NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
10374 | 1pon | 3118 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ACE 1 1HH3 ACE 1 23.186 5.177 -1.822 2 2H ACE 1 2HH3 ACE 1 24.398 5.812 -0.653 3 3H ACE 1 3HH3 ACE 1 23.701 4.180 -0.443 4 H LYS 2 H LYS 2 22.703 7.608 -0.581 5 HA LYS 2 HA LYS 2 20.756 7.150 1.657 6 1HB LYS 2 1HB LYS 2 21.811 9.662 0.276 7 2HB LYS 2 2HB LYS 2 20.511 9.786 1.440 8 1HG LYS 2 1HG LYS 2 23.390 8.679 1.972 9 2HG LYS 2 2HG LYS 2 22.834 10.277 2.395 10 1HD LYS 2 1HD LYS 2 21.636 9.533 4.281 11 2HD LYS 2 2HD LYS 2 21.167 8.000 3.542 12 1HE LYS 2 1HE LYS 2 23.281 6.949 3.952 13 2HE LYS 2 2HE LYS 2 24.152 8.472 4.209 14 1HZ LYS 2 1HZ LYS 2 22.788 8.781 6.352 15 2HZ LYS 2 2HZ LYS 2 22.094 7.285 6.142 16 3HZ LYS 2 3HZ LYS 2 23.680 7.495 6.383 17 H SER 3 H SER 3 19.754 5.816 -0.499 18 HA SER 3 HA SER 3 17.954 7.683 -2.141 19 1HB SER 3 1HB SER 3 19.666 5.297 -2.830 20 2HB SER 3 2HB SER 3 18.178 5.450 -3.733 21 HG SER 3 HG SER 3 18.889 7.786 -3.998 22 H GLU 4 H GLU 4 17.508 4.167 -2.170 23 HA GLU 4 HA GLU 4 14.709 4.586 -1.126 24 1HB GLU 4 1HB GLU 4 13.506 4.646 -2.940 25 2HB GLU 4 2HB GLU 4 15.003 5.092 -3.722 26 1HG GLU 4 1HG GLU 4 13.509 2.407 -3.879 27 2HG GLU 4 2HG GLU 4 14.002 3.457 -5.202 28 H GLU 5 H GLU 5 17.180 2.978 -0.532 29 HA GLU 5 HA GLU 5 16.841 0.327 -1.658 30 1HB GLU 5 1HB GLU 5 19.031 0.930 -1.407 31 2HB GLU 5 2HB GLU 5 18.831 1.624 0.173 32 1HG GLU 5 1HG GLU 5 19.172 -0.461 1.300 33 2HG GLU 5 2HG GLU 5 18.584 -1.429 -0.039 34 H GLU 6 H GLU 6 16.422 1.280 1.759 35 HA GLU 6 HA GLU 6 15.400 -1.416 2.491 36 1HB GLU 6 1HB GLU 6 16.578 0.829 3.861 37 2HB GLU 6 2HB GLU 6 15.093 0.454 4.682 38 1HG GLU 6 1HG GLU 6 16.394 -1.038 5.888 39 2HG GLU 6 2HG GLU 6 16.198 -2.121 4.522 40 H LEU 7 H LEU 7 13.856 1.696 1.976 41 HA LEU 7 HA LEU 7 11.013 0.763 2.376 42 1HB LEU 7 1HB LEU 7 12.203 3.087 0.765 43 2HB LEU 7 2HB LEU 7 10.489 2.771 0.875 44 HG LEU 7 HG LEU 7 11.074 2.909 3.576 45 1HD1 LEU 7 1HD1 LEU 7 13.478 3.417 3.189 46 2HD1 LEU 7 2HD1 LEU 7 13.062 4.839 2.198 47 3HD1 LEU 7 3HD1 LEU 7 12.671 4.802 3.937 48 1HD2 LEU 7 1HD2 LEU 7 10.452 5.313 1.703 49 2HD2 LEU 7 2HD2 LEU 7 9.265 4.247 2.503 50 3HD2 LEU 7 3HD2 LEU 7 10.272 5.320 3.478 51 H ALA 8 H ALA 8 13.325 0.741 -0.378 52 HA ALA 8 HA ALA 8 11.755 -0.691 -2.278 53 1HB ALA 8 1HB ALA 8 14.770 -0.962 -1.632 54 2HB ALA 8 2HB ALA 8 13.993 -1.511 -3.131 55 3HB ALA 8 3HB ALA 8 14.013 0.212 -2.734 56 H ASN 9 H ASN 9 14.216 -2.681 -0.627 57 HA ASN 9 HA ASN 9 13.084 -5.189 -0.554 58 1HB ASN 9 1HB ASN 9 14.471 -3.904 1.902 59 2HB ASN 9 2HB ASN 9 14.279 -5.616 1.649 60 1HD2 ASN 9 1HD2 ASN 9 16.808 -5.545 -1.037 61 2HD2 ASN 9 2HD2 ASN 9 15.134 -6.211 -0.775 62 H ALA 10 H ALA 10 12.002 -2.632 1.647 63 HA ALA 10 HA ALA 10 9.972 -4.168 3.166 64 1HB ALA 10 1HB ALA 10 10.987 -2.006 3.911 65 2HB ALA 10 2HB ALA 10 10.182 -1.134 2.581 66 3HB ALA 10 3HB ALA 10 9.216 -1.892 3.866 67 H PHE 11 H PHE 11 9.540 -1.941 0.380 68 HA PHE 11 HA PHE 11 6.730 -2.528 -0.113 69 1HB PHE 11 1HB PHE 11 7.929 -0.483 -0.880 70 2HB PHE 11 2HB PHE 11 8.884 -1.412 -1.986 71 HD1 PHE 11 HD1 PHE 11 5.366 -0.276 -1.366 72 HD2 PHE 11 HD2 PHE 11 8.068 -1.993 -4.241 73 HE1 PHE 11 HE1 PHE 11 3.789 0.254 -3.179 74 HE2 PHE 11 HE2 PHE 11 6.470 -1.463 -6.040 75 HZ PHE 11 HZ PHE 11 4.326 -0.344 -5.507 76 H ARG 12 H ARG 12 9.606 -4.048 -1.583 77 HA ARG 12 HA ARG 12 8.067 -5.998 -3.145 78 1HB ARG 12 1HB ARG 12 10.622 -5.168 -3.275 79 2HB ARG 12 2HB ARG 12 10.931 -6.582 -2.274 80 1HG ARG 12 1HG ARG 12 9.690 -8.011 -4.049 81 2HG ARG 12 2HG ARG 12 9.579 -6.571 -5.070 82 1HD ARG 12 1HD ARG 12 12.231 -6.415 -4.761 83 2HD ARG 12 2HD ARG 12 12.104 -8.115 -4.229 84 HE ARG 12 HE ARG 12 11.015 -8.675 -6.471 85 1HH1 ARG 12 2HH1 ARG 12 12.630 -5.614 -6.308 86 2HH1 ARG 12 1HH1 ARG 12 12.803 -5.516 -8.127 87 1HH2 ARG 12 1HH2 ARG 12 11.213 -8.546 -8.499 88 2HH2 ARG 12 2HH2 ARG 12 12.025 -7.124 -9.302 89 H ILE 13 H ILE 13 9.244 -6.096 0.176 90 HA ILE 13 HA ILE 13 8.905 -9.027 0.673 91 HB ILE 13 HB ILE 13 9.277 -6.606 2.486 92 1HG1 ILE 13 1HG1 ILE 13 11.266 -7.972 1.304 93 2HG1 ILE 13 2HG1 ILE 13 11.429 -7.360 2.928 94 1HG2 ILE 13 1HG2 ILE 13 7.638 -8.068 3.733 95 2HG2 ILE 13 2HG2 ILE 13 8.693 -9.484 3.508 96 3HG2 ILE 13 3HG2 ILE 13 9.202 -8.122 4.526 97 1HD1 ILE 13 1HD1 ILE 13 10.854 -9.594 3.936 98 2HD1 ILE 13 2HD1 ILE 13 10.741 -10.295 2.303 99 3HD1 ILE 13 3HD1 ILE 13 12.289 -9.654 2.887 100 H PHE 14 H PHE 14 6.853 -6.159 0.914 101 HA PHE 14 HA PHE 14 4.427 -7.486 2.043 102 1HB PHE 14 1HB PHE 14 4.930 -4.837 0.560 103 2HB PHE 14 2HB PHE 14 3.308 -5.371 0.854 104 HD1 PHE 14 HD1 PHE 14 6.161 -5.803 3.298 105 HD2 PHE 14 HD2 PHE 14 2.547 -3.687 2.345 106 HE1 PHE 14 HE1 PHE 14 6.168 -4.778 5.537 107 HE2 PHE 14 HE2 PHE 14 2.572 -2.647 4.577 108 HZ PHE 14 HZ PHE 14 4.368 -3.217 6.192 109 H ASP 15 H ASP 15 5.530 -6.733 -1.258 110 HA ASP 15 HA ASP 15 3.008 -7.299 -2.568 111 1HB ASP 15 1HB ASP 15 4.737 -5.736 -3.428 112 2HB ASP 15 2HB ASP 15 5.856 -7.056 -3.732 113 H LYS 16 H LYS 16 2.221 -8.971 -3.841 114 HA LYS 16 HA LYS 16 2.869 -11.669 -2.677 115 1HB LYS 16 1HB LYS 16 0.635 -10.709 -4.549 116 2HB LYS 16 2HB LYS 16 0.895 -12.409 -4.275 117 1HG LYS 16 1HG LYS 16 0.143 -10.268 -2.154 118 2HG LYS 16 2HG LYS 16 -0.956 -11.431 -2.886 119 1HD LYS 16 1HD LYS 16 1.299 -11.975 -0.871 120 2HD LYS 16 2HD LYS 16 -0.432 -12.255 -0.699 121 1HE LYS 16 1HE LYS 16 -0.470 -14.288 -1.758 122 2HE LYS 16 2HE LYS 16 0.799 -13.873 -2.929 123 1HZ LYS 16 1HZ LYS 16 1.528 -13.962 -0.016 124 2HZ LYS 16 2HZ LYS 16 1.413 -15.416 -0.774 125 3HZ LYS 16 3HZ LYS 16 2.508 -14.284 -1.276 126 H ASN 17 H ASN 17 2.114 -10.897 -6.076 127 HA ASN 17 HA ASN 17 4.226 -12.858 -6.947 128 1HB ASN 17 1HB ASN 17 1.681 -11.768 -8.223 129 2HB ASN 17 2HB ASN 17 2.859 -12.569 -9.227 130 1HD2 ASN 17 1HD2 ASN 17 0.415 -14.825 -6.963 131 2HD2 ASN 17 2HD2 ASN 17 0.704 -13.133 -6.440 132 H ALA 18 H ALA 18 3.587 -9.431 -7.372 133 HA ALA 18 HA ALA 18 5.344 -7.777 -7.512 134 1HB ALA 18 1HB ALA 18 6.743 -9.618 -6.505 135 2HB ALA 18 2HB ALA 18 7.097 -10.234 -8.134 136 3HB ALA 18 3HB ALA 18 7.687 -8.633 -7.656 137 H ASP 19 H ASP 19 3.707 -8.197 -9.904 138 HA ASP 19 HA ASP 19 5.392 -7.235 -12.126 139 1HB ASP 19 1HB ASP 19 2.455 -6.492 -11.544 140 2HB ASP 19 2HB ASP 19 3.268 -6.434 -13.102 141 H GLY 20 H GLY 20 4.530 -5.760 -9.142 142 1HA GLY 20 1HA GLY 20 6.360 -4.052 -8.514 143 2HA GLY 20 2HA GLY 20 5.934 -3.181 -9.996 144 H TYR 21 H TYR 21 3.025 -4.109 -8.721 145 HA TYR 21 HA TYR 21 2.581 -1.270 -7.599 146 1HB TYR 21 1HB TYR 21 0.626 -2.982 -9.267 147 2HB TYR 21 2HB TYR 21 0.220 -1.470 -8.513 148 HD1 TYR 21 HD1 TYR 21 3.329 -2.379 -10.524 149 HD2 TYR 21 HD2 TYR 21 -0.255 -0.013 -10.280 150 HE1 TYR 21 HE1 TYR 21 3.962 -1.169 -12.585 151 HE2 TYR 21 HE2 TYR 21 0.399 1.173 -12.338 152 HH TYR 21 HH TYR 21 1.930 0.717 -14.351 153 H ILE 22 H ILE 22 0.934 -1.009 -5.981 154 HA ILE 22 HA ILE 22 -0.148 -3.539 -4.637 155 HB ILE 22 HB ILE 22 -0.154 -0.682 -3.523 156 1HG1 ILE 22 1HG1 ILE 22 1.924 -2.896 -3.233 157 2HG1 ILE 22 2HG1 ILE 22 2.153 -1.175 -3.385 158 1HG2 ILE 22 1HG2 ILE 22 -1.981 -2.129 -2.524 159 2HG2 ILE 22 2HG2 ILE 22 -0.787 -3.366 -2.084 160 3HG2 ILE 22 3HG2 ILE 22 -0.767 -1.760 -1.311 161 1HD1 ILE 22 1HD1 ILE 22 1.301 -0.798 -1.014 162 2HD1 ILE 22 2HD1 ILE 22 1.262 -2.566 -0.794 163 3HD1 ILE 22 3HD1 ILE 22 2.803 -1.749 -1.127 164 H ASP 23 H ASP 23 -2.253 -3.993 -4.526 165 HA ASP 23 HA ASP 23 -4.302 -2.045 -5.712 166 1HB ASP 23 1HB ASP 23 -5.479 -3.885 -6.769 167 2HB ASP 23 2HB ASP 23 -3.780 -4.047 -7.194 168 H ILE 24 H ILE 24 -6.593 -2.567 -4.973 169 HA ILE 24 HA ILE 24 -6.640 -2.040 -2.009 170 HB ILE 24 HB ILE 24 -8.283 -1.190 -4.034 171 1HG1 ILE 24 1HG1 ILE 24 -8.720 -1.263 -1.005 172 2HG1 ILE 24 2HG1 ILE 24 -8.321 0.092 -2.025 173 1HG2 ILE 