP 49 H TRP 49 0.006 -6.628 -2.187 391 HA TRP 49 HA TRP 49 2.302 -6.658 -0.568 392 1HB TRP 49 2HB TRP 49 0.045 -4.648 -0.438 393 2HB TRP 49 1HB TRP 49 1.705 -4.398 0.083 394 HD1 TRP 49 HD1 TRP 49 2.892 -5.793 -2.705 395 HE1 TRP 49 HE1 TRP 49 2.902 -4.318 -4.813 396 HE3 TRP 49 HE3 TRP 49 -0.546 -2.298 -1.268 397 HZ2 TRP 49 HZ2 TRP 49 1.629 -1.980 -5.732 398 HZ3 TRP 49 HZ3 TRP 49 -1.086 -0.471 -2.820 399 HH2 TRP 49 HH2 TRP 49 -0.016 -0.318 -5.004 400 H TRP 50 H TRP 50 -1.137 -6.793 0.207 401 HA TRP 50 HA TRP 50 -0.941 -6.807 2.998 402 1HB TRP 50 2HB TRP 50 -3.072 -6.538 1.814 403 2HB TRP 50 1HB TRP 50 -2.963 -8.191 1.221 404 HD1 TRP 50 HD1 TRP 50 -4.204 -9.933 2.610 405 HE1 TRP 50 HE1 TRP 50 -5.179 -10.047 4.992 406 HE3 TRP 50 HE3 TRP 50 -2.508 -5.447 4.379 407 HZ2 TRP 50 HZ2 TRP 50 -5.204 -8.437 7.319 408 HZ3 TRP 50 HZ3 TRP 50 -3.049 -4.812 6.694 409 HH2 TRP 50 HH2 TRP 50 -4.370 -6.277 8.130 410 H GLU 51 H GLU 51 -0.863 -9.472 0.660 411 HA GLU 51 HA GLU 51 -0.653 -11.585 2.473 412 1HB GLU 51 2HB GLU 51 -0.135 -11.155 -0.393 413 2HB GLU 51 1HB GLU 51 0.735 -12.490 0.330 414 1HG GLU 51 2HG GLU 51 -1.491 -13.270 1.227 415 2HG GLU 51 1HG GLU 51 -2.223 -12.078 0.153 416 H GLU 52 H GLU 52 1.899 -9.756 0.799 417 HA GLU 52 HA GLU 52 4.045 -11.167 1.959 418 1HB GLU 52 2HB GLU 52 3.936 -8.373 0.822 419 2HB GLU 52 1HB GLU 52 5.421 -9.219 1.245 420 1HG GLU 52 2HG GLU 52 4.908 -10.955 -0.374 421 2HG GLU 52 1HG GLU 52 3.402 -10.138 -0.783 422 H LEU 53 H LEU 53 2.249 -8.324 2.984 423 HA LEU 53 HA LEU 53 3.827 -7.640 5.215 424 1HB LEU 53 2HB LEU 53 2.098 -6.173 4.288 425 2HB LEU 53 1HB LEU 53 0.855 -7.312 4.771 426 HG LEU 53 HG LEU 53 1.612 -6.936 7.158 427 1HD1 LEU 53 1HD1 LEU 53 3.037 -4.604 5.882 428 2HD1 LEU 53 2HD1 LEU 53 3.796 -5.979 6.686 429 3HD1 LEU 53 3HD1 LEU 53 2.806 -4.851 7.613 430 1HD2 LEU 53 1HD2 LEU 53 0.472 -4.611 5.615 431 2HD2 LEU 53 2HD2 LEU 53 0.352 -4.847 7.359 432 3HD2 LEU 53 3HD2 LEU 53 -0.431 -5.981 6.260 433 H GLN 54 H GLN 54 1.003 -9.785 4.895 434 HA GLN 54 HA GLN 54 0.920 -10.515 7.633 435 1HB GLN 54 2HB GLN 54 -0.233 -11.742 5.137 436 2HB GLN 54 1HB GLN 54 -0.527 -12.387 6.738 437 1HG GLN 54 2HG GLN 54 -1.231 -9.608 5.830 438 2HG GLN 54 1HG GLN 54 -2.355 -10.961 5.958 439 1HE2 GLN 54 1HE2 GLN 54 -0.454 -8.637 7.704 440 2HE2 GLN 54 2HE2 GLN 54 -1.177 -8.903 9.252 441 H LYS 55 H LYS 55 2.653 -11.702 4.865 442 HA LYS 55 HA LYS 55 3.596 -14.084 6.204 443 1HB LYS 55 2HB LYS 55 3.192 -13.669 3.658 444 2HB LYS 55 1HB LYS 55 4.800 -12.956 3.706 445 1HG LYS 55 2HG LYS 55 5.736 -15.031 4.496 446 2HG LYS 55 1HG LYS 55 4.131 -15.754 4.587 447 1HD LYS 55 2HD LYS 55 3.862 -15.483 2.176 448 2HD LYS 55 1HD LYS 55 5.460 -14.747 2.079 449 1HE LYS 55 2HE LYS 55 4.910 -17.552 3.036 450 2HE LYS 55 1HE LYS 55 5.431 -17.128 1.406 451 1HZ LYS 55 1HZ LYS 55 7.338 -17.775 2.617 452 2HZ LYS 55 2HZ LYS 55 6.946 -16.785 3.933 453 3HZ LYS 55 3HZ LYS 55 7.423 -16.090 2.462 454 H ASN 56 H ASN 56 4.185 -10.965 6.614 455 HA ASN 56 HA ASN 56 5.746 -9.685 7.606 456 1HB ASN 56 2HB ASN 56 5.854 -11.702 9.156 457 2HB ASN 56 1HB ASN 56 7.286 -12.188 8.267 458 1HD2 ASN 56 1HD2 ASN 56 9.172 -11.099 8.575 459 2HD2 ASN 56 2HD2 ASN 56 9.372 -9.891 9.792 460 HA PRO 57 HA PRO 57 8.473 -9.647 4.010 461 1HB PRO 57 2HB PRO 57 8.469 -6.981 3.671 462 2HB PRO 57 1HB PRO 57 7.097 -7.980 3.184 463 1HG PRO 57 2HG PRO 57 7.434 -6.274 5.611 464 2HG PRO 57 1HG PRO 57 5.999 -6.512 4.597 465 1HD PRO 57 2HD PRO 57 6.440 -7.772 7.012 466 2HD PRO 57 1HD PRO 57 5.367 -8.382 5.738 467 HA PRO 58 HA PRO 58 12.235 -8.746 6.199 468 1HB PRO 58 2HB PRO 58 13.948 -8.626 4.105 469 2HB PRO 58 1HB PRO 58 13.288 -10.143 4.721 470 1HG PRO 58 2HG PRO 58 12.463 -8.544 2.337 471 2HG PRO 58 1HG PRO 58 12.587 -10.302 2.518 472 1HD PRO 58 2HD PRO 58 10.227 -8.927 2.640 473 2HD PRO 58 1HD PRO 58 10.508 -10.474 3.466 474 H TYR 59 H TYR 59 13.688 -7.084 6.583 475 HA TYR 59 HA TYR 59 12.750 -4.463 5.963 476 1HB TYR 59 2HB TYR 59 13.851 -5.083 8.117 477 2HB TYR 59 1HB TYR 59 15.363 -5.308 7.249 478 HD1 TYR 59 HD1 TYR 59 12.861 -2.798 8.298 479 HD2 TYR 59 HD2 TYR 59 16.757 -3.452 6.713 480 HE1 TYR 59 HE1 TYR 59 13.399 -0.425 8.655 481 HE2 TYR 59 HE2 TYR 59 17.305 -1.081 7.069 482 HH TYR 59 HH TYR 59 15.383 0.996 8.949 483 H GLU 60 H GLU 60 13.423 -3.078 4.397 484 HA GLU 60 HA GLU 60 14.942 -4.080 2.219 485 1HB GLU 60 2HB GLU 60 13.175 -2.380 1.944 486 2HB GLU 60 1HB GLU 60 14.151 -1.225 2.841 487 1HG GLU 60 2HG GLU 60 15.902 -1.434 1.096 488 2HG GLU 60 1HG GLU 60 14.804 -2.460 0.175 Start of MODEL 16 1 1H MET 1 1H MET 1 -9.993 -4.019 5.324 2 2H MET 1 2H MET 1 -9.238 -4.564 6.736 3 3H MET 1 3H MET 1 -9.727 -5.676 5.556 4 HA MET 1 HA MET 1 -7.356 -5.356 5.470 5 1HB MET 1 2HB MET 1 -8.604 -5.796 3.379 6 2HB MET 1 1HB MET 1 -8.781 -4.065 3.131 7 1HG MET 1 2HG MET 1 -6.357 -3.841 2.952 8 2HG MET 1 1HG MET 1 -6.178 -5.576 3.195 9 1HE MET 1 1HE MET 1 -4.905 -4.014 0.716 10 2HE MET 1 2HE MET 1 -5.259 -5.156 -0.582 11 3HE MET 1 3HE MET 1 -4.737 -5.747 0.995 12 H ILE 2 H ILE 2 -5.761 -4.053 6.092 13 HA ILE 2 HA ILE 2 -6.269 -1.201 6.381 14 HB ILE 2 HB ILE 2 -3.745 -2.685 7.099 15 1HG1 ILE 2 2HG1 ILE 2 -5.658 -3.690 8.288 16 2HG1 ILE 2 1HG1 ILE 2 -4.605 -2.821 9.398 17 1HG2 ILE 2 1HG2 ILE 2 -3.496 -0.283 6.922 18 2HG2 ILE 2 2HG2 ILE 2 -3.387 -0.777 8.612 19 3HG2 ILE 2 3HG2 ILE 2 -4.868 -0.040 8.004 20 1HD1 ILE 2 1HD1 ILE 2 -7.198 -1.790 8.272 21 2HD1 ILE 2 2HD1 ILE 2 -6.158 -0.956 9.426 22 3HD1 ILE 2 3HD1 ILE 2 -6.963 -2.454 9.890 23 H LEU 3 H LEU 3 -5.990 -0.051 4.561 24 HA LEU 3 HA LEU 3 -4.219 -0.787 2.475 25 1HB LEU 3 2HB LEU 3 -6.207 1.244 3.009 26 2HB LEU 3 1HB LEU 3 -4.816 1.917 2.196 27 HG LEU 3 HG LEU 3 -6.502 1.285 0.578 28 1HD1 LEU 3 1HD1 LEU 3 -4.143 -0.590 0.525 29 2HD1 LEU 3 2HD1 LEU 3 -4.182 1.059 -0.099 30 3HD1 LEU 3 3HD1 LEU 3 -5.172 -0.191 -0.851 31 1HD2 LEU 3 1HD2 LEU 3 -6.228 -1.516 1.669 32 2HD2 LEU 3 2HD2 LEU 3 -7.207 -1.022 0.287 33 3HD2 LEU 3 3HD2 LEU 3 -7.614 -0.451 1.904 34 H TYR 4 H TYR 4 -4.062 1.394 5.193 35 HA TYR 4 HA TYR 4 -1.905 2.984 4.573 36 1HB TYR 4 2HB TYR 4 -3.233 3.366 6.557 37 2HB TYR 4 1HB TYR 4 -2.716 1.835 7.248 38 HD1 TYR 4 HD1 TYR 4 -0.997 1.847 8.791 39 HD2 TYR 4 HD2 TYR 4 -1.258 5.054 6.005 40 HE1 TYR 4 HE1 TYR 4 0.868 2.977 9.926 41 HE2 TYR 4 HE2 TYR 4 0.608 6.193 7.133 42 HH TYR 4 HH TYR 4 2.612 4.659 9.388 43 H ASP 5 H ASP 5 -1.819 -0.193 6.168 44 HA ASP 5 HA ASP 5 0.967 -0.181 6.612 45 1HB ASP 5 2HB ASP 5 -1.116 -1.744 7.447 46 2HB ASP 5 1HB ASP 5 -0.262 -2.816 6.342 47 H ALA 6 H ALA 6 -1.038 -1.423 4.011 48 HA ALA 6 HA ALA 6 1.012 -2.837 2.660 49 1HB ALA 6 1HB ALA 6 -0.535 -2.872 0.765 50 2HB ALA 6 2HB ALA 6 -1.565 -1.697 1.583 51 3HB ALA 6 3HB ALA 6 -1.348 -3.309 2.268 52 H ILE 7 H ILE 7 -0.318 0.431 2.275 53 HA ILE 7 HA ILE 7 1.216 1.192 0.047 54 HB ILE 7 HB ILE 7 0.145 2.938 2.273 55 1HG1 ILE 7 2HG1 ILE 7 -1.014 2.358 -0.462 56 2HG1 ILE 7 1HG1 ILE 7 -1.553 1.589 1.030 57 1HG2 ILE 7 1HG2 ILE 7 1.124 3.673 -0.485 58 2HG2 ILE 7 2HG2 ILE 7 1.893 4.082 1.048 59 3HG2 ILE 7 3HG2 ILE 7 0.322 4.769 0.641 60 1HD1 ILE 7 1HD1 ILE 7 -1.683 4.534 0.411 61 2HD1 ILE 7 2HD1 ILE 7 -2.230 3.762 1.901 62 3HD1 ILE 7 3HD1 ILE 7 -3.032 3.397 0.373 63 H MET 8 H MET 8 1.778 1.641 3.528 64 HA MET 8 HA MET 8 4.267 2.979 3.194 65 1HB MET 8 2HB MET 8 2.775 3.121 5.213 66 2HB MET 8 1HB MET 8 3.292 1.497 5.642 67 1HG MET 8 2HG MET 8 4.526 3.144 6.904 68 2HG MET 8 1HG MET 8 5.600 2.274 5.811 69 1HE MET 8 1HE MET 8 7.464 4.145 6.163 70 2HE MET 8 2HE MET 8 6.388 5.025 7.248 71 3HE MET 8 3HE MET 8 7.177 5.866 5.912 72 H TYR 9 H TYR 9 3.333 -0.339 3.230 73 HA TYR 9 HA TYR 9 5.821 -1.497 3.931 74 1HB TYR 9 2HB TYR 9 3.694 -2.742 3.987 75 2HB TYR 9 1HB TYR 9 3.582 -2.628 2.236 76 HD1 TYR 9 HD1 TYR 9 5.600 -4.062 4.994 77 HD2 TYR 9 HD2 TYR 9 4.644 -4.216 0.850 78 HE1 TYR 9 HE1 TYR 9 6.848 -6.170 4.792 79 HE2 TYR 9 HE2 TYR 9 5.895 -6.322 0.636 80 HH TYR 9 HH TYR 9 6.852 -8.173 3.246 81 H LYS 10 H LYS 10 4.365 -0.571 0.842 82 HA LYS 10 HA LYS 10 6.743 -1.483 -0.569 83 1HB LYS 10 2HB LYS 10 4.471 -1.940 -1.489 84 2HB LYS 10 1HB LYS 10 4.260 -0.209 -1.722 85 1HG LYS 10 2HG LYS 10 6.160 -0.174 -3.253 86 2HG LYS 10 1HG LYS 10 6.396 -1.903 -3.006 87 1HD LYS 10 2HD LYS 10 4.098 -2.274 -3.885 88 2HD LYS 10 1HD LYS 10 4.016 -0.553 -4.262 89 1HE LYS 10 2HE LYS 10 6.044 -2.500 -5.360 90 2HE LYS 10 1HE LYS 10 4.632 -1.895 -6.224 91 1HZ LYS 10 1HZ LYS 10 6.889 -0.235 -5.226 92 2HZ LYS 10 2HZ LYS 10 5.533 0.336 -6.077 93 3HZ LYS 10 3HZ LYS 10 6.639 -0.696 -6.839 94 H TYR 11 H TYR 11 5.068 1.521 0.207 95 HA TYR 11 HA TYR 11 7.325 2.998 -0.978 96 1HB TYR 11 2HB TYR 11 4.452 3.933 -0.743 97 2HB TYR 11 1HB TYR 11 5.786 4.846 -1.436 98 HD1 TYR 11 HD1 TYR 11 6.972 3.784 -3.486 99 HD2 TYR 11 HD2 TYR 11 3.119 2.617 -2.109 100 HE1 TYR 11 HE1 TYR 11 6.476 2.833 -5.699 101 HE2 TYR 11 HE2 TYR 11 2.612 1.666 -4.318 102 HH TYR 11 HH TYR 11 3.358 1.948 -6.671 103 HA PRO 12 HA PRO 12 7.506 4.238 3.421 104 1HB PRO 12 2HB PRO 12 10.166 4.722 3.413 105 2HB PRO 12 1HB PRO 12 9.501 3.100 3.621 106 1HG PRO 12 2HG PRO 12 10.649 4.375 1.176 107 2HG PRO 12 1HG PRO 12 10.869 2.724 1.784 108 1HD PRO 12 2HD PRO 12 9.152 3.367 -0.233 109 2HD PRO 12 1HD PRO 12 8.901 1.993 0.861 110 H ASN 13 H ASN 13 8.240 5.651 0.434 111 HA ASN 13 HA ASN 13 8.864 8.287 1.444 112 1HB ASN 13 2HB ASN 13 8.497 7.188 -1.345 113 2HB ASN 13 1HB ASN 13 8.868 8.867 -1.011 114 1HD2 ASN 13 1HD2 ASN 13 10.728 8.581 -2.272 115 2HD2 ASN 13 2HD2 ASN 13 12.126 7.798 -1.629 116 H ALA 14 H ALA 14 6.092 6.632 1.318 117 HA ALA 14 HA ALA 14 4.439 8.643 0.032 118 1HB ALA 14 1HB ALA 14 3.922 6.282 -0.338 119 2HB ALA 14 2HB ALA 14 2.587 7.104 0.472 120 3HB ALA 14 3HB ALA 14 3.671 6.064 1.394 121 H VAL 15 H VAL 15 4.165 10.437 1.204 122 HA VAL 15 HA VAL 15 3.979 10.352 4.081 123 HB VAL 15 HB VAL 15 3.517 12.713 2.249 124 1HG1 VAL 15 1HG1 VAL 15 4.078 14.044 4.236 125 2HG1 VAL 15 2HG1 VAL 15 4.192 12.563 5.186 126 3HG1 VAL 15 3HG1 VAL 15 2.645 13.048 4.491 127 1HG2 VAL 15 1HG2 VAL 15 5.736 11.782 1.855 128 2HG2 VAL 15 2HG2 VAL 15 6.069 11.806 3.586 129 3HG2 VAL 15 3HG2 VAL 15 5.854 13.322 2.710 130 H SER 16 H SER 16 2.181 9.905 5.128 131 HA SER 16 HA SER 16 -0.361 9.750 3.870 132 1HB SER 16 2HB SER 16 0.217 9.779 6.838 133 2HB SER 16 1HB SER 16 -1.191 9.090 6.031 134 HG SER 16 HG SER 16 1.027 8.033 4.978 135 H ARG 17 H ARG 17 -2.209 11.001 4.226 136 HA ARG 17 HA ARG 17 -3.448 12.876 4.503 137 1HB ARG 17 2HB ARG 17 -1.410 13.672 6.593 138 2HB ARG 17 1HB ARG 17 -3.042 14.305 6.422 139 1HG ARG 17 2HG ARG 17 -3.975 12.141 6.984 140 2HG ARG 17 1HG ARG 17 -2.358 11.445 7.075 141 1HD ARG 17 2HD ARG 17 -2.962 11.857 9.301 142 2HD ARG 17 1HD ARG 17 -1.885 13.185 8.873 143 HE ARG 17 HE ARG 17 -4.491 14.024 8.358 144 1HH1 ARG 17 1HH1 ARG 17 -2.513 13.101 11.103 145 2HH1 ARG 17 2HH1 ARG 17 -3.431 14.044 12.240 146 1HH2 ARG 17 1HH2 ARG 17 -5.677 15.274 9.853 147 2HH2 ARG 17 2HH2 ARG 17 -5.209 15.296 11.524 148 H LYS 18 H LYS 18 -1.046 12.717 2.750 149 HA LYS 18 HA LYS 18 -1.013 15.520 1.961 150 1HB LYS 18 2HB LYS 18 0.984 15.367 3.310 151 2HB LYS 18 1HB LYS 18 1.474 13.886 2.500 152 1HG LYS 18 2HG LYS 18 1.662 15.213 0.382 153 2HG LYS 18 1HG LYS 18 1.398 16.664 1.351 154 1HD LYS 18 2HD LYS 18 3.375 16.273 2.616 155 2HD LYS 18 1HD LYS 18 3.583 14.670 1.910 156 1HE LYS 18 2HE LYS 18 3.778 17.306 0.459 157 2HE LYS 18 1HE LYS 18 5.125 16.265 0.910 158 1HZ LYS 18 1HZ LYS 18 4.000 14.508 -0.509 159 2HZ LYS 18 2HZ LYS 18 4.701 15.817 -1.334 160 3HZ LYS 18 3HZ LYS 18 3.021 15.757 -1.116 161 H ASP 19 H ASP 19 0.865 12.632 1.048 162 HA ASP 19 HA ASP 19 0.260 13.050 -1.743 163 1HB ASP 19 2HB ASP 19 1.917 11.036 -0.243 164 2HB ASP 19 1HB ASP 19 1.568 10.828 -1.954 165 H PHE 20 H PHE 20 -1.055 11.289 0.848 166 HA PHE 20 HA PHE 20 -3.264 10.504 -0.788 167 1HB PHE 20 2HB PHE 20 -3.210 8.122 -0.319 168 2HB PHE 20 1HB PHE 20 -1.727 8.582 -1.143 169 HD1 PHE 20 HD1 PHE 20 -3.177 7.142 1.819 170 HD2 PHE 20 HD2 PHE 20 0.385 8.786 0.177 171 HE1 PHE 20 HE1 PHE 20 -1.870 6.099 3.622 172 HE2 PHE 20 HE2 PHE 20 1.697 7.739 1.974 173 HZ PHE 20 HZ PHE 20 0.573 6.398 3.700 174 H GLU 21 H GLU 21 -5.117 10.166 0.450 175 HA GLU 21 HA GLU 21 -4.743 10.603 3.341 176 1HB GLU 21 2HB GLU 21 -5.737 12.572 2.178 177 2HB GLU 21 1HB GLU 21 -7.079 11.553 1.673 178 1HG GLU 21 2HG GLU 21 -7.657 11.158 4.012 179 2HG GLU 21 1HG GLU 21 -6.322 12.194 4.513 180 H LEU 22 H LEU 22 -5.644 9.183 4.668 181 HA LEU 22 HA LEU 22 -7.281 7.061 3.474 182 1HB LEU 22 2HB LEU 22 -5.955 7.066 6.176 183 2HB LEU 22 1HB LEU 22 -6.627 5.693 5.323 184 HG LEU 22 HG LEU 22 -4.209 7.241 4.395 185 1HD1 LEU 22 1HD1 LEU 22 -2.932 5.309 5.179 186 2HD1 LEU 22 2HD1 LEU 22 -4.406 4.617 5.861 187 3HD1 LEU 22 3HD1 LEU 22 -3.758 6.127 6.503 188 1HD2 LEU 22 1HD2 LEU 22 -5.350 4.592 3.517 189 2HD2 LEU 22 2HD2 LEU 22 -3.879 5.350 2.904 190 3HD2 LEU 22 3HD2 LEU 22 -5.447 6.104 2.613 191 H ARG 23 H ARG 23 -9.159 6.350 4.530 192 HA ARG 23 HA ARG 23 -10.122 7.976 6.762 193 1HB ARG 23 2HB ARG 23 -11.412 7.716 4.108 194 2HB ARG 23 1HB ARG 23 -12.468 7.627 5.518 195 1HG ARG 23 2HG ARG 23 -12.125 9.778 6.089 196 2HG ARG 23 1HG ARG 23 -10.466 9.782 5.499 197 1HD ARG 23 2HD ARG 23 -11.540 9.634 3.158 198 2HD ARG 23 1HD ARG 23 -13.025 10.126 3.970 199 HE ARG 23 HE ARG 23 -10.560 11.748 4.086 200 1HH1 ARG 23 1HH1 ARG 23 -14.004 11.449 3.536 201 2HH1 ARG 23 2HH1 ARG 23 -14.236 13.154 3.267 202 1HH2 ARG 23 1HH2 ARG 23 -10.840 13.954 3.716 203 2HH2 ARG 23 2HH2 ARG 23 -12.428 14.593 3.380 204 H ASN 24 H ASN 24 -11.617 6.989 8.091 205 HA ASN 24 HA ASN 24 -11.153 4.114 8.193 206 1HB ASN 24 2HB ASN 24 -10.705 5.430 10.205 207 2HB ASN 24 1HB ASN 24 -12.375 5.988 10.232 208 1HD2 ASN 24 1HD2 ASN 24 -12.742 5.139 12.260 209 2HD2 ASN 24 2HD2 ASN 24 -12.895 3.440 12.547 210 H ASP 25 H ASP 25 -12.589 2.640 7.701 211 HA ASP 25 HA ASP 25 -15.370 3.459 7.185 212 1HB ASP 25 2HB ASP 25 -14.197 2.499 5.275 213 2HB ASP 25 1HB ASP 25 -13.761 1.083 6.220 214 H GLY 26 H GLY 26 -13.480 1.859 9.446 215 1HA GLY 26 2HA GLY 26 -14.341 0.796 11.402 216 2HA GLY 26 1HA GLY 26 -15.786 0.358 10.494 217 H ASN 27 H ASN 27 -14.448 -0.579 8.194 218 HA ASN 27 HA ASN 27 -13.449 -3.163 9.069 219 1HB ASN 27 2HB ASN 27 -15.046 -2.963 7.173 220 2HB ASN 27 1HB ASN 27 -13.858 -2.011 6.293 221 1HD2 ASN 27 1HD2 ASN 27 -13.686 -3.389 4.589 222 2HD2 ASN 27 2HD2 ASN 27 -12.966 -4.963 4.709 223 H GLY 28 H GLY 28 -12.172 -0.231 8.860 