24 1HG2 ILE 24 -9.461 -3.421 -4.305 174 2HG2 ILE 24 2HG2 ILE 24 -9.937 -3.392 -2.596 175 3HG2 ILE 24 3HG2 ILE 24 -10.589 -2.198 -3.747 176 1HD1 ILE 24 1HD1 ILE 24 -10.647 0.063 -3.062 177 2HD1 ILE 24 2HD1 ILE 24 -11.115 -1.177 -1.872 178 3HD1 ILE 24 3HD1 ILE 24 -10.613 0.434 -1.318 179 H GLU 25 H GLU 25 -6.987 -4.810 -4.079 180 HA GLU 25 HA GLU 25 -8.392 -6.552 -2.082 181 1HB GLU 25 1HB GLU 25 -8.738 -6.773 -4.535 182 2HB GLU 25 2HB GLU 25 -7.099 -7.307 -4.748 183 1HG GLU 25 1HG GLU 25 -8.189 -9.393 -4.743 184 2HG GLU 25 2HG GLU 25 -7.827 -9.299 -3.029 185 H GLU 26 H GLU 26 -5.056 -6.006 -3.022 186 HA GLU 26 HA GLU 26 -3.867 -8.177 -1.330 187 1HB GLU 26 1HB GLU 26 -2.656 -5.839 -2.848 188 2HB GLU 26 2HB GLU 26 -1.692 -6.775 -1.748 189 1HG GLU 26 1HG GLU 26 -1.994 -8.845 -3.129 190 2HG GLU 26 2HG GLU 26 -3.178 -8.055 -4.154 191 H LEU 27 H LEU 27 -4.795 -4.852 -0.806 192 HA LEU 27 HA LEU 27 -2.835 -4.171 1.231 193 1HB LEU 27 1HB LEU 27 -3.999 -2.531 -0.205 194 2HB LEU 27 2HB LEU 27 -5.531 -2.859 0.563 195 HG LEU 27 HG LEU 27 -4.058 -0.705 1.222 196 1HD1 LEU 27 1HD1 LEU 27 -6.338 -1.242 2.088 197 2HD1 LEU 27 2HD1 LEU 27 -5.651 -2.341 3.317 198 3HD1 LEU 27 3HD1 LEU 27 -5.306 -0.588 3.358 199 1HD2 LEU 27 1HD2 LEU 27 -3.039 -2.802 3.281 200 2HD2 LEU 27 2HD2 LEU 27 -2.042 -1.955 2.062 201 3HD2 LEU 27 3HD2 LEU 27 -2.804 -1.034 3.363 202 H GLY 28 H GLY 28 -6.371 -4.690 1.939 203 1HA GLY 28 1HA GLY 28 -6.446 -5.335 4.622 204 2HA GLY 28 2HA GLY 28 -7.257 -6.400 3.467 205 H GLU 29 H GLU 29 -5.026 -7.605 2.252 206 HA GLU 29 HA GLU 29 -4.483 -9.784 4.190 207 1HB GLU 29 1HB GLU 29 -3.692 -9.315 1.301 208 2HB GLU 29 2HB GLU 29 -2.952 -10.608 2.194 209 1HG GLU 29 1HG GLU 29 -5.717 -11.091 2.665 210 2HG GLU 29 2HG GLU 29 -5.724 -10.447 1.033 211 H ILE 30 H ILE 30 -2.608 -7.028 3.141 212 HA ILE 30 HA ILE 30 -0.070 -7.627 4.617 213 HB ILE 30 HB ILE 30 -1.340 -4.976 3.759 214 1HG1 ILE 30 1HG1 ILE 30 1.082 -4.995 2.462 215 2HG1 ILE 30 2HG1 ILE 30 0.859 -6.720 2.571 216 1HG2 ILE 30 1HG2 ILE 30 0.010 -4.553 5.846 217 2HG2 ILE 30 2HG2 ILE 30 1.424 -5.357 5.116 218 3HG2 ILE 30 3HG2 ILE 30 0.795 -3.825 4.448 219 1HD1 ILE 30 1HD1 ILE 30 -1.200 -4.887 1.171 220 2HD1 ILE 30 2HD1 ILE 30 0.013 -5.935 0.405 221 3HD1 ILE 30 3HD1 ILE 30 -1.304 -6.657 1.351 222 H LEU 31 H LEU 31 -3.009 -5.759 5.450 223 HA LEU 31 HA LEU 31 -2.278 -5.438 8.335 224 1HB LEU 31 1HB LEU 31 -5.130 -5.046 7.442 225 2HB LEU 31 2HB LEU 31 -4.177 -4.104 8.562 226 HG LEU 31 HG LEU 31 -4.407 -3.840 5.562 227 1HD1 LEU 31 1HD1 LEU 31 -4.159 -1.834 7.905 228 2HD1 LEU 31 2HD1 LEU 31 -4.371 -1.396 6.189 229 3HD1 LEU 31 3HD1 LEU 31 -5.638 -2.301 7.021 230 1HD2 LEU 31 1HD2 LEU 31 -1.837 -3.023 7.099 231 2HD2 LEU 31 2HD2 LEU 31 -1.944 -4.150 5.718 232 3HD2 LEU 31 3HD2 LEU 31 -2.284 -2.433 5.477 233 H ARG 32 H ARG 32 -3.290 -8.188 6.748 234 HA ARG 32 HA ARG 32 -4.259 -9.411 9.401 235 1HB ARG 32 1HB ARG 32 -5.948 -8.829 7.555 236 2HB ARG 32 2HB ARG 32 -5.199 -10.054 6.533 237 1HG ARG 32 1HG ARG 32 -6.468 -11.684 7.556 238 2HG ARG 32 2HG ARG 32 -5.792 -11.255 9.138 239 1HD ARG 32 1HD ARG 32 -7.935 -10.573 9.693 240 2HD ARG 32 2HD ARG 32 -7.567 -9.114 8.745 241 HE ARG 32 HE ARG 32 -9.148 -9.885 7.100 242 1HH1 ARG 32 2HH1 ARG 32 -7.936 -12.701 8.736 243 2HH1 ARG 32 1HH1 ARG 32 -8.967 -13.822 7.727 244 1HH2 ARG 32 1HH2 ARG 32 -10.290 -11.180 5.980 245 2HH2 ARG 32 2HH2 ARG 32 -10.236 -12.981 6.257 246 H ALA 33 H ALA 33 -3.178 -10.632 6.209 247 HA ALA 33 HA ALA 33 -2.998 -13.286 6.844 248 1HB ALA 33 1HB ALA 33 -2.684 -12.349 4.557 249 2HB ALA 33 2HB ALA 33 -1.024 -11.833 4.960 250 3HB ALA 33 3HB ALA 33 -1.438 -13.560 4.903 251 H THR 34 H THR 34 -1.962 -14.635 8.136 252 HA THR 34 HA THR 34 1.038 -14.529 8.494 253 HB THR 34 HB THR 34 0.861 -14.807 11.018 254 HG1 THR 34 HG1 THR 34 -1.673 -13.583 10.683 255 1HG2 THR 34 2HG2 THR 34 1.461 -12.580 9.860 256 2HG2 THR 34 3HG2 THR 34 -0.256 -12.111 9.967 257 3HG2 THR 34 1HG2 THR 34 0.684 -12.358 11.449 258 H GLY 35 H GLY 35 1.020 -16.517 7.264 259 1HA GLY 35 1HA GLY 35 1.953 -18.643 8.918 260 2HA GLY 35 2HA GLY 35 0.234 -19.014 8.748 261 1HN NH2 36 1HN NH2 36 0.740 -17.631 5.790 262 2HN NH2 36 2HN NH2 36 1.306 -19.042 4.855 263 1H ACE 37 1HH3 ACE 37 -18.443 -6.553 12.687 264 2H ACE 37 2HH3 ACE 37 -17.671 -5.336 13.761 265 3H ACE 37 3HH3 ACE 37 -18.599 -4.812 12.332 266 H VAL 38 H VAL 38 -15.795 -6.852 13.175 267 HA VAL 38 HA VAL 38 -14.061 -4.953 11.699 268 HB VAL 38 HB VAL 38 -13.218 -5.558 13.801 269 1HG1 VAL 38 1HG1 VAL 38 -13.545 -8.563 13.081 270 2HG1 VAL 38 2HG1 VAL 38 -12.730 -7.970 14.547 271 3HG1 VAL 38 3HG1 VAL 38 -14.454 -7.664 14.310 272 1HG2 VAL 38 1HG2 VAL 38 -11.348 -5.557 12.092 273 2HG2 VAL 38 2HG2 VAL 38 -11.004 -6.709 13.399 274 3HG2 VAL 38 3HG2 VAL 38 -11.586 -7.297 11.823 275 H THR 39 H THR 39 -14.008 -5.130 9.492 276 HA THR 39 HA THR 39 -13.461 -7.698 8.091 277 HB THR 39 HB THR 39 -16.017 -6.736 6.948 278 HG1 THR 39 HG1 THR 39 -16.607 -6.448 9.084 279 1HG2 THR 39 2HG2 THR 39 -15.053 -9.484 8.012 280 2HG2 THR 39 3HG2 THR 39 -16.519 -9.214 7.039 281 3HG2 THR 39 1HG2 THR 39 -14.918 -8.909 6.334 282 H GLU 40 H GLU 40 -14.212 -7.040 5.509 283 HA GLU 40 HA GLU 40 -11.779 -5.356 5.023 284 1HB GLU 40 1HB GLU 40 -11.999 -6.112 2.643 285 2HB GLU 40 2HB GLU 40 -11.718 -7.351 3.828 286 1HG GLU 40 1HG GLU 40 -13.812 -8.410 3.442 287 2HG GLU 40 2HG GLU 40 -14.639 -6.921 3.027 288 H GLU 41 H GLU 41 -15.198 -4.749 4.811 289 HA GLU 41 HA GLU 41 -15.126 -2.314 3.289 290 1HB GLU 41 1HB GLU 41 -17.267 -1.815 4.079 291 2HB GLU 41 2HB GLU 41 -17.175 -3.547 3.979 292 1HG GLU 41 1HG GLU 41 -16.733 -3.484 6.621 293 2HG GLU 41 2HG GLU 41 -17.287 -1.822 6.537 294 H ASP 42 H ASP 42 -14.348 -2.694 6.712 295 HA ASP 42 HA ASP 42 -13.710 0.146 7.344 296 1HB ASP 42 1HB ASP 42 -12.888 -2.551 8.579 297 2HB ASP 42 2HB ASP 42 -12.265 -1.027 9.194 298 H ILE 43 H ILE 43 -11.663 -2.580 6.275 299 HA ILE 43 HA ILE 43 -9.179 -1.069 5.729 300 HB ILE 43 HB ILE 43 -10.259 -3.673 4.562 301 1HG1 ILE 43 1HG1 ILE 43 -7.779 -4.321 5.595 302 2HG1 ILE 43 2HG1 ILE 43 -8.147 -2.971 6.634 303 1HG2 ILE 43 1HG2 ILE 43 -8.951 -2.605 2.684 304 2HG2 ILE 43 2HG2 ILE 43 -7.567 -2.339 3.763 305 3HG2 ILE 43 3HG2 ILE 43 -8.065 -3.988 3.310 306 1HD1 ILE 43 1HD1 ILE 43 -10.329 -4.026 7.364 307 2HD1 ILE 43 2HD1 ILE 43 -9.910 -5.488 6.433 308 3HD1 ILE 43 3HD1 ILE 43 -8.885 -4.973 7.790 309 H GLU 44 H GLU 44 -12.170 -1.442 3.887 310 HA GLU 44 HA GLU 44 -11.133 -0.303 1.316 311 1HB GLU 44 1HB GLU 44 -13.697 -1.444 2.272 312 2HB GLU 44 2HB GLU 44 -13.918 -0.113 1.178 313 1HG GLU 44 1HG GLU 44 -11.932 -1.848 -0.076 314 2HG GLU 44 2HG GLU 44 -13.183 -2.902 0.556 315 H ASP 45 H ASP 45 -12.724 0.984 4.167 316 HA ASP 45 HA ASP 45 -13.161 3.745 3.062 317 1HB ASP 45 1HB ASP 45 -13.537 2.441 5.816 318 2HB ASP 45 2HB ASP 45 -13.680 4.183 5.626 319 H LEU 46 H LEU 46 -10.652 2.146 4.936 320 HA LEU 46 HA LEU 46 -9.040 4.590 5.503 321 1HB LEU 46 1HB LEU 46 -8.990 2.467 6.825 322 2HB LEU 46 2HB LEU 46 -8.233 1.620 5.498 323 HG LEU 46 HG LEU 46 -6.756 4.072 6.543 324 1HD1 LEU 46 1HD1 LEU 46 -7.544 2.910 8.654 325 2HD1 LEU 46 2HD1 LEU 46 -6.785 1.402 8.067 326 3HD1 LEU 46 3HD1 LEU 46 -5.772 2.806 8.433 327 1HD2 LEU 46 1HD2 LEU 46 -6.038 2.250 4.658 328 2HD2 LEU 46 2HD2 LEU 46 -4.818 2.981 5.742 329 3HD2 LEU 46 3HD2 LEU 46 -5.475 1.349 6.068 330 H MET 47 H MET 47 -8.318 2.016 3.069 331 HA MET 47 HA MET 47 -6.470 3.484 1.472 332 1HB MET 47 1HB MET 47 -7.763 1.033 1.237 333 2HB MET 47 2HB MET 47 -8.468 1.905 -0.114 334 1HG MET 47 1HG MET 47 -5.418 1.957 0.183 335 2HG MET 47 2HG MET 47 -6.226 0.535 -0.503 336 1HE MET 47 1HE MET 47 -4.370 1.398 -2.355 337 2HE MET 47 2HE MET 47 -5.747 0.406 -2.915 338 3HE MET 47 3HE MET 47 -5.241 1.831 -3.867 339 H LYS 48 H LYS 48 -10.006 3.821 1.465 340 HA LYS 48 HA LYS 48 -10.044 5.877 -0.712 341 1HB LYS 48 1HB LYS 48 -12.173 4.807 1.216 342 2HB LYS 48 2HB LYS 48 -12.565 5.973 -0.011 343 1HG LYS 48 1HG LYS 48 -11.279 3.223 -0.712 344 2HG LYS 48 2HG LYS 48 -12.982 3.363 -0.407 345 1HD LYS 48 1HD LYS 48 -12.363 5.459 -2.311 346 2HD LYS 48 2HD LYS 48 -11.579 4.042 -2.925 347 1HE LYS 48 1HE LYS 48 -13.930 2.809 -2.645 348 2HE LYS 48 2HE LYS 48 -14.594 4.388 -2.265 349 1HZ LYS 48 1HZ LYS 48 -13.201 4.977 -4.556 350 2HZ LYS 48 2HZ LYS 48 -13.595 3.489 -4.933 351 3HZ LYS 48 3HZ LYS 48 -14.786 4.589 -4.592 352 H ASP 49 H ASP 49 -9.874 5.929 2.773 353 HA ASP 49 HA ASP 49 -10.347 8.894 3.110 354 1HB ASP 49 1HB ASP 49 -10.778 7.245 4.979 355 2HB ASP 49 2HB ASP 49 -9.060 6.883 5.068 356 H SER 50 H SER 50 -7.440 6.800 2.897 357 HA SER 50 HA SER 50 -5.553 9.125 3.359 358 1HB SER 50 1HB SER 50 -5.327 6.533 4.118 359 2HB SER 50 2HB SER 50 -4.613 6.333 2.521 360 HG SER 50 HG SER 50 -3.542 8.531 3.531 361 H ASP 51 H ASP 51 -6.458 6.967 0.597 362 HA ASP 51 HA ASP 51 -5.134 8.618 -1.422 363 1HB ASP 51 1HB ASP 51 -6.152 6.166 -1.513 364 2HB ASP 51 2HB ASP 51 -7.654 6.953 -1.978 365 H LYS 52 H LYS 52 -6.481 9.718 -3.253 366 HA LYS 52 HA LYS 52 -8.497 11.665 -2.163 367 1HB LYS 52 1HB LYS 52 -6.181 13.130 -3.318 368 2HB LYS 52 2HB LYS 52 -7.200 13.589 -1.989 369 1HG LYS 52 1HG LYS 52 -5.285 13.191 -0.692 370 2HG LYS 52 2HG LYS 52 -5.765 11.526 -0.777 371 1HD LYS 52 1HD LYS 52 -3.710 11.081 -1.581 372 2HD LYS 52 2HD LYS 52 -4.311 11.553 -3.136 373 1HE LYS 52 1HE LYS 52 -3.107 13.742 -1.300 374 2HE LYS 52 2HE LYS 52 -2.013 12.570 -2.032 375 1HZ LYS 52 1HZ LYS 52 -3.346 13.228 -4.293 376 2HZ LYS 52 2HZ LYS 52 -3.723 14.578 -3.457 377 3HZ LYS 52 3HZ LYS 52 -2.193 14.278 -3.737 378 H ASN 53 H ASN 53 -6.147 11.592 -4.874 379 HA ASN 53 HA ASN 53 -8.026 12.500 -6.880 380 1HB ASN 53 1HB ASN 53 -6.178 11.890 -8.534 381 2HB ASN 53 2HB ASN 53 -5.638 12.857 -7.189 382 1HD2 ASN 53 1HD2 ASN 53 -3.082 10.263 -7.521 383 2HD2 ASN 53 2HD2 ASN 53 -3.664 11.761 -8.377 384 H ASN 54 H ASN 54 -8.249 9.536 -5.480 385 HA ASN 54 HA ASN 54 -9.162 7.390 -6.050 386 1HB ASN 54 1HB ASN 54 -10.492 9.301 -8.083 387 2HB ASN 54 2HB ASN 54 -10.921 7.615 -8.015 388 1HD2 ASN 54 1HD2 ASN 54 -11.858 9.026 -4.385 389 2HD2 ASN 54 2HD2 ASN 54 -10.123 8.804 -4.896 390 H ASP 55 H ASP 55 -6.550 7.811 -7.130 391 HA ASP 55 HA ASP 55 -6.453 5.885 -9.462 392 1HB ASP 55 1HB ASP 55 -4.618 7.670 -8.624 393 2HB ASP 55 2HB ASP 55 -4.106 6.366 -7.563 394 H GLY 56 H GLY 56 -8.063 4.439 -8.528 395 1HA GLY 56 1HA GLY 56 -7.992 3.071 -5.916 396 2HA GLY 56 2HA GLY 56 -8.837 2.484 -7.354 397 H ARG 57 H ARG 57 -5.928 2.573 -8.666 398 HA ARG 57 HA ARG 57 -4.615 0.336 -7.018 399 1HB ARG 57 1HB ARG 57 -3.363 0.479 -9.617 400 2HB ARG 57 2HB ARG 57 -4.251 -0.857 -8.886 401 1HG ARG 57 1HG ARG 57 -5.687 1.493 -10.306 402 2HG ARG 57 2HG ARG 57 -5.089 0.100 -11.204 403 1HD ARG 57 1HD ARG 57 -6.542 -1.434 -9.728 404 2HD ARG 57 2HD ARG 57 -7.126 -0.005 -8.877 405 HE ARG 57 HE ARG 57 -7.903 0.981 -11.181 406 1HH1 ARG 57 2HH1 ARG 57 -7.683 -2.462 -10.852 407 2HH1 ARG 57 1HH1 ARG 57 -8.919 -2.718 -12.192 408 1HH2 ARG 57 1HH2 ARG 57 -9.288 0.664 -12.576 409 2HH2 ARG 57 2HH2 ARG 57 -9.776 -1.011 -13.136 410 H ILE 58 H ILE 58 -2.620 0.583 -6.277 411 HA ILE 58 HA ILE 58 -1.441 3.383 -6.355 412 HB ILE 58 HB ILE 58 -1.384 1.195 -4.222 413 1HG1 ILE 58 1HG1 ILE 58 -2.570 4.053 -4.221 414 2HG1 ILE 58 2HG1 ILE 58 -3.475 2.565 -4.272 415 1HG2 ILE 58 1HG2 ILE 58 0.891 2.308 -4.200 416 2HG2 ILE 58 2HG2 ILE 58 0.128 3.906 -4.076 417 3HG2 ILE 58 3HG2 ILE 58 -0.015 2.727 -2.751 418 1HD1 ILE 58 1HD1 ILE 58 -2.650 1.892 -1.970 419 2HD1 ILE 58 2HD1 ILE 58 -1.826 3.467 -1.834 420 3HD1 ILE 58 3HD1 ILE 58 -3.595 3.402 -1.990 421 H ASP 59 H ASP 59 0.488 3.748 -7.335 422 HA ASP 59 HA ASP 59 2.601 1.584 -7.409 423 1HB ASP 59 1HB ASP 59 3.731 3.009 -9.053 424 2HB ASP 59 2HB ASP 59 2.026 2.897 -9.465 425 H PHE 60 H PHE 60 4.972 2.674 -7.197 426 HA PHE 60 HA PHE 60 5.337 2.579 -4.261 427 1HB PHE 60 1HB PHE 60 6.906 1.651 -6.075 428 2HB PHE 60 2HB PHE 60 7.425 3.268 -6.413 429 HD1 PHE 60 HD1 PHE 60 7.746 4.405 -3.554 430 HD2 PHE 60 HD2 PHE 60 8.815 0.585 -5.201 431 HE1 PHE 60 HE1 PHE 60 9.560 4.186 -1.894 432 HE2 PHE 60 HE2 PHE 60 10.637 0.388 -3.568 433 HZ PHE 60 HZ PHE 60 11.051 2.205 -1.940 434 H ASP 61 H ASP 61 5.016 5.242 -6.449 435 HA ASP 61 HA ASP 61 5.980 7.554 -4.879 436 1HB ASP 61 1HB ASP 61 5.180 8.185 -7.024 437 2HB ASP 61 2HB ASP 61 3.898 6.989 -7.040 438 H GLU 62 H GLU 62 2.627 6.817 -5.307 439 HA GLU 62 HA GLU 62 1.209 7.588 -2.968 440 1HB GLU 62 1HB GLU 62 0.840 4.970 -4.491 441 2HB GLU 62 2HB GLU 62 -0.297 5.592 -3.333 442 1HG GLU 62 1HG GLU 62 0.388 7.489 -5.619 443 2HG GLU 62 2HG GLU 62 -0.478 6.033 -6.071 444 H PHE 63 H PHE 63 3.518 4.900 -3.060 445 HA PHE 63 HA PHE 63 2.771 3.666 -0.416 446 1HB PHE 63 1HB PHE 63 4.057 2.525 -2.325 447 2HB PHE 63 2HB PHE 63 5.428 3.516 -1.964 448 HD1 PHE 63 HD1 PHE 63 3.496 0.615 -0.568 449 HD2 PHE 63 HD2 PHE 63 6.969 3.128 -0.190 450 HE1 PHE 63 HE1 PHE 63 4.446 -0.919 1.110 451 HE2 PHE 63 HE2 PHE 63 7.909 1.576 1.444 452 HZ PHE 63 HZ PHE 63 6.639 -0.427 2.139 453 H LEU 64 H LEU 64 5.495 5.740 -1.438 454 HA LEU 64 HA LEU 64 6.620 6.461 1.078 455 1HB LEU 64 1HB LEU 64 6.391 8.076 -1.508 456 2HB LEU 64 2HB LEU 64 7.262 8.712 -0.136 457 HG LEU 64 HG LEU 64 7.983 5.975 -1.333 458 1HD1 LEU 64 1HD1 LEU 64 8.994 8.760 -2.236 459 2HD1 LEU 64 2HD1 LEU 64 9.756 7.208 -2.675 460 3HD1 LEU 64 3HD1 LEU 64 8.103 7.548 -3.195 461 1HD2 LEU 64 1HD2 LEU 64 9.605 8.017 0.358 462 2HD2 LEU 64 2HD2 LEU 64 9.050 6.398 0.873 463 3HD2 LEU 64 3HD2 LEU 64 10.282 6.547 -0.387 464 H LYS 65 H LYS 65 3.755 7.989 -0.374 465 HA LYS 65 HA LYS 65 3.460 9.926 1.929 466 1HB LYS 65 1HB LYS 65 1.758 10.889 0.430 467 2HB LYS 65 2HB LYS 65 3.286 10.666 -0.401 468 1HG LYS 65 1HG LYS 65 2.229 8.573 -1.529 469 2HG LYS 65 2HG LYS 65 0.716 8.959 -0.686 470 1HD LYS 65 1HD LYS 65 0.718 9.901 -2.990 471 2HD LYS 65 2HD LYS 65 0.524 11.170 -1.777 472 1HE LYS 65 1HE LYS 65 3.370 10.616 -2.765 473 2HE LYS 65 2HE LYS 65 2.234 11.235 -3.978 474 1HZ LYS 65 1HZ LYS 65 1.617 13.055 -2.199 475 2HZ LYS 65 2HZ LYS 65 2.981 12.629 -1.377 476 3HZ LYS 65 3HZ LYS 65 3.057 13.218 -2.895 477 H MET 66 H MET 66 1.372 7.278 0.541 478 HA MET 66 HA MET 66 -0.429 6.866 2.655 479 1HB MET 66 1HB MET 66 -0.159 5.541 0.453 480 2HB MET 66 2HB MET 66 1.058 4.569 1.254 481 1HG MET 66 1HG MET 66 -0.566 3.703 2.924 482 2HG MET 66 2HG MET 66 -1.851 4.745 2.282 483 1HE MET 66 1HE MET 66 0.426 1.640 1.803 484 2HE MET 66 2HE MET 66 0.188 1.200 0.086 485 3HE MET 66 3HE MET 66 1.062 2.704 0.509 486 H MET 67 H MET 67 2.984 5.828 2.765 487 HA MET 67 HA MET 67 2.933 4.815 5.565 488 1HB MET 67 1HB MET 67 5.120 5.636 3.594 489 2HB MET 67 2HB MET 67 5.533 5.554 5.295 490 1HG MET 67 1HG MET 67 4.398 3.108 5.201 491 2HG MET 67 2HG MET 67 4.738 3.243 3.464 492 1HE MET 67 1HE MET 67 5.575 1.230 5.415 493 2HE MET 67 2HE MET 67 6.860 0.891 4.214 494 3HE MET 67 3HE MET 67 7.293 1.170 5.928 495 H GLU 68 H GLU 68 4.393 7.842 4.297 496 HA GLU 68 HA GLU 68 3.637 9.311 6.823 497 1HB GLU 68 1HB GLU 68 6.144 10.218 6.848 498 2HB GLU 68 2HB GLU 68 5.602 8.861 7.786 499 1HG GLU 68 1HG GLU 68 6.483 7.411 5.644 500 2HG GLU 68 2HG GLU 68 7.420 8.857 5.311 501 H GLY 69 H GLY 69 2.392 9.815 4.567 502 1HA GLY 69 1HA GLY 69 3.288 12.639 3.739 503 2HA GLY 69 2HA GLY 69 1.905 11.793 3.035 504 H VAL 70 H VAL 70 2.145 11.560 6.480 505 HA VAL 70 HA VAL 70 0.124 13.743 7.071 506 HB VAL 70 HB VAL 70 0.601 11.450 8.407 507 1HG1 VAL 70 1HG1 VAL 70 2.359 13.495 9.942 508 2HG1 VAL 70 2HG1 VAL 70 1.818 11.925 10.588 509 3HG1 VAL 70 3HG1 VAL 70 2.915 11.973 9.206 510 1HG2 VAL 70 1HG2 VAL 70 -1.303 13.038 8.900 511 2HG2 VAL 70 2HG2 VAL 70 -0.600 12.415 10.385 512 3HG2 VAL 70 3HG2 VAL 70 -0.222 14.080 9.851 513 H GLN 71 H GLN 71 0.692 15.776 8.031 514 HA GLN 71 HA GLN 71 2.935 16.931 6.442 515 1HB GLN 71 1HB GLN 71 1.397 18.572 8.473 516 2HB GLN 71 2HB GLN 71 1.970 19.011 6.865 517 1HG GLN 71 1HG GLN 71 -0.486 17.314 7.634 518 2HG GLN 71 2HG GLN 71 -0.485 18.814 6.726 519 1HE2 GLN 71 1HE2 GLN 71 -1.115 16.252 4.212 520 2HE2 GLN 71 2HE2 GLN 71 -1.939 17.199 5.570 521 1HN NH2 72 1HN NH2 72 5.040 16.513 7.114 522 2HN NH2 72 2HN NH2 72 5.662 16.874 8.746 No H/Q in entry = 522 Start of MODEL 2 1 1H ACE 1 1HH3 ACE 1 17.910 12.361 -2.166 2 2H ACE 1 2HH3 ACE 1 18.733 12.762 -0.617 3 3H ACE 1 3HH3 ACE 1 19.682 12.274 -2.050 4 H LYS 2 H LYS 2 16.949 10.974 -0.143 5 HA LYS 2 HA LYS 2 18.711 8.939 1.003 6 1HB LYS 2 1HB LYS 2 17.140 9.835 2.486 7 2HB LYS 2 2HB LYS 2 15.769 9.671 1.411 8 1HG LYS 2 1HG LYS 2 15.518 7.284 1.977 9 2HG LYS 2 2HG LYS 2 17.190 7.134 2.455 10 1HD LYS 2 1HD LYS 2 16.338 8.973 4.368 11 2HD LYS 2 2HD LYS 2 14.809 8.148 4.059 12 1HE LYS 2 1HE LYS 2 15.595 6.019 4.752 13 2HE LYS 2 2HE LYS 2 17.308 6.390 4.482 14 1HZ LYS 2 1HZ LYS 2 15.681 7.919 6.529 15 2HZ LYS 2 2HZ LYS 2 16.297 6.556 6.990 16 3HZ LYS 2 3HZ LYS 2 17.295 7.809 6.545 17 H SER 3 H SER 3 18.741 6.724 0.836 18 HA SER 3 HA SER 3 18.481 5.443 -1.791 19 1HB SER 3 1HB SER 3 19.891 4.865 0.351 20 2HB SER 3 2HB SER 3 18.504 3.948 0.889 21 HG SER 3 HG SER 3 19.792 3.654 -1.662 22 H GLU 4 H GLU 4 16.878 4.577 -2.843 23 HA GLU 4 HA GLU 4 14.214 3.945 -1.484 24 1HB GLU 4 1HB GLU 4 14.777 4.651 -4.346 25 2HB GLU 4 2HB GLU 4 13.533 3.479 -3.982 26 1HG GLU 4 1HG GLU 4 12.097 5.294 -3.864 27 2HG GLU 4 2HG GLU 4 12.793 5.632 -2.283 28 H GLU 5 H GLU 5 16.992 2.445 -1.757 29 HA GLU 5 HA GLU 5 16.527 0.164 -3.438 30 1HB GLU 5 1HB GLU 5 18.733 0.496 -3.233 31 2HB GLU 5 2HB GLU 5 18.660 1.048 -1.587 32 1HG GLU 5 1HG GLU 5 19.800 -0.918 -1.119 33 2HG GLU 5 2HG GLU 5 18.224 -1.687 -1.165 34 H GLU 6 H GLU 6 16.360 0.145 0.137 35 HA GLU 6 HA GLU 6 15.414 -2.598 0.326 36 1HB GLU 6 1HB GLU 6 15.681 -2.409 2.537 37 2HB GLU 6 2HB GLU 6 16.589 -1.001 2.076 38 1HG GLU 6 1HG GLU 6 14.522 0.461 2.643 39 2HG GLU 6 2HG GLU 6 13.695 -0.981 3.201 40 H LEU 7 H LEU 7 13.515 0.400 0.531 41 HA LEU 7 HA LEU 7 10.797 -0.862 0.689 42 1HB LEU 7 1HB LEU 7 11.744 1.924 -0.170 43 2HB LEU 7 2HB LEU 7 10.061 1.457 -0.191 44 HG LEU 7 HG LEU 7 11.400 2.668 1.945 45 1HD1 LEU 7 1HD1 LEU 7 8.958 2.761 1.477 46 2HD1 LEU 7 2HD1 LEU 7 8.749 1.071 2.005 47 3HD1 LEU 7 3HD1 LEU 7 9.243 2.328 3.169 48 1HD2 LEU 7 1HD2 LEU 7 10.957 -0.319 2.691 49 2HD2 LEU 7 2HD2 LEU 7 12.507 0.568 2.706 50 3HD2 LEU 7 3HD2 LEU 7 11.241 1.000 3.858 51 H ALA 8 H ALA 8 12.920 0.133 -2.016 52 HA ALA 8 HA ALA 8 11.309 -0.633 -4.230 53 1HB ALA 8 1HB ALA 8 14.365 -0.938 -3.852 54 2HB ALA 8 2HB ALA 8 13.521 -0.962 -5.413 55 3HB ALA 8 3HB ALA 8 13.496 0.504 -4.426 56 H ASN 9 H ASN 9 13.908 -3.001 -3.367 57 HA ASN 9 HA ASN 9 12.858 -5.469 -3.854 58 1HB ASN 9 1HB ASN 9 13.903 -4.831 -1.010 59 2HB ASN 9 2HB ASN 9 13.960 -6.372 -1.818 60 1HD2 ASN 9 1HD2 ASN 9 16.650 -5.041 -4.042 61 2HD2 ASN 9 2HD2 ASN 9 14.998 -5.760 -4.303 62 H ALA 10 H ALA 10 11.812 -3.882 -0.802 63 HA ALA 10 HA ALA 10 9.852 -5.916 0.034 64 1HB ALA 10 1HB ALA 10 10.941 -4.239 1.539 65 2HB ALA 10 2HB ALA 10 10.053 -2.909 0.751 66 3HB ALA 10 3HB ALA 10 9.173 -4.151 1.668 67 H PHE 11 H PHE 11 9.431 -2.984 -1.968 68 HA PHE 11 HA PHE 11 6.533 -3.192 -2.321 69 1HB PHE 11 1HB PHE 11 7.897 -1.130 -2.694 70 2HB PHE 11 2HB PHE 11 8.659 -1.847 -4.073 71 HD1 PHE 11 HD1 PHE 11 4.932 -1.963 -3.335 72 HD2 PHE 11 HD2 PHE 11 8.051 -0.452 -5.884 73 HE1 PHE 11 HE1 PHE 11 3.251 -0.851 -4.754 74 HE2 PHE 11 HE2 PHE 11 6.358 0.660 -7.281 75 HZ PHE 11 HZ PHE 11 3.971 0.515 -6.690 76 H ARG 12 H ARG 12 9.132 -4.313 -4.532 77 HA ARG 12 HA ARG 12 7.327 -5.808 -6.284 78 1HB ARG 12 1HB ARG 12 9.298 -6.694 -7.370 79 2HB ARG 12 2HB ARG 12 9.584 -5.001 -6.984 80 1HG ARG 12 1HG ARG 12 11.174 -5.514 -5.259 81 2HG ARG 12 2HG ARG 12 10.545 -7.146 -4.998 82 1HD ARG 12 1HD ARG 12 11.349 -7.539 -7.561 83 2HD ARG 12 2HD ARG 12 12.403 -6.139 -7.215 84 HE ARG 12 HE ARG 12 12.391 -8.337 -5.114 85 1HH1 ARG 12 2HH1 ARG 12 14.087 -6.933 -7.790 86 2HH1 ARG 12 1HH1 ARG 12 15.645 -7.787 -7.356 87 1HH2 ARG 12 1HH2 ARG 12 14.142 -9.272 -4.638 88 2HH2 ARG 12 2HH2 ARG 12 15.655 -9.056 -5.635 89 H ILE 13 H ILE 13 8.901 -6.739 -3.293 90 HA ILE 13 HA ILE 13 8.468 -9.693 -3.465 91 HB ILE 13 HB ILE 13 9.077 -7.835 -1.110 92 1HG1 ILE 13 1HG1 ILE 13 10.956 -8.492 -2.860 93 2HG1 ILE 13 2HG1 ILE 13 11.309 -8.552 -1.154 94 1HG2 ILE 13 1HG2 ILE 13 7.726 -9.764 -0.196 95 2HG2 ILE 13 2HG2 ILE 13 8.808 -10.931 -0.992 96 3HG2 ILE 13 3HG2 ILE 13 9.392 -9.906 0.334 97 1HD1 ILE 13 1HD1 ILE 13 10.964 -11.043 -1.067 98 2HD1 ILE 13 2HD1 ILE 13 10.661 -11.057 -2.822 99 3HD1 ILE 13 3HD1 ILE 13 12.247 -10.560 -2.199 100 H PHE 14 H PHE 14 6.602 -6.930 -2.322 101 HA PHE 14 HA PHE 14 4.337 -8.418 -1.009 102 1HB PHE 14 1HB PHE 14 4.584 -5.548 -2.127 103 2HB PHE 14 2HB PHE 14 3.123 -6.159 -1.424 104 HD1 PHE 14 HD1 PHE 14 5.085 -7.847 0.701 105 HD2 PHE 14 HD2 PHE 14 4.369 -3.734 -0.310 106 HE1 PHE 14 HE1 PHE 14 5.795 -7.163 2.958 107 HE2 PHE 14 HE2 PHE 14 5.101 -3.055 1.941 108 HZ PHE 14 HZ PHE 14 5.842 -4.759 3.569 109 H ASP 15 H ASP 15 4.248 -6.438 -4.016 110 HA ASP 15 HA ASP 15 2.178 -7.920 -5.343 111 1HB ASP 15 1HB ASP 15 2.838 -5.613 -5.930 112 2HB ASP 15 2HB ASP 15 4.410 -6.140 -6.509 113 H LYS 16 H LYS 16 2.243 -10.124 -5.703 114 HA LYS 16 HA LYS 16 4.907 -11.496 -5.542 115 1HB LYS 16 1HB LYS 16 2.073 -12.292 -5.139 116 2HB LYS 16 2HB LYS 16 2.926 -13.491 -6.071 117 1HG LYS 16 1HG LYS 16 4.073 -12.432 -3.400 118 2HG LYS 16 2HG LYS 16 2.764 -13.607 -3.401 119 1HD LYS 16 1HD LYS 16 5.504 -14.040 -4.767 120 2HD LYS 16 2HD LYS 16 5.067 -14.606 -3.156 121 1HE LYS 16 1HE LYS 16 3.284 -15.523 -5.439 122 2HE LYS 16 2HE LYS 16 4.872 -16.296 -5.259 123 1HZ LYS 16 1HZ LYS 16 3.216 -15.890 -2.768 124 2HZ LYS 16 2HZ LYS 16 2.754 -17.071 -3.790 125 3HZ LYS 16 3HZ LYS 16 4.240 -17.146 -3.092 126 H ASN 17 H ASN 17 2.418 -10.865 -7.990 127 HA ASN 17 HA ASN 17 3.836 -12.266 -10.156 128 1HB ASN 17 1HB ASN 17 1.478 -10.312 -10.142 129 2HB ASN 17 2HB ASN 17 2.114 -10.949 -11.634 130 1HD2 ASN 17 1HD2 ASN 17 -0.734 -13.063 -10.825 131 2HD2 ASN 17 2HD2 ASN 17 -0.517 -11.294 -11.027 132 H ALA 18 H ALA 18 3.426 -8.749 -9.558 133 HA ALA 18 HA ALA 18 5.140 -7.062 -9.517 134 1HB ALA 18 1HB ALA 18 6.501 -9.023 -8.696 135 2HB ALA 18 2HB ALA 18 6.913 -9.432 -10.376 136 3HB ALA 18 3HB ALA 18 7.487 -7.907 -9.681 137 H ASP 19 H ASP 19 3.674 -6.596 -11.633 138 HA ASP 19 HA ASP 19 5.520 -5.876 -13.929 139 1HB ASP 19 1HB ASP 19 2.802 -4.566 -13.665 140 2HB ASP 19 2HB ASP 19 3.606 -5.215 -15.087 141 H GLY 20 H GLY 20 4.473 -4.487 -10.911 142 1HA GLY 20 1HA GLY 20 6.382 -2.411 -10.451 143 2HA GLY 20 2HA GLY 20 5.267 -1.676 -11.612 144 H TYR 21 H TYR 21 3.053 -3.380 -10.199 145 HA TYR 21 HA TYR 21 2.268 -0.885 -8.583 146 1HB TYR 21 1HB TYR 21 0.472 -2.702 -10.317 147 2HB TYR 21 2HB TYR 21 -0.064 -1.308 -9.425 148 HD1 TYR 21 HD1 TYR 21 2.821 -1.909 -11.819 149 HD2 TYR 21 HD2 TYR 21 -0.576 0.532 -10.818 150 HE1 TYR 21 HE1 TYR 21 3.308 -0.432 -13.729 151 HE2 TYR 21 HE2 TYR 21 -0.077 1.983 -12.757 152 HH TYR 21 HH TYR 21 1.299 1.347 -15.188 153 H ILE 22 H ILE 22 0.957 -1.046 -6.755 154 HA ILE 22 HA ILE 22 -0.016 -3.816 -5.854 155 HB ILE 22 HB ILE 22 -0.243 -1.310 -4.132 156 1HG1 ILE 22 1HG1 ILE 22 2.298 -2.795 -4.712 157 2HG1 ILE 22 2HG1 ILE 22 2.060 -1.196 -4.060 158 1HG2 ILE 22 1HG2 ILE 22 -1.584 -3.333 -3.397 159 2HG2 ILE 22 2HG2 ILE 22 -0.111 -4.322 -3.367 160 3HG2 ILE 22 3HG2 ILE 22 -0.331 -2.975 -2.221 161 1HD1 ILE 22 1HD1 ILE 22 1.519 -2.154 -1.762 162 2HD1 ILE 22 2HD1 ILE 22 1.960 -3.767 -2.380 163 3HD1 ILE 22 3HD1 ILE 22 3.176 -2.473 -2.334 164 H ASP 23 H ASP 23 -2.194 -4.241 -5.635 165 HA ASP 23 HA ASP 23 -4.201 -2.097 -6.466 166 1HB ASP 23 1HB ASP 23 -5.672 -4.306 -6.788 167 2HB ASP 23 2HB ASP 23 -4.464 -3.851 -7.981 168 H ILE 24 H ILE 24 -6.456 -2.464 -5.534 169 HA ILE 24 HA ILE 24 -6.376 -1.945 -2.568 170 HB ILE 24 HB ILE 24 -8.060 -0.989 -4.434 171 1HG1 ILE 24 1HG1 ILE 24 -8.515 -1.390 -1.441 172 2HG1 ILE 24 2HG1 ILE 24 -8.207 0.080 -2.325 173 1HG2 ILE 24 1HG2 ILE 24 -9.178 -3.200 -4.983 174 2HG2 ILE 24 2HG2 ILE 24 -9.691 -3.375 -3.293 175 3HG2 ILE 24 3HG2 ILE 24 -10.347 -2.073 -4.317 176 1HD1 ILE 24 1HD1 ILE 24 -10.536 0.010 -3.352 177 2HD1 ILE 24 2HD1 ILE 24 -10.918 -1.366 -2.288 178 3HD1 ILE 24 3HD1 ILE 24 -10.509 0.211 -1.580 179 H GLU 25 H GLU 25 -6.813 -4.705 -4.635 180 HA GLU 25 HA GLU 25 -8.113 -6.479 -2.596 181 1HB GLU 25 1HB GLU 25 -7.021 -6.969 -5.385 182 2HB GLU 25 2HB GLU 25 -7.426 -8.311 -4.359 183 1HG GLU 25 1HG GLU 25 -9.454 -8.105 -5.530 184 2HG GLU 25 2HG GLU 25 -9.850 -7.060 -4.177 185 H GLU 26 H GLU 26 -4.820 -5.842 -3.629 186 HA GLU 26 HA GLU 26 -3.597 -7.944 -1.870 187 1HB GLU 26 1HB GLU 26 -2.385 -5.788 -3.640 188 2HB GLU 26 2HB GLU 26 -1.395 -6.726 -2.564 189 1HG GLU 26 1HG GLU 26 -1.816 -8.810 -3.804 190 2HG GLU 26 2HG GLU 26 -3.178 -8.127 -4.672 191 H LEU 27 H LEU 27 -4.363 -4.566 -1.525 192 HA LEU 27 HA LEU 27 -2.382 -3.766 0.422 193 1HB LEU 27 1HB LEU 27 -3.687 -2.199 -0.957 194 2HB LEU 27 2HB LEU 27 -5.172 -2.614 -0.140 195 HG LEU 27 HG LEU 27 -2.973 -1.538 1.651 196 1HD1 LEU 27 1HD1 LEU 27 -2.718 -0.104 -0.376 197 2HD1 LEU 27 2HD1 LEU 27 -4.456 0.308 -0.348 198 3HD1 LEU 27 3HD1 LEU 27 -3.371 0.813 0.980 199 1HD2 LEU 27 1HD2 LEU 27 -6.008 -0.885 1.443 200 2HD2 LEU 27 2HD2 LEU 27 -5.253 -2.023 2.600 201 3HD2 LEU 27 3HD2 LEU 27 -4.880 -0.298 2.697 202 H GLY 28 H GLY 28 -5.754 -4.739 1.132 203 1HA GLY 28 1HA GLY 28 -5.529 -4.625 4.039 204 2HA GLY 28 2HA GLY 28 -6.810 -5.479 3.170 205 H GLU 29 H GLU 29 -5.067 -7.398 1.869 206 HA GLU 29 HA GLU 29 -4.925 -9.494 4.001 207 1HB GLU 29 1HB GLU 29 -4.408 -9.489 1.018 208 2HB GLU 29 2HB GLU 29 -3.827 -10.819 1.973 209 1HG GLU 29 1HG GLU 29 -6.185 -11.390 2.693 210 2HG GLU 29 2HG GLU 29 -6.815 -9.978 1.865 211 H ILE 30 H ILE 30 -2.539 -7.564 2.249 212 HA ILE 30 HA ILE 30 -0.061 -8.563 3.570 213 HB ILE 30 HB ILE 30 -0.783 -5.929 2.217 214 1HG1 ILE 30 1HG1 ILE 30 -0.176 -7.667 0.600 215 2HG1 ILE 30 2HG1 ILE 30 1.114 -6.496 0.662 216 1HG2 ILE 30 1HG2 ILE 30 0.716 -5.283 4.139 217 2HG2 ILE 30 2HG2 ILE 30 1.921 -6.495 3.632 218 3HG2 ILE 30 3HG2 ILE 30 1.558 -5.078 2.607 219 1HD1 ILE 30 1HD1 ILE 30 1.326 -9.246 2.062 220 2HD1 ILE 30 2HD1 ILE 30 2.077 -8.751 0.530 221 3HD1 ILE 30 3HD1 ILE 30 2.565 -7.964 2.045 222 H LEU 31 H LEU 31 -2.112 -5.710 4.325 223 HA LEU 31 HA LEU 31 -0.471 -4.992 6.706 224 1HB LEU 31 1HB LEU 31 -1.889 -3.103 6.992 225 2HB LEU 31 2HB LEU 31 -1.643 -3.294 5.273 226 HG LEU 31 HG LEU 31 -4.016 -4.639 5.436 227 1HD1 LEU 31 1HD1 LEU 31 -4.098 -2.658 7.811 228 2HD1 LEU 31 2HD1 LEU 31 -5.517 -3.455 7.082 229 3HD1 LEU 31 3HD1 LEU 31 -4.273 -4.434 7.866 230 1HD2 LEU 31 1HD2 LEU 31 -3.713 -1.551 5.346 231 2HD2 LEU 31 2HD2 LEU 31 -3.708 -2.666 3.952 232 3HD2 LEU 31 3HD2 LEU 31 -5.188 -2.443 4.890 233 H ARG 32 H ARG 32 -3.259 -7.010 6.311 234 HA ARG 32 HA ARG 32 -3.859 -7.068 9.287 235 1HB ARG 32 1HB ARG 32 -5.471 -6.681 7.280 236 2HB ARG 32 2HB ARG 32 -5.354 -8.408 6.948 237 1HG ARG 32 1HG ARG 32 -6.023 -7.655 9.817 238 2HG ARG 32 2HG ARG 32 -7.216 -7.157 8.604 239 1HD ARG 32 1HD ARG 32 -8.049 -9.298 8.524 240 2HD ARG 32 2HD ARG 32 -6.489 -9.874 7.895 241 HE ARG 32 HE ARG 32 -5.796 -10.507 10.171 242 1HH1 ARG 32 2HH1 ARG 32 -8.925 -8.998 10.242 243 2HH1 ARG 32 1HH1 ARG 32 -9.252 -9.587 11.941 244 1HH2 ARG 32 1HH2 ARG 32 -6.204 -11.159 12.080 245 2HH2 ARG 32 2HH2 ARG 32 -7.764 -10.731 12.919 246 H ALA 33 H ALA 33 -2.728 -9.355 6.750 247 HA ALA 33 HA ALA 33 -2.171 -11.584 8.540 248 1HB ALA 33 1HB ALA 33 -2.341 -11.759 6.062 249 2HB ALA 33 2HB ALA 33 -0.851 -10.797 5.858 250 3HB ALA 33 3HB ALA 33 -0.787 -12.401 6.620 251 H THR 34 H THR 34 -0.571 -12.131 9.861 252 HA THR 34 HA THR 34 2.093 -10.707 9.906 253 HB THR 34 HB THR 34 1.828 -10.506 12.542 254 HG1 THR 34 HG1 THR 34 -0.358 -11.338 12.477 255 1HG2 THR 34 2HG2 THR 34 2.151 -8.581 10.852 256 2HG2 THR 34 3HG2 THR 34 0.378 -8.473 10.701 257 3HG2 THR 34 1HG2 THR 34 1.153 -8.122 12.255 258 H GLY 35 H GLY 35 0.030 -13.307 11.348 259 1HA GLY 35 1HA GLY 35 2.573 -14.761 12.269 260 2HA GLY 35 2HA GLY 35 1.272 -14.508 13.438 261 1HN NH2 36 1HN NH2 36 -0.810 -15.655 13.186 262 2HN NH2 36 2HN NH2 36 -0.890 -17.148 12.213 263 1H ACE 37 1HH3 ACE 37 -13.725 -5.788 13.768 264 2H ACE 37 2HH3 ACE 37 -13.072 -7.461 13.848 265 3H ACE 37 3HH3 ACE 37 -12.214 -6.122 14.656 266 H VAL 38 H VAL 38 -13.288 -7.199 11.441 267 HA VAL 38 HA VAL 38 -11.728 -5.128 10.006 268 HB VAL 38 HB VAL 38 -10.148 -7.336 10.580 269 1HG1 VAL 38 1HG1 VAL 38 -11.196 -7.729 7.681 270 2HG1 VAL 38 2HG1 VAL 38 -9.725 -8.495 8.324 271 3HG1 VAL 38 3HG1 VAL 38 -11.302 -8.896 9.012 272 1HG2 VAL 38 1HG2 VAL 38 -9.289 -5.101 9.754 273 2HG2 VAL 38 2HG2 VAL 38 -8.554 -6.434 8.837 274 3HG2 VAL 38 3HG2 VAL 38 -9.871 -5.476 8.117 275 H THR 39 H THR 39 -12.845 -4.622 8.268 276 HA THR 39 HA THR 39 -14.323 -6.711 6.655 277 HB THR 39 HB THR 39 -16.300 -5.084 6.277 278 HG1 THR 39 HG1 THR 39 -15.796 -4.234 8.899 279 1HG2 THR 39 2HG2 THR 39 -15.955 -6.414 9.058 280 2HG2 THR 39 3HG2 THR 39 -17.509 -5.942 8.327 281 3HG2 THR 39 1HG2 THR 39 -16.528 -7.220 7.579 282 H GLU 40 H GLU 40 -15.164 -5.457 4.560 283 HA GLU 40 HA GLU 40 -12.751 -4.433 3.129 284 1HB GLU 40 1HB GLU 40 -15.053 -5.760 2.348 285 2HB GLU 40 2HB GLU 40 -15.389 -4.159 1.765 286 1HG GLU 40 1HG GLU 40 -13.318 -6.156 0.789 287 2HG GLU 40 2HG GLU 40 -14.333 -5.070 -0.142 288 H GLU 41 H GLU 41 -15.677 -2.914 4.422 289 HA GLU 41 HA GLU 41 -15.418 -0.325 3.294 290 1HB GLU 41 1HB GLU 41 -17.105 0.408 4.678 291 2HB GLU 41 2HB GLU 41 -17.391 -1.301 4.547 292 1HG GLU 41 1HG GLU 41 -16.852 -1.716 6.866 293 2HG GLU 41 2HG GLU 41 -15.874 -0.269 7.022 294 H ASP 42 H ASP 42 -13.486 -1.546 5.907 295 HA ASP 42 HA ASP 42 -12.526 1.174 6.861 296 1HB ASP 42 1HB ASP 42 -12.136 -1.710 7.790 297 2HB ASP 42 2HB ASP 42 -10.942 -0.510 8.264 298 H ILE 43 H ILE 43 -10.909 -1.713 5.415 299 HA ILE 43 HA ILE 43 -8.581 -0.437 4.344 300 HB ILE 43 HB ILE 43 -10.189 -2.799 3.348 301 1HG1 ILE 43 1HG1 ILE 43 -8.200 -4.127 3.800 302 2HG1 ILE 43 2HG1 ILE 43 -7.161 -2.729 3.863 303 1HG2 ILE 43 1HG2 ILE 43 -9.512 -1.701 1.177 304 2HG2 ILE 43 2HG2 ILE 43 -7.826 -1.604 1.720 305 3HG2 ILE 43 3HG2 ILE 43 -8.592 -3.181 1.405 306 1HD1 ILE 43 1HD1 ILE 43 -8.238 -1.927 6.009 307 2HD1 ILE 43 2HD1 ILE 43 -9.209 -3.423 6.056 308 3HD1 ILE 43 3HD1 ILE 43 -7.437 -3.509 6.145 309 H GLU 44 H GLU 44 -11.861 -0.302 3.028 310 HA GLU 44 HA GLU 44 -11.153 1.155 0.508 311 1HB GLU 44 1HB GLU 44 -13.637 0.090 1.742 312 2HB GLU 44 2HB GLU 44 -13.883 1.572 0.870 313 1HG GLU 44 1HG GLU 44 -12.301 -0.493 -0.685 314 2HG GLU 44 2HG GLU 44 -13.929 -0.997 -0.270 315 H ASP 45 H ASP 45 -12.011 2.085 3.763 316 HA ASP 45 HA ASP 45 -12.309 5.031 3.319 317 1HB ASP 45 1HB ASP 45 -11.897 3.224 5.758 318 2HB ASP 45 2HB ASP 45 -11.706 4.963 5.925 319 H LEU 46 H LEU 46 -9.591 2.969 4.369 320 HA LEU 46 HA LEU 46 -7.421 4.986 4.427 321 1HB LEU 46 1HB LEU 46 -7.262 2.675 5.330 322 2HB LEU 46 2HB LEU 46 -7.340 1.991 3.724 323 HG LEU 46 HG LEU 46 -5.033 3.811 4.677 324 1HD1 LEU 46 1HD1 LEU 46 -5.421 1.440 5.815 325 2HD1 LEU 46 2HD1 LEU 46 -4.783 0.795 4.296 326 3HD1 LEU 46 3HD1 LEU 46 -3.776 1.894 5.284 327 1HD2 LEU 46 1HD2 LEU 46 -5.743 2.732 2.025 328 2HD2 LEU 46 2HD2 LEU 46 -4.408 3.840 2.453 329 3HD2 LEU 46 3HD2 LEU 46 -4.196 2.067 2.552 330 H MET 47 H MET 47 -8.251 2.827 1.710 