224 1HA GLY 28 2HA GLY 28 -9.679 -0.288 9.290 225 2HA GLY 28 1HA GLY 28 -9.596 -1.091 7.727 226 H SER 29 H SER 29 -8.122 1.067 7.885 227 HA SER 29 HA SER 29 -9.690 3.241 6.701 228 1HB SER 29 2HB SER 29 -6.831 3.286 7.701 229 2HB SER 29 1HB SER 29 -7.788 4.678 7.191 230 HG SER 29 HG SER 29 -8.375 2.963 9.391 231 H TYR 30 H TYR 30 -9.658 3.484 4.572 232 HA TYR 30 HA TYR 30 -7.380 2.370 3.081 233 1HB TYR 30 2HB TYR 30 -9.060 2.046 1.179 234 2HB TYR 30 1HB TYR 30 -9.136 0.923 2.527 235 HD1 TYR 30 HD1 TYR 30 -11.213 0.394 3.336 236 HD2 TYR 30 HD2 TYR 30 -10.670 4.185 1.484 237 HE1 TYR 30 HE1 TYR 30 -13.611 0.859 3.597 238 HE2 TYR 30 HE2 TYR 30 -13.067 4.661 1.745 239 HH TYR 30 HH TYR 30 -15.120 2.805 3.720 240 H ILE 31 H ILE 31 -7.684 3.288 0.636 241 HA ILE 31 HA ILE 31 -6.805 5.996 1.001 242 HB ILE 31 HB ILE 31 -7.169 4.556 -1.629 243 1HG1 ILE 31 2HG1 ILE 31 -4.714 4.576 0.133 244 2HG1 ILE 31 1HG1 ILE 31 -5.811 3.213 -0.032 245 1HG2 ILE 31 1HG2 ILE 31 -5.344 6.806 -0.794 246 2HG2 ILE 31 2HG2 ILE 31 -6.789 6.955 -1.794 247 3HG2 ILE 31 3HG2 ILE 31 -5.392 6.056 -2.388 248 1HD1 ILE 31 1HD1 ILE 31 -5.280 3.049 -2.396 249 2HD1 ILE 31 2HD1 ILE 31 -3.826 2.928 -1.402 250 3HD1 ILE 31 3HD1 ILE 31 -4.194 4.429 -2.250 251 H GLU 32 H GLU 32 -8.104 7.693 0.993 252 HA GLU 32 HA GLU 32 -10.610 7.629 -0.515 253 1HB GLU 32 2HB GLU 32 -10.705 8.562 1.741 254 2HB GLU 32 1HB GLU 32 -9.445 9.721 1.344 255 1HG GLU 32 2HG GLU 32 -11.535 10.856 1.312 256 2HG GLU 32 1HG GLU 32 -10.983 10.707 -0.355 257 H LYS 33 H LYS 33 -7.795 9.785 -0.168 258 HA LYS 33 HA LYS 33 -8.228 10.631 -2.954 259 1HB LYS 33 2HB LYS 33 -7.165 12.200 -0.609 260 2HB LYS 33 1HB LYS 33 -7.033 12.749 -2.274 261 1HG LYS 33 2HG LYS 33 -9.518 12.608 -2.439 262 2HG LYS 33 1HG LYS 33 -9.550 12.264 -0.712 263 1HD LYS 33 2HD LYS 33 -8.242 14.702 -1.850 264 2HD LYS 33 1HD LYS 33 -9.937 14.666 -1.390 265 1HE LYS 33 2HE LYS 33 -9.291 14.059 0.896 266 2HE LYS 33 1HE LYS 33 -7.593 14.108 0.423 267 1HZ LYS 33 1HZ LYS 33 -8.349 16.154 1.541 268 2HZ LYS 33 2HZ LYS 33 -9.448 16.424 0.275 269 3HZ LYS 33 3HZ LYS 33 -7.783 16.442 -0.032 270 H TRP 34 H TRP 34 -6.458 10.918 -4.279 271 HA TRP 34 HA TRP 34 -3.962 9.651 -3.346 272 1HB TRP 34 2HB TRP 34 -5.352 8.056 -4.635 273 2HB TRP 34 1HB TRP 34 -5.377 9.178 -5.984 274 HD1 TRP 34 HD1 TRP 34 -3.202 9.303 -7.519 275 HE1 TRP 34 HE1 TRP 34 -1.190 7.721 -7.793 276 HE3 TRP 34 HE3 TRP 34 -3.792 6.500 -3.286 277 HZ2 TRP 34 HZ2 TRP 34 -0.010 5.579 -6.397 278 HZ3 TRP 34 HZ3 TRP 34 -2.182 4.701 -2.834 279 HH2 TRP 34 HH2 TRP 34 -0.327 4.249 -4.360 280 H ASN 35 H ASN 35 -2.441 11.167 -3.450 281 HA ASN 35 HA ASN 35 -2.488 13.072 -5.696 282 1HB ASN 35 2HB ASN 35 -1.406 13.398 -2.891 283 2HB ASN 35 1HB ASN 35 -1.086 14.540 -4.189 284 1HD2 ASN 35 1HD2 ASN 35 -2.464 14.908 -1.635 285 2HD2 ASN 35 2HD2 ASN 35 -4.041 15.500 -2.038 286 H LEU 36 H LEU 36 -1.001 10.386 -4.595 287 HA LEU 36 HA LEU 36 1.732 10.914 -5.070 288 1HB LEU 36 2HB LEU 36 0.084 8.406 -5.030 289 2HB LEU 36 1HB LEU 36 1.771 8.361 -5.485 290 HG LEU 36 HG LEU 36 0.841 9.479 -2.857 291 1HD1 LEU 36 1HD1 LEU 36 0.126 7.153 -3.012 292 2HD1 LEU 36 2HD1 LEU 36 1.456 7.336 -1.868 293 3HD1 LEU 36 3HD1 LEU 36 1.761 6.677 -3.475 294 1HD2 LEU 36 1HD2 LEU 36 3.058 10.173 -3.580 295 2HD2 LEU 36 2HD2 LEU 36 3.512 8.488 -3.843 296 3HD2 LEU 36 3HD2 LEU 36 3.168 9.064 -2.212 297 H ARG 37 H ARG 37 2.960 10.744 -6.870 298 HA ARG 37 HA ARG 37 1.563 10.825 -9.409 299 1HB ARG 37 2HB ARG 37 4.500 11.126 -8.760 300 2HB ARG 37 1HB ARG 37 3.793 11.356 -10.354 301 1HG ARG 37 2HG ARG 37 2.377 13.166 -9.379 302 2HG ARG 37 1HG ARG 37 3.296 12.999 -7.884 303 1HD ARG 37 2HD ARG 37 4.389 13.740 -10.593 304 2HD ARG 37 1HD ARG 37 4.172 14.825 -9.220 305 HE ARG 37 HE ARG 37 5.825 12.656 -8.491 306 1HH1 ARG 37 1HH1 ARG 37 5.837 15.553 -10.442 307 2HH1 ARG 37 2HH1 ARG 37 7.542 15.843 -10.239 308 1HH2 ARG 37 1HH2 ARG 37 8.056 12.959 -8.269 309 2HH2 ARG 37 2HH2 ARG 37 8.822 14.342 -9.001 310 H ALA 38 H ALA 38 1.360 8.423 -8.119 311 HA ALA 38 HA ALA 38 2.842 6.626 -9.916 312 1HB ALA 38 1HB ALA 38 3.626 6.347 -7.606 313 2HB ALA 38 2HB ALA 38 2.744 4.914 -8.140 314 3HB ALA 38 3HB ALA 38 1.969 6.081 -7.070 315 HA PRO 39 HA PRO 39 -1.137 5.330 -11.290 316 1HB PRO 39 2HB PRO 39 -0.751 2.693 -11.815 317 2HB PRO 39 1HB PRO 39 -0.096 3.981 -12.831 318 1HG PRO 39 2HG PRO 39 1.261 2.372 -10.703 319 2HG PRO 39 1HG PRO 39 1.866 2.848 -12.301 320 1HD PRO 39 2HD PRO 39 2.578 4.143 -10.034 321 2HD PRO 39 1HD PRO 39 2.425 4.970 -11.597 322 H LEU 40 H LEU 40 -3.040 4.371 -10.614 323 HA LEU 40 HA LEU 40 -3.207 3.510 -7.908 324 1HB LEU 40 2HB LEU 40 -5.103 3.858 -10.168 325 2HB LEU 40 1HB LEU 40 -5.589 2.793 -8.870 326 HG LEU 40 HG LEU 40 -6.501 5.000 -8.501 327 1HD1 LEU 40 1HD1 LEU 40 -5.825 3.698 -6.538 328 2HD1 LEU 40 2HD1 LEU 40 -5.673 5.433 -6.261 329 3HD1 LEU 40 3HD1 LEU 40 -4.237 4.461 -6.584 330 1HD2 LEU 40 1HD2 LEU 40 -3.646 5.963 -8.566 331 2HD2 LEU 40 2HD2 LEU 40 -5.048 6.934 -8.114 332 3HD2 LEU 40 3HD2 LEU 40 -4.896 6.314 -9.758 333 HA PRO 41 HA PRO 41 -2.091 -0.731 -8.807 334 1HB PRO 41 2HB PRO 41 -2.458 -1.611 -6.243 335 2HB PRO 41 1HB PRO 41 -0.993 -0.804 -6.806 336 1HG PRO 41 2HG PRO 41 -3.317 0.323 -5.298 337 2HG PRO 41 1HG PRO 41 -1.583 0.622 -5.075 338 1HD PRO 41 2HD PRO 41 -3.175 2.369 -6.368 339 2HD PRO 41 1HD PRO 41 -1.481 2.109 -6.836 340 H THR 42 H THR 42 -3.148 -2.783 -8.727 341 HA THR 42 HA THR 42 -6.050 -2.473 -8.823 342 HB THR 42 HB THR 42 -5.994 -4.792 -9.815 343 HG1 THR 42 HG1 THR 42 -3.185 -4.306 -9.991 344 1HG2 THR 42 1HG2 THR 42 -6.110 -2.796 -11.224 345 2HG2 THR 42 2HG2 THR 42 -5.141 -4.057 -11.985 346 3HG2 THR 42 3HG2 THR 42 -4.349 -2.682 -11.216 347 H GLN 43 H GLN 43 -7.355 -4.366 -8.009 348 HA GLN 43 HA GLN 43 -7.126 -4.601 -5.250 349 1HB GLN 43 2HB GLN 43 -9.094 -5.100 -6.904 350 2HB GLN 43 1HB GLN 43 -8.456 -6.735 -6.889 351 1HG GLN 43 2HG GLN 43 -9.162 -5.275 -4.367 352 2HG GLN 43 1HG GLN 43 -10.349 -6.190 -5.290 353 1HE2 GLN 43 1HE2 GLN 43 -9.297 -6.578 -2.582 354 2HE2 GLN 43 2HE2 GLN 43 -8.681 -8.198 -2.544 355 H ALA 44 H ALA 44 -6.196 -6.888 -7.784 356 HA ALA 44 HA ALA 44 -5.175 -8.924 -6.165 357 1HB ALA 44 1HB ALA 44 -5.610 -9.162 -8.571 358 2HB ALA 44 2HB ALA 44 -3.987 -9.691 -8.134 359 3HB ALA 44 3HB ALA 44 -4.222 -8.126 -8.912 360 H GLU 45 H GLU 45 -3.549 -6.114 -7.602 361 HA GLU 45 HA GLU 45 -0.956 -6.675 -6.697 362 1HB GLU 45 2HB GLU 45 -2.364 -4.135 -7.469 363 2HB GLU 45 1HB GLU 45 -0.703 -4.104 -6.905 364 1HG GLU 45 2HG GLU 45 -0.032 -5.568 -8.702 365 2HG GLU 45 1HG GLU 45 -1.706 -5.705 -9.238 366 H LEU 46 H LEU 46 -3.569 -4.812 -5.200 367 HA LEU 46 HA LEU 46 -2.171 -3.933 -2.951 368 1HB LEU 46 2HB LEU 46 -5.094 -4.543 -3.366 369 2HB LEU 46 1HB LEU 46 -4.462 -3.807 -1.911 370 HG LEU 46 HG LEU 46 -4.242 -2.621 -4.674 371 1HD1 LEU 46 1HD1 LEU 46 -6.541 -2.621 -3.873 372 2HD1 LEU 46 2HD1 LEU 46 -5.874 -0.988 -3.873 373 3HD1 LEU 46 3HD1 LEU 46 -6.023 -1.880 -2.359 374 1HD2 LEU 46 1HD2 LEU 46 -3.542 -1.484 -1.968 375 2HD2 LEU 46 2HD2 LEU 46 -3.459 -0.626 -3.507 376 3HD2 LEU 46 3HD2 LEU 46 -2.391 -1.996 -3.202 377 H GLU 47 H GLU 47 -4.134 -6.881 -3.414 378 HA GLU 47 HA GLU 47 -3.680 -7.841 -0.791 379 1HB GLU 47 2HB GLU 47 -4.576 -9.261 -3.287 380 2HB GLU 47 1HB GLU 47 -4.447 -10.051 -1.722 381 1HG GLU 47 2HG GLU 47 -6.001 -8.324 -0.818 382 2HG GLU 47 1HG GLU 47 -6.236 -7.766 -2.471 383 H THR 48 H THR 48 -1.817 -7.975 -3.700 384 HA THR 48 HA THR 48 -0.168 -10.175 -3.084 385 HB THR 48 HB THR 48 0.497 -7.696 -4.691 386 HG1 THR 48 HG1 THR 48 -1.277 -8.920 -5.504 387 1HG2 THR 48 1HG2 THR 48 2.518 -8.917 -3.994 388 2HG2 THR 48 2HG2 THR 48 2.243 -9.052 -5.730 389 3HG2 THR 48 3HG2 THR 48 1.846 -10.402 -4.666 390 H TRP 49 H TRP 49 0.298 -6.689 -2.508 391 HA TRP 49 HA TRP 49 2.744 -7.052 -1.103 392 1HB TRP 49 2HB TRP 49 0.881 -4.670 -0.984 393 2HB TRP 49 1HB TRP 49 2.597 -4.692 -0.582 394 HD1 TRP 49 HD1 TRP 49 3.705 -6.230 -3.122 395 HE1 TRP 49 HE1 TRP 49 3.687 -5.093 -5.434 396 HE3 TRP 49 HE3 TRP 49 0.127 -2.695 -2.245 397 HZ2 TRP 49 HZ2 TRP 49 2.344 -2.970 -6.705 398 HZ3 TRP 49 HZ3 TRP 49 -0.463 -1.146 -4.063 399 HH2 TRP 49 HH2 TRP 49 0.624 -1.281 -6.245 400 H TRP 50 H TRP 50 -0.625 -6.866 -0.178 401 HA TRP 50 HA TRP 50 -0.272 -6.766 2.621 402 1HB TRP 50 2HB TRP 50 -2.424 -6.345 1.433 403 2HB TRP 50 1HB TRP 50 -2.522 -8.061 1.056 404 HD1 TRP 50 HD1 TRP 50 -3.734 -9.547 2.792 405 HE1 TRP 50 HE1 TRP 50 -4.668 -9.192 5.171 406 HE3 TRP 50 HE3 TRP 50 -1.820 -4.894 3.725 407 HZ2 TRP 50 HZ2 TRP 50 -4.592 -7.202 7.167 408 HZ3 TRP 50 HZ3 TRP 50 -2.299 -3.838 5.894 409 HH2 TRP 50 HH2 TRP 50 -3.662 -4.965 7.581 410 H GLU 51 H GLU 51 -0.559 -9.458 0.332 411 HA GLU 51 HA GLU 51 -0.354 -11.575 2.121 412 1HB GLU 51 2HB GLU 51 -0.376 -11.189 -0.665 413 2HB GLU 51 1HB GLU 51 1.024 -12.177 -0.285 414 1HG GLU 51 2HG GLU 51 -1.692 -12.754 0.743 415 2HG GLU 51 1HG GLU 51 -1.076 -13.401 -0.753 416 H GLU 52 H GLU 52 2.220 -9.897 0.311 417 HA GLU 52 HA GLU 52 4.329 -11.426 1.380 418 1HB GLU 52 2HB GLU 52 4.357 -8.640 0.222 419 2HB GLU 52 1HB GLU 52 5.791 -9.607 0.553 420 1HG GLU 52 2HG GLU 52 5.033 -11.298 -1.021 421 2HG GLU 52 1HG GLU 52 3.578 -10.359 -1.338 422 H LEU 53 H LEU 53 2.679 -8.580 2.520 423 HA LEU 53 HA LEU 53 4.487 -7.810 4.547 424 1HB LEU 53 2HB LEU 53 2.520 -6.526 3.555 425 2HB LEU 53 1HB LEU 53 1.493 -7.480 4.603 426 HG LEU 53 HG LEU 53 3.724 -5.790 5.720 427 1HD1 LEU 53 1HD1 LEU 53 2.080 -4.014 6.058 428 2HD1 LEU 53 2HD1 LEU 53 0.878 -4.952 5.172 429 3HD1 LEU 53 3HD1 LEU 53 2.312 -4.348 4.341 430 1HD2 LEU 53 1HD2 LEU 53 2.309 -5.802 7.716 431 2HD2 LEU 53 2HD2 LEU 53 2.717 -7.444 7.216 432 3HD2 LEU 53 3HD2 LEU 53 1.117 -6.790 6.871 433 H GLN 54 H GLN 54 1.823 -10.114 4.435 434 HA GLN 54 HA GLN 54 2.030 -10.667 7.273 435 1HB GLN 54 2HB GLN 54 0.078 -11.121 5.183 436 2HB GLN 54 1HB GLN 54 0.358 -12.586 6.116 437 1HG GLN 54 2HG GLN 54 -1.473 -11.345 7.057 438 2HG GLN 54 1HG GLN 54 -0.113 -11.348 8.175 439 1HE2 GLN 54 1HE2 GLN 54 -0.326 -9.322 5.313 440 2HE2 GLN 54 2HE2 GLN 54 -0.457 -7.826 6.166 441 H LYS 55 H LYS 55 2.985 -12.132 4.237 442 HA LYS 55 HA LYS 55 3.720 -14.645 5.432 443 1HB LYS 55 2HB LYS 55 2.964 -14.252 3.022 444 2HB LYS 55 1HB LYS 55 4.614 -13.700 2.739 445 1HG LYS 55 2HG LYS 55 5.512 -15.796 3.320 446 2HG LYS 55 1HG LYS 55 3.975 -16.358 3.964 447 1HD LYS 55 2HD LYS 55 3.937 -15.513 1.144 448 2HD LYS 55 1HD LYS 55 4.883 -16.952 1.509 449 1HE LYS 55 2HE LYS 55 2.547 -17.472 0.896 450 2HE LYS 55 1HE LYS 55 2.976 -18.024 2.513 451 1HZ LYS 55 1HZ LYS 55 1.886 -16.009 3.396 452 2HZ LYS 55 2HZ LYS 55 0.822 -17.030 2.573 453 3HZ LYS 55 3HZ LYS 55 1.379 -15.612 1.823 454 H ASN 56 H ASN 56 5.135 -11.625 5.065 455 HA ASN 56 HA ASN 56 7.481 -12.630 6.479 456 1HB ASN 56 2HB ASN 56 8.141 -12.261 4.079 457 2HB ASN 56 1HB ASN 56 7.721 -10.568 4.273 458 1HD2 ASN 56 1HD2 ASN 56 9.078 -9.243 5.362 459 2HD2 ASN 56 2HD2 ASN 56 10.649 -9.726 5.898 460 HA PRO 57 HA PRO 57 5.180 -9.429 8.761 461 1HB PRO 57 2HB PRO 57 6.315 -10.109 11.177 462 2HB PRO 57 1HB PRO 57 4.862 -10.856 10.506 463 1HG PRO 57 2HG PRO 57 7.691 -11.823 10.459 464 2HG PRO 57 1HG PRO 57 6.195 -12.740 10.723 465 1HD PRO 57 2HD PRO 57 7.471 -12.778 8.363 466 2HD PRO 57 1HD PRO 57 5.699 -12.819 8.461 467 HA PRO 58 HA PRO 58 8.301 -6.257 8.947 468 1HB PRO 58 2HB PRO 58 6.495 -4.978 10.904 469 2HB PRO 58 1HB PRO 58 7.069 -4.376 9.345 470 1HG PRO 58 2HG PRO 58 4.537 -5.176 9.683 471 2HG PRO 58 1HG PRO 58 5.406 -5.468 8.164 472 1HD PRO 58 2HD PRO 58 4.836 -7.356 10.419 473 2HD PRO 58 1HD PRO 58 4.764 -7.641 8.666 474 H TYR 59 H TYR 59 9.539 -5.050 10.639 475 HA TYR 59 HA TYR 59 9.968 -6.829 12.947 476 1HB TYR 59 2HB TYR 59 11.819 -6.638 11.253 477 2HB TYR 59 1HB TYR 59 11.963 -4.940 11.685 478 HD1 TYR 59 HD1 TYR 59 12.404 -8.388 12.888 479 HD2 TYR 59 HD2 TYR 59 13.079 -4.265 13.699 480 HE1 TYR 59 HE1 TYR 59 13.966 -9.004 14.681 481 HE2 TYR 59 HE2 TYR 59 14.640 -4.871 15.501 482 HH TYR 59 HH TYR 59 15.924 -7.941 15.838 483 H GLU 60 H GLU 60 9.395 -6.025 14.844 484 HA GLU 60 HA GLU 60 8.976 -3.171 15.194 485 1HB GLU 60 2HB GLU 60 7.325 -4.775 16.081 486 2HB GLU 60 1HB GLU 60 8.562 -5.491 17.103 487 1HG GLU 60 2HG GLU 60 7.252 -4.085 18.475 488 2HG GLU 60 1HG GLU 60 8.793 -3.269 18.228 Start of MODEL 17 1 1H MET 1 1H MET 1 -9.471 -4.366 3.074 2 2H MET 1 2H MET 1 -8.767 -5.720 2.335 3 3H MET 1 3H MET 1 -8.141 -4.172 2.043 4 HA MET 1 HA MET 1 -8.161 -5.525 4.681 5 1HB MET 1 2HB MET 1 -5.906 -6.082 4.390 6 2HB MET 1 1HB MET 1 -6.604 -6.443 2.819 7 1HG MET 1 2HG MET 1 -5.055 -3.960 3.542 8 2HG MET 1 1HG MET 1 -4.441 -5.333 2.622 9 1HE MET 1 1HE MET 1 -6.725 -6.109 0.674 10 2HE MET 1 2HE MET 1 -5.060 -5.857 0.147 11 3HE MET 1 3HE MET 1 -6.387 -5.085 -0.721 12 H ILE 2 H ILE 2 -6.177 -4.340 5.929 13 HA ILE 2 HA ILE 2 -6.873 -1.569 6.087 14 HB ILE 2 HB ILE 2 -4.497 -2.960 7.326 15 1HG1 ILE 2 2HG1 ILE 2 -5.984 -2.694 9.440 16 2HG1 ILE 2 1HG1 ILE 2 -7.314 -2.530 8.302 17 1HG2 ILE 2 1HG2 ILE 2 -4.457 -1.048 8.864 18 2HG2 ILE 2 2HG2 ILE 2 -5.766 -0.302 7.947 19 3HG2 ILE 2 3HG2 ILE 2 -4.197 -0.559 7.188 20 1HD1 ILE 2 1HD1 ILE 2 -7.122 -4.800 9.145 21 2HD1 ILE 2 2HD1 ILE 2 -5.473 -4.900 8.526 22 3HD1 ILE 2 3HD1 ILE 2 -6.829 -4.741 7.407 23 H LEU 3 H LEU 3 -6.324 -0.244 4.510 24 HA LEU 3 HA LEU 3 -4.428 -0.840 2.537 25 1HB LEU 3 2HB LEU 3 -6.265 1.344 3.227 26 2HB LEU 3 1HB LEU 3 -4.878 1.823 2.292 27 HG LEU 3 HG LEU 3 -6.683 1.406 0.789 28 1HD1 LEU 3 1HD1 LEU 3 -4.504 0.691 0.000 29 2HD1 LEU 3 2HD1 LEU 3 -5.768 -0.376 -0.615 30 3HD1 LEU 3 3HD1 LEU 3 -4.747 -0.898 0.725 31 1HD2 LEU 3 1HD2 LEU 3 -7.812 -0.766 0.666 32 2HD2 LEU 3 2HD2 LEU 3 -8.061 0.019 2.224 33 3HD2 LEU 3 3HD2 LEU 3 -6.908 -1.307 2.081 34 H TYR 4 H TYR 4 -4.314 1.105 5.435 35 HA TYR 4 HA TYR 4 -2.201 2.799 4.966 36 1HB TYR 4 2HB TYR 4 -3.595 2.939 6.959 37 2HB TYR 4 1HB TYR 4 -2.956 1.409 7.545 38 HD1 TYR 4 HD1 TYR 4 -0.892 1.312 8.727 39 HD2 TYR 4 HD2 TYR 4 -2.127 4.952 6.901 40 HE1 TYR 4 HE1 TYR 4 0.871 2.513 9.944 41 HE2 TYR 4 HE2 TYR 4 -0.358 6.162 8.108 42 HH TYR 4 HH TYR 4 2.188 4.598 9.704 43 H ASP 5 H ASP 5 -2.051 -0.521 6.214 44 HA ASP 5 HA ASP 5 0.765 -0.530 6.566 45 1HB ASP 5 2HB ASP 5 -1.251 -2.769 6.320 46 2HB ASP 5 1HB ASP 5 0.444 -3.028 6.694 47 H ALA 6 H ALA 6 -1.343 -1.918 4.104 48 HA ALA 6 HA ALA 6 0.607 -3.083 2.511 49 1HB ALA 6 1HB ALA 6 -1.051 -3.172 0.771 50 2HB ALA 6 2HB ALA 6 -2.002 -1.914 1.559 51 3HB ALA 6 