331 HA MET 47 HA MET 47 -6.375 3.907 -0.167 332 1HB MET 47 1HB MET 47 -7.250 1.788 -0.712 333 2HB MET 47 2HB MET 47 -8.920 2.278 -0.483 334 1HG MET 47 1HG MET 47 -8.457 1.937 -2.912 335 2HG MET 47 2HG MET 47 -8.909 3.621 -2.592 336 1HE MET 47 1HE MET 47 -6.179 1.065 -3.451 337 2HE MET 47 2HE MET 47 -6.944 1.828 -4.875 338 3HE MET 47 3HE MET 47 -5.201 2.079 -4.568 339 H LYS 48 H LYS 48 -9.846 4.786 0.104 340 HA LYS 48 HA LYS 48 -9.913 6.707 -2.200 341 1HB LYS 48 1HB LYS 48 -11.732 5.624 -0.124 342 2HB LYS 48 2HB LYS 48 -12.056 7.309 -0.394 343 1HG LYS 48 1HG LYS 48 -13.233 5.261 -1.839 344 2HG LYS 48 2HG LYS 48 -13.075 6.878 -2.447 345 1HD LYS 48 1HD LYS 48 -11.085 6.402 -3.754 346 2HD LYS 48 2HD LYS 48 -10.832 4.836 -3.059 347 1HE LYS 48 1HE LYS 48 -13.532 5.221 -4.459 348 2HE LYS 48 2HE LYS 48 -12.121 5.358 -5.494 349 1HZ LYS 48 1HZ LYS 48 -12.501 2.991 -3.658 350 2HZ LYS 48 2HZ LYS 48 -12.980 2.929 -5.167 351 3HZ LYS 48 3HZ LYS 48 -11.367 3.091 -4.827 352 H ASP 49 H ASP 49 -8.984 6.839 1.162 353 HA ASP 49 HA ASP 49 -9.150 9.840 1.472 354 1HB ASP 49 1HB ASP 49 -9.440 8.171 3.405 355 2HB ASP 49 2HB ASP 49 -7.718 7.827 3.320 356 H SER 50 H SER 50 -6.687 7.482 0.594 357 HA SER 50 HA SER 50 -4.744 9.745 -0.120 358 1HB SER 50 1HB SER 50 -3.235 7.486 -0.562 359 2HB SER 50 2HB SER 50 -3.280 8.339 0.978 360 HG SER 50 HG SER 50 -4.797 6.889 1.740 361 H ASP 51 H ASP 51 -7.225 8.299 -1.590 362 HA ASP 51 HA ASP 51 -6.096 7.814 -4.270 363 1HB ASP 51 1HB ASP 51 -8.308 6.924 -3.199 364 2HB ASP 51 2HB ASP 51 -9.038 8.463 -3.633 365 H LYS 52 H LYS 52 -5.151 9.263 -5.476 366 HA LYS 52 HA LYS 52 -5.978 12.107 -5.975 367 1HB LYS 52 1HB LYS 52 -4.478 10.077 -7.717 368 2HB LYS 52 2HB LYS 52 -4.624 11.759 -8.126 369 1HG LYS 52 1HG LYS 52 -3.134 12.421 -6.234 370 2HG LYS 52 2HG LYS 52 -3.352 10.891 -5.444 371 1HD LYS 52 1HD LYS 52 -1.204 10.614 -6.282 372 2HD LYS 52 2HD LYS 52 -2.114 9.717 -7.452 373 1HE LYS 52 1HE LYS 52 -1.436 12.706 -7.989 374 2HE LYS 52 2HE LYS 52 -0.184 11.478 -8.176 375 1HZ LYS 52 1HZ LYS 52 -2.132 10.246 -9.639 376 2HZ LYS 52 2HZ LYS 52 -2.612 11.811 -9.895 377 3HZ LYS 52 3HZ LYS 52 -1.120 11.278 -10.287 378 H ASN 53 H ASN 53 -6.408 11.822 -8.884 379 HA ASN 53 HA ASN 53 -9.140 10.929 -9.226 380 1HB ASN 53 1HB ASN 53 -8.544 11.018 -11.753 381 2HB ASN 53 2HB ASN 53 -8.268 12.475 -10.840 382 1HD2 ASN 53 1HD2 ASN 53 -4.730 12.370 -11.394 383 2HD2 ASN 53 2HD2 ASN 53 -6.052 13.062 -10.351 384 H ASN 54 H ASN 54 -6.211 9.180 -10.298 385 HA ASN 54 HA ASN 54 -5.704 6.845 -10.469 386 1HB ASN 54 1HB ASN 54 -7.960 6.930 -8.357 387 2HB ASN 54 2HB ASN 54 -7.162 5.437 -8.764 388 1HD2 ASN 54 1HD2 ASN 54 -5.049 6.367 -6.051 389 2HD2 ASN 54 2HD2 ASN 54 -6.482 5.367 -6.561 390 H ASP 55 H ASP 55 -6.074 5.896 -12.453 391 HA ASP 55 HA ASP 55 -8.679 4.507 -12.972 392 1HB ASP 55 1HB ASP 55 -6.702 5.270 -14.635 393 2HB ASP 55 2HB ASP 55 -6.044 3.677 -14.287 394 H GLY 56 H GLY 56 -7.856 4.038 -10.364 395 1HA GLY 56 1HA GLY 56 -8.948 2.145 -9.217 396 2HA GLY 56 2HA GLY 56 -8.415 1.075 -10.521 397 H ARG 57 H ARG 57 -5.648 2.745 -9.482 398 HA ARG 57 HA ARG 57 -4.717 0.330 -7.914 399 1HB ARG 57 1HB ARG 57 -3.172 -0.484 -9.669 400 2HB ARG 57 2HB ARG 57 -4.856 -0.584 -10.181 401 1HG ARG 57 1HG ARG 57 -4.417 1.773 -11.359 402 2HG ARG 57 2HG ARG 57 -2.707 1.444 -11.090 403 1HD ARG 57 1HD ARG 57 -4.636 0.139 -13.031 404 2HD ARG 57 2HD ARG 57 -2.919 0.494 -13.210 405 HE ARG 57 HE ARG 57 -2.241 -1.485 -11.883 406 1HH1 ARG 57 2HH1 ARG 57 -5.663 -1.442 -12.423 407 2HH1 ARG 57 1HH1 ARG 57 -5.761 -3.274 -12.263 408 1HH2 ARG 57 1HH2 ARG 57 -2.426 -3.430 -11.498 409 2HH2 ARG 57 2HH2 ARG 57 -4.011 -4.334 -11.661 410 H ILE 58 H ILE 58 -2.629 0.410 -7.127 411 HA ILE 58 HA ILE 58 -1.641 3.252 -6.697 412 HB ILE 58 HB ILE 58 -1.637 0.775 -4.912 413 1HG1 ILE 58 1HG1 ILE 58 -2.940 3.562 -4.618 414 2HG1 ILE 58 2HG1 ILE 58 -3.765 2.056 -4.904 415 1HG2 ILE 58 1HG2 ILE 58 0.590 1.922 -4.537 416 2HG2 ILE 58 2HG2 ILE 58 -0.236 3.464 -4.238 417 3HG2 ILE 58 3HG2 ILE 58 -0.441 2.095 -3.121 418 1HD1 ILE 58 1HD1 ILE 58 -3.052 1.146 -2.646 419 2HD1 ILE 58 2HD1 ILE 58 -2.316 2.726 -2.271 420 3HD1 ILE 58 3HD1 ILE 58 -4.067 2.607 -2.552 421 H ASP 59 H ASP 59 0.338 3.893 -7.219 422 HA ASP 59 HA ASP 59 2.510 1.875 -7.907 423 1HB ASP 59 1HB ASP 59 3.485 3.735 -9.267 424 2HB ASP 59 2HB ASP 59 1.818 3.394 -9.711 425 H PHE 60 H PHE 60 4.826 3.343 -7.695 426 HA PHE 60 HA PHE 60 5.512 2.352 -4.967 427 1HB PHE 60 1HB PHE 60 6.984 2.361 -7.140 428 2HB PHE 60 2HB PHE 60 7.311 4.030 -6.809 429 HD1 PHE 60 HD1 PHE 60 6.999 1.760 -3.908 430 HD2 PHE 60 HD2 PHE 60 9.768 3.556 -6.657 431 HE1 PHE 60 HE1 PHE 60 8.863 1.103 -2.456 432 HE2 PHE 60 HE2 PHE 60 11.638 2.909 -5.180 433 HZ PHE 60 HZ PHE 60 11.192 1.631 -3.104 434 H ASP 61 H ASP 61 4.804 5.512 -6.287 435 HA ASP 61 HA ASP 61 5.798 7.344 -4.187 436 1HB ASP 61 1HB ASP 61 4.991 8.506 -6.090 437 2HB ASP 61 2HB ASP 61 3.702 7.360 -6.406 438 H GLU 62 H GLU 62 2.437 6.760 -4.766 439 HA GLU 62 HA GLU 62 1.035 6.992 -2.312 440 1HB GLU 62 1HB GLU 62 0.434 4.613 -4.090 441 2HB GLU 62 2HB GLU 62 -0.669 5.574 -3.153 442 1HG GLU 62 1HG GLU 62 0.092 7.562 -4.876 443 2HG GLU 62 2HG GLU 62 0.562 6.212 -5.892 444 H PHE 63 H PHE 63 3.290 4.372 -3.017 445 HA PHE 63 HA PHE 63 2.610 2.633 -0.650 446 1HB PHE 63 1HB PHE 63 3.948 1.948 -2.779 447 2HB PHE 63 2HB PHE 63 5.303 2.802 -2.123 448 HD1 PHE 63 HD1 PHE 63 3.898 1.530 0.849 449 HD2 PHE 63 HD2 PHE 63 5.735 -0.003 -2.728 450 HE1 PHE 63 HE1 PHE 63 4.985 -0.262 2.152 451 HE2 PHE 63 HE2 PHE 63 6.803 -1.772 -1.417 452 HZ PHE 63 HZ PHE 63 6.496 -1.868 1.033 453 H LEU 64 H LEU 64 5.442 4.739 -1.237 454 HA LEU 64 HA LEU 64 6.396 5.044 1.454 455 1HB LEU 64 1HB LEU 64 6.508 6.984 -0.908 456 2HB LEU 64 2HB LEU 64 7.305 7.349 0.603 457 HG LEU 64 HG LEU 64 7.926 4.753 -0.917 458 1HD1 LEU 64 1HD1 LEU 64 9.198 7.543 -1.353 459 2HD1 LEU 64 2HD1 LEU 64 9.881 6.006 -1.950 460 3HD1 LEU 64 3HD1 LEU 64 8.302 6.543 -2.530 461 1HD2 LEU 64 1HD2 LEU 64 9.548 6.415 1.149 462 2HD2 LEU 64 2HD2 LEU 64 8.841 4.791 1.395 463 3HD2 LEU 64 3HD2 LEU 64 10.177 5.007 0.256 464 H LYS 65 H LYS 65 3.657 6.768 0.014 465 HA LYS 65 HA LYS 65 3.024 8.353 2.458 466 1HB LYS 65 1HB LYS 65 2.308 8.075 -0.288 467 2HB LYS 65 2HB LYS 65 0.806 7.755 0.556 468 1HG LYS 65 1HG LYS 65 2.264 10.236 1.497 469 2HG LYS 65 2HG LYS 65 1.855 10.250 -0.229 470 1HD LYS 65 1HD LYS 65 0.032 11.201 1.259 471 2HD LYS 65 2HD LYS 65 -0.525 9.936 0.160 472 1HE LYS 65 1HE LYS 65 -1.563 9.096 2.081 473 2HE LYS 65 2HE LYS 65 0.044 8.464 2.484 474 1HZ LYS 65 1HZ LYS 65 0.397 10.955 3.482 475 2HZ LYS 65 2HZ LYS 65 -1.232 10.987 3.521 476 3HZ LYS 65 3HZ LYS 65 -0.459 9.870 4.382 477 H MET 66 H MET 66 1.179 5.567 1.093 478 HA MET 66 HA MET 66 -0.325 4.661 3.196 479 1HB MET 66 1HB MET 66 -0.339 3.427 1.126 480 2HB MET 66 2HB MET 66 1.357 3.011 1.248 481 1HG MET 66 1HG MET 66 0.404 1.762 3.562 482 2HG MET 66 2HG MET 66 -0.981 1.581 2.468 483 1HE MET 66 1HE MET 66 0.964 1.971 -0.272 484 2HE MET 66 2HE MET 66 1.017 0.260 -0.789 485 3HE MET 66 3HE MET 66 -0.523 0.974 -0.220 486 H MET 67 H MET 67 3.170 4.021 3.077 487 HA MET 67 HA MET 67 3.339 3.000 5.947 488 1HB MET 67 1HB MET 67 5.411 3.651 3.777 489 2HB MET 67 2HB MET 67 5.897 3.594 5.459 490 1HG MET 67 1HG MET 67 4.341 1.184 4.442 491 2HG MET 67 2HG MET 67 6.020 1.376 3.902 492 1HE MET 67 1HE MET 67 6.744 -0.689 4.846 493 2HE MET 67 2HE MET 67 8.045 0.387 5.451 494 3HE MET 67 3HE MET 67 7.333 -0.855 6.527 495 H GLU 68 H GLU 68 5.364 5.629 4.672 496 HA GLU 68 HA GLU 68 5.293 6.771 7.448 497 1HB GLU 68 1HB GLU 68 7.198 8.217 6.641 498 2HB GLU 68 2HB GLU 68 7.472 6.503 6.719 499 1HG GLU 68 1HG GLU 68 7.180 6.373 4.152 500 2HG GLU 68 2HG GLU 68 6.993 8.116 4.110 501 H GLY 69 H GLY 69 3.195 7.287 5.093 502 1HA GLY 69 1HA GLY 69 2.912 10.216 4.678 503 2HA GLY 69 2HA GLY 69 1.608 9.029 4.557 504 H VAL 70 H VAL 70 3.029 11.463 6.552 505 HA VAL 70 HA VAL 70 1.339 11.186 8.920 506 HB VAL 70 HB VAL 70 2.513 13.726 7.666 507 1HG1 VAL 70 1HG1 VAL 70 1.256 13.371 10.483 508 2HG1 VAL 70 2HG1 VAL 70 2.180 14.798 9.948 509 3HG1 VAL 70 3HG1 VAL 70 0.639 14.415 9.178 510 1HG2 VAL 70 1HG2 VAL 70 4.263 12.092 8.476 511 2HG2 VAL 70 2HG2 VAL 70 4.261 13.550 9.456 512 3HG2 VAL 70 3HG2 VAL 70 3.518 12.052 10.089 513 H GLN 71 H GLN 71 -0.760 11.565 9.285 514 HA GLN 71 HA GLN 71 -2.721 12.366 7.212 515 1HB GLN 71 1HB GLN 71 -3.368 10.824 8.955 516 2HB GLN 71 2HB GLN 71 -2.929 11.949 10.240 517 1HG GLN 71 1HG GLN 71 -5.076 12.751 10.234 518 2HG GLN 71 2HG GLN 71 -4.885 13.361 8.601 519 1HE2 GLN 71 1HE2 GLN 71 -6.894 10.753 7.211 520 2HE2 GLN 71 2HE2 GLN 71 -5.671 12.100 6.881 521 1HN NH2 72 1HN NH2 72 -2.710 14.129 10.386 522 2HN NH2 72 2HN NH2 72 -2.663 15.766 9.679 No H/Q in entry = 522 Start of MODEL 3 1 1H ACE 1 1HH3 ACE 1 24.957 3.737 -2.263 2 2H ACE 1 2HH3 ACE 1 24.466 3.034 -0.681 3 3H ACE 1 3HH3 ACE 1 24.248 2.108 -2.193 4 H LYS 2 H LYS 2 23.346 5.414 -1.075 5 HA LYS 2 HA LYS 2 20.578 4.532 -0.568 6 1HB LYS 2 1HB LYS 2 22.089 7.131 -0.311 7 2HB LYS 2 2HB LYS 2 20.346 7.280 -0.356 8 1HG LYS 2 1HG LYS 2 20.461 5.398 1.636 9 2HG LYS 2 2HG LYS 2 22.147 5.842 1.714 10 1HD LYS 2 1HD LYS 2 21.428 8.300 2.100 11 2HD LYS 2 2HD LYS 2 19.746 7.765 2.139 12 1HE LYS 2 1HE LYS 2 20.549 6.001 3.962 13 2HE LYS 2 2HE LYS 2 21.985 7.025 4.152 14 1HZ LYS 2 1HZ LYS 2 20.148 8.986 4.375 15 2HZ LYS 2 2HZ LYS 2 19.148 7.751 4.865 16 3HZ LYS 2 3HZ LYS 2 20.537 8.109 5.612 17 H SER 3 H SER 3 19.088 4.170 -2.146 18 HA SER 3 HA SER 3 18.070 6.658 -3.528 19 1HB SER 3 1HB SER 3 17.954 5.261 -5.761 20 2HB SER 3 2HB SER 3 19.431 6.096 -5.342 21 HG SER 3 HG SER 3 18.846 3.376 -5.445 22 H GLU 4 H GLU 4 16.403 5.019 -5.320 23 HA GLU 4 HA GLU 4 14.108 4.220 -3.554 24 1HB GLU 4 1HB GLU 4 12.794 3.804 -5.395 25 2HB GLU 4 2HB GLU 4 13.741 5.233 -5.732 26 1HG GLU 4 1HG GLU 4 14.757 4.278 -7.639 27 2HG GLU 4 2HG GLU 4 14.837 2.663 -6.945 28 H GLU 5 H GLU 5 16.999 2.721 -4.391 29 HA GLU 5 HA GLU 5 16.746 0.074 -4.767 30 1HB GLU 5 1HB GLU 5 18.841 1.291 -4.159 31 2HB GLU 5 2HB GLU 5 18.460 1.121 -2.472 32 1HG GLU 5 1HG GLU 5 19.190 -1.114 -2.386 33 2HG GLU 5 2HG GLU 5 18.555 -1.519 -3.970 34 H GLU 6 H GLU 6 16.116 1.237 -1.444 35 HA GLU 6 HA GLU 6 15.486 -1.556 -0.596 36 1HB GLU 6 1HB GLU 6 16.953 -0.671 0.880 37 2HB GLU 6 2HB GLU 6 16.352 0.955 0.756 38 1HG GLU 6 1HG GLU 6 14.340 0.247 2.267 39 2HG GLU 6 2HG GLU 6 15.122 -1.308 2.485 40 H LEU 7 H LEU 7 13.631 1.456 -0.708 41 HA LEU 7 HA LEU 7 10.942 0.201 -0.153 42 1HB LEU 7 1HB LEU 7 11.717 2.775 -1.633 43 2HB LEU 7 2HB LEU 7 10.069 2.280 -1.335 44 HG LEU 7 HG LEU 7 11.002 2.238 1.267 45 1HD1 LEU 7 1HD1 LEU 7 13.279 3.013 0.630 46 2HD1 LEU 7 2HD1 LEU 7 12.612 4.469 -0.152 47 3HD1 LEU 7 3HD1 LEU 7 12.465 4.241 1.611 48 1HD2 LEU 7 1HD2 LEU 7 9.928 4.725 -0.261 49 2HD2 LEU 7 2HD2 LEU 7 8.956 3.481 0.573 50 3HD2 LEU 7 3HD2 LEU 7 9.991 4.558 1.514 51 H ALA 8 H ALA 8 13.114 0.340 -2.949 52 HA ALA 8 HA ALA 8 11.286 -1.018 -4.789 53 1HB ALA 8 1HB ALA 8 14.377 -0.931 -4.666 54 2HB ALA 8 2HB ALA 8 13.425 -1.487 -6.057 55 3HB ALA 8 3HB ALA 8 13.307 0.197 -5.532 56 H ASN 9 H ASN 9 14.119 -2.676 -3.237 57 HA ASN 9 HA ASN 9 13.299 -5.337 -3.155 58 1HB ASN 9 1HB ASN 9 14.376 -4.030 -0.573 59 2HB ASN 9 2HB ASN 9 14.671 -5.642 -1.163 60 1HD2 ASN 9 1HD2 ASN 9 17.601 -3.363 -1.889 61 2HD2 ASN 9 2HD2 ASN 9 16.591 -3.637 -0.400 62 H ALA 10 H ALA 10 12.116 -2.971 -0.742 63 HA ALA 10 HA ALA 10 10.214 -4.718 0.650 64 1HB ALA 10 1HB ALA 10 11.152 -2.580 1.543 65 2HB ALA 10 2HB ALA 10 10.225 -1.636 0.348 66 3HB ALA 10 3HB ALA 10 9.379 -2.566 1.604 67 H PHE 11 H PHE 11 9.521 -2.299 -1.917 68 HA PHE 11 HA PHE 11 6.704 -2.845 -2.236 69 1HB PHE 11 1HB PHE 11 7.850 -0.806 -3.055 70 2HB PHE 11 2HB PHE 11 8.735 -1.716 -4.231 71 HD1 PHE 11 HD1 PHE 11 7.115 -3.199 -5.927 72 HD2 PHE 11 HD2 PHE 11 5.947 0.418 -3.910 73 HE1 PHE 11 HE1 PHE 11 5.392 -2.790 -7.637 74 HE2 PHE 11 HE2 PHE 11 4.184 0.771 -5.592 75 HZ PHE 11 HZ PHE 11 3.949 -0.795 -7.493 76 H ARG 12 H ARG 12 9.392 -4.294 -4.123 77 HA ARG 12 HA ARG 12 7.809 -6.268 -5.552 78 1HB ARG 12 1HB ARG 12 10.733 -6.399 -4.614 79 2HB ARG 12 2HB ARG 12 10.008 -7.602 -5.675 80 1HG ARG 12 1HG ARG 12 9.782 -6.060 -7.506 81 2HG ARG 12 2HG ARG 12 9.824 -4.632 -6.464 82 1HD ARG 12 1HD ARG 12 11.965 -5.171 -7.904 83 2HD ARG 12 2HD ARG 12 12.202 -4.695 -6.200 84 HE ARG 12 HE ARG 12 12.725 -7.033 -5.609 85 1HH1 ARG 12 2HH1 ARG 12 11.991 -6.746 -8.983 86 2HH1 ARG 12 1HH1 ARG 12 12.667 -8.405 -9.355 87 1HH2 ARG 12 1HH2 ARG 12 13.446 -8.895 -6.038 88 2HH2 ARG 12 2HH2 ARG 12 13.454 -9.560 -7.737 89 H ILE 13 H ILE 13 9.007 -6.335 -2.231 90 HA ILE 13 HA ILE 13 8.692 -9.275 -1.836 91 HB ILE 13 HB ILE 13 9.445 -6.977 0.022 92 1HG1 ILE 13 1HG1 ILE 13 11.123 -8.325 -1.649 93 2HG1 ILE 13 2HG1 ILE 13 11.634 -7.679 -0.113 94 1HG2 ILE 13 1HG2 ILE 13 8.085 -8.545 1.462 95 2HG2 ILE 13 2HG2 ILE 13 9.067 -9.928 0.926 96 3HG2 ILE 13 3HG2 ILE 13 9.776 -8.639 1.919 97 1HD1 ILE 13 1HD1 ILE 13 11.338 -9.900 1.034 98 2HD1 ILE 13 2HD1 ILE 13 10.874 -10.634 -0.521 99 3HD1 ILE 13 3HD1 ILE 13 12.502 -9.962 -0.309 100 H PHE 14 H PHE 14 6.743 -6.437 -1.166 101 HA PHE 14 HA PHE 14 4.383 -7.780 0.129 102 1HB PHE 14 1HB PHE 14 4.736 -5.185 -1.502 103 2HB PHE 14 2HB PHE 14 3.166 -5.750 -1.035 104 HD1 PHE 14 HD1 PHE 14 6.338 -4.344 0.274 105 HD2 PHE 14 HD2 PHE 14 2.376 -5.631 1.322 106 HE1 PHE 14 HE1 PHE 14 6.556 -3.246 2.469 107 HE2 PHE 14 HE2 PHE 14 2.592 -4.512 3.505 108 HZ PHE 14 HZ PHE 14 4.664 -3.292 4.073 109 H ASP 15 H ASP 15 4.630 -6.487 -3.219 110 HA ASP 15 HA ASP 15 2.126 -7.712 -4.001 111 1HB ASP 15 1HB ASP 15 3.054 -5.629 -4.984 112 2HB ASP 15 2HB ASP 15 4.383 -6.506 -5.725 113 H LYS 16 H LYS 16 1.739 -9.267 -5.851 114 HA LYS 16 HA LYS 16 2.772 -11.831 -4.685 115 1HB LYS 16 1HB LYS 16 0.555 -11.136 -6.658 116 2HB LYS 16 2HB LYS 16 1.170 -12.765 -6.675 117 1HG LYS 16 1HG LYS 16 0.225 -11.496 -4.024 118 2HG LYS 16 2HG LYS 16 -0.969 -12.004 -5.212 119 1HD LYS 16 1HD LYS 16 0.514 -14.316 -5.151 120 2HD LYS 16 2HD LYS 16 0.931 -13.683 -3.560 121 1HE LYS 16 1HE LYS 16 -1.033 -15.331 -3.566 122 2HE LYS 16 2HE LYS 16 -1.292 -13.820 -2.671 123 1HZ LYS 16 1HZ LYS 16 -2.110 -14.122 -5.607 124 2HZ LYS 16 2HZ LYS 16 -3.160 -14.307 -4.345 125 3HZ LYS 16 3HZ LYS 16 -2.453 -12.865 -4.606 126 H ASN 17 H ASN 17 2.999 -10.044 -7.732 127 HA ASN 17 HA ASN 17 4.760 -12.217 -8.938 128 1HB ASN 17 1HB ASN 17 2.326 -11.493 -9.776 129 2HB ASN 17 2HB ASN 17 3.175 -10.224 -10.617 130 1HD2 ASN 17 1HD2 ASN 17 3.064 -13.856 -12.262 131 2HD2 ASN 17 2HD2 ASN 17 2.577 -13.683 -10.544 132 H ALA 18 H ALA 18 4.524 -8.688 -8.706 133 HA ALA 18 HA ALA 18 6.301 -7.083 -8.497 134 1HB ALA 18 1HB ALA 18 7.421 -9.044 -7.371 135 2HB ALA 18 2HB ALA 18 8.055 -9.578 -8.944 136 3HB ALA 18 3HB ALA 18 8.599 -8.037 -8.258 137 H ASP 19 H ASP 19 5.116 -7.422 -11.147 138 HA ASP 19 HA ASP 19 7.226 -6.458 -13.042 139 1HB ASP 19 1HB ASP 19 5.124 -5.657 -14.361 140 2HB ASP 19 2HB ASP 19 5.312 -7.386 -14.105 141 H GLY 20 H GLY 20 6.005 -5.077 -10.244 142 1HA GLY 20 1HA GLY 20 6.766 -2.923 -9.346 143 2HA GLY 20 2HA GLY 20 7.051 -2.355 -10.996 144 H TYR 21 H TYR 21 3.856 -3.604 -10.607 145 HA TYR 21 HA TYR 21 2.744 -0.920 -9.583 146 1HB TYR 21 1HB TYR 21 1.334 -3.113 -11.235 147 2HB TYR 21 2HB TYR 21 0.524 -1.741 -10.542 148 HD1 TYR 21 HD1 TYR 21 3.677 -0.473 -11.511 149 HD2 TYR 21 HD2 TYR 21 -0.118 -1.657 -13.152 150 HE1 TYR 21 HE1 TYR 21 4.140 0.833 -13.549 151 HE2 TYR 21 HE2 TYR 21 0.372 -0.334 -15.184 152 HH TYR 21 HH TYR 21 2.209 1.956 -15.453 153 H ILE 22 H ILE 22 0.924 -1.008 -8.093 154 HA ILE 22 HA ILE 