3HB ALA 6 -1.820 -3.493 2.324 52 H ILE 7 H ILE 7 -0.740 0.210 2.318 53 HA ILE 7 HA ILE 7 0.609 0.904 -0.068 54 HB ILE 7 HB ILE 7 -0.398 2.739 2.113 55 1HG1 ILE 7 2HG1 ILE 7 -1.732 1.837 -0.449 56 2HG1 ILE 7 1HG1 ILE 7 -2.129 1.253 1.160 57 1HG2 ILE 7 1HG2 ILE 7 0.293 3.309 -0.766 58 2HG2 ILE 7 2HG2 ILE 7 1.203 3.842 0.649 59 3HG2 ILE 7 3HG2 ILE 7 -0.428 4.454 0.365 60 1HD1 ILE 7 1HD1 ILE 7 -2.813 3.503 1.811 61 2HD1 ILE 7 2HD1 ILE 7 -3.730 2.915 0.421 62 3HD1 ILE 7 3HD1 ILE 7 -2.424 4.078 0.192 63 H MET 8 H MET 8 1.478 1.318 3.369 64 HA MET 8 HA MET 8 3.781 2.898 2.725 65 1HB MET 8 2HB MET 8 3.021 1.490 5.285 66 2HB MET 8 1HB MET 8 4.425 2.532 5.109 67 1HG MET 8 2HG MET 8 2.765 4.317 4.327 68 2HG MET 8 1HG MET 8 1.526 3.266 5.007 69 1HE MET 8 1HE MET 8 4.547 5.599 5.663 70 2HE MET 8 2HE MET 8 5.216 4.070 6.227 71 3HE MET 8 3HE MET 8 4.876 5.362 7.378 72 H TYR 9 H TYR 9 3.150 -0.477 2.819 73 HA TYR 9 HA TYR 9 5.886 -1.308 2.959 74 1HB TYR 9 2HB TYR 9 4.104 -2.863 3.539 75 2HB TYR 9 1HB TYR 9 3.407 -2.717 1.930 76 HD1 TYR 9 HD1 TYR 9 3.833 -4.425 0.448 77 HD2 TYR 9 HD2 TYR 9 6.683 -3.622 3.506 78 HE1 TYR 9 HE1 TYR 9 5.178 -6.334 -0.315 79 HE2 TYR 9 HE2 TYR 9 8.040 -5.528 2.747 80 HH TYR 9 HH TYR 9 7.288 -7.266 -0.204 81 H LYS 10 H LYS 10 3.639 -0.376 0.455 82 HA LYS 10 HA LYS 10 5.326 -1.105 -1.744 83 1HB LYS 10 2HB LYS 10 2.892 -0.970 -1.986 84 2HB LYS 10 1HB LYS 10 2.937 0.742 -1.610 85 1HG LYS 10 2HG LYS 10 2.692 0.561 -3.946 86 2HG LYS 10 1HG LYS 10 4.360 1.054 -3.654 87 1HD LYS 10 2HD LYS 10 5.112 -1.225 -3.964 88 2HD LYS 10 1HD LYS 10 3.447 -1.771 -4.171 89 1HE LYS 10 2HE LYS 10 3.282 -0.206 -6.129 90 2HE LYS 10 1HE LYS 10 5.017 0.061 -5.976 91 1HZ LYS 10 1HZ LYS 10 3.684 -2.541 -6.507 92 2HZ LYS 10 2HZ LYS 10 5.358 -2.321 -6.307 93 3HZ LYS 10 3HZ LYS 10 4.560 -1.617 -7.627 94 H TYR 11 H TYR 11 4.367 2.016 -0.313 95 HA TYR 11 HA TYR 11 6.838 3.168 -1.438 96 1HB TYR 11 2HB TYR 11 4.195 4.579 -1.003 97 2HB TYR 11 1HB TYR 11 5.671 5.330 -1.594 98 HD1 TYR 11 HD1 TYR 11 6.680 4.141 -3.764 99 HD2 TYR 11 HD2 TYR 11 2.616 3.952 -2.542 100 HE1 TYR 11 HE1 TYR 11 6.017 3.625 -6.073 101 HE2 TYR 11 HE2 TYR 11 1.940 3.432 -4.847 102 HH TYR 11 HH TYR 11 2.799 3.726 -7.137 103 HA PRO 12 HA PRO 12 7.340 3.504 3.114 104 1HB PRO 12 2HB PRO 12 10.141 3.843 2.231 105 2HB PRO 12 1HB PRO 12 9.467 2.752 3.443 106 1HG PRO 12 2HG PRO 12 10.311 1.831 1.085 107 2HG PRO 12 1HG PRO 12 8.867 1.159 1.867 108 1HD PRO 12 2HD PRO 12 9.068 3.121 -0.387 109 2HD PRO 12 1HD PRO 12 7.962 1.745 -0.188 110 H ASN 13 H ASN 13 8.394 5.534 0.464 111 HA ASN 13 HA ASN 13 8.993 7.740 2.267 112 1HB ASN 13 2HB ASN 13 9.290 7.406 -0.712 113 2HB ASN 13 1HB ASN 13 9.612 8.915 0.127 114 1HD2 ASN 13 1HD2 ASN 13 11.433 7.293 -1.393 115 2HD2 ASN 13 2HD2 ASN 13 12.705 6.826 -0.321 116 H ALA 14 H ALA 14 6.219 6.549 1.330 117 HA ALA 14 HA ALA 14 4.986 9.033 0.420 118 1HB ALA 14 1HB ALA 14 3.756 6.311 0.884 119 2HB ALA 14 2HB ALA 14 4.306 6.942 -0.669 120 3HB ALA 14 3HB ALA 14 2.950 7.704 0.162 121 H VAL 15 H VAL 15 3.947 10.388 1.754 122 HA VAL 15 HA VAL 15 3.856 9.660 4.582 123 HB VAL 15 HB VAL 15 3.439 12.392 3.367 124 1HG1 VAL 15 1HG1 VAL 15 3.993 11.491 6.195 125 2HG1 VAL 15 2HG1 VAL 15 2.493 12.195 5.587 126 3HG1 VAL 15 3HG1 VAL 15 3.963 13.169 5.660 127 1HG2 VAL 15 1HG2 VAL 15 5.675 11.593 2.826 128 2HG2 VAL 15 2HG2 VAL 15 5.950 11.168 4.515 129 3HG2 VAL 15 3HG2 VAL 15 5.759 12.860 4.052 130 H SER 16 H SER 16 2.036 8.942 5.380 131 HA SER 16 HA SER 16 -0.491 9.141 4.134 132 1HB SER 16 2HB SER 16 0.031 8.528 7.049 133 2HB SER 16 1HB SER 16 -1.346 8.020 6.075 134 HG SER 16 HG SER 16 0.833 6.667 6.465 135 H ARG 17 H ARG 17 -2.226 10.436 4.526 136 HA ARG 17 HA ARG 17 -3.452 12.237 5.178 137 1HB ARG 17 2HB ARG 17 -1.566 12.327 7.543 138 2HB ARG 17 1HB ARG 17 -3.023 13.294 7.380 139 1HG ARG 17 2HG ARG 17 -4.365 11.241 7.351 140 2HG ARG 17 1HG ARG 17 -2.890 10.293 7.558 141 1HD ARG 17 2HD ARG 17 -4.019 12.325 9.480 142 2HD ARG 17 1HD ARG 17 -3.977 10.575 9.697 143 HE ARG 17 HE ARG 17 -1.364 11.276 9.344 144 1HH1 ARG 17 1HH1 ARG 17 -3.880 12.267 11.568 145 2HH1 ARG 17 2HH1 ARG 17 -2.767 12.646 12.849 146 1HH2 ARG 17 1HH2 ARG 17 0.086 11.770 11.006 147 2HH2 ARG 17 2HH2 ARG 17 -0.509 12.338 12.538 148 H LYS 18 H LYS 18 -0.905 12.384 3.602 149 HA LYS 18 HA LYS 18 -0.680 15.299 3.660 150 1HB LYS 18 2HB LYS 18 1.241 14.340 4.939 151 2HB LYS 18 1HB LYS 18 1.723 13.468 3.490 152 1HG LYS 18 2HG LYS 18 3.082 15.411 3.665 153 2HG LYS 18 1HG LYS 18 1.949 15.667 2.336 154 1HD LYS 18 2HD LYS 18 0.530 17.009 3.795 155 2HD LYS 18 1HD LYS 18 1.640 16.736 5.139 156 1HE LYS 18 2HE LYS 18 3.432 17.824 3.796 157 2HE LYS 18 1HE LYS 18 2.220 18.208 2.577 158 1HZ LYS 18 1HZ LYS 18 2.587 20.079 4.036 159 2HZ LYS 18 2HZ LYS 18 2.210 19.136 5.395 160 3HZ LYS 18 3HZ LYS 18 1.013 19.485 4.246 161 H ASP 19 H ASP 19 0.896 12.605 1.932 162 HA ASP 19 HA ASP 19 0.288 13.961 -0.583 163 1HB ASP 19 2HB ASP 19 2.588 12.882 0.115 164 2HB ASP 19 1HB ASP 19 1.823 11.395 -0.438 165 H PHE 20 H PHE 20 -0.331 10.949 1.127 166 HA PHE 20 HA PHE 20 -2.718 10.698 -0.553 167 1HB PHE 20 2HB PHE 20 -2.596 8.301 -0.572 168 2HB PHE 20 1HB PHE 20 -1.042 8.906 -1.127 169 HD1 PHE 20 HD1 PHE 20 -2.767 6.881 1.267 170 HD2 PHE 20 HD2 PHE 20 0.905 8.895 0.490 171 HE1 PHE 20 HE1 PHE 20 -1.650 5.492 2.959 172 HE2 PHE 20 HE2 PHE 20 2.025 7.503 2.180 173 HZ PHE 20 HZ PHE 20 0.748 5.801 3.416 174 H GLU 21 H GLU 21 -4.584 10.481 0.583 175 HA GLU 21 HA GLU 21 -4.265 10.454 3.496 176 1HB GLU 21 2HB GLU 21 -6.369 11.851 1.841 177 2HB GLU 21 1HB GLU 21 -6.263 11.869 3.590 178 1HG GLU 21 2HG GLU 21 -4.092 12.995 3.450 179 2HG GLU 21 1HG GLU 21 -4.218 12.988 1.693 180 H LEU 22 H LEU 22 -5.233 8.927 4.586 181 HA LEU 22 HA LEU 22 -7.252 7.277 3.231 182 1HB LEU 22 2HB LEU 22 -5.661 6.513 5.672 183 2HB LEU 22 1HB LEU 22 -6.595 5.464 4.629 184 HG LEU 22 HG LEU 22 -4.007 6.835 3.891 185 1HD1 LEU 22 1HD1 LEU 22 -4.658 3.946 4.435 186 2HD1 LEU 22 2HD1 LEU 22 -3.691 5.011 5.456 187 3HD1 LEU 22 3HD1 LEU 22 -3.110 4.557 3.853 188 1HD2 LEU 22 1HD2 LEU 22 -5.712 4.912 2.316 189 2HD2 LEU 22 2HD2 LEU 22 -4.126 5.516 1.839 190 3HD2 LEU 22 3HD2 LEU 22 -5.490 6.626 1.967 191 H ARG 23 H ARG 23 -9.108 6.672 4.400 192 HA ARG 23 HA ARG 23 -9.580 8.165 6.885 193 1HB ARG 23 2HB ARG 23 -10.976 8.504 4.364 194 2HB ARG 23 1HB ARG 23 -12.078 8.036 5.654 195 1HG ARG 23 2HG ARG 23 -12.028 10.397 5.617 196 2HG ARG 23 1HG ARG 23 -11.111 9.891 7.029 197 1HD ARG 23 2HD ARG 23 -9.023 10.211 5.808 198 2HD ARG 23 1HD ARG 23 -9.927 10.698 4.376 199 HE ARG 23 HE ARG 23 -10.801 12.489 6.123 200 1HH1 ARG 23 1HH1 ARG 23 -7.541 11.348 5.583 201 2HH1 ARG 23 2HH1 ARG 23 -6.798 12.869 5.988 202 1HH2 ARG 23 1HH2 ARG 23 -9.846 14.476 6.665 203 2HH2 ARG 23 2HH2 ARG 23 -8.119 14.651 6.609 204 H ASN 24 H ASN 24 -11.540 7.370 8.033 205 HA ASN 24 HA ASN 24 -11.170 4.518 8.356 206 1HB ASN 24 2HB ASN 24 -11.267 6.107 10.289 207 2HB ASN 24 1HB ASN 24 -12.970 6.370 9.927 208 1HD2 ASN 24 1HD2 ASN 24 -14.458 4.772 10.395 209 2HD2 ASN 24 2HD2 ASN 24 -14.065 3.385 11.364 210 H ASP 25 H ASP 25 -12.411 3.007 7.520 211 HA ASP 25 HA ASP 25 -14.958 3.720 6.288 212 1HB ASP 25 2HB ASP 25 -13.483 2.316 4.971 213 2HB ASP 25 1HB ASP 25 -13.345 1.156 6.289 214 H GLY 26 H GLY 26 -13.704 1.390 8.643 215 1HA GLY 26 2HA GLY 26 -15.481 1.462 10.632 216 2HA GLY 26 1HA GLY 26 -16.397 0.595 9.403 217 H ASN 27 H ASN 27 -14.199 -0.762 8.249 218 HA ASN 27 HA ASN 27 -13.309 -2.515 10.452 219 1HB ASN 27 2HB ASN 27 -15.038 -3.428 8.736 220 2HB ASN 27 1HB ASN 27 -13.684 -3.455 7.612 221 1HD2 ASN 27 1HD2 ASN 27 -15.264 -5.660 8.647 222 2HD2 ASN 27 2HD2 ASN 27 -14.154 -6.740 9.425 223 H GLY 28 H GLY 28 -12.007 -0.178 9.531 224 1HA GLY 28 2HA GLY 28 -9.458 -0.413 9.395 225 2HA GLY 28 1HA GLY 28 -9.806 -1.186 7.854 226 H SER 29 H SER 29 -8.230 0.809 7.523 227 HA SER 29 HA SER 29 -9.893 3.119 6.780 228 1HB SER 29 2HB SER 29 -6.894 3.076 7.221 229 2HB SER 29 1HB SER 29 -7.915 4.496 6.983 230 HG SER 29 HG SER 29 -7.336 3.983 9.223 231 H TYR 30 H TYR 30 -9.861 3.838 4.688 232 HA TYR 30 HA TYR 30 -8.315 2.197 2.785 233 1HB TYR 30 2HB TYR 30 -10.177 2.254 1.240 234 2HB TYR 30 1HB TYR 30 -10.732 1.622 2.784 235 HD1 TYR 30 HD1 TYR 30 -11.287 4.031 0.226 236 HD2 TYR 30 HD2 TYR 30 -11.916 3.289 4.369 237 HE1 TYR 30 HE1 TYR 30 -13.071 5.720 0.251 238 HE2 TYR 30 HE2 TYR 30 -13.704 4.977 4.407 239 HH TYR 30 HH TYR 30 -15.085 6.249 1.590 240 H ILE 31 H ILE 31 -8.450 3.327 0.504 241 HA ILE 31 HA ILE 31 -7.095 5.855 0.861 242 HB ILE 31 HB ILE 31 -7.753 4.458 -1.735 243 1HG1 ILE 31 2HG1 ILE 31 -5.247 4.204 -0.060 244 2HG1 ILE 31 1HG1 ILE 31 -6.495 2.972 -0.200 245 1HG2 ILE 31 1HG2 ILE 31 -5.658 6.512 -1.032 246 2HG2 ILE 31 2HG2 ILE 31 -7.102 6.777 -2.010 247 3HG2 ILE 31 3HG2 ILE 31 -5.822 5.715 -2.596 248 1HD1 ILE 31 1HD1 ILE 31 -4.597 2.454 -1.612 249 2HD1 ILE 31 2HD1 ILE 31 -4.769 4.001 -2.440 250 3HD1 ILE 31 3HD1 ILE 31 -6.028 2.776 -2.591 251 H GLU 32 H GLU 32 -8.117 7.781 0.813 252 HA GLU 32 HA GLU 32 -10.525 7.965 -0.867 253 1HB GLU 32 2HB GLU 32 -11.446 9.614 0.585 254 2HB GLU 32 1HB GLU 32 -10.918 8.276 1.593 255 1HG GLU 32 2HG GLU 32 -9.827 9.733 2.842 256 2HG GLU 32 1HG GLU 32 -8.742 10.024 1.483 257 H LYS 33 H LYS 33 -7.466 9.438 0.007 258 HA LYS 33 HA LYS 33 -7.809 11.287 -2.261 259 1HB LYS 33 2HB LYS 33 -7.783 12.320 0.097 260 2HB LYS 33 1HB LYS 33 -6.079 11.883 0.130 261 1HG LYS 33 2HG LYS 33 -6.102 14.104 -0.572 262 2HG LYS 33 1HG LYS 33 -5.884 13.182 -2.057 263 1HD LYS 33 2HD LYS 33 -7.541 14.546 -2.767 264 2HD LYS 33 1HD LYS 33 -8.539 13.297 -2.026 265 1HE LYS 33 2HE LYS 33 -7.732 15.945 -0.850 266 2HE LYS 33 1HE LYS 33 -9.346 15.415 -1.299 267 1HZ LYS 33 1HZ LYS 33 -7.686 14.447 0.959 268 2HZ LYS 33 2HZ LYS 33 -9.104 13.657 0.456 269 3HZ LYS 33 3HZ LYS 33 -9.177 15.251 1.037 270 H TRP 34 H TRP 34 -6.247 11.255 -3.754 271 HA TRP 34 HA TRP 34 -3.700 9.914 -3.143 272 1HB TRP 34 2HB TRP 34 -5.334 8.380 -4.293 273 2HB TRP 34 1HB TRP 34 -5.357 9.495 -5.649 274 HD1 TRP 34 HD1 TRP 34 -3.396 9.332 -7.388 275 HE1 TRP 34 HE1 TRP 34 -1.483 7.643 -7.732 276 HE3 TRP 34 HE3 TRP 34 -3.633 6.910 -2.885 277 HZ2 TRP 34 HZ2 TRP 34 -0.240 5.573 -6.280 278 HZ3 TRP 34 HZ3 TRP 34 -2.042 5.087 -2.446 279 HH2 TRP 34 HH2 TRP 34 -0.380 4.435 -4.110 280 H ASN 35 H ASN 35 -2.237 11.533 -3.379 281 HA ASN 35 HA ASN 35 -2.697 13.494 -5.518 282 1HB ASN 35 2HB ASN 35 -1.013 13.759 -3.019 283 2HB ASN 35 1HB ASN 35 -1.223 15.006 -4.240 284 1HD2 ASN 35 1HD2 ASN 35 -1.847 15.022 -1.393 285 2HD2 ASN 35 2HD2 ASN 35 -3.537 15.389 -1.262 286 H LEU 36 H LEU 36 -0.968 10.811 -4.893 287 HA LEU 36 HA LEU 36 1.590 11.429 -5.929 288 1HB LEU 36 2HB LEU 36 0.004 8.869 -5.767 289 2HB LEU 36 1HB LEU 36 1.605 8.925 -6.475 290 HG LEU 36 HG LEU 36 1.037 9.789 -3.651 291 1HD1 LEU 36 1HD1 LEU 36 2.025 7.121 -4.645 292 2HD1 LEU 36 2HD1 LEU 36 0.459 7.431 -3.894 293 3HD1 LEU 36 3HD1 LEU 36 1.942 7.628 -2.959 294 1HD2 LEU 36 1HD2 LEU 36 3.075 10.684 -4.655 295 2HD2 LEU 36 2HD2 LEU 36 3.583 9.048 -5.080 296 3HD2 LEU 36 3HD2 LEU 36 3.442 9.514 -3.386 297 H ARG 37 H ARG 37 2.392 11.269 -8.020 298 HA ARG 37 HA ARG 37 0.381 11.604 -10.108 299 1HB ARG 37 2HB ARG 37 3.391 11.911 -10.232 300 2HB ARG 37 1HB ARG 37 2.266 12.345 -11.512 301 1HG ARG 37 2HG ARG 37 1.256 14.014 -9.988 302 2HG ARG 37 1HG ARG 37 2.496 13.623 -8.795 303 1HD ARG 37 2HD ARG 37 3.192 15.582 -9.977 304 2HD ARG 37 1HD ARG 37 4.219 14.243 -10.485 305 HE ARG 37 HE ARG 37 1.964 14.616 -12.206 306 1HH1 ARG 37 1HH1 ARG 37 5.234 15.688 -11.516 307 2HH1 ARG 37 2HH1 ARG 37 5.475 16.359 -13.106 308 1HH2 ARG 37 1HH2 ARG 37 2.275 15.449 -14.273 309 2HH2 ARG 37 2HH2 ARG 37 3.780 16.215 -14.692 310 H ALA 38 H ALA 38 0.678 9.074 -8.976 311 HA ALA 38 HA ALA 38 1.710 7.520 -11.252 312 1HB ALA 38 1HB ALA 38 2.321 5.739 -9.641 313 2HB ALA 38 2HB ALA 38 1.860 6.809 -8.316 314 3HB ALA 38 3HB ALA 38 3.218 7.230 -9.358 315 HA PRO 39 HA PRO 39 -2.388 5.919 -11.574 316 1HB PRO 39 2HB PRO 39 -1.805 3.373 -12.441 317 2HB PRO 39 1HB PRO 39 -1.830 4.798 -13.483 318 1HG PRO 39 2HG PRO 39 0.491 3.423 -12.196 319 2HG PRO 39 1HG PRO 39 0.358 4.108 -13.828 320 1HD PRO 39 2HD PRO 39 1.649 5.395 -11.857 321 2HD PRO 39 1HD PRO 39 0.711 6.275 -13.079 322 H LEU 40 H LEU 40 -3.855 4.606 -10.523 323 HA LEU 40 HA LEU 40 -3.194 3.809 -7.896 324 1HB LEU 40 2HB LEU 40 -5.620 3.580 -9.636 325 2HB LEU 40 1HB LEU 40 -5.563 2.712 -8.123 326 HG LEU 40 HG LEU 40 -6.766 4.790 -7.833 327 1HD1 LEU 40 1HD1 LEU 40 -5.517 5.739 -5.976 328 2HD1 LEU 40 2HD1 LEU 40 -4.055 4.921 -6.528 329 3HD1 LEU 40 3HD1 LEU 40 -5.435 3.977 -5.963 330 1HD2 LEU 40 1HD2 LEU 40 -4.246 6.160 -8.765 331 2HD2 LEU 40 2HD2 LEU 40 -5.679 6.961 -8.119 332 3HD2 LEU 40 3HD2 LEU 40 -5.774 6.079 -9.643 333 HA PRO 41 HA PRO 41 -1.703 -0.294 -8.579 334 1HB PRO 41 2HB PRO 41 -2.336 -1.367 -6.146 335 2HB PRO 41 1HB PRO 41 -0.949 -0.306 -6.418 336 1HG PRO 41 2HG PRO 41 -3.659 0.364 -5.335 337 2HG PRO 41 1HG PRO 41 -2.063 0.891 -4.764 338 1HD PRO 41 2HD PRO 41 -3.612 2.487 -6.265 339 2HD PRO 41 1HD PRO 41 -1.846 2.472 -6.444 340 H THR 42 H THR 42 -2.433 -2.563 -8.509 341 HA THR 42 HA THR 42 -5.207 -2.713 -9.372 342 HB THR 42 HB THR 42 -4.621 -5.001 -10.107 343 HG1 THR 42 HG1 THR 42 -1.977 -4.954 -9.951 344 1HG2 THR 42 1HG2 THR 42 -3.045 -4.363 -11.879 345 2HG2 THR 42 2HG2 THR 42 -2.668 -2.879 -11.005 346 3HG2 THR 42 3HG2 THR 42 -4.291 -3.136 -11.646 347 H GLN 43 H GLN 43 -6.626 -4.402 -8.581 348 HA GLN 43 HA GLN 43 -6.790 -4.644 -5.802 349 1HB GLN 43 2HB GLN 43 -8.624 -5.048 -7.481 350 2HB GLN 43 1HB GLN 43 -7.892 -6.601 -7.825 351 1HG GLN 43 2HG GLN 43 -9.786 -6.780 -6.282 352 2HG GLN 43 1HG GLN 43 -8.277 -7.344 -5.568 353 1HE2 GLN 43 1HE2 GLN 43 -7.360 -6.203 -3.886 354 2HE2 GLN 43 2HE2 GLN 43 -8.209 -4.961 -3.029 355 H ALA 44 H ALA 44 -5.531 -6.823 -8.248 356 HA ALA 44 HA ALA 44 -4.782 -8.974 -6.652 357 1HB ALA 44 1HB ALA 44 -4.782 -9.012 -9.099 358 2HB ALA 44 2HB ALA 44 -3.254 -9.586 -8.431 359 3HB ALA 44 3HB ALA 44 -3.366 -7.961 -9.109 360 H GLU 45 H GLU 45 -2.811 -6.107 -7.555 361 HA GLU 45 HA GLU 45 -0.530 -6.976 -6.167 362 1HB GLU 45 2HB GLU 45 -1.046 -4.911 -7.883 363 2HB GLU 45 1HB GLU 45 -0.855 -4.060 -6.350 364 1HG GLU 45 2HG GLU 45 1.265 -5.349 -6.030 365 2HG GLU 45 1HG GLU 45 1.104 -5.898 -7.690 366 H LEU 46 H LEU 46 -3.226 -4.880 -5.202 367 HA LEU 46 HA LEU 46 -2.400 -4.066 -2.705 368 1HB LEU 46 2HB LEU 46 -5.144 -4.943 -3.610 369 2HB LEU 46 1HB LEU 46 -4.828 -4.127 -2.097 370 HG LEU 46 HG LEU 46 -4.280 -2.960 -4.821 371 1HD1 LEU 46 1HD1 LEU 46 -6.516 -2.420 -2.873 372 2HD1 LEU 46 2HD1 LEU 46 -6.665 -3.228 -4.434 373 3HD1 LEU 46 3HD1 LEU 46 -6.209 -1.525 -4.360 374 1HD2 LEU 46 1HD2 LEU 46 -4.203 -1.713 -2.075 375 2HD2 LEU 46 2HD2 LEU 46 -3.961 -0.868 -3.603 376 3HD2 LEU 46 3HD2 LEU 46 -2.802 -2.090 -3.080 377 H GLU 47 H GLU 47 -4.107 -7.074 -3.520 378 HA GLU 47 HA GLU 47 -4.114 -8.189 -0.942 379 1HB GLU 47 2HB GLU 47 -4.153 -9.499 -3.660 380 2HB GLU 47 1HB GLU 47 -4.426 -10.360 -2.150 381 1HG GLU 47 2HG GLU 47 -6.394 -9.029 -1.712 382 2HG GLU 47 1HG GLU 47 -6.100 -8.077 -3.166 383 H THR 48 H THR 48 -1.803 -8.392 -3.591 384 HA THR 48 HA THR 48 -0.151 -10.369 -2.448 385 HB THR 48 HB THR 48 0.681 -8.244 -4.433 386 HG1 THR 48 HG1 THR 48 -1.061 -9.241 -5.358 387 1HG2 THR 48 1HG2 THR 48 1.707 -11.043 -3.927 388 2HG2 THR 48 2HG2 THR 48 2.532 -9.547 -3.488 389 3HG2 THR 48 3HG2 THR 48 2.276 -9.946 -5.187 390 H TRP 49 H TRP 49 -0.146 -6.826 -2.195 391 HA TRP 49 HA TRP 49 2.292 -6.511 -0.837 392 1HB TRP 49 2HB TRP 49 -0.273 -4.944 -0.469 393 2HB TRP 49 1HB TRP 49 1.305 -4.447 0.123 394 HD1 TRP 49 HD1 TRP 49 2.326 -5.670 -3.019 395 HE1 TRP 49 HE1 TRP 49 2.243 -3.889 -4.884 396 HE3 TRP 49 HE3 TRP 49 -0.657 -2.222 -0.715 397 HZ2 TRP 49 HZ2 TRP 49 1.082 -1.359 -5.305 398 HZ3 TRP 49 HZ3 TRP 49 -1.201 -0.146 -1.913 399 HH2 TRP 49 HH2 TRP 49 -0.348 0.279 -4.160 400 H TRP 50 H TRP 50 -0.977 -7.127 0.362 401 HA TRP 50 HA TRP 50 -0.352 -7.181 3.102 402 1HB TRP 50 2HB TRP 50 -2.655 -7.035 2.096 403 2HB TRP 50 1HB TRP 50 -2.539 -8.746 1.708 404 HD1 TRP 50 HD1 TRP 50 -3.232 -10.419 3.566 405 HE1 TRP 50 HE1 TRP 50 -3.951 -10.186 6.026 406 HE3 TRP 50 HE3 TRP 50 -2.164 -5.467 4.269 407 HZ2 TRP 50 HZ2 TRP 50 -4.046 -8.181 8.000 408 HZ3 TRP 50 HZ3 TRP 50 -2.599 -4.469 6.477 409 HH2 TRP 50 HH2 TRP 50 -3.522 -5.801 8.302 410 H GLU 51 H GLU 51 -0.393 -9.718 0.635 411 HA GLU 51 HA GLU 51 0.198 -11.900 2.273 412 1HB GLU 51 2HB GLU 51 0.710 -11.303 -0.634 413 2HB GLU 51 1HB GLU 51 1.129 -12.838 0.091 414 1HG GLU 51 2HG GLU 51 -1.175 -13.253 0.663 415 2HG GLU 51 1HG GLU 51 -1.631 -11.664 0.048 416 H GLU 52 H GLU 52 2.372 -9.794 0.397 417 HA GLU 52 HA GLU 52 4.768 -11.010 1.200 418 1HB GLU 52 2HB GLU 52 4.158 -8.208 0.274 419 2HB GLU 52 1HB GLU 52 5.791 -8.752 0.627 420 1HG GLU 52 2HG GLU 52 5.537 -10.519 -1.068 421 2HG GLU 52 1HG GLU 52 3.939 -9.883 -1.450 422 H LEU 53 H LEU 53 2.944 -8.330 2.623 423 HA LEU 53 HA LEU 53 4.853 -7.606 4.558 424 1HB LEU 53 2HB LEU 53 2.989 -6.172 3.877 425 2HB LEU 53 1HB LEU 53 1.851 -7.292 4.598 426 HG LEU 53 HG LEU 53 2.874 -6.830 6.816 427 1HD1 LEU 53 1HD1 LEU 53 4.314 -4.884 7.076 428 2HD1 LEU 53 2HD1 LEU 53 4.342 -4.661 5.327 429 3HD1 LEU 53 3HD1 LEU 53 5.073 -6.097 6.045 430 1HD2 LEU 53 1HD2 LEU 53 1.863 -4.611 7.077 431 2HD2 LEU 53 2HD2 LEU 53 0.841 -5.698 6.137 432 3HD2 LEU 53 3HD2 LEU 53 1.786 -4.451 5.323 433 H GLN 54 H GLN 54 2.283 -10.004 4.582 434 HA GLN 54 HA GLN 54 2.549 -10.527 7.403 435 1HB GLN 54 2HB GLN 54 0.699 -11.229 5.301 436 2HB GLN 54 1HB GLN 54 1.162 -12.659 6.210 437 1HG GLN 54 2HG GLN 54 -0.831 -11.687 7.155 438 2HG GLN 54 1HG GLN 54 0.508 -11.537 8.290 439 1HE2 GLN 54 1HE2 GLN 54 0.096 -9.499 5.466 440 2HE2 GLN 54 2HE2 GLN 54 -0.252 -8.048 6.342 441 H LYS 55 H LYS 55 3.700 -11.953 4.404 442 HA LYS 55 HA LYS 55 4.783 -14.257 5.780 443 1HB LYS 55 2HB LYS 55 4.839 -13.375 2.920 444 2HB LYS 55 1HB LYS 55 5.692 -14.795 3.488 445 1HG LYS 55 2HG LYS 55 3.571 -15.762 4.243 446 2HG LYS 55 1HG LYS 55 2.724 -14.327 3.663 447 1HD LYS 55 2HD LYS 55 3.579 -14.809 1.387 448 2HD LYS 55 1HD LYS 55 4.265 -16.314 2.005 449 1HE LYS 55 2HE LYS 55 2.017 -17.033 2.694 450 2HE LYS 55 1HE LYS 55 1.347 -15.546 2.023 451 1HZ LYS 55 1HZ LYS 55 2.256 -16.240 -0.155 452 2HZ LYS 55 2HZ LYS 55 1.069 -17.291 0.443 453 3HZ LYS 55 3HZ LYS 55 2.707 -17.726 0.533 454 H ASN 56 H ASN 56 5.770 -11.169 5.146 455 HA ASN 56 HA ASN 56 8.503 -11.345 4.641 456 1HB ASN 56 2HB ASN 56 7.038 -9.255 4.686 457 2HB ASN 56 1HB ASN 56 7.217 -9.271 6.434 458 1HD2 ASN 56 1HD2 ASN 56 8.034 -7.300 4.439 459 2HD2 ASN 56 2HD2 ASN 56 9.734 -7.075 4.655 460 HA PRO 57 HA PRO 57 10.091 -13.403 8.295 461 1HB PRO 57 2HB PRO 57 12.514 -11.864 7.482 462 2HB PRO 57 1HB PRO 57 12.352 -13.581 7.871 463 1HG PRO 57 2HG PRO 57 12.591 -12.785 5.347 464 2HG PRO 57 1HG PRO 57 11.486 -14.102 5.781 465 1HD PRO 57 2HD PRO 57 10.876 -11.264 5.092 466 2HD PRO 57 1HD PRO 57 9.962 -12.738 4.715 467 HA PRO 58 HA PRO 58 9.732 -10.729 11.754 468 1HB PRO 58 2HB PRO 58 12.319 -11.243 12.859 469 2HB PRO 58 1HB PRO 58 10.770 -11.934 13.343 470 1HG PRO 58 2HG PRO 58 12.869 -13.049 11.584 471 2HG PRO 58 1HG PRO 58 11.656 -13.892 12.562 472 1HD PRO 58 2HD PRO 58 11.484 -13.776 9.886 473 2HD PRO 58 1HD PRO 58 10.032 -13.725 10.911 474 H TYR 59 H TYR 59 10.060 -8.649 12.154 475 HA TYR 59 HA TYR 59 11.734 -7.141 10.413 476 1HB TYR 59 2HB TYR 59 9.548 -6.311 11.221 477 2HB TYR 59 1HB TYR 59 10.187 -6.250 12.860 478 HD1 TYR 59 HD1 TYR 59 10.392 -4.738 9.501 479 HD2 TYR 59 HD2 TYR 59 11.561 -4.428 13.580 480 HE1 TYR 59 HE1 TYR 59 11.173 -2.441 9.099 481 HE2 TYR 59 HE2 TYR 59 12.350 -2.133 13.187 482 HH TYR 59 HH TYR 59 13.107 -0.736 11.317 483 H GLU 60 H GLU 60 13.769 -6.503 10.693 484 HA GLU 60 HA GLU 60 15.044 -6.989 13.272 485 1HB GLU 60 2HB GLU 60 17.152 -6.483 11.919 486 2HB GLU 60 1HB GLU 60 16.294 -7.969 11.546 487 1HG GLU 60 2HG GLU 60 15.260 -6.881 9.621 488 2HG GLU 60 1HG GLU 60 16.131 -5.396 9.997 Start of MODEL 18 1 1H MET 1 1H MET 1 -8.551 -5.761 6.901 2 2H MET 1 2H MET 1 -7.277 -5.611 8.006 3 3H MET 1 3H MET 1 -7.478 -7.056 7.138 4 HA MET 1 HA MET 1 -5.670 -5.790 6.224 5 1HB MET 1 2HB MET 1 -7.406 -7.102 4.817 6 2HB MET 1 1HB MET 1 -7.986 -5.519 4.321 7 1HG MET 1 2HG MET 1 -5.154 -6.479 3.974 8 2HG MET 1 1HG MET 1 -6.404 -6.595 2.739 9 1HE MET 1 1HE MET 1 -3.579 -5.198 2.233 10 2HE MET 1 2HE MET 1 -4.088 -3.769 1.334 11 3HE MET 1 3HE MET 1 -4.849 -5.328 1.017 12 H ILE 2 H ILE 2 -4.788 -3.850 6.234 13 HA ILE 2 HA ILE 2 -6.559 -1.502 6.055 14 HB ILE 2 HB ILE 2 -3.891 -1.576 7.489 15 1HG1 ILE 2 2HG1 ILE 2 -5.515 -1.303 9.544 16 2HG1 ILE 2 1HG1 ILE 2 -6.646 -2.151 8.497 17 1HG2 ILE 2 1HG2 ILE 2 -4.584 0.630 6.727 18 2HG2 ILE 2 2HG2 ILE 2 -4.650 0.528 8.484 19 3HG2 ILE 2 3HG2 ILE 2 -6.137 0.439 7.538 20 1HD1 ILE 2 1HD1 ILE 2 -3.947 -3.155 9.353 21 2HD1 ILE 2 2HD1 ILE 2 -5.081 -4.003 8.299 22 3HD1 ILE 2 3HD1 ILE 2 -5.506 -3.685 9.981 23 H LEU 3 H LEU 3 -6.088 -0.028 4.489 24 HA LEU 3 HA LEU 3 -4.357 -0.657 2.400 25 1HB LEU 3 2HB LEU 3 -6.108 1.528 3.188 26 2HB LEU 3 1HB LEU 3 -4.733 2.065 2.262 27 HG LEU 3 HG LEU 3 -6.629 1.674 0.811 28 1HD1 LEU 3 1HD1 LEU 3 -5.602 0.120 -0.782 29 2HD1 LEU 3 2HD1 LEU 3 -4.484 -0.418 0.472 30 3HD1 LEU 3 3HD1 LEU 3 -4.423 1.247 -0.110 31 1HD2 LEU 3 1HD2 LEU 3 -6.544 -1.171 1.813 32 2HD2 LEU 3 2HD2 LEU 3 -7.572 -0.563 0.515 33 3HD2 LEU 3 3HD2 LEU 3 -7.801 0.016 2.167 34 H TYR 4 H TYR 4 -3.903 1.291 5.254 35 HA TYR 4 HA TYR 4 -1.656 2.762 4.638 36 1HB TYR 4 2HB TYR 4 -3.009 2.924 6.736 37 2HB TYR 4 1HB TYR 4 -2.226 1.456 7.304 38 HD1 TYR 4 HD1 TYR 4 -1.626 4.981 6.362 39 HD2 TYR 4 HD2 TYR 4 -0.074 1.534 8.316 40 HE1 TYR 4 HE1 TYR 4 0.192 6.339 7.310 41 HE2 TYR 4 HE2 TYR 4 1.749 2.886 9.270 42 HH TYR 4 HH TYR 4 1.729 6.282 9.225 43 H ASP 5 H ASP 5 -1.744 -0.464 6.129 44 HA ASP 5 HA ASP 5 1.028 -0.827 6.293 45 1HB ASP 5 2HB ASP 5 -1.286 -2.749 6.191 46 2HB ASP 5 1HB ASP 5 0.373 -3.321 6.288 47 H ALA 6 H ALA 6 -1.287 -1.871 3.836 48 HA ALA 6 HA ALA 6 0.468 -3.286 2.194 49 1HB ALA 6 1HB ALA 6 -1.214 -3.037 0.452 50 2HB ALA 6 2HB ALA 6 -1.986 -1.740 1.365 51 3HB ALA 6 3HB ALA 6 -1.973 -3.384 2.003 52 H ILE 7 H ILE 7 -0.561 0.123 1.946 53 HA ILE 7 HA ILE 7 0.973 0.735 -0.339 54 HB ILE 7 HB ILE 7 0.074 2.614 1.858 55 1HG1 ILE 7 2HG1 ILE 7 -1.221 1.973 -0.798 56 2HG1 ILE 7 1HG1 ILE 7 -1.762 1.348 0.756 57 1HG2 ILE 7 1HG2 ILE 7 0.304 4.372 0.163 58 2HG2 ILE 7 2HG2 ILE 7 0.946 3.185 -0.971 59 3HG2 ILE 7 3HG2 ILE 7 1.846 3.583 0.492 60 1HD1 ILE 7 1HD1 ILE 7 -1.679 4.255 -0.021 61 2HD1 ILE 7 2HD1 ILE 7 -2.283 3.597 1.499 62 3HD1 ILE 7 3HD1 ILE 7 -3.116 3.235 -0.014 63 H MET 8 H MET 8 1.678 0.969 3.115 64 HA MET 8 HA MET 8 4.121 2.381 2.818 65 1HB MET 8 2HB MET 8 2.721 2.221 4.904 66 2HB MET 8 1HB MET 8 3.329 0.584 5.106 67 1HG MET 8 2HG MET 8 4.575 2.106 6.499 68 2HG MET 8 1HG MET 8 5.618 1.467 5.231 69 1HE MET 8 1HE MET 8 7.010 5.096 5.747 70 2HE MET 8 2HE MET 8 7.398 3.377 5.734 71 3HE MET 8 3HE MET 8 6.360 4.036 6.997 72 H TYR 9 H TYR 9 3.262 -0.973 2.601 73 HA TYR 9 HA TYR 9 5.901 -1.997 2.921 74 1HB TYR 9 2HB TYR 9 4.029 -3.494 3.268 75 2HB TYR 9 1HB TYR 9 3.459 -3.230 1.621 76 HD1 TYR 9 HD1 TYR 9 4.118 -4.687 -0.068 77 HD2 TYR 9 HD2 TYR 9 6.419 -4.504 3.505 78 HE1 TYR 9 HE1 TYR 9 5.501 -6.557 -0.864 79 HE2 TYR 9 HE2 TYR 9 7.805 -6.374 2.718 80 HH TYR 9 HH TYR 9 7.702 -7.488 -0.516 81 H LYS 10 H LYS 10 3.915 -1.177 0.086 82 HA LYS 10 HA LYS 10 5.948 -1.963 -1.761 83 1HB LYS 10 2HB LYS 10 3.520 -1.855 -2.352 84 2HB LYS 10 1HB LYS 10 3.634 -0.099 -2.301 85 1HG LYS 10 2HG LYS 10 5.461 -0.286 -4.029 86 2HG LYS 10 1HG LYS 10 5.020 -1.985 -4.186 87 1HD LYS 10 2HD LYS 10 2.708 -1.272 -4.739 88 2HD LYS 10 1HD LYS 10 3.260 0.405 -4.709 89 1HE LYS 10 2HE LYS 10 3.264 -0.295 -6.978 90 2HE LYS 10 1HE LYS 10 4.943 -0.219 -6.456 91 1HZ LYS 10 1HZ LYS 10 4.783 -2.667 -6.049 92 2HZ LYS 10 2HZ LYS 10 4.684 -2.204 -7.672 93 3HZ LYS 10 3HZ LYS 10 3.274 -2.643 -6.834 94 H TYR 11 H TYR 11 4.803 1.184 -0.580 95 HA TYR 11 HA TYR 11 7.309 2.336 -1.619 96 1HB TYR 11 2HB TYR 11 4.600 3.635 -1.284 97 2HB TYR 11 1HB TYR 11 6.076 4.530 -1.618 98 HD1 TYR 11 HD1 TYR 11 7.372 3.862 -3.766 99 HD2 TYR 11 HD2 TYR 11 3.308 2.833 -3.055 100 HE1 TYR 11 HE1 TYR 11 7.039 3.538 -6.180 101 HE2 TYR 11 HE2 TYR 11 2.963 2.511 -5.469 102 HH TYR 11 HH TYR 11 3.963 3.253 -7.595 103 HA PRO 12 HA PRO 12 7.799 2.755 2.929 104 1HB PRO 12 2HB PRO 12 10.615 3.030 2.113 105 2HB PRO 12 1HB PRO 12 9.887 1.916 3.266 106 1HG PRO 12 2HG PRO 12 10.799 1.061 0.902 107 2HG PRO 12 1HG PRO 12 9.344 0.363 1.640 108 1HD PRO 12 2HD PRO 12 9.563 2.394 -0.557 109 2HD PRO 12 1HD PRO 12 8.479 0.992 -0.423 110 H ASN 13 H ASN 13 8.667 4.624 0.208 111 HA ASN 13 HA ASN 13 9.470 6.950 1.766 112 1HB ASN 13 2HB ASN 13 9.366 6.512 -1.225 113 2HB ASN 13 1HB ASN 13 10.035 7.917 -0.415 114 1HD2 ASN 13 1HD2 ASN 13 11.279 5.966 -2.212 115 2HD2 ASN 13 2HD2 ASN 13 12.627 5.313 -1.343 116 H ALA 14 H ALA 14 6.625 5.693 1.190 117 HA ALA 14 HA ALA 14 5.267 7.880 -0.123 118 1HB ALA 14 1HB ALA 14 3.246 6.562 0.249 119 2HB ALA 14 2HB ALA 14 4.163 5.436 1.250 120 3HB ALA 14 3HB ALA 14 4.524 5.579 -0.471 121 H VAL 15 H VAL 15 3.965 9.403 0.814 122 HA VAL 15 HA VAL 15 4.166 9.615 3.738 123 HB VAL 15 HB VAL 15 3.562 11.807 1.735 124 1HG1 VAL 15 1HG1 VAL 15 4.228 11.964 4.670 125 2HG1 VAL 15 2HG1 VAL 15 2.648 12.258 3.942 126 3HG1 VAL 15 3HG1 VAL 15 3.996 13.337 3.589 127 1HG2 VAL 15 1HG2 VAL 15 5.843 12.595 2.151 128 2HG2 VAL 15 2HG2 VAL 15 5.829 10.988 1.428 129 3HG2 VAL 15 3HG2 VAL 15 6.149 11.176 3.153 130 H SER 16 H SER 16 2.313 8.240 4.130 131 HA SER 16 HA SER 16 -0.241 9.034 3.026 132 1HB SER 16 2HB SER 16 0.156 7.119 5.324 133 2HB SER 16 1HB SER 16 -1.109 7.103 4.097 134 HG SER 16 HG SER 16 0.968 5.645 4.036 135 H ARG 17 H ARG 17 1.090 10.990 4.362 136 HA ARG 17 HA ARG 17 -0.337 11.443 6.827 137 1HB ARG 17 2HB ARG 17 1.959 12.929 5.572 138 2HB ARG 17 1HB ARG 17 1.115 13.495 7.004 139 1HG ARG 17 2HG ARG 17 1.761 11.399 8.159 140 2HG ARG 17 1HG ARG 17 2.700 10.951 6.732 141 1HD ARG 17 2HD ARG 17 4.100 12.888 6.980 142 2HD ARG 17 1HD ARG 17 3.098 13.493 8.296 143 HE ARG 17 HE ARG 17 4.728 11.040 8.483 144 1HH1 ARG 17 1HH1 ARG 17 3.403 13.978 9.868 145 2HH1 ARG 17 2HH1 ARG 17 4.226 13.773 11.386 146 1HH2 ARG 17 1HH2 ARG 17 5.803 10.775 10.496 147 2HH2 ARG 17 2HH2 ARG 17 5.570 11.968 11.745 148 H LYS 18 H LYS 18 0.257 12.926 3.707 149 HA LYS 18 HA LYS 18 -2.022 14.705 4.066 150 1HB LYS 18 2HB LYS 18 -0.045 15.736 5.155 151 2HB LYS 18 1HB LYS 18 0.806 15.666 3.621 152 1HG LYS 18 2HG LYS 18 -0.884 17.166 2.650 153 2HG LYS 18 1HG LYS 18 -1.648 17.289 4.242 154 1HD LYS 18 2HD LYS 18 0.505 18.100 5.158 155 2HD LYS 18 1HD LYS 18 1.173 18.079 3.528 156 1HE LYS 18 2HE LYS 18 -0.501 19.706 2.813 157 2HE LYS 18 1HE LYS 18 -1.176 19.729 4.444 158 1HZ LYS 18 1HZ LYS 18 1.609 20.491 3.752 159 2HZ LYS 18 2HZ LYS 18 0.885 20.603 5.282 160 3HZ LYS 18 3HZ LYS 18 0.341 21.588 4.013 161 H ASP 19 H ASP 19 0.785 13.851 2.010 162 HA ASP 19 HA ASP 19 -0.259 14.875 -0.397 163 1HB ASP 19 2HB ASP 19 1.711 12.629 0.086 164 2HB ASP 19 1HB ASP 19 1.335 13.272 -1.509 165 H PHE 20 H PHE 20 -0.720 11.895 1.311 166 HA PHE 20 HA PHE 20 -3.264 11.695 0.028 167 1HB PHE 20 2HB PHE 20 -3.063 9.304 -0.579 168 2HB PHE 20 1HB PHE 20 -2.040 10.343 -1.554 169 HD1 PHE 20 HD1 PHE 20 0.424 10.396 -1.091 170 HD2 PHE 20 HD2 PHE 20 -2.192 7.541 0.663 171 HE1 PHE 20 HE1 PHE 20 2.345 8.935 -0.609 172 HE2 PHE 20 HE2 PHE 20 -0.281 6.080 1.155 173 HZ PHE 20 HZ PHE 20 1.989 6.777 0.518 174 H GLU 21 H GLU 21 -4.708 10.347 1.207 175 HA GLU 21 HA GLU 21 -3.842 9.716 3.920 176 1HB GLU 21 2HB GLU 21 -4.370 12.145 3.894 177 2HB GLU 21 1HB GLU 21 -5.989 11.766 3.323 178 1HG GLU 21 2HG GLU 21 -6.315 10.435 5.419 179 2HG GLU 21 1HG GLU 21 -4.775 11.081 5.984 180 H LEU 22 H LEU 22 -5.256 8.353 5.010 181 HA LEU 22 HA LEU 22 -7.201 7.027 3.268 182 1HB LEU 22 2HB LEU 22 -6.209 6.118 5.959 183 2HB LEU 22 1HB LEU 22 -7.059 5.164 4.761 184 HG LEU 22 HG LEU 22 -4.251 6.240 4.485 185 1HD1 LEU 22 1HD1 LEU 22 -5.282 3.441 4.908 186 2HD1 LEU 22 2HD1 LEU 22 -4.431 4.427 6.097 187 3HD1 LEU 22 3HD1 LEU 22 -3.600 3.892 4.638 188 1HD2 LEU 22 1HD2 LEU 22 -4.150 4.897 2.449 189 2HD2 LEU 22 2HD2 LEU 22 -5.408 6.131 2.331 190 3HD2 LEU 22 3HD2 LEU 22 -5.845 4.451 2.650 191 H ARG 23 H ARG 23 -9.284 6.549 3.985 192 HA ARG 23 HA ARG 23 -10.189 7.842 6.451 193 1HB ARG 23 2HB ARG 23 -11.206 8.377 3.705 194 2HB ARG 23 1HB ARG 23 -12.379 8.277 5.009 195 1HG ARG 23 2HG ARG 23 -11.959 10.483 5.116 196 2HG ARG 23 1HG ARG 23 -10.654 9.931 6.165 197 1HD ARG 23 2HD ARG 23 -9.121 9.956 4.239 198 2HD ARG 23 1HD ARG 23 -10.428 10.566 3.223 199 HE ARG 23 HE ARG 23 -8.989 12.032 5.317 200 1HH1 ARG 23 1HH1 ARG 23 -11.546 11.993 2.894 201 2HH1 ARG 23 2HH1 ARG 23 -11.637 