22 0.202 -3.754 -6.917 155 HB ILE 22 HB ILE 22 0.383 -1.091 -5.418 156 1HG1 ILE 22 1HG1 ILE 22 1.935 -3.720 -5.209 157 2HG1 ILE 22 2HG1 ILE 22 2.538 -2.085 -5.239 158 1HG2 ILE 22 1HG2 ILE 22 -1.767 -2.240 -4.719 159 2HG2 ILE 22 2HG2 ILE 22 -0.875 -3.729 -4.352 160 3HG2 ILE 22 3HG2 ILE 22 -0.615 -2.248 -3.394 161 1HD1 ILE 22 1HD1 ILE 22 1.625 -1.648 -2.901 162 2HD1 ILE 22 2HD1 ILE 22 1.191 -3.374 -2.796 163 3HD1 ILE 22 3HD1 ILE 22 2.892 -2.898 -2.987 164 H ASP 23 H ASP 23 -2.020 -4.045 -6.345 165 HA ASP 23 HA ASP 23 -3.949 -2.365 -8.020 166 1HB ASP 23 1HB ASP 23 -4.948 -4.351 -9.031 167 2HB ASP 23 2HB ASP 23 -3.213 -4.410 -9.309 168 H ILE 24 H ILE 24 -6.311 -3.151 -7.532 169 HA ILE 24 HA ILE 24 -6.789 -2.317 -4.676 170 HB ILE 24 HB ILE 24 -8.215 -1.738 -6.868 171 1HG1 ILE 24 1HG1 ILE 24 -8.906 -0.513 -4.974 172 2HG1 ILE 24 2HG1 ILE 24 -10.337 -1.438 -5.338 173 1HG2 ILE 24 1HG2 ILE 24 -8.969 -4.107 -7.381 174 2HG2 ILE 24 2HG2 ILE 24 -9.757 -4.213 -5.795 175 3HG2 ILE 24 3HG2 ILE 24 -10.354 -3.085 -7.038 176 1HD1 ILE 24 1HD1 ILE 24 -9.731 -3.168 -3.570 177 2HD1 ILE 24 2HD1 ILE 24 -8.391 -2.114 -3.059 178 3HD1 ILE 24 3HD1 ILE 24 -10.066 -1.538 -2.932 179 H GLU 25 H GLU 25 -6.876 -5.303 -6.538 180 HA GLU 25 HA GLU 25 -8.352 -6.909 -4.476 181 1HB GLU 25 1HB GLU 25 -7.305 -7.409 -7.227 182 2HB GLU 25 2HB GLU 25 -7.294 -8.800 -6.187 183 1HG GLU 25 1HG GLU 25 -9.904 -8.094 -5.743 184 2HG GLU 25 2HG GLU 25 -9.710 -7.251 -7.269 185 H GLU 26 H GLU 26 -4.977 -6.455 -5.373 186 HA GLU 26 HA GLU 26 -3.944 -8.471 -3.404 187 1HB GLU 26 1HB GLU 26 -2.549 -6.572 -5.325 188 2HB GLU 26 2HB GLU 26 -1.648 -7.468 -4.141 189 1HG GLU 26 1HG GLU 26 -2.707 -9.657 -5.209 190 2HG GLU 26 2HG GLU 26 -3.253 -8.626 -6.519 191 H LEU 27 H LEU 27 -4.616 -5.078 -3.308 192 HA LEU 27 HA LEU 27 -2.902 -4.164 -1.154 193 1HB LEU 27 1HB LEU 27 -4.194 -2.678 -2.640 194 2HB LEU 27 2HB LEU 27 -5.709 -3.230 -1.975 195 HG LEU 27 HG LEU 27 -3.708 -1.942 -0.057 196 1HD1 LEU 27 1HD1 LEU 27 -3.721 -0.428 -2.043 197 2HD1 LEU 27 2HD1 LEU 27 -5.504 -0.319 -1.993 198 3HD1 LEU 27 3HD1 LEU 27 -4.507 0.325 -0.657 199 1HD2 LEU 27 1HD2 LEU 27 -6.811 -1.809 -0.230 200 2HD2 LEU 27 2HD2 LEU 27 -5.863 -2.834 0.888 201 3HD2 LEU 27 3HD2 LEU 27 -5.787 -1.075 1.035 202 H GLY 28 H GLY 28 -6.333 -5.108 -0.743 203 1HA GLY 28 1HA GLY 28 -6.877 -5.855 1.884 204 2HA GLY 28 2HA GLY 28 -7.037 -7.039 0.581 205 H GLU 29 H GLU 29 -4.683 -7.941 -0.061 206 HA GLU 29 HA GLU 29 -4.002 -9.706 2.232 207 1HB GLU 29 1HB GLU 29 -4.028 -10.853 0.245 208 2HB GLU 29 2HB GLU 29 -3.260 -9.597 -0.679 209 1HG GLU 29 1HG GLU 29 -1.604 -11.322 -0.632 210 2HG GLU 29 2HG GLU 29 -1.018 -10.236 0.615 211 H ILE 30 H ILE 30 -2.483 -6.870 0.861 212 HA ILE 30 HA ILE 30 0.096 -6.931 2.378 213 HB ILE 30 HB ILE 30 -1.481 -4.600 1.170 214 1HG1 ILE 30 1HG1 ILE 30 0.128 -4.500 -0.614 215 2HG1 ILE 30 2HG1 ILE 30 1.309 -5.452 0.243 216 1HG2 ILE 30 1HG2 ILE 30 -0.163 -3.729 3.135 217 2HG2 ILE 30 2HG2 ILE 30 1.325 -4.469 2.489 218 3HG2 ILE 30 3HG2 ILE 30 0.517 -3.131 1.625 219 1HD1 ILE 30 1HD1 ILE 30 -1.255 -6.706 -0.946 220 2HD1 ILE 30 2HD1 ILE 30 0.392 -6.782 -1.606 221 3HD1 ILE 30 3HD1 ILE 30 0.029 -7.561 -0.053 222 H LEU 31 H LEU 31 -3.008 -5.213 3.008 223 HA LEU 31 HA LEU 31 -2.820 -4.606 5.787 224 1HB LEU 31 1HB LEU 31 -5.362 -5.994 4.950 225 2HB LEU 31 2HB LEU 31 -5.150 -4.544 5.900 226 HG LEU 31 HG LEU 31 -5.253 -4.839 2.879 227 1HD1 LEU 31 1HD1 LEU 31 -6.516 -2.871 4.905 228 2HD1 LEU 31 2HD1 LEU 31 -6.768 -2.838 3.139 229 3HD1 LEU 31 3HD1 LEU 31 -7.310 -4.237 4.071 230 1HD2 LEU 31 1HD2 LEU 31 -3.879 -2.463 4.329 231 2HD2 LEU 31 2HD2 LEU 31 -3.137 -3.556 3.127 232 3HD2 LEU 31 3HD2 LEU 31 -4.417 -2.445 2.628 233 H ARG 32 H ARG 32 -3.279 -7.834 4.424 234 HA ARG 32 HA ARG 32 -3.801 -9.192 6.980 235 1HB ARG 32 1HB ARG 32 -4.115 -9.622 4.246 236 2HB ARG 32 2HB ARG 32 -2.850 -10.795 4.609 237 1HG ARG 32 1HG ARG 32 -4.671 -12.154 5.107 238 2HG ARG 32 2HG ARG 32 -4.594 -11.342 6.681 239 1HD ARG 32 1HD ARG 32 -6.194 -9.976 4.448 240 2HD ARG 32 2HD ARG 32 -6.910 -11.408 5.222 241 HE ARG 32 HE ARG 32 -6.236 -8.790 6.636 242 1HH1 ARG 32 2HH1 ARG 32 -7.505 -12.010 6.945 243 2HH1 ARG 32 1HH1 ARG 32 -8.225 -11.648 8.584 244 1HH2 ARG 32 1HH2 ARG 32 -7.065 -8.420 8.482 245 2HH2 ARG 32 2HH2 ARG 32 -7.993 -9.703 9.384 246 H ALA 33 H ALA 33 -0.901 -9.498 4.868 247 HA ALA 33 HA ALA 33 0.763 -10.557 7.116 248 1HB ALA 33 1HB ALA 33 0.822 -11.535 4.826 249 2HB ALA 33 2HB ALA 33 1.422 -9.997 4.148 250 3HB ALA 33 3HB ALA 33 2.425 -10.930 5.280 251 H THR 34 H THR 34 2.577 -9.654 8.101 252 HA THR 34 HA THR 34 3.078 -6.696 7.757 253 HB THR 34 HB THR 34 1.345 -7.768 9.918 254 HG1 THR 34 HG1 THR 34 1.321 -5.328 10.225 255 1HG2 THR 34 2HG2 THR 34 3.578 -7.552 11.196 256 2HG2 THR 34 3HG2 THR 34 3.619 -5.827 10.747 257 3HG2 THR 34 1HG2 THR 34 2.319 -6.436 11.787 258 H GLY 35 H GLY 35 3.671 -9.351 10.103 259 1HA GLY 35 1HA GLY 35 6.491 -9.713 10.314 260 2HA GLY 35 2HA GLY 35 6.271 -8.052 10.877 261 1HN NH2 36 1HN NH2 36 7.335 -8.999 12.880 262 2HN NH2 36 2HN NH2 36 6.299 -9.800 14.091 263 1H ACE 37 1HH3 ACE 37 -13.983 -1.926 11.363 264 2H ACE 37 2HH3 ACE 37 -13.574 -2.926 12.800 265 3H ACE 37 3HH3 ACE 37 -12.595 -1.491 12.397 266 H VAL 38 H VAL 38 -13.394 -4.781 11.328 267 HA VAL 38 HA VAL 38 -11.090 -4.714 9.292 268 HB VAL 38 HB VAL 38 -11.993 -7.095 11.003 269 1HG1 VAL 38 1HG1 VAL 38 -9.605 -6.818 9.035 270 2HG1 VAL 38 2HG1 VAL 38 -9.817 -8.176 10.164 271 3HG1 VAL 38 3HG1 VAL 38 -10.991 -7.912 8.871 272 1HG2 VAL 38 1HG2 VAL 38 -10.768 -5.388 12.418 273 2HG2 VAL 38 2HG2 VAL 38 -9.776 -6.845 12.192 274 3HG2 VAL 38 3HG2 VAL 38 -9.428 -5.374 11.250 275 H THR 39 H THR 39 -12.307 -4.268 7.464 276 HA THR 39 HA THR 39 -14.158 -6.294 6.349 277 HB THR 39 HB THR 39 -16.020 -4.314 6.045 278 HG1 THR 39 HG1 THR 39 -15.679 -4.130 8.766 279 1HG2 THR 39 2HG2 THR 39 -15.826 -6.279 8.437 280 2HG2 THR 39 3HG2 THR 39 -17.320 -5.498 7.865 281 3HG2 THR 39 1HG2 THR 39 -16.472 -6.660 6.823 282 H GLU 40 H GLU 40 -15.012 -5.530 4.187 283 HA GLU 40 HA GLU 40 -12.817 -4.304 2.555 284 1HB GLU 40 1HB GLU 40 -13.622 -5.896 1.232 285 2HB GLU 40 2HB GLU 40 -15.164 -5.980 2.028 286 1HG GLU 40 1HG GLU 40 -15.781 -3.780 0.612 287 2HG GLU 40 2HG GLU 40 -14.375 -4.185 -0.355 288 H GLU 41 H GLU 41 -15.867 -3.139 3.860 289 HA GLU 41 HA GLU 41 -16.039 -0.642 2.468 290 1HB GLU 41 1HB GLU 41 -17.911 -1.351 3.677 291 2HB GLU 41 2HB GLU 41 -17.052 -1.554 5.173 292 1HG GLU 41 1HG GLU 41 -16.796 1.134 5.119 293 2HG GLU 41 2HG GLU 41 -18.084 1.071 3.930 294 H ASP 42 H ASP 42 -13.845 -1.416 5.068 295 HA ASP 42 HA ASP 42 -12.917 1.461 5.442 296 1HB ASP 42 1HB ASP 42 -12.197 -1.179 6.852 297 2HB ASP 42 2HB ASP 42 -11.277 0.295 7.119 298 H ILE 43 H ILE 43 -11.800 -1.576 3.985 299 HA ILE 43 HA ILE 43 -9.336 -0.598 2.729 300 HB ILE 43 HB ILE 43 -11.334 -2.717 1.821 301 1HG1 ILE 43 1HG1 ILE 43 -8.709 -3.849 2.021 302 2HG1 ILE 43 2HG1 ILE 43 -8.799 -2.766 3.384 303 1HG2 ILE 43 1HG2 ILE 43 -10.391 -1.750 -0.313 304 2HG2 ILE 43 2HG2 ILE 43 -8.736 -1.945 0.298 305 3HG2 ILE 43 3HG2 ILE 43 -9.749 -3.366 -0.060 306 1HD1 ILE 43 1HD1 ILE 43 -10.936 -3.846 4.202 307 2HD1 ILE 43 2HD1 ILE 43 -10.791 -5.066 2.909 308 3HD1 ILE 43 3HD1 ILE 43 -9.538 -4.943 4.162 309 H GLU 44 H GLU 44 -12.726 -0.196 1.745 310 HA GLU 44 HA GLU 44 -12.119 1.346 -0.757 311 1HB GLU 44 1HB GLU 44 -14.560 0.337 0.592 312 2HB GLU 44 2HB GLU 44 -14.788 1.896 -0.139 313 1HG GLU 44 1HG GLU 44 -13.453 0.188 -2.130 314 2HG GLU 44 2HG GLU 44 -14.780 -0.727 -1.438 315 H ASP 45 H ASP 45 -12.961 2.166 2.571 316 HA ASP 45 HA ASP 45 -13.321 5.116 2.139 317 1HB ASP 45 1HB ASP 45 -13.213 3.266 4.576 318 2HB ASP 45 2HB ASP 45 -13.087 5.005 4.807 319 H LEU 46 H LEU 46 -10.667 3.040 3.261 320 HA LEU 46 HA LEU 46 -8.576 5.155 3.501 321 1HB LEU 46 