13.733 2.805 202 1HH2 ARG 23 1HH2 ARG 23 -9.150 14.305 5.206 203 2HH2 ARG 23 2HH2 ARG 23 -10.295 15.034 4.117 204 H ASN 24 H ASN 24 -12.453 7.132 6.968 205 HA ASN 24 HA ASN 24 -12.474 4.225 6.798 206 1HB ASN 24 2HB ASN 24 -12.801 5.264 8.979 207 2HB ASN 24 1HB ASN 24 -14.191 6.158 8.372 208 1HD2 ASN 24 1HD2 ASN 24 -15.603 5.297 9.836 209 2HD2 ASN 24 2HD2 ASN 24 -16.141 3.651 9.769 210 H ASP 25 H ASP 25 -13.710 3.110 5.438 211 HA ASP 25 HA ASP 25 -15.905 4.505 4.057 212 1HB ASP 25 2HB ASP 25 -14.120 3.375 2.686 213 2HB ASP 25 1HB ASP 25 -14.652 1.837 3.356 214 H GLY 26 H GLY 26 -15.270 2.279 6.504 215 1HA GLY 26 2HA GLY 26 -17.329 1.702 7.816 216 2HA GLY 26 1HA GLY 26 -17.967 1.091 6.296 217 H ASN 27 H ASN 27 -16.049 -0.344 5.208 218 HA ASN 27 HA ASN 27 -15.729 -2.582 7.041 219 1HB ASN 27 2HB ASN 27 -16.474 -2.609 4.516 220 2HB ASN 27 1HB ASN 27 -14.747 -2.545 4.200 221 1HD2 ASN 27 1HD2 ASN 27 -16.650 -4.620 3.568 222 2HD2 ASN 27 2HD2 ASN 27 -16.094 -6.061 4.353 223 H GLY 28 H GLY 28 -14.069 0.103 6.782 224 1HA GLY 28 2HA GLY 28 -11.879 -0.330 8.136 225 2HA GLY 28 1HA GLY 28 -11.395 -1.077 6.620 226 H SER 29 H SER 29 -9.693 0.643 6.965 227 HA SER 29 HA SER 29 -10.582 3.268 6.015 228 1HB SER 29 2HB SER 29 -7.918 2.440 7.192 229 2HB SER 29 1HB SER 29 -8.392 4.083 6.765 230 HG SER 29 HG SER 29 -10.192 2.842 8.413 231 H TYR 30 H TYR 30 -10.248 3.845 3.981 232 HA TYR 30 HA TYR 30 -8.308 2.303 2.377 233 1HB TYR 30 2HB TYR 30 -9.807 2.279 0.523 234 2HB TYR 30 1HB TYR 30 -10.751 1.779 1.915 235 HD1 TYR 30 HD1 TYR 30 -11.711 4.087 3.207 236 HD2 TYR 30 HD2 TYR 30 -11.019 3.548 -0.958 237 HE1 TYR 30 HE1 TYR 30 -13.344 5.853 2.714 238 HE2 TYR 30 HE2 TYR 30 -12.649 5.320 -1.460 239 HH TYR 30 HH TYR 30 -13.859 7.436 0.913 240 H ILE 31 H ILE 31 -8.040 3.571 0.161 241 HA ILE 31 HA ILE 31 -6.826 6.083 0.848 242 HB ILE 31 HB ILE 31 -7.229 4.918 -1.915 243 1HG1 ILE 31 2HG1 ILE 31 -4.843 4.595 -0.082 244 2HG1 ILE 31 1HG1 ILE 31 -6.051 3.347 -0.366 245 1HG2 ILE 31 1HG2 ILE 31 -5.312 6.311 -2.517 246 2HG2 ILE 31 2HG2 ILE 31 -5.228 6.923 -0.866 247 3HG2 ILE 31 3HG2 ILE 31 -6.631 7.290 -1.872 248 1HD1 ILE 31 1HD1 ILE 31 -5.453 3.352 -2.752 249 2HD1 ILE 31 2HD1 ILE 31 -4.101 2.925 -1.703 250 3HD1 ILE 31 3HD1 ILE 31 -4.192 4.537 -2.409 251 H GLU 32 H GLU 32 -7.890 8.003 0.892 252 HA GLU 32 HA GLU 32 -10.141 8.303 -0.981 253 1HB GLU 32 2HB GLU 32 -10.954 8.157 1.331 254 2HB GLU 32 1HB GLU 32 -9.947 9.536 1.766 255 1HG GLU 32 2HG GLU 32 -11.228 11.019 0.495 256 2HG GLU 32 1HG GLU 32 -11.995 9.715 -0.410 257 H LYS 33 H LYS 33 -7.673 10.107 0.862 258 HA LYS 33 HA LYS 33 -7.742 12.185 -1.178 259 1HB LYS 33 2HB LYS 33 -6.208 11.916 1.403 260 2HB LYS 33 1HB LYS 33 -5.791 13.135 0.208 261 1HG LYS 33 2HG LYS 33 -8.403 13.638 0.417 262 2HG LYS 33 1HG LYS 33 -8.113 12.976 2.022 263 1HD LYS 33 2HD LYS 33 -6.569 15.227 0.772 264 2HD LYS 33 1HD LYS 33 -7.853 15.419 1.955 265 1HE LYS 33 2HE LYS 33 -6.544 14.189 3.595 266 2HE LYS 33 1HE LYS 33 -5.274 13.925 2.402 267 1HZ LYS 33 1HZ LYS 33 -4.801 16.245 2.349 268 2HZ LYS 33 2HZ LYS 33 -4.831 15.772 3.978 269 3HZ LYS 33 3HZ LYS 33 -6.144 16.613 3.314 270 H TRP 34 H TRP 34 -6.316 12.372 -2.781 271 HA TRP 34 HA TRP 34 -3.903 10.764 -2.840 272 1HB TRP 34 2HB TRP 34 -5.770 9.270 -3.598 273 2HB TRP 34 1HB TRP 34 -6.096 10.399 -4.901 274 HD1 TRP 34 HD1 TRP 34 -5.019 9.787 -7.120 275 HE1 TRP 34 HE1 TRP 34 -3.091 8.267 -7.888 276 HE3 TRP 34 HE3 TRP 34 -3.222 8.387 -2.540 277 HZ2 TRP 34 HZ2 TRP 34 -1.066 6.709 -6.710 278 HZ3 TRP 34 HZ3 TRP 34 -1.281 6.877 -2.453 279 HH2 TRP 34 HH2 TRP 34 -0.227 6.056 -4.494 280 H ASN 35 H ASN 35 -2.473 12.268 -3.423 281 HA ASN 35 HA ASN 35 -3.314 14.363 -5.309 282 1HB ASN 35 2HB ASN 35 -1.196 14.306 -3.166 283 2HB ASN 35 1HB ASN 35 -1.259 15.571 -4.386 284 1HD2 ASN 35 1HD2 ASN 35 -1.529 17.046 -2.642 285 2HD2 ASN 35 2HD2 ASN 35 -3.092 17.271 -1.923 286 H LEU 36 H LEU 36 -1.805 11.533 -5.458 287 HA LEU 36 HA LEU 36 0.494 12.377 -7.041 288 1HB LEU 36 2HB LEU 36 -0.414 9.628 -6.180 289 2HB LEU 36 1HB LEU 36 1.055 9.966 -7.071 290 HG LEU 36 HG LEU 36 0.438 10.916 -4.283 291 1HD1 LEU 36 1HD1 LEU 36 2.368 8.831 -5.277 292 2HD1 LEU 36 2HD1 LEU 36 0.884 8.529 -4.371 293 3HD1 LEU 36 3HD1 LEU 36 2.222 9.389 -3.611 294 1HD2 LEU 36 1HD2 LEU 36 2.774 11.670 -4.260 295 2HD2 LEU 36 2HD2 LEU 36 1.813 12.528 -5.464 296 3HD2 LEU 36 3HD2 LEU 36 2.915 11.248 -5.966 297 H ARG 37 H ARG 37 0.780 11.841 -9.191 298 HA ARG 37 HA ARG 37 -1.662 11.593 -10.721 299 1HB ARG 37 2HB ARG 37 1.219 11.887 -11.575 300 2HB ARG 37 1HB ARG 37 -0.146 11.862 -12.677 301 1HG ARG 37 2HG ARG 37 -1.015 13.901 -11.640 302 2HG ARG 37 1HG ARG 37 0.377 13.930 -10.552 303 1HD ARG 37 2HD ARG 37 1.879 14.103 -12.452 304 2HD ARG 37 1HD ARG 37 0.515 14.004 -13.561 305 HE ARG 37 HE ARG 37 0.710 16.224 -11.644 306 1HH1 ARG 37 1HH1 ARG 37 0.548 15.020 -14.916 307 2HH1 ARG 37 2HH1 ARG 37 0.380 16.595 -15.631 308 1HH2 ARG 37 1HH2 ARG 37 0.516 18.291 -12.559 309 2HH2 ARG 37 2HH2 ARG 37 0.395 18.466 -14.286 310 H ALA 38 H ALA 38 -1.392 9.301 -9.343 311 HA ALA 38 HA ALA 38 -0.537 7.367 -11.393 312 1HB ALA 38 1HB ALA 38 0.179 5.846 -9.614 313 2HB ALA 38 2HB ALA 38 -0.218 7.068 -8.406 314 3HB ALA 38 3HB ALA 38 1.079 7.363 -9.565 315 HA PRO 39 HA PRO 39 -4.654 5.716 -10.899 316 1HB PRO 39 2HB PRO 39 -4.193 3.183 -11.787 317 2HB PRO 39 1HB PRO 39 -4.352 4.571 -12.867 318 1HG PRO 39 2HG PRO 39 -1.878 3.215 -11.880 319 2HG PRO 39 1HG PRO 39 -2.249 3.827 -13.502 320 1HD PRO 39 2HD PRO 39 -0.685 5.180 -11.752 321 2HD PRO 39 1HD PRO 39 -1.718 5.995 -12.942 322 H LEU 40 H LEU 40 -5.756 4.566 -9.354 323 HA LEU 40 HA LEU 40 -4.400 3.784 -7.016 324 1HB LEU 40 2HB LEU 40 -7.201 3.694 -7.990 325 2HB LEU 40 1HB LEU 40 -6.787 2.636 -6.660 326 HG LEU 40 HG LEU 40 -6.007 4.605 -5.367 327 1HD1 LEU 40 1HD1 LEU 40 -5.417 6.069 -7.213 328 2HD1 LEU 40 2HD1 LEU 40 -6.584 6.848 -6.146 329 3HD1 LEU 40 3HD1 LEU 40 -7.114 6.176 -7.688 330 1HD2 LEU 40 1HD2 LEU 40 -8.259 3.779 -5.043 331 2HD2 LEU 40 2HD2 LEU 40 -8.838 4.759 -6.391 332 3HD2 LEU 40 3HD2 LEU 40 -8.234 5.538 -4.929 333 HA PRO 41 HA PRO 41 -2.974 -0.256 -8.055 334 1HB PRO 41 2HB PRO 41 -2.975 -1.278 -5.487 335 2HB PRO 41 1HB PRO 41 -1.686 -0.289 -6.180 336 1HG PRO 41 2HG PRO 41 -3.953 0.513 -4.404 337 2HG PRO 41 1HG PRO 41 -2.260 1.042 -4.367 338 1HD PRO 41 2HD PRO 41 -4.181 2.586 -5.404 339 2HD PRO 41 1HD PRO 41 -2.559 2.529 -6.125 340 H THR 42 H THR 42 -3.588 -2.488 -7.974 341 HA THR 42 HA THR 42 -6.484 -2.706 -8.075 342 HB THR 42 HB THR 42 -6.038 -4.902 -9.153 343 HG1 THR 42 HG1 THR 42 -3.947 -5.544 -9.538 344 1HG2 THR 42 1HG2 THR 42 -4.546 -2.555 -10.345 345 2HG2 THR 42 2HG2 THR 42 -6.267 -2.892 -10.530 346 3HG2 THR 42 3HG2 THR 42 -5.077 -3.987 -11.229 347 H GLN 43 H GLN 43 -7.598 -4.536 -7.195 348 HA GLN 43 HA GLN 43 -7.218 -4.985 -4.488 349 1HB GLN 43 2HB GLN 43 -9.269 -5.471 -5.900 350 2HB GLN 43 1HB GLN 43 -8.488 -6.962 -6.382 351 1HG GLN 43 2HG GLN 43 -10.106 -7.298 -4.580 352 2HG GLN 43 1HG GLN 43 -8.470 -7.754 -4.108 353 1HE2 GLN 43 1HE2 GLN 43 -7.391 -6.542 -2.569 354 2HE2 GLN 43 2HE2 GLN 43 -8.198 -5.384 -1.571 355 H ALA 44 H ALA 44 -6.244 -6.959 -7.235 356 HA ALA 44 HA ALA 44 -5.108 -9.110 -5.896 357 1HB ALA 44 1HB ALA 44 -5.531 -9.053 -8.311 358 2HB ALA 44 2HB ALA 44 -3.884 -9.564 -7.941 359 3HB ALA 44 3HB ALA 44 -4.194 -7.923 -8.509 360 H GLU 45 H GLU 45 -3.473 -6.136 -7.058 361 HA GLU 45 HA GLU 45 -0.953 -6.855 -6.050 362 1HB GLU 45 2HB GLU 45 -1.966 -4.740 -7.561 363 2HB GLU 45 1HB GLU 45 -1.357 -3.980 -6.097 364 1HG GLU 45 2HG GLU 45 0.761 -5.308 -6.459 365 2HG GLU 45 1HG GLU 45 0.138 -5.691 -8.056 366 H LEU 46 H LEU 46 -3.581 -4.907 -4.675 367 HA LEU 46 HA LEU 46 -2.368 -4.047 -2.344 368 1HB LEU 46 2HB LEU 46 -5.215 -4.887 -2.858 369 2HB LEU 46 1HB LEU 46 -4.688 -4.103 -1.386 370 HG LEU 46 HG LEU 46 -4.510 -2.902 -4.147 371 1HD1 LEU 46 1HD1 LEU 46 -6.307 -1.427 -3.394 372 2HD1 LEU 46 2HD1 LEU 46 -6.408 -2.320 -1.876 373 3HD1 LEU 46 3HD1 LEU 46 -6.816 -3.115 -3.396 374 1HD2 LEU 46 1HD2 LEU 46 -2.757 -2.109 -2.651 375 2HD2 LEU 46 2HD2 LEU 46 -3.969 -1.706 -1.432 376 3HD2 LEU 46 3HD2 LEU 46 -3.941 -0.842 -2.970 377 H GLU 47 H GLU 47 -4.088 -7.102 -2.931 378 HA GLU 47 HA GLU 47 -3.698 -8.037 -0.275 379 1HB GLU 47 2HB GLU 47 -4.533 -9.475 -2.786 380 2HB GLU 47 1HB GLU 47 -4.471 -10.231 -1.198 381 1HG GLU 47 2HG GLU 47 -6.055 -8.504 -0.379 382 2HG GLU 47 1HG GLU 47 -6.193 -7.914 -2.031 383 H THR 48 H THR 48 -1.885 -8.314 -3.249 384 HA THR 48 HA THR 48 -0.125 -10.360 -2.370 385 HB THR 48 HB THR 48 0.221 -8.235 -4.492 386 HG1 THR 48 HG1 THR 48 -0.709 -10.917 -4.444 387 1HG2 THR 48 1HG2 THR 48 2.049 -9.634 -5.360 388 2HG2 THR 48 2HG2 THR 48 1.903 -10.688 -3.952 389 3HG2 THR 48 3HG2 THR 48 2.415 -9.011 -3.751 390 H TRP 49 H TRP 49 0.061 -6.788 -2.257 391 HA TRP 49 HA TRP 49 2.591 -6.614 -1.037 392 1HB TRP 49 2HB TRP 49 0.225 -4.818 -0.441 393 2HB TRP 49 1HB TRP 49 1.922 -4.436 -0.194 394 HD1 TRP 49 HD1 TRP 49 2.384 -5.795 -3.354 395 HE1 TRP 49 HE1 TRP 49 2.003 -4.123 -5.284 396 HE3 TRP 49 HE3 TRP 49 -0.224 -2.214 -0.816 397 HZ2 TRP 49 HZ2 TRP 49 0.769 -1.603 -5.657 398 HZ3 TRP 49 HZ3 TRP 49 -0.959 -0.201 -2.020 399 HH2 TRP 49 HH2 TRP 49 -0.471 0.097 -4.392 400 H TRP 50 H TRP 50 -0.651 -6.904 0.327 401 HA TRP 50 HA TRP 50 -0.007 -6.885 3.032 402 1HB TRP 50 2HB TRP 50 -2.298 -6.715 2.126 403 2HB TRP 50 1HB TRP 50 -2.229 -8.407 1.649 404 HD1 TRP 50 HD1 TRP 50 -2.816 -10.187 3.450 405 HE1 TRP 50 HE1 TRP 50 -3.591 -10.069 5.901 406 HE3 TRP 50 HE3 TRP 50 -1.931 -5.228 4.328 407 HZ2 TRP 50 HZ2 TRP 50 -3.788 -8.121 7.938 408 HZ3 TRP 50 HZ3 TRP 50 -2.435 -4.321 6.558 409 HH2 TRP 50 HH2 TRP 50 -3.344 -5.737 8.320 410 H GLU 51 H GLU 51 -0.344 -9.652 0.819 411 HA GLU 51 HA GLU 51 0.299 -11.697 2.579 412 1HB GLU 51 2HB GLU 51 0.335 -11.294 -0.340 413 2HB GLU 51 1HB GLU 51 1.350 -12.590 0.255 414 1HG GLU 51 2HG GLU 51 -0.623 -13.527 1.420 415 2HG GLU 51 1HG GLU 51 -1.606 -12.279 0.657 416 H GLU 52 H GLU 52 2.472 -9.909 0.392 417 HA GLU 52 HA GLU 52 4.793 -11.274 1.240 418 1HB GLU 52 2HB GLU 52 4.356 -8.703 -0.248 419 2HB GLU 52 1HB GLU 52 5.971 -9.277 0.147 420 1HG GLU 52 2HG GLU 52 5.423 -11.405 -1.019 421 2HG GLU 52 1HG GLU 52 3.906 -10.674 -1.532 422 H LEU 53 H LEU 53 3.180 -8.400 2.425 423 HA LEU 53 HA LEU 53 5.224 -7.518 4.164 424 1HB LEU 53 2HB LEU 53 3.320 -6.114 3.591 425 2HB LEU 53 1HB LEU 53 2.222 -7.248 4.357 426 HG LEU 53 HG LEU 53 3.315 -6.754 6.539 427 1HD1 LEU 53 1HD1 LEU 53 5.471 -5.989 5.715 428 2HD1 LEU 53 2HD1 LEU 53 4.710 -4.758 6.721 429 3HD1 LEU 53 3HD1 LEU 53 4.703 -4.589 4.965 430 1HD2 LEU 53 1HD2 LEU 53 2.160 -4.375 5.088 431 2HD2 LEU 53 2HD2 LEU 53 2.239 -4.587 6.838 432 3HD2 LEU 53 3HD2 LEU 53 1.235 -5.660 5.864 433 H GLN 54 H GLN 54 2.615 -9.857 4.507 434 HA GLN 54 HA GLN 54 3.168 -10.387 7.270 435 1HB GLN 54 2HB GLN 54 1.433 -11.749 5.220 436 2HB GLN 54 1HB GLN 54 1.512 -12.230 6.897 437 1HG GLN 54 2HG GLN 54 0.632 -9.543 5.886 438 2HG GLN 54 1HG GLN 54 -0.432 -10.835 6.436 439 1HE2 GLN 54 1HE2 GLN 54 1.809 -8.369 7.389 440 2HE2 GLN 54 2HE2 GLN 54 1.473 -8.424 9.086 441 H LYS 55 H LYS 55 4.043 -11.722 4.178 442 HA LYS 55 HA LYS 55 5.108 -14.164 5.229 443 1HB LYS 55 2HB LYS 55 4.176 -13.533 2.832 444 2HB LYS 55 1HB LYS 55 5.869 -13.142 2.546 445 1HG LYS 55 2HG LYS 55 6.542 -15.369 3.026 446 2HG LYS 55 1HG LYS 55 4.925 -15.797 3.591 447 1HD LYS 55 2HD LYS 55 4.075 -15.284 1.303 448 2HD LYS 55 1HD LYS 55 5.750 -15.083 0.787 449 1HE LYS 55 2HE LYS 55 6.249 -17.365 1.250 450 2HE LYS 55 1HE LYS 55 4.710 -17.594 2.078 451 1HZ LYS 55 1HZ LYS 55 5.082 -17.082 -0.823 452 2HZ LYS 55 2HZ LYS 55 3.581 -17.209 -0.045 453 3HZ LYS 55 3HZ LYS 55 4.615 -18.549 -0.109 454 H ASN 56 H ASN 56 6.206 -11.011 4.881 455 HA ASN 56 HA ASN 56 8.971 -11.834 5.455 456 1HB ASN 56 2HB ASN 56 8.795 -10.305 3.535 457 2HB ASN 56 1HB ASN 56 7.904 -9.153 4.514 458 1HD2 ASN 56 1HD2 ASN 56 8.978 -7.795 5.812 459 2HD2 ASN 56 2HD2 ASN 56 10.699 -7.696 5.884 460 HA PRO 57 HA PRO 57 7.089 -11.004 9.493 461 1HB PRO 57 2HB PRO 57 9.686 -12.098 10.413 462 2HB PRO 57 1HB PRO 57 8.042 -12.582 10.842 463 1HG PRO 57 2HG PRO 57 9.531 -14.096 9.230 464 2HG PRO 57 1HG PRO 57 7.790 -13.898 8.947 465 1HD PRO 57 2HD PRO 57 10.102 -12.601 7.556 466 2HD PRO 57 1HD PRO 57 8.586 -13.231 6.877 467 HA PRO 58 HA PRO 58 9.244 -7.112 10.237 468 1HB PRO 58 2HB PRO 58 7.223 -6.919 12.376 469 2HB PRO 58 1HB PRO 58 7.559 -5.805 11.048 470 1HG PRO 58 2HG PRO 58 5.346 -7.323 11.080 471 2HG PRO 58 1HG PRO 58 6.196 -6.939 9.571 472 1HD PRO 58 2HD PRO 58 6.240 -9.465 11.183 473 2HD PRO 58 1HD PRO 58 6.203 -9.248 9.419 474 H TYR 59 H TYR 59 10.696 -6.502 11.830 475 HA TYR 59 HA TYR 59 11.280 -8.645 13.747 476 1HB TYR 59 2HB TYR 59 12.967 -7.797 11.971 477 2HB TYR 59 1HB TYR 59 13.153 -6.401 13.023 478 HD1 TYR 59 HD1 TYR 59 14.235 -6.616 15.196 479 HD2 TYR 59 HD2 TYR 59 13.801 -9.968 12.616 480 HE1 TYR 59 HE1 TYR 59 15.887 -7.852 16.533 481 HE2 TYR 59 HE2 TYR 59 15.445 -11.219 13.948 482 HH TYR 59 HH TYR 59 16.409 -10.327 16.997 483 H GLU 60 H GLU 60 11.693 -8.201 15.913 484 HA GLU 60 HA GLU 60 10.284 -6.016 17.054 485 1HB GLU 60 2HB GLU 60 12.200 -8.007 18.284 486 2HB GLU 60 1HB GLU 60 11.272 -6.835 19.201 487 1HG GLU 60 2HG GLU 60 10.108 -8.865 19.379 488 2HG GLU 60 1HG GLU 60 9.197 -7.889 18.229 Start of MODEL 19 1 1H MET 1 1H MET 1 -9.876 -4.549 5.907 2 2H MET 1 2H MET 1 -8.890 -4.864 7.248 3 3H MET 1 3H MET 1 -9.403 -6.140 6.252 4 HA MET 1 HA MET 1 -7.123 -5.629 5.779 5 1HB MET 1 2HB MET 1 -8.843 -6.212 3.946 6 2HB MET 1 1HB MET 1 -8.798 -4.509 3.528 7 1HG MET 1 2HG MET 1 -6.377 -6.291 3.548 8 2HG MET 1 1HG MET 1 -7.369 -5.992 2.125 9 1HE MET 1 1HE MET 1 -4.324 -5.543 1.974 10 2HE MET 1 2HE MET 1 -4.191 -3.942 1.245 11 3HE MET 1 3HE MET 1 -5.395 -5.084 0.650 12 H ILE 2 H ILE 2 -5.641 -4.135 6.223 13 HA ILE 2 HA ILE 2 -6.456 -1.325 6.225 14 HB ILE 2 HB ILE 2 -3.946 -2.535 7.382 15 1HG1 ILE 2 2HG1 ILE 2 -5.169 -1.827 9.589 16 2HG1 ILE 2 1HG1 ILE 2 -6.625 -1.926 8.607 17 1HG2 ILE 2 1HG2 ILE 2 -3.671 -0.206 6.769 18 2HG2 ILE 2 2HG2 ILE 2 -3.693 -0.386 8.524 19 3HG2 ILE 2 3HG2 ILE 2 -5.119 0.222 7.684 20 1HD1 ILE 2 1HD1 ILE 2 -6.252 -3.971 9.856 21 2HD1 ILE 2 2HD1 ILE 2 -4.674 -4.166 9.093 22 3HD1 ILE 2 3HD1 ILE 2 -6.143 -4.263 8.122 23 H LEU 3 H LEU 3 -6.070 -0.252 4.449 24 HA LEU 3 HA LEU 3 -4.288 -1.027 2.423 25 1HB LEU 3 2HB LEU 3 -6.106 1.189 3.012 26 2HB LEU 3 1HB LEU 3 -4.748 1.631 2.017 27 HG LEU 3 HG LEU 3 -6.614 1.082 0.606 28 1HD1 LEU 3 1HD1 LEU 3 -5.642 -0.682 -0.769 29 2HD1 LEU 3 2HD1 LEU 3 -4.576 -1.138 0.561 30 3HD1 LEU 3 3HD1 LEU 3 -4.407 0.442 -0.205 31 1HD2 LEU 3 1HD2 LEU 3 -7.616 -1.159 0.613 32 2HD2 LEU 3 2HD2 LEU 3 -7.873 -0.315 2.140 33 3HD2 LEU 3 3HD2 LEU 3 -6.648 -1.579 2.026 34 H TYR 4 H TYR 4 -4.029 1.114 5.154 35 HA TYR 4 HA TYR 4 -1.826 2.652 4.537 36 1HB TYR 4 2HB TYR 4 -3.203 2.939 6.561 37 2HB TYR 4 1HB TYR 4 -2.552 1.446 7.220 38 HD1 TYR 4 HD1 TYR 4 -1.823 4.964 6.451 39 HD2 TYR 4 HD2 TYR 4 -0.353 1.381 8.206 40 HE1 TYR 4 HE1 TYR 4 -0.024 6.237 7.540 41 HE2 TYR 4 HE2 TYR 4 1.451 2.644 9.294 42 HH TYR 4 HH TYR 4 1.436 5.971 9.587 43 H ASP 5 H ASP 5 -1.818 -0.494 6.204 44 HA ASP 5 HA ASP 5 0.970 -0.729 6.409 45 1HB ASP 5 2HB ASP 5 -1.307 -2.669 6.548 46 2HB ASP 5 1HB ASP 5 0.348 -3.261 6.562 47 H ALA 6 H ALA 6 -1.290 -1.959 3.988 48 HA ALA 6 HA ALA 6 0.533 -3.401 2.437 49 1HB ALA 6 1HB ALA 6 -1.957 -1.969 1.526 50 2HB ALA 6 2HB ALA 6 -1.879 -3.604 2.182 51 3HB ALA 6 3HB ALA 6 -1.106 -3.236 0.639 52 H ILE 7 H ILE 7 -0.582 -0.026 2.036 53 HA ILE 7 HA ILE 7 1.015 0.495 -0.240 54 HB ILE 7 HB ILE 7 -0.042 2.489 1.777 55 1HG1 ILE 7 2HG1 ILE 7 -1.267 1.623 -0.850 56 2HG1 ILE 7 1HG1 ILE 7 -1.779 1.020 0.723 57 1HG2 ILE 7 1HG2 ILE 7 1.712 3.439 0.388 58 2HG2 ILE 7 2HG2 ILE 7 0.145 4.108 -0.069 59 3HG2 ILE 7 3HG2 ILE 7 0.897 2.864 -1.066 60 1HD1 ILE 7 1HD1 ILE 7 -1.901 3.873 -0.213 61 2HD1 ILE 7 2HD1 ILE 7 -2.382 3.298 1.381 62 3HD1 ILE 7 3HD1 ILE 7 -3.262 2.764 -0.051 63 H MET 8 H MET 8 1.556 0.998 3.224 64 HA MET 8 HA MET 8 4.032 2.361 2.930 65 1HB MET 8 2HB MET 8 2.505 1.183 5.179 66 2HB MET 8 1HB MET 8 4.229 1.398 5.429 67 1HG MET 8 2HG MET 8 2.971 3.284 6.288 68 2HG MET 8 1HG MET 8 4.017 3.771 4.964 69 1HE MET 8 1HE MET 8 2.923 3.692 2.344 70 2HE MET 8 2HE MET 8 3.216 5.266 3.085 71 3HE MET 8 3HE MET 8 1.708 4.968 2.223 72 H TYR 9 H TYR 9 3.185 -0.922 2.630 73 HA TYR 9 HA TYR 9 5.822 -1.945 3.204 74 1HB TYR 9 2HB TYR 9 3.761 -3.333 3.490 75 2HB TYR 9 1HB TYR 9 3.533 -3.292 1.747 76 HD1 TYR 9 HD1 TYR 9 5.751 -4.501 4.442 77 HD2 TYR 9 HD2 TYR 9 4.737 -4.771 0.323 78 HE1 TYR 9 HE1 TYR 9 7.168 -6.497 4.229 79 HE2 TYR 9 HE2 TYR 9 6.154 -6.769 0.096 80 HH TYR 9 HH TYR 9 7.293 -8.517 2.708 81 H LYS 10 H LYS 10 3.914 -1.099 0.375 82 HA LYS 10 HA LYS 10 5.905 -1.925 -1.519 83 1HB LYS 10 2HB LYS 10 3.512 -1.910 -2.086 84 2HB LYS 10 1HB LYS 10 3.466 -0.172 -1.853 85 1HG LYS 10 2HG LYS 10 3.542 -0.503 -4.169 86 2HG LYS 10 1HG LYS 10 5.166 0.004 -3.706 87 1HD LYS 10 2HD LYS 10 5.908 -2.314 -3.745 88 2HD LYS 10 1HD LYS 10 4.282 -2.842 -4.174 89 1HE LYS 10 2HE LYS 10 6.089 -1.078 -5.826 90 2HE LYS 10 1HE LYS 10 5.704 -2.767 -6.146 91 1HZ LYS 10 1HZ LYS 10 4.371 -1.379 -7.551 92 2HZ LYS 10 2HZ LYS 10 3.815 -0.474 -6.235 93 3HZ LYS 10 3HZ LYS 10 3.351 -2.095 -6.405 94 H TYR 11 H TYR 11 4.706 1.226 -0.372 95 HA TYR 11 HA TYR 11 7.168 2.460 -1.423 96 1HB TYR 11 2HB TYR 11 4.509 3.856 -1.060 97 2HB TYR 11 1HB TYR 11 5.940 4.481 -1.870 98 HD1 TYR 11 HD1 TYR 11 2.808 3.014 -2.356 99 HD2 TYR 11 HD2 TYR 11 6.765 2.989 -3.912 100 HE1 TYR 11 HE1 TYR 11 1.957 2.126 -4.483 101 HE2 TYR 11 HE2 TYR 11 5.926 2.094 -6.043 102 HH TYR 11 HH TYR 11 2.734 2.116 -6.923 103 HA PRO 12 HA PRO 12 7.550 2.817 3.088 104 1HB PRO 12 2HB PRO 12 10.286 3.646 2.357 105 2HB PRO 12 1HB PRO 12 9.751 2.339 3.417 106 1HG PRO 12 2HG PRO 12 10.802 1.831 1.014 107 2HG PRO 12 1HG PRO 12 9.477 0.852 1.671 108 1HD PRO 12 2HD PRO 12 9.380 3.042 -0.370 109 2HD PRO 12 1HD PRO 12 8.527 1.483 -0.348 110 H ASN 13 H ASN 13 8.526 5.182 0.663 111 HA ASN 13 HA ASN 13 8.514 7.278 2.715 112 1HB ASN 13 2HB ASN 13 9.872 6.974 0.096 113 2HB ASN 13 1HB ASN 13 9.441 8.603 0.595 114 1HD2 ASN 13 1HD2 ASN 13 10.364 5.945 2.689 115 2HD2 ASN 13 2HD2 ASN 13 11.844 6.648 3.235 116 H ALA 14 H ALA 14 6.155 5.995 1.274 117 HA ALA 14 HA ALA 14 5.016 8.228 -0.164 118 1HB ALA 14 1HB ALA 14 3.752 5.633 0.704 119 2HB ALA 14 2HB ALA 14 4.495 5.948 -0.863 120 3HB ALA 14 3HB ALA 14 3.037 6.819 -0.388 121 H VAL 15 H VAL 15 4.051 9.887 0.795 122 HA VAL 15 HA VAL 15 3.496 9.781 3.633 123 HB VAL 15 HB VAL 15 3.154 12.086 1.698 124 1HG1 VAL 15 1HG1 VAL 15 1.840 12.336 3.752 125 2HG1 VAL 15 2HG1 VAL 15 3.160 13.502 3.685 126 3HG1 VAL 15 3HG1 VAL 15 3.296 12.074 4.713 127 1HG2 VAL 15 1HG2 VAL 15 5.466 11.438 3.526 128 2HG2 VAL 15 2HG2 VAL 15 5.298 12.898 2.553 129 3HG2 VAL 15 3HG2 VAL 15 5.474 11.331 1.767 130 H SER 16 H SER 16 1.681 8.382 3.746 131 HA SER 16 HA SER 16 -0.693 9.117 2.252 132 1HB SER 16 2HB SER 16 -1.676 7.158 3.600 133 2HB SER 16 1HB SER 16 -0.380 6.770 2.468 134 HG SER 16 HG SER 16 0.364 5.827 4.236 135 H ARG 17 H ARG 17 0.305 10.992 3.962 136 HA ARG 17 HA ARG 17 -1.627 11.221 6.090 137 1HB ARG 17 2HB ARG 17 0.774 12.931 5.466 138 2HB ARG 17 1HB ARG 17 -0.302 13.160 6.841 139 1HG ARG 17 2HG ARG 17 0.325 11.006 7.731 140 2HG ARG 17 1HG ARG 17 1.338 10.692 6.324 141 1HD ARG 17 2HD ARG 17 2.691 12.689 6.925 142 2HD ARG 17 1HD ARG 17 1.731 12.836 8.400 143 HE ARG 17 HE ARG 17 2.597 10.303 8.547 144 1HH1 ARG 17 1HH1 ARG 17 4.295 13.306 7.918 145 2HH1 ARG 17 2HH1 ARG 17 5.791 12.733 8.591 146 1HH2 ARG 17 1HH2 ARG 17 4.570 9.542 9.365 147 2HH2 ARG 17 2HH2 ARG 17 5.957 10.593 9.397 148 H LYS 18 H LYS 18 -0.309 13.138 3.453 149 HA LYS 18 HA LYS 18 -2.769 14.743 3.423 150 1HB LYS 18 2HB LYS 18 -0.964 15.866 4.679 151 2HB LYS 18 1HB LYS 18 0.072 15.758 3.267 152 1HG LYS 18 2HG LYS 18 -1.557 17.164 2.033 153 2HG LYS 18 1HG LYS 18 -2.462 17.351 3.538 154 1HD LYS 18 2HD LYS 18 -0.414 18.285 4.592 155 2HD LYS 18 1HD LYS 18 0.381 18.213 3.018 156 1HE LYS 18 2HE LYS 18 -0.470 20.452 3.446 157 2HE LYS 18 1HE LYS 18 -1.312 19.708 2.089 158 1HZ LYS 18 1HZ LYS 18 -2.330 19.959 4.870 159 2HZ LYS 18 2HZ LYS 18 -3.138 19.148 3.617 160 3HZ LYS 18 3HZ LYS 18 -2.875 20.818 3.514 161 H ASP 19 H ASP 19 0.178 13.811 1.642 162 HA ASP 19 HA ASP 19 -0.634 14.951 -0.827 163 1HB ASP 19 2HB ASP 19 1.724 14.107 -0.103 164 2HB ASP 19 1HB ASP 19 1.156 12.538 -0.672 165 H PHE 20 H PHE 20 -1.036 11.765 0.627 166 HA PHE 20 HA PHE 20 -3.520 11.680 -0.848 167 1HB PHE 20 2HB PHE 20 -3.340 9.324 -1.451 168 2HB PHE 20 1HB PHE 20 -2.066 10.255 -2.213 169 HD1 PHE 20 HD1 PHE 20 0.239 10.222 -0.961 170 HD2 PHE 20 HD2 PHE 20 -2.863 7.362 -0.430 171 HE1 PHE 20 HE1 PHE 20 1.889 8.582 -0.178 172 HE2 PHE 20 HE2 PHE 20 -1.218 5.716 0.369 173 HZ PHE 20 HZ PHE 20 1.164 6.327 0.489 174 H GLU 21 H GLU 21 -5.176 10.956 0.358 175 HA GLU 21 HA GLU 21 -4.487 10.704 3.193 176 1HB GLU 21 2HB GLU 21 -6.948 11.781 1.822 177 2HB GLU 21 1HB GLU 21 -6.782 11.609 3.560 178 1HG GLU 21 2HG GLU 21 -4.932 13.169 3.567 179 2HG GLU 21 1HG GLU 21 -5.023 13.301 1.810 180 H LEU 22 H LEU 22 -5.363 9.171 4.462 181 HA LEU 22 HA LEU 22 -7.031 7.130 3.139 182 1HB LEU 22 2HB LEU 22 -5.296 6.760 5.576 183 2HB LEU 22 1HB LEU 22 -6.123 5.511 4.670 184 HG LEU 22 HG LEU 22 -3.791 7.156 3.676 185 1HD1 LEU 22 1HD1 LEU 22 -3.990 4.267 4.506 186 2HD1 LEU 22 2HD1 LEU 22 -3.134 5.547 5.365 187 3HD1 LEU 22 3HD1 LEU 22 -2.578 5.027 3.773 188 1HD2 LEU 22 1HD2 LEU 22 -3.805 5.652 1.757 189 2HD2 LEU 22 2HD2 LEU 22 -5.317 6.552 1.868 190 3HD2 LEU 22 3HD2 LEU 22 -5.256 4.864 2.375 191 H ARG 23 H ARG 23 -8.730 6.218 4.368 192 HA ARG 23 HA ARG 23 -9.376 7.459 6.925 193 1HB ARG 23 2HB ARG 23 -11.498 8.247 6.345 194 2HB ARG 23 1HB ARG 23 -10.495 8.748 4.991 195 1HG ARG 23 2HG ARG 23 -11.273 6.774 3.741 196 2HG ARG 23 1HG ARG 23 -12.339 6.373 5.078 197 1HD ARG 23 2HD ARG 23 -12.423 8.977 3.559 198 2HD ARG 23 1HD ARG 23 -13.470 7.597 3.226 199 HE ARG 23 HE ARG 23 -14.324 7.871 5.531 200 1HH1 ARG 23 1HH1 ARG 23 -12.744 10.594 3.981 201 2HH1 ARG 23 2HH1 ARG 23 -13.580 11.772 4.941 202 1HH2 ARG 23 1HH2 ARG 23 -15.411 9.422 6.781 203 2HH2 ARG 23 2HH2 ARG 23 -15.090 11.116 6.530 204 H ASN 24 H ASN 24 -11.507 6.422 7.697 205 HA ASN 24 HA ASN 24 -11.422 3.541 7.129 206 1HB ASN 24 2HB ASN 24 -10.122 4.080 9.148 207 2HB ASN 24 1HB ASN 24 -11.527 4.869 9.845 208 1HD2 ASN 24 1HD2 ASN 24 -13.039 3.677 10.867 209 2HD2 ASN 24 2HD2 ASN 24 -12.961 1.961 11.054 210 H ASP 25 H ASP 25 -13.391 2.914 6.446 211 HA ASP 25 HA ASP 25 -15.748 4.445 7.029 212 1HB ASP 25 2HB ASP 25 -16.951 2.723 5.774 213 2HB ASP 25 1HB ASP 25 -15.526 3.245 4.890 214 H GLY 26 H GLY 26 -14.119 1.723 8.373 215 1HA GLY 26 2HA GLY 26 -14.916 1.571 10.841 216 2HA GLY 26 1HA GLY 26 -16.415 1.066 10.072 217 H ASN 27 H ASN 27 -15.341 -0.433 7.963 218 HA ASN 27 HA ASN 27 -14.510 -2.785 9.504 219 1HB ASN 27 2HB ASN 27 -16.599 -2.842 8.082 220 2HB ASN 27 1HB ASN 27 -15.558 -2.705 6.673 221 1HD2 ASN 27 1HD2 ASN 27 -14.751 -4.523 9.553 222 2HD2 ASN 27 2HD2 ASN 27 -14.818 -6.089 8.813 223 H GLY 28 H GLY 28 -13.097 -0.417 7.786 224 1HA GLY 28 2HA GLY 28 -10.595 -1.651 7.658 225 2HA GLY 28 1HA GLY 28 -11.324 -1.757 6.061 226 H SER 29 H SER 29 -8.958 -0.337 6.756 227 HA SER 29 HA SER 29 -9.799 2.457 6.413 228 1HB SER 29 2HB SER 29 -7.051 1.393 7.112 229 2HB SER 29 1HB SER 29 -7.573 3.077 7.150 230 HG SER 29 HG SER 29 -9.266 1.663 8.635 231 H TYR 30 H TYR 30 -9.615 3.358 4.473 232 HA TYR 30 HA TYR 30 -7.923 2.061 2.447 233 1HB TYR 30 2HB TYR 30 -9.762 2.337 0.802 234 2HB TYR 30 1HB TYR 30 -10.181 1.229 2.101 235 HD1 TYR 30 HD1 TYR 30 -11.101 4.211 0.340 236 HD2 TYR 30 HD2 TYR 30 -11.647 2.104 3.996 237 HE1 TYR 30 HE1 TYR 30 -13.129 5.530 0.792 238 HE2 TYR 30 HE2 TYR 30 -13.671 3.415 4.456 239 HH TYR 30 HH TYR 30 -15.202 5.347 2.118 240 H ILE 31 H ILE 31 -8.195 3.549 0.326 241 HA ILE 31 HA ILE 31 -7.049 6.096 1.126 242 HB ILE 31 HB ILE 31 -7.439 5.118 -1.701 243 1HG1 ILE 31 2HG1 ILE 31 -5.069 4.514 0.081 244 2HG1 ILE 31 1HG1 ILE 31 -6.326 3.348 -0.324 245 1HG2 ILE 31 1HG2 ILE 31 -6.750 7.433 -1.450 246 2HG2 ILE 31 2HG2 ILE 31 -5.434 6.472 -2.125 247 3HG2 ILE 31 3HG2 ILE 31 -5.400 6.938 -0.425 248 1HD1 ILE 31 1HD1 ILE 31 -4.448 4.686 -2.258 249 2HD1 ILE 31 2HD1 ILE 31 -5.724 3.546 -2.688 250 3HD1 ILE 31 3HD1 ILE 31 -4.365 3.016 -1.698 251 H GLU 32 H GLU 32 -8.092 8.051 0.967 252 HA GLU 32 HA GLU 32 -10.649 8.044 -0.496 253 1HB GLU 32 2HB GLU 32 -11.405 9.874 0.905 254 2HB GLU 32 1HB GLU 32 -10.924 8.506 1.893 255 1HG GLU 32 2HG GLU 32 -8.912 9.592 2.550 256 2HG GLU 32 1HG GLU 32 -9.158 10.881 1.372 257 H LYS 33 H LYS 33 -7.620 9.791 -0.046 258 HA LYS 33 HA LYS 33 -8.222 11.213 -2.555 259 1HB LYS 33 2HB LYS 33 -6.923 12.281 -0.070 260 2HB LYS 33 1HB LYS 33 -6.507 12.953 -1.637 261 1HG LYS 33 2HG LYS 33 -8.168 14.383 -1.089 262 2HG LYS 33 1HG LYS 33 -9.155 13.128 -1.818 263 1HD LYS 33 2HD LYS 33 -9.669 12.220 0.332 264 2HD LYS 33 1HD LYS 33 -8.559 13.341 1.110 265 1HE LYS 33 2HE LYS 33 -9.953 15.218 0.263 266 2HE LYS 33 1HE LYS 33 -11.103 14.030 -0.351 267 1HZ LYS 33 1HZ LYS 33 -11.335 13.211 1.956 268 2HZ LYS 33 2HZ LYS 33 -11.853 14.815 1.759 269 3HZ LYS 33 3HZ LYS 33 -10.358 14.494 2.485 270 H TRP 34 H TRP 34 -6.504 11.483 -3.995 271 HA TRP 34 HA TRP 34 -3.955 10.214 -3.344 272 1HB TRP 34 2HB TRP 34 -5.394 8.453 -4.340 273 2HB TRP 34 1HB TRP 34 -5.622 9.464 -5.758 274 HD1 TRP 34 HD1 TRP 34 -3.464 9.764 -7.402 275 HE1 TRP 34 HE1 TRP 34 -1.454 8.204 -7.813 276 HE3 TRP 34 HE3 TRP 34 -3.834 6.843 -3.212 277 HZ2 TRP 34 HZ2 TRP 34 -0.198 6.029 -6.527 278 HZ3 TRP 34 HZ3 TRP 34 -2.190 5.041 -2.884 279 HH2 TRP 34 HH2 TRP 34 -0.411 4.644 -4.507 280 H ASN 35 H ASN 35 -2.555 11.826 -3.763 281 HA ASN 35 HA ASN 35 -2.959 13.404 -6.218 282 1HB ASN 35 2HB ASN 35 -1.892 14.307 -3.535 283 2HB ASN 35 1HB ASN 35 -1.839 15.287 -4.990 284 1HD2 ASN 35 1HD2 ASN 35 -3.198 15.665 -2.401 285 2HD2 ASN 35 2HD2 ASN 35 -4.868 15.923 -2.785 286 H LEU 36 H LEU 36 -1.266 10.968 -5.296 287 HA LEU 36 HA LEU 36 1.441 11.763 -5.417 288 1HB LEU 36 2HB LEU 36 0.082 9.119 -5.872 289 2HB LEU 36 1HB LEU 36 1.810 9.311 -6.045 290 HG LEU 36 HG LEU 36 0.242 9.790 -3.521 291 1HD1 LEU 36 1HD1 LEU 36 2.150 7.584 -4.282 292 2HD1 LEU 36 2HD1 LEU 36 0.403 7.428 -4.097 293 3HD1 LEU 36 3HD1 LEU 36 1.412 7.805 -2.696 294 1HD2 LEU 36 1HD2 LEU 36 2.184 11.271 -3.702 295 2HD2 LEU 36 2HD2 LEU 36 3.218 9.872 -4.007 296 3HD2 LEU 36 3HD2 LEU 36 2.411 10.051 -2.448 297 H ARG 37 H ARG 37 2.955 11.462 -7.084 298 HA ARG 37 HA ARG 37 1.942 12.118 -9.706 299 1HB ARG 37 2HB ARG 37 4.757 11.729 -8.672 300 2HB ARG 37 1HB ARG 37 4.359 12.288 -10.292 301 1HG ARG 37 2HG ARG 37 3.361 14.283 -9.425 302 2HG ARG 37 1HG ARG 37 3.536 13.703 -7.769 303 1HD ARG 37 2HD ARG 37 5.944 13.780 -7.956 304 2HD ARG 37 1HD ARG 37 5.822 14.254 -9.650 305 HE ARG 37 HE ARG 37 4.684 16.317 -8.789 306 1HH1 ARG 37 1HH1 ARG 37 6.911 14.520 -6.760 307 2HH1 ARG 37 2HH1 ARG 37 7.378 15.913 -5.833 308 1HH2 ARG 37 1HH2 ARG 37 5.330 18.156 -7.573 309 2HH2 ARG 37 2HH2 ARG 37 6.493 17.964 -6.287 310 H ALA 38 H ALA 38 1.061 9.663 -8.968 311 HA ALA 38 HA ALA 38 2.229 7.916 -10.955 312 1HB ALA 38 1HB ALA 38 2.123 7.061 -8.054 313 2HB ALA 38 2HB ALA 38 3.589 7.397 -8.977 314 3HB ALA 38 3HB ALA 38 2.560 6.035 -9.422 315 HA PRO 39 HA PRO 39 -2.035 6.762 -11.257 316 1HB PRO 39 2HB PRO 39 -1.880 4.251 -12.257 317 2HB PRO 39 1HB PRO 39 -1.494 5.684 -13.216 318 1HG PRO 39 2HG PRO 39 0.351 3.788 -11.822 319 2HG PRO 39 1HG PRO 39 0.496 4.511 -13.434 320 1HD PRO 39 2HD PRO 39 1.844 5.447 -11.268 321 2HD PRO 39 1HD PRO 39 1.333 6.488 -12.610 322 H LEU 40 H LEU 40 -3.625 5.053 -10.615 323 HA LEU 40 HA LEU 40 -3.183 4.298 -7.873 324 1HB LEU 40 2HB LEU 40 -5.476 4.238 -9.783 325 2HB LEU 40 1HB LEU 40 -5.548 3.228 -8.359 326 HG LEU 40 HG LEU 40 -6.731 5.321 -8.001 327 1HD1 LEU 40 1HD1 LEU 40 -5.666 4.267 -6.085 328 2HD1 LEU 40 2HD1 LEU 40 -5.612 6.025 -5.937 329 3HD1 LEU 40 3HD1 LEU 40 -4.169 5.137 -6.423 330 1HD2 LEU 40 1HD2 LEU 40 -5.560 7.453 -7.953 331 2HD2 LEU 40 2HD2 LEU 40 -5.452 6.722 -9.555 332 3HD2 LEU 40 3HD2 LEU 40 -4.070 6.659 -8.462 333 HA PRO 41 HA PRO 41 -1.881 0.123 -8.778 334 1HB PRO 41 2HB PRO 41 -2.143 -0.890 -6.278 335 2HB PRO 41 1HB PRO 41 -0.811 0.180 -6.734 336 1HG PRO 41 2HG PRO 41 -3.353 0.830 -5.292 337 2HG PRO 41 1HG PRO 41 -1.701 1.372 -4.946 338 1HD PRO 41 2HD PRO 41 -3.498 2.917 -6.255 339 2HD PRO 41 1HD PRO 41 -1.755 2.993 -6.576 340 H THR 42 H THR 42 -2.759 -2.143 -8.278 341 HA THR 42 HA THR 42 -5.635 -2.048 -8.817 342 HB THR 42 HB THR 42 -5.310 -4.417 -9.604 343 HG1 THR 42 HG1 THR 42 -2.973 -4.823 -10.119 344 1HG2 THR 42 1HG2 THR 42 -3.646 -2.299 -10.969 345 2HG2 THR 42 2HG2 THR 42 -5.381 -2.540 -11.169 346 3HG2 THR 42 3HG2 THR 42 -4.247 -3.777 -11.717 347 H GLN 43 H GLN 43 -6.976 -3.791 -7.944 348 HA GLN 43 HA GLN 43 -6.907 -3.945 -5.155 349 1HB GLN 43 2HB GLN 43 -8.842 -4.336 -6.851 350 2HB GLN 43 1HB GLN 43 -8.282 -5.997 -6.880 351 1HG GLN 43 2HG GLN 43 -8.855 -4.721 -4.255 352 2HG GLN 43 1HG GLN 43 -10.201 -5.239 -5.267 353 1HE2 GLN 43 1HE2 GLN 43 -7.498 -6.256 -3.349 354 2HE2 GLN 43 2HE2 GLN 43 -7.906 -7.941 -3.298 355 H ALA 44 H ALA 44 -5.963 -6.267 -7.638 356 HA ALA 44 HA ALA 44 -5.160 -8.360 -5.971 357 1HB ALA 44 1HB ALA 44 -4.020 -7.588 -8.653 358 2HB ALA 44 2HB ALA 44 -5.438 -8.600 -8.381 359 3HB ALA 44 3HB ALA 44 -3.846 -9.157 -7.867 360 H GLU 45 H GLU 45 -3.256 -5.601 -7.222 361 HA GLU 45 HA GLU 45 -0.799 -6.422 -6.123 362 1HB GLU 45 2HB GLU 45 -1.791 -4.121 -7.501 363 2HB GLU 45 1HB GLU 45 -0.877 -3.587 -6.096 364 1HG GLU 45 2HG GLU 45 0.931 -5.216 -6.898 365 2HG GLU 45 1HG GLU 45 0.043 -5.233 -8.419 366 H LEU 46 H LEU 46 -3.351 -4.322 -4.841 367 HA LEU 46 HA LEU 46 -2.190 -3.465 -2.505 368 1HB LEU 46 2HB LEU 46 -5.057 -4.320 -2.919 369 2HB LEU 46 1HB LEU 46 -4.473 -3.324 -1.604 370 HG LEU 46 HG LEU 46 -4.411 -2.553 -4.521 371 1HD1 LEU 46 1HD1 LEU 46 -6.680 -2.633 -3.620 372 2HD1 LEU 46 2HD1 LEU 46 -6.170 -0.975 -3.933 373 3HD1 LEU 46 3HD1 LEU 46 -6.189 -1.595 -2.282 374 1HD2 LEU 46 1HD2 LEU 46 -2.588 -1.544 -3.272 375 2HD2 LEU 46 2HD2 LEU 46 -3.719 -0.988 -2.037 376 3HD2 LEU 46 3HD2 LEU 46 -3.804 -0.332 -3.672 377 H GLU 47 H GLU 47 -4.037 -6.486 -2.969 378 HA GLU 47 HA GLU 47 -3.632 -7.337 -0.292 379 1HB GLU 47 2HB GLU 47 -4.588 -8.755 -2.753 380 2HB GLU 47 1HB GLU 47 -4.388 -9.589 -1.217 381 1HG GLU 47 2HG GLU 47 -5.929 -7.886 -0.216 382 2HG GLU 47 1HG GLU 47 -6.242 -7.321 -1.855 383 H THR 48 H THR 48 -1.799 -7.729 -3.237 384 HA THR 48 HA THR 48 -0.254 -9.959 -2.411 385 HB THR 48 HB THR 48 0.542 -7.756 -4.334 386 HG1 THR 48 HG1 THR 48 -1.375 -8.685 -5.054 387 1HG2 THR 48 1HG2 THR 48 2.411 -9.183 -3.632 388 2HG2 THR 48 2HG2 THR 48 1.994 -9.458 -5.324 389 3HG2 THR 48 3HG2 THR 48 1.488 -10.614 -4.093 390 H TRP 49 H TRP 49 0.160 -6.461 -2.083 391 HA TRP 49 HA TRP 49 2.684 -6.515 -0.824 392 1HB TRP 49 2HB TRP 49 0.466 -4.522 -0.297 393 2HB TRP 49 1HB TRP 49 2.189 -4.282 -0.040 394 HD1 TRP 49 HD1 TRP 49 2.787 -5.666 -3.075 395 HE1 TRP 49 HE1 TRP 49 2.511 -4.087 -5.090 396 HE3 TRP 49 HE3 TRP 49 -0.058 -2.043 -0.873 397 HZ2 TRP 49 HZ2 TRP 49 1.260 -1.617 -5.659 398 HZ3 TRP 49 HZ3 TRP 49 -0.747 -0.102 -2.213 399 HH2 TRP 49 HH2 TRP 49 -0.100 0.107 -4.558 400 H TRP 50 H TRP 50 -0.615 -6.648 0.436 401 HA TRP 50 HA TRP 50 -0.003 -6.787 3.172 402 1HB TRP 50 2HB TRP 50 -2.269 -6.370 2.241 403 2HB TRP 50 1HB TRP 50 -2.336 -8.042 1.698 404 HD1 TRP 50 HD1 TRP 50 -2.934 -9.889 3.485 405 HE1 TRP 50 HE1 TRP 50 -3.764 -9.783 5.924 406 HE3 TRP 50 HE3 TRP 50 -2.034 -4.941 4.433 407 HZ2 TRP 50 HZ2 TRP 50 -4.006 -7.855 7.966 408 HZ3 TRP 50 HZ3 TRP 50 -2.593 -4.047 6.657 409 HH2 TRP 50 HH2 TRP 50 -3.558 -5.474 8.383 410 H GLU 51 H GLU 51 -0.423 -9.331 0.736 411 HA GLU 51 HA GLU 51 -0.125 -11.520 2.433 412 1HB GLU 51 2HB GLU 51 0.212 -11.061 -0.503 413 2HB GLU 51 1HB GLU 51 0.658 -12.603 0.191 414 1HG GLU 51 2HG GLU 51 -1.613 -12.836 1.100 415 2HG GLU 51 1HG GLU 51 -2.050 -11.305 0.345 416 H GLU 52 H GLU 52 2.323 -9.814 0.464 417 HA GLU 52 HA GLU 52 4.497 -11.342 1.419 418 1HB GLU 52 2HB GLU 52 4.289 -8.681 0.061 419 2HB GLU 52 1HB GLU 52 5.838 -9.270 0.652 420 1HG GLU 52 2HG GLU 52 5.385 -11.371 -0.688 421 2HG GLU 52 1HG GLU 52 4.060 -10.488 -1.433 422 H LEU 53 H LEU 53 2.826 -8.565 2.696 423 HA LEU 53 HA LEU 53 4.731 -7.798 4.635 424 1HB LEU 53 2HB LEU 53 2.895 -6.342 4.018 425 2HB LEU 53 1HB LEU 53 1.725 -7.517 4.586 426 HG LEU 53 HG LEU 53 2.627 -7.202 6.898 427 1HD1 LEU 53 1HD1 LEU 53 4.122 -4.922 5.608 428 2HD1 LEU 53 2HD1 LEU 53 4.836 -6.368 6.325 429 3HD1 LEU 53 3HD1 LEU 53 3.979 -5.212 7.343 430 1HD2 LEU 53 1HD2 LEU 53 1.548 -4.757 5.499 431 2HD2 LEU 53 2HD2 LEU 53 1.524 -5.039 7.241 432 3HD2 LEU 53 3HD2 LEU 53 0.599 -6.084 6.164 433 H GLN 54 H GLN 54 1.798 -9.816 4.945 434 HA GLN 54 HA GLN 54 2.373 -10.568 7.623 435 1HB GLN 54 2HB GLN 54 0.344 -11.232 5.596 436 2HB GLN 54 1HB GLN 54 0.658 -12.498 6.771 437 1HG GLN 54 2HG GLN 54 -1.179 -11.099 7.494 438 2HG GLN 54 1HG GLN 54 0.189 -10.930 8.591 439 1HE2 GLN 54 1HE2 GLN 54 -0.477 -8.914 9.350 440 2HE2 GLN 54 2HE2 GLN 54 -0.408 -7.493 8.364 441 H LYS 55 H LYS 55 3.131 -11.983 4.514 442 HA LYS 55 HA LYS 55 4.354 -14.325 5.786 443 1HB LYS 55 2HB LYS 55 2.920 -14.364 3.626 444 2HB LYS 55 1HB LYS 55 4.361 -13.718 2.856 445 1HG LYS 55 2HG LYS 55 5.632 -15.675 3.655 446 2HG LYS 55 1HG LYS 55 4.136 -16.342 4.309 447 1HD LYS 55 2HD LYS 55 3.167 -16.305 2.034 448 2HD LYS 55 1HD LYS 55 4.716 -15.724 1.420 449 1HE LYS 55 2HE LYS 55 5.799 -17.764 2.242 450 2HE LYS 55 1HE LYS 55 4.246 -18.340 2.844 451 1HZ LYS 55 1HZ LYS 55 3.419 -18.308 0.548 452 2HZ LYS 55 2HZ LYS 55 4.745 -19.352 0.732 453 3HZ LYS 55 3HZ LYS 55 4.951 -17.833 0.000 454 H ASN 56 H ASN 56 5.338 -11.608 6.087 455 HA ASN 56 HA ASN 56 7.397 -10.699 4.618 456 1HB ASN 56 2HB ASN 56 8.401 -9.797 6.715 457 2HB ASN 56 1HB ASN 56 6.675 -9.500 6.566 458 1HD2 ASN 56 1HD2 ASN 56 6.474 -9.176 8.777 459 2HD2 ASN 56 2HD2 ASN 56 6.541 -10.483 9.912 460 HA PRO 57 HA PRO 57 10.765 -13.575 4.750 461 1HB PRO 57 2HB PRO 57 12.750 -11.918 3.980 462 2HB PRO 57 1HB PRO 57 11.493 -12.449 2.856 463 1HG PRO 57 2HG PRO 57 11.729 -9.868 4.351 464 2HG PRO 57 1HG PRO 57 11.270 -10.142 2.660 465 1HD PRO 57 2HD PRO 57 9.463 -9.691 4.651 466 2HD PRO 57 1HD PRO 57 9.100 -10.657 3.207 467 HA PRO 58 HA PRO 58 12.883 -13.001 8.628 468 1HB PRO 58 2HB PRO 58 15.327 -14.083 8.088 469 2HB PRO 58 1HB PRO 58 13.877 -15.048 8.379 470 1HG PRO 58 2HG PRO 58 15.162 -14.295 5.785 471 2HG PRO 58 1HG PRO 58 14.449 -15.843 6.275 472 1HD PRO 58 2HD PRO 58 13.154 -14.074 4.690 473 2HD PRO 58 1HD PRO 58 12.306 -15.137 5.829 474 H TYR 59 H TYR 59 14.525 -11.805 9.656 475 HA TYR 59 HA TYR 59 15.925 -9.868 7.938 476 1HB TYR 59 2HB TYR 59 13.895 -8.967 9.134 477 2HB TYR 59 1HB TYR 59 14.723 -9.287 10.648 478 HD1 TYR 59 HD1 TYR 59 15.284 -7.476 7.420 479 HD2 TYR 59 HD2 TYR 59 15.929 -7.579 11.624 480 HE1 TYR 59 HE1 TYR 59 16.349 -5.261 7.306 481 HE2 TYR 59 HE2 TYR 59 16.997 -5.366 11.518 482 HH TYR 59 HH TYR 59 16.926 -3.420 8.637 483 H GLU 60 H GLU 60 18.054 -9.874 8.217 484 HA GLU 60 HA GLU 60 19.362 -11.555 10.060 485 1HB GLU 60 2HB GLU 60 20.399 -10.841 7.949 486 2HB GLU 60 1HB GLU 60 20.463 -9.183 8.530 487 1HG GLU 60 2HG GLU 60 21.945 -9.946 10.368 488 2HG GLU 60 1HG GLU 60 21.955 -11.547 9.635 Start of MODEL 20 1 1H MET 1 1H MET 1 -9.812 -4.590 5.165 2 2H MET 1 2H MET 1 -10.122 -5.397 3.705 3 3H MET 1 3H MET 1 -10.286 -3.712 3.796 4 HA MET 1 HA MET 1 -7.743 -5.163 4.208 5 1HB MET 1 2HB MET 1 -8.869 -3.798 1.761 6 2HB MET 1 1HB MET 1 -7.147 -4.082 1.971 7 1HG MET 1 2HG MET 1 -9.263 -6.222 1.943 8 2HG MET 1 1HG MET 1 -8.246 -5.777 0.575 9 1HE MET 1 1HE MET 1 -5.668 -6.251 0.410 10 2HE MET 1 2HE MET 1 -4.692 -6.837 1.757 11 3HE MET 1 3HE MET 1 -5.440 -5.242 1.838 12 H ILE 2 H ILE 2 -6.215 -3.945 5.136 13 HA ILE 2 HA ILE 2 -6.777 -1.138 5.630 14 HB ILE 2 HB ILE 2 -4.312 -2.666 6.445 15 1HG1 ILE 2 2HG1 ILE 2 -6.286 -3.810 7.336 16 2HG1 ILE 2 1HG1 ILE 2 -5.390 -3.016 8.625 17 1HG2 ILE 2 1HG2 ILE 2 -5.569 -0.146 7.517 18 2HG2 ILE 2 2HG2 ILE 2 -4.101 -0.248 6.545 19 3HG2 ILE 2 3HG2 ILE 2 -4.133 -0.935 8.169 20 1HD1 ILE 2 1HD1 ILE 2 -7.917 -2.010 7.337 21 2HD1 ILE 2 2HD1 ILE 2 -7.015 -1.187 8.610 22 3HD1 ILE 2 3HD1 ILE 2 -7.771 -2.747 8.929 23 H LEU 3 H LEU 3 -6.276 0.276 4.112 24 HA LEU 3 HA LEU 3 -4.598 -0.345 1.927 25 1HB LEU 3 2HB LEU 3 -6.339 1.833 2.789 26 2HB LEU 3 1HB LEU 3 -4.957 2.373 1.875 27 HG LEU 3 HG LEU 3 -6.864 2.052 0.413 28 1HD1 LEU 3 1HD1 LEU 3 -5.862 0.560 -1.233 29 2HD1 LEU 3 2HD1 LEU 3 -4.778 -0.083 0.003 30 3HD1 LEU 3 3HD1 LEU 3 -4.650 1.605 -0.491 31 1HD2 LEU 3 1HD2 LEU 3 -7.820 -0.179 0.060 32 2HD2 LEU 3 2HD2 LEU 3 -8.075 0.391 1.708 33 3HD2 LEU 3 3HD2 LEU 3 -6.826 -0.808 1.376 34 H TYR 4 H TYR 4 -4.163 1.547 4.867 35 HA TYR 4 HA TYR 4 -1.903 2.989 4.169 36 1HB TYR 4 2HB TYR 4 -3.213 3.317 6.255 37 2HB TYR 4 1HB TYR 4 -2.491 1.848 6.903 38 HD1 TYR 4 HD1 TYR 4 -0.931 2.335 8.540 39 HD2 TYR 4 HD2 TYR 4 -1.132 4.827 5.095 40 HE1 TYR 4 HE1 TYR 4 0.978 3.644 9.379 41 HE2 TYR 4 HE2 TYR 4 0.767 6.141 5.924 42 HH TYR 4 HH TYR 4 2.704 5.115 8.573 43 H ASP 5 H ASP 5 -2.047 -0.225 5.685 44 HA ASP 5 HA ASP 5 0.705 -0.660 5.891 45 1HB ASP 5 2HB ASP 5 -1.642 -2.526 5.619 46 2HB ASP 5 1HB ASP 5 0.001 -3.132 5.764 47 H ALA 6 H ALA 6 -1.551 -1.593 3.321 48 HA ALA 6 HA ALA 6 0.283 -2.896 1.663 49 1HB ALA 6 1HB ALA 6 -2.151 -3.067 1.436 50 2HB ALA 6 2HB ALA 6 -1.381 -2.637 -0.088 51 3HB ALA 6 3HB ALA 6 -2.209 -1.402 0.858 52 H ILE 7 H ILE 7 -0.829 0.485 1.597 53 HA ILE 7 HA ILE 7 0.713 1.271 -0.630 54 HB ILE 7 HB ILE 7 -0.323 2.973 1.650 55 1HG1 ILE 7 2HG1 ILE 7 -1.500 2.426 -1.086 56 2HG1 ILE 7 1HG1 ILE 7 -2.063 1.703 0.416 57 1HG2 ILE 7 1HG2 ILE 7 -0.117 4.844 0.075 58 2HG2 ILE 7 2HG2 ILE 7 0.622 3.762 -1.106 59 3HG2 ILE 7 3HG2 ILE 7 1.448 4.100 0.415 60 1HD1 ILE 7 1HD1 ILE 7 -2.130 4.625 -0.287 61 2HD1 ILE 7 2HD1 ILE 7 -2.649 3.934 1.251 62 3HD1 ILE 7 3HD1 ILE 7 -3.503 3.523 -0.237 63 H MET 8 H MET 8 1.338 1.385 2.858 64 HA MET 8 HA MET 8 3.759 2.855 2.682 65 1HB MET 8 2HB MET 8 2.327 2.553 4.738 66 2HB MET 8 1HB MET 8 2.971 0.925 4.869 67 1HG MET 8 2HG MET 8 4.394 1.960 6.280 68 2HG MET 8 1HG MET 8 5.272 2.243 4.781 69 1HE MET 8 1HE MET 8 5.411 4.554 3.542 70 2HE MET 8 2HE MET 8 4.482 5.980 4.003 71 3HE MET 8 3HE MET 8 3.658 4.565 3.349 72 H TYR 9 H TYR 9 2.989 -0.458 2.167 73 HA TYR 9 HA TYR 9 5.616 -1.494 2.659 74 1HB TYR 9 2HB TYR 9 3.556 -2.856 2.895 75 2HB TYR 9 1HB TYR 9 3.301 -2.737 1.159 76 HD1 TYR 9 HD1 TYR 9 4.187 -4.362 -0.256 77 HD2 TYR 9 HD2 TYR 9 5.785 -3.944 3.669 78 HE1 TYR 9 HE1 TYR 9 5.536 -6.389 -0.598 79 HE2 TYR 9 HE2 TYR 9 7.138 -5.971 3.339 80 HH TYR 9 HH TYR 9 7.345 -7.562 0.220 81 H LYS 10 H LYS 10 3.734 -0.773 -0.308 82 HA LYS 10 HA LYS 10 6.018 -1.458 -1.935 83 1HB LYS 10 2HB LYS 10 3.573 -1.993 -2.462 84 2HB LYS 10 1HB LYS 10 3.408 -0.296 -2.882 85 1HG LYS 10 2HG LYS 10 5.635 -1.758 -4.149 86 2HG LYS 10 1HG LYS 10 4.000 -2.189 -4.657 87 1HD LYS 10 2HD LYS 10 4.417 0.682 -4.475 88 2HD LYS 10 1HD LYS 10 5.505 -0.098 -5.609 89 1HE LYS 10 2HE LYS 10 2.496 -0.242 -5.590 90 2HE LYS 10 1HE LYS 10 3.501 0.599 -6.767 91 1HZ LYS 10 1HZ LYS 10 3.684 -2.327 -6.344 92 2HZ LYS 10 2HZ LYS 10 4.256 -1.425 -7.658 93 3HZ LYS 10 3HZ LYS 10 2.585 -1.648 -7.443 94 H TYR 11 H TYR 11 4.404 1.389 -0.726 95 HA TYR 11 HA TYR 11 6.449 3.046 -2.061 96 1HB TYR 11 2HB TYR 11 3.744 3.923 -1.013 97 2HB TYR 11 1HB TYR 11 4.934 4.961 -1.788 98 HD1 TYR 11 HD1 TYR 11 2.088 2.889 -2.280 99 HD2 TYR 11 HD2 TYR 11 5.569 4.367 -4.233 100 HE1 TYR 11 HE1 TYR 11 1.061 2.406 -4.464 101 HE2 TYR 11 HE2 TYR 11 4.552 3.892 -6.420 102 HH TYR 11 HH TYR 11 1.283 3.213 -6.832 103 HA PRO 12 HA PRO 12 7.458 2.722 2.415 104 1HB PRO 12 2HB PRO 12 10.181 3.289 1.458 105 2HB PRO 12 1HB PRO 12 9.590 1.926 2.410 106 1HG PRO 12 2HG PRO 12 10.324 1.638 -0.152 107 2HG PRO 12 1HG PRO 12 8.975 0.715 0.538 108 1HD PRO 12 2HD PRO 12 8.910 3.155 -1.200 109 2HD PRO 12 1HD PRO 12 7.892 1.700 -1.259 110 H ASN 13 H ASN 13 8.338 5.206 0.112 111 HA ASN 13 HA ASN 13 8.872 7.056 2.323 112 1HB ASN 13 2HB ASN 13 9.893 6.955 -0.506 113 2HB ASN 13 1HB ASN 13 10.050 8.388 0.496 114 1HD2 ASN 13 1HD2 ASN 13 11.139 5.157 -0.064 115 2HD2 ASN 13 2HD2 ASN 13 12.439 5.171 1.078 116 H ALA 14 H ALA 14 6.230 6.351 1.161 117 HA ALA 14 HA ALA 14 5.374 8.707 -0.269 118 1HB ALA 14 1HB ALA 14 4.344 6.534 -0.716 119 2HB ALA 14 2HB ALA 14 3.154 7.715 -0.166 120 3HB ALA 14 3HB ALA 14 3.742 6.477 0.942 121 H VAL 15 H VAL 15 4.165 10.397 0.529 122 HA VAL 15 HA VAL 15 4.509 10.947 3.339 123 HB VAL 15 HB VAL 15 3.135 12.645 1.254 124 1HG1 VAL 15 1HG1 VAL 15 2.568 13.272 3.545 125 2HG1 VAL 15 2HG1 VAL 15 3.590 14.502 2.799 126 3HG1 VAL 15 3HG1 VAL 15 4.281 13.363 3.955 127 1HG2 VAL 15 1HG2 VAL 15 5.283 13.884 1.161 128 2HG2 VAL 15 2HG2 VAL 15 5.400 12.236 0.544 129 3HG2 VAL 15 3HG2 VAL 15 6.015 12.621 2.152 130 H SER 16 H SER 16 3.150 9.934 4.679 131 HA SER 16 HA SER 16 0.501 9.196 3.990 132 1HB SER 16 2HB SER 16 1.655 9.376 6.777 133 2HB SER 16 1HB SER 16 0.348 8.336 6.217 134 HG SER 16 HG SER 16 2.110 7.044 6.235 135 H ARG 17 H ARG 17 -1.415 10.135 4.407 136 HA ARG 17 HA ARG 17 -3.014 11.510 5.211 137 1HB ARG 17 2HB ARG 17 -0.877 12.374 7.155 138 2HB ARG 17 1HB ARG 17 -2.549 12.916 7.220 139 1HG ARG 17 2HG ARG 17 -3.259 10.554 7.467 140 2HG ARG 17 1HG ARG 17 -1.558 10.085 7.522 141 1HD ARG 17 2HD ARG 17 -1.215 11.378 9.522 142 2HD ARG 17 1HD ARG 17 -2.850 12.033 9.428 143 HE ARG 17 HE ARG 17 -2.107 9.284 10.184 144 1HH1 ARG 17 1HH1 ARG 17 -4.554 11.762 9.774 145 2HH1 ARG 17 2HH1 ARG 17 -5.747 10.925 10.726 146 1HH2 ARG 17 1HH2 ARG 17 -3.664 8.185 11.444 147 2HH2 ARG 17 2HH2 ARG 17 -5.232 8.895 11.690 148 H LYS 18 H LYS 18 -0.629 12.420 3.344 149 HA LYS 18 HA LYS 18 -1.920 15.003 2.885 150 1HB LYS 18 2HB LYS 18 0.172 15.531 4.062 151 2HB LYS 18 1HB LYS 18 1.084 14.632 2.853 152 1HG LYS 18 2HG LYS 18 0.267 16.201 1.124 153 2HG LYS 18 1HG LYS 18 -0.537 17.127 2.392 154 1HD LYS 18 2HD LYS 18 2.428 16.593 2.266 155 2HD LYS 18 1HD LYS 18 1.648 18.074 1.710 156 1HE LYS 18 2HE LYS 18 0.773 18.416 4.001 157 2HE LYS 18 1HE LYS 18 1.679 16.998 4.525 158 1HZ LYS 18 1HZ LYS 18 3.725 18.100 3.864 159 2HZ LYS 18 2HZ LYS 18 2.877 19.046 4.991 160 3HZ LYS 18 3HZ LYS 18 2.854 19.459 3.346 161 H ASP 19 H ASP 19 0.657 12.939 1.520 162 HA ASP 19 HA ASP 19 -0.219 13.469 -1.158 163 1HB ASP 19 2HB ASP 19 1.949 11.893 0.103 164 2HB ASP 19 1HB ASP 19 1.409 11.351 -1.483 165 H PHE 20 H PHE 20 -0.759 10.994 1.231 166 HA PHE 20 HA PHE 20 -3.110 10.327 -0.334 167 1HB PHE 20 2HB PHE 20 -2.932 7.927 0.098 168 2HB PHE 20 1HB PHE 20 -1.573 8.502 -0.850 169 HD1 PHE 20 HD1 PHE 20 0.644 8.877 0.353 170 HD2 PHE 20 HD2 PHE 20 -2.619 6.749 2.071 171 HE1 PHE 20 HE1 PHE 20 2.183 7.797 1.940 172 HE2 PHE 20 HE2 PHE 20 -1.086 5.672 3.661 173 HZ PHE 20 HZ PHE 20 1.320 6.196 3.596 174 H GLU 21 H GLU 21 -4.738 10.841 0.847 175 HA GLU 21 HA GLU 21 -4.495 10.874 3.760 176 1HB GLU 21 2HB GLU 21 -5.331 12.908 2.701 177 2HB GLU 21 1HB GLU 21 -6.613 12.001 1.914 178 1HG GLU 21 2HG GLU 21 -7.714 11.606 3.968 179 2HG GLU 21 1HG GLU 21 -6.339 12.200 4.897 180 H LEU 22 H LEU 22 -5.685 9.611 5.090 181 HA LEU 22 HA LEU 22 -7.090 7.388 3.761 182 1HB LEU 22 2HB LEU 22 -6.033 7.435 6.579 183 2HB LEU 22 1HB LEU 22 -6.541 6.043 5.649 184 HG LEU 22 HG LEU 22 -4.116 7.711 4.989 185 1HD1 LEU 22 1HD1 LEU 22 -4.298 5.056 6.403 186 2HD1 LEU 22 2HD1 LEU 22 -3.867 6.595 7.149 187 3HD1 LEU 22 3HD1 LEU 22 -2.817 5.881 5.924 188 1HD2 LEU 22 1HD2 LEU 22 -5.036 5.019 3.987 189 2HD2 LEU 22 2HD2 LEU 22 -3.534 5.833 3.547 190 3HD2 LEU 22 3HD2 LEU 22 -5.087 6.530 3.080 191 H ARG 23 H ARG 23 -9.038 6.623 4.629 192 HA ARG 23 HA ARG 23 -10.238 8.157 6.810 193 1HB ARG 23 2HB ARG 23 -11.057 8.448 4.132 194 2HB ARG 23 1HB ARG 23 -12.289 7.463 4.913 195 1HG ARG 23 2HG ARG 23 -13.008 9.666 5.199 196 2HG ARG 23 1HG ARG 23 -12.296 9.225 6.748 197 1HD ARG 23 2HD ARG 23 -10.202 10.319 6.078 198 2HD ARG 23 1HD ARG 23 -10.954 10.809 4.564 199 HE ARG 23 HE ARG 23 -12.022 11.703 7.165 200 1HH1 ARG 23 1HH1 ARG 23 -10.856 12.363 3.940 201 2HH1 ARG 23 2HH1 ARG 23 -11.102 14.075 4.047 202 1HH2 ARG 23 1HH2 ARG 23 -12.327 13.968 7.341 203 2HH2 ARG 23 2HH2 ARG 23 -11.942 14.988 5.987 204 H ASN 24 H ASN 24 -11.987 7.054 7.877 205 HA ASN 24 HA ASN 24 -11.509 4.182 7.893 206 1HB ASN 24 2HB ASN 24 -11.600 5.594 9.992 207 2HB ASN 24 1HB ASN 24 -13.325 5.772 9.711 208 1HD2 ASN 24 1HD2 ASN 24 -11.879 4.549 11.919 209 2HD2 ASN 24 2HD2 ASN 24 -12.470 2.931 12.024 210 H ASP 25 H ASP 25 -12.641 3.004 6.495 211 HA ASP 25 HA ASP 25 -15.209 3.928 5.517 212 1HB ASP 25 2HB ASP 25 -13.677 2.975 3.906 213 2HB ASP 25 1HB ASP 25 -13.555 1.490 4.847 214 H GLY 26 H GLY 26 -13.945 1.247 7.421 215 1HA GLY 26 2HA GLY 26 -15.847 0.747 9.187 216 2HA GLY 26 1HA GLY 26 -16.627 0.133 7.736 217 H ASN 27 H ASN 27 -14.381 -0.923 6.449 218 HA ASN 27 HA ASN 27 -13.661 -3.145 8.247 219 1HB ASN 27 2HB ASN 27 -14.894 -3.515 5.980 220 2HB ASN 27 1HB ASN 27 -13.331 -3.175 5.249 221 1HD2 ASN 27 1HD2 ASN 27 -14.873 -5.616 5.155 222 2HD2 ASN 27 2HD2 ASN 27 -13.871 -6.856 5.831 223 H GLY 28 H GLY 28 -12.456 -0.473 8.129 224 1HA GLY 28 2HA GLY 28 -10.036 -0.446 8.802 225 2HA GLY 28 1HA GLY 28 -9.742 -1.197 7.240 226 H SER 29 H SER 29 -8.321 0.921 7.529 227 HA SER 29 HA SER 29 -9.715 3.291 6.584 228 1HB SER 29 2HB SER 29 -6.739 2.962 6.980 229 2HB SER 29 1HB SER 29 -7.684 4.452 7.009 230 HG SER 29 HG SER 29 -8.305 4.052 9.014 231 H TYR 30 H TYR 30 -9.747 3.934 4.495 232 HA TYR 30 HA TYR 30 -7.925 2.583 2.621 233 1HB TYR 30 2HB TYR 30 -9.638 2.334 0.995 234 2HB TYR 30 1HB TYR 30 -10.307 1.738 2.504 235 HD1 TYR 30 HD1 TYR 30 -11.149 3.417 -0.321 236 HD2 TYR 30 HD2 TYR 30 -11.457 3.876 3.900 237 HE1 TYR 30 HE1 TYR 30 -13.094 4.885 -0.629 238 HE2 TYR 30 HE2 TYR 30 -13.403 5.349 3.600 239 HH TYR 30 HH TYR 30 -14.330 6.836 1.818 240 H ILE 31 H ILE 31 -8.321 3.890 0.347 241 HA ILE 31 HA ILE 31 -7.003 6.370 0.882 242 HB ILE 31 HB ILE 31 -7.952 5.286 -1.773 243 1HG1 ILE 31 2HG1 ILE 31 -5.231 5.028 -0.473 244 2HG1 ILE 31 1HG1 ILE 31 -6.424 3.738 -0.544 245 1HG2 ILE 31 1HG2 ILE 31 -5.879 7.368 -1.095 246 2HG2 ILE 31 2HG2 ILE 31 -7.452 7.664 -1.836 247 3HG2 ILE 31 3HG2 ILE 31 -6.222 6.751 -2.711 248 1HD1 ILE 31 1HD1 ILE 31 -6.307 3.778 -2.989 249 2HD1 ILE 31 2HD1 ILE 31 -4.743 3.439 -2.246 250 3HD1 ILE 31 3HD1 ILE 31 -5.082 5.042 -2.897 251 H GLU 32 H GLU 32 -7.931 8.228 1.256 252 HA GLU 32 HA GLU 32 -10.661 8.743 0.324 253 1HB GLU 32 2HB GLU 32 -10.340 9.162 2.664 254 2HB GLU 32 1HB GLU 32 -8.882 10.092 2.361 255 1HG GLU 32 2HG GLU 32 -10.502 11.686 2.848 256 2HG GLU 32 1HG GLU 32 -10.373 11.714 1.091 257 H LYS 33 H LYS 33 -7.462 10.268 0.441 258 HA LYS 33 HA LYS 33 -8.179 11.868 -1.925 259 1HB LYS 33 2HB LYS 33 -8.037 12.929 0.563 260 2HB LYS 33 1HB LYS 33 -6.355 13.068 0.084 261 1HG LYS 33 2HG LYS 33 -8.687 14.210 -1.432 262 2HG LYS 33 1HG LYS 33 -7.636 15.107 -0.349 263 1HD LYS 33 2HD LYS 33 -5.736 14.310 -1.842 264 2HD LYS 33 1HD LYS 33 -6.995 13.883 -2.993 265 1HE LYS 33 2HE LYS 33 -6.486 16.612 -1.829 266 2HE LYS 33 1HE LYS 33 -6.122 16.100 -3.475 267 1HZ LYS 33 1HZ LYS 33 -8.486 15.787 -3.864 268 2HZ LYS 33 2HZ LYS 33 -8.159 17.377 -3.373 269 3HZ LYS 33 3HZ LYS 33 -8.841 16.278 -2.278 270 H TRP 34 H TRP 34 -6.868 11.178 -3.511 271 HA TRP 34 HA TRP 34 -4.193 10.201 -2.822 272 1HB TRP 34 2HB TRP 34 -5.794 8.741 -4.122 273 2HB TRP 34 1HB TRP 34 -5.676 9.898 -5.439 274 HD1 TRP 34 HD1 TRP 34 -3.655 9.649 -7.066 275 HE1 TRP 34 HE1 TRP 34 -1.675 8.013 -7.233 276 HE3 TRP 34 HE3 TRP 34 -4.115 7.352 -2.524 277 HZ2 TRP 34 HZ2 TRP 34 -0.469 6.021 -5.655 278 HZ3 TRP 34 HZ3 TRP 34 -2.505 5.589 -1.931 279 HH2 TRP 34 HH2 TRP 34 -0.718 4.936 -3.465 280 H ASN 35 H ASN 35 -2.651 11.670 -2.970 281 HA ASN 35 HA ASN 35 -2.773 13.661 -5.137 282 1HB ASN 35 2HB ASN 35 -1.640 13.829 -2.353 283 2HB ASN 35 1HB ASN 35 -1.119 14.931 -3.622 284 1HD2 ASN 35 1HD2 ASN 35 -2.591 15.361 -1.088 285 2HD2 ASN 35 2HD2 ASN 35 -4.023 16.214 -1.546 286 H LEU 36 H LEU 36 -1.287 10.906 -4.158 287 HA LEU 36 HA LEU 36 1.427 11.430 -4.711 288 1HB LEU 36 2HB LEU 36 -0.198 8.913 -4.605 289 2HB LEU 36 1HB LEU 36 1.471 8.880 -5.122 290 HG LEU 36 HG LEU 36 0.602 9.970 -2.458 291 1HD1 LEU 36 1HD1 LEU 36 1.368 7.863 -1.507 292 2HD1 LEU 36 2HD1 LEU 36 1.688 7.239 -3.125 293 3HD1 LEU 36 3HD1 LEU 36 0.032 7.592 -2.628 294 1HD2 LEU 36 1HD2 LEU 36 2.964 9.715 -1.903 295 2HD2 LEU 36 2HD2 LEU 36 2.755 10.787 -3.289 296 3HD2 LEU 36 3HD2 LEU 36 3.289 9.122 -3.532 297 H ARG 37 H ARG 37 2.593 11.366 -6.495 298 HA ARG 37 HA ARG 37 1.241 11.343 -9.051 299 1HB ARG 37 2HB ARG 37 4.151 11.748 -8.318 300 2HB ARG 37 1HB ARG 37 3.496 11.921 -9.942 301 1HG ARG 37 2HG ARG 37 2.238 13.817 -9.352 302 2HG ARG 37 1HG ARG 37 2.447 13.520 -7.627 303 1HD ARG 37 2HD ARG 37 3.850 15.360 -8.344 304 2HD ARG 37 1HD ARG 37 4.842 13.992 -7.844 305 HE ARG 37 HE ARG 37 4.255 14.346 -10.694 306 1HH1 ARG 37 1HH1 ARG 37 6.533 14.506 -8.035 307 2HH1 ARG 37 2HH1 ARG 37 7.933 14.554 -9.069 308 1HH2 ARG 37 1HH2 ARG 37 6.092 14.416 -12.055 309 2HH2 ARG 37 2HH2 ARG 37 7.685 14.516 -11.349 310 H ALA 38 H ALA 38 1.131 8.960 -7.670 311 HA ALA 38 HA ALA 38 2.713 7.131 -9.348 312 1HB ALA 38 1HB ALA 38 2.787 5.568 -7.455 313 2HB ALA 38 2HB ALA 38 1.959 6.756 -6.447 314 3HB ALA 38 3HB ALA 38 3.577 7.094 -7.060 315 HA PRO 39 HA PRO 39 -1.122 5.416 -10.694 316 1HB PRO 39 2HB PRO 39 0.212 2.780 -10.429 317 2HB PRO 39 1HB PRO 39 -0.554 3.519 -11.839 318 1HG PRO 39 2HG PRO 39 2.106 3.351 -11.637 319 2HG PRO 39 1HG PRO 39 1.323 4.765 -12.369 320 1HD PRO 39 2HD PRO 39 2.551 4.459 -9.663 321 2HD PRO 39 1HD PRO 39 2.557 5.856 -10.757 322 H LEU 40 H LEU 40 -2.941 4.562 -9.852 323 HA LEU 40 HA LEU 40 -3.125 3.984 -7.092 324 1HB LEU 40 2HB LEU 40 -4.973 3.812 -9.433 325 2HB LEU 40 1HB LEU 40 -5.436 3.045 -7.932 326 HG LEU 40 HG LEU 40 -6.462 5.223 -8.070 327 1HD1 LEU 40 1HD1 LEU 40 -4.193 5.268 -6.096 328 2HD1 LEU 40 2HD1 LEU 40 -5.735 4.447 -5.873 329 3HD1 LEU 40 3HD1 LEU 40 -5.685 6.205 -5.998 330 1HD2 LEU 40 1HD2 LEU 40 -4.908 6.298 -9.601 331 2HD2 LEU 40 2HD2 LEU 40 -3.669 6.323 -8.346 332 3HD2 LEU 40 3HD2 LEU 40 -5.139 7.277 -8.153 333 HA PRO 41 HA PRO 41 -1.712 -0.230 -7.122 334 1HB PRO 41 2HB PRO 41 -2.971 -0.911 -4.746 335 2HB PRO 41 1HB PRO 41 -1.368 -0.191 -4.882 336 1HG PRO 41 2HG PRO 41 -3.983 1.101 -4.266 337 2HG PRO 41 1HG PRO 41 -2.371 1.456 -3.617 338 1HD PRO 41 2HD PRO 41 -3.522 3.017 -5.477 339 2HD PRO 41 1HD PRO 41 -1.769 2.721 -5.456 340 H THR 42 H THR 42 -2.541 -2.296 -7.459 341 HA THR 42 HA THR 42 -5.378 -2.315 -8.206 342 HB THR 42 HB THR 42 -4.790 -4.329 -9.567 343 HG1 THR 42 HG1 THR 42 -2.074 -3.581 -9.147 344 1HG2 THR 42 1HG2 THR 42 -4.902 -2.121 -10.595 345 2HG2 THR 42 2HG2 THR 42 -3.615 -3.082 -11.326 346 3HG2 THR 42 3HG2 THR 42 -3.223 -1.821 -10.155 347 H GLN 43 H GLN 43 -6.420 -4.528 -8.038 348 HA GLN 43 HA GLN 43 -6.711 -5.227 -5.357 349 1HB GLN 43 2HB GLN 43 -8.312 -5.652 -7.276 350 2HB GLN 43 1HB GLN 43 -7.315 -7.031 -7.701 351 1HG GLN 43 2HG GLN 43 -9.215 -7.769 -6.433 352 2HG GLN 43 1HG GLN 43 -7.744 -8.004 -5.490 353 1HE2 GLN 43 1HE2 GLN 43 -7.443 -6.865 -3.626 354 2HE2 GLN 43 2HE2 GLN 43 -8.669 -5.876 -2.902 355 H ALA 44 H ALA 44 -5.129 -7.075 -7.944 356 HA ALA 44 HA ALA 44 -4.157 -9.167 -6.373 357 1HB ALA 44 1HB ALA 44 -2.869 -8.022 -8.846 358 2HB ALA 44 2HB ALA 44 -4.205 -9.174 -8.834 359 3HB ALA 44 3HB ALA 44 -2.632 -9.641 -8.184 360 H GLU 45 H GLU 45 -2.610 -6.101 -7.250 361 HA GLU 45 HA GLU 45 -0.156 -6.497 -5.991 362 1HB GLU 45 2HB GLU 45 -1.763 -4.055 -6.651 363 2HB GLU 45 1HB GLU 45 -0.275 -3.898 -5.733 364 1HG GLU 45 2HG GLU 45 0.953 -4.974 -7.564 365 2HG GLU 45 1HG GLU 45 -0.552 -5.103 -8.477 366 H LEU 46 H LEU 46 -3.068 -4.889 -4.708 367 HA LEU 46 HA LEU 46 -2.147 -4.230 -2.198 368 1HB LEU 46 2HB LEU 46 -4.889 -5.074 -3.113 369 2HB LEU 46 1HB LEU 46 -4.567 -4.446 -1.516 370 HG LEU 46 HG LEU 46 -4.090 -2.937 -4.084 371 1HD1 LEU 46 1HD1 LEU 46 -6.467 -3.296 -3.664 372 2HD1 LEU 46 2HD1 LEU 46 -6.025 -1.605 -3.421 373 3HD1 LEU 46 3HD1 LEU 46 -6.277 -2.661 -2.030 374 1HD2 LEU 46 1HD2 LEU 46 -2.583 -2.295 -2.260 375 2HD2 LEU 46 2HD2 LEU 46 -3.974 -2.035 -1.208 376 3HD2 LEU 46 3HD2 LEU 46 -3.740 -1.018 -2.628 377 H GLU 47 H GLU 47 -3.737 -7.262 -3.180 378 HA GLU 47 HA GLU 47 -3.602 -8.380 -0.575 379 1HB GLU 47 2HB GLU 47 -4.140 -9.609 -3.269 380 2HB GLU 47 1HB GLU 47 -4.209 -10.516 -1.762 381 1HG GLU 47 2HG GLU 47 -5.926 -8.947 -0.942 382 2HG GLU 47 1HG GLU 47 -5.898 -8.144 -2.511 383 H THR 48 H THR 48 -1.459 -8.463 -3.364 384 HA THR 48 HA THR 48 0.163 -10.611 -2.445 385 HB THR 48 HB THR 48 0.867 -8.325 -4.310 386 HG1 THR 48 HG1 THR 48 -0.844 -9.789 -4.982 387 1HG2 THR 48 1HG2 THR 48 2.881 -9.353 -3.365 388 2HG2 THR 48 2HG2 THR 48 2.705 -9.758 -5.072 389 3HG2 THR 48 3HG2 THR 48 2.292 -10.947 -3.838 390 H TRP 49 H TRP 49 0.436 -7.062 -2.092 391 HA TRP 49 HA TRP 49 2.841 -7.122 -0.609 392 1HB TRP 49 2HB TRP 49 0.621 -5.079 -0.397 393 2HB TRP 49 1HB TRP 49 2.301 -4.857 0.080 394 HD1 TRP 49 HD1 TRP 49 3.610 -6.102 -2.611 395 HE1 TRP 49 HE1 TRP 49 3.504 -4.710 -4.779 396 HE3 TRP 49 HE3 TRP 49 -0.240 -2.987 -1.378 397 HZ2 TRP 49 HZ2 TRP 49 1.988 -2.572 -5.804 398 HZ3 TRP 49 HZ3 TRP 49 -0.954 -1.290 -3.005 399 HH2 TRP 49 HH2 TRP 49 0.141 -1.089 -5.177 400 H TRP 50 H TRP 50 -0.548 -7.256 0.305 401 HA TRP 50 HA TRP 50 -0.268 -7.262 3.087 402 1HB TRP 50 2HB TRP 50 -2.404 -7.042 1.791 403 2HB TRP 50 1HB TRP 50 -2.323 -8.765 1.451 404 HD1 TRP 50 HD1 TRP 50 -3.094 -10.418 3.353 405 HE1 TRP 50 HE1 TRP 50 -4.252 -10.074 5.628 406 HE3 TRP 50 HE3 TRP 50 -2.486 -5.365 3.799 407 HZ2 TRP 50 HZ2 TRP 50 -4.824 -7.931 7.378 408 HZ3 TRP 50 HZ3 TRP 50 -3.370 -4.242 5.801 409 HH2 TRP 50 HH2 TRP 50 -4.516 -5.500 7.553 410 H GLU 51 H GLU 51 -0.398 -9.963 0.783 411 HA GLU 51 HA GLU 51 -0.022 -12.031 2.633 412 1HB GLU 51 2HB GLU 51 0.220 -11.698 -0.312 413 2HB GLU 51 1HB GLU 51 0.912 -13.135 0.401 414 1HG GLU 51 2HG GLU 51 -1.275 -13.648 1.422 415 2HG GLU 51 1HG GLU 51 -1.945 -12.230 0.619 416 H GLU 52 H GLU 52 2.350 -10.251 0.656 417 HA GLU 52 HA GLU 52 4.605 -11.631 1.599 418 1HB GLU 52 2HB GLU 52 4.242 -8.880 0.451 419 2HB GLU 52 1HB GLU 52 5.814 -9.441 1.005 420 1HG GLU 52 2HG GLU 52 5.582 -11.384 -0.530 421 2HG GLU 52 1HG GLU 52 4.120 -10.639 -1.166 422 H LEU 53 H LEU 53 2.838 -8.861 2.876 423 HA LEU 53 HA LEU 53 4.630 -8.206 4.946 424 1HB LEU 53 2HB LEU 53 2.785 -6.753 4.190 425 2HB LEU 53 1HB LEU 53 1.624 -7.887 4.855 426 HG LEU 53 HG LEU 53 2.605 -7.460 7.113 427 1HD1 LEU 53 1HD1 LEU 53 3.984 -5.462 7.413 428 2HD1 LEU 53 2HD1 LEU 53 4.063 -5.257 5.663 429 3HD1 LEU 53 3HD1 LEU 53 4.796 -6.672 6.418 430 1HD2 LEU 53 1HD2 LEU 53 1.487 -5.077 5.638 431 2HD2 LEU 53 2HD2 LEU 53 1.525 -5.271 7.391 432 3HD2 LEU 53 3HD2 LEU 53 0.556 -6.364 6.402 433 H GLN 54 H GLN 54 1.915 -10.488 4.789 434 HA GLN 54 HA GLN 54 1.997 -11.277 7.499 435 1HB GLN 54 2HB GLN 54 1.102 -12.892 5.108 436 2HB GLN 54 1HB GLN 54 0.684 -13.196 6.777 437 1HG GLN 54 2HG GLN 54 -0.194 -10.895 5.066 438 2HG GLN 54 1HG GLN 54 -1.189 -12.199 5.708 439 1HE2 GLN 54 1HE2 GLN 54 0.369 -9.204 6.355 440 2HE2 GLN 54 2HE2 GLN 54 -0.305 -8.930 7.929 441 H LYS 55 H LYS 55 3.612 -12.342 4.593 442 HA LYS 55 HA LYS 55 4.969 -14.554 5.900 443 1HB LYS 55 2HB LYS 55 4.095 -14.560 3.530 444 2HB LYS 55 1HB LYS 55 5.395 -13.448 3.130 445 1HG LYS 55 2HG LYS 55 7.010 -15.173 3.920 446 2HG LYS 55 1HG LYS 55 5.649 -16.283 4.096 447 1HD LYS 55 2HD LYS 55 5.128 -16.085 1.745 448 2HD LYS 55 1HD LYS 55 6.393 -14.874 1.541 449 1HE LYS 55 2HE LYS 55 8.078 -16.550 2.157 450 2HE LYS 55 1HE LYS 55 6.801 -17.755 2.322 451 1HZ LYS 55 1HZ LYS 55 6.293 -17.553 0.006 452 2HZ LYS 55 2HZ LYS 55 7.958 -17.844 0.161 453 3HZ LYS 55 3HZ LYS 55 7.397 -16.280 -0.184 454 H ASN 56 H ASN 56 5.414 -11.399 6.181 455 HA ASN 56 HA ASN 56 8.309 -11.368 5.732 456 1HB ASN 56 2HB ASN 56 7.157 -9.528 4.706 457 2HB ASN 56 1HB ASN 56 6.296 -9.160 6.189 458 1HD2 ASN 56 1HD2 ASN 56 7.209 -7.857 7.641 459 2HD2 ASN 56 2HD2 ASN 56 8.758 -7.129 7.457 460 HA PRO 57 HA PRO 57 9.209 -11.696 10.102 461 1HB PRO 57 2HB PRO 57 11.629 -10.375 10.007 462 2HB PRO 57 1HB PRO 57 11.407 -12.087 9.632 463 1HG PRO 57 2HG PRO 57 11.621 -9.752 7.777 464 2HG PRO 57 1HG PRO 57 12.309 -11.379 7.619 465 1HD PRO 57 2HD PRO 57 10.114 -10.639 6.263 466 2HD PRO 57 1HD PRO 57 10.313 -12.291 6.884 467 HA PRO 58 HA PRO 58 7.430 -7.916 11.532 468 1HB PRO 58 2HB PRO 58 8.438 -8.119 14.135 469 2HB PRO 58 1HB PRO 58 6.895 -8.743 13.554 470 1HG PRO 58 2HG PRO 58 9.477 -10.157 13.973 471 2HG PRO 58 1HG PRO 58 7.820 -10.755 14.169 472 1HD PRO 58 2HD PRO 58 9.335 -11.442 12.058 473 2HD PRO 58 1HD PRO 58 7.580 -11.207 11.916 474 H TYR 59 H TYR 59 8.004 -5.856 11.731 475 HA TYR 59 HA TYR 59 10.782 -5.163 11.404 476 1HB TYR 59 2HB TYR 59 8.993 -3.995 10.149 477 2HB TYR 59 1HB TYR 59 8.334 -3.394 11.665 478 HD1 TYR 59 HD1 TYR 59 11.309 -3.246 9.454 479 HD2 TYR 59 HD2 TYR 59 9.159 -1.408 12.627 480 HE1 TYR 59 HE1 TYR 59 12.749 -1.262 9.269 481 HE2 TYR 59 HE2 TYR 59 10.593 0.584 12.456 482 HH TYR 59 HH TYR 59 12.850 1.176 11.633 483 H GLU 60 H GLU 60 12.130 -4.695 13.017 484 HA GLU 60 HA GLU 60 11.443 -4.813 15.721 485 1HB GLU 60 2HB GLU 60 13.730 -5.142 14.930 486 2HB GLU 60 1HB GLU 60 13.812 -3.463 14.411 487 1HG GLU 60 2HG GLU 60 13.576 -2.744 16.742 488 2HG GLU 60 1HG GLU 60 13.532 -4.433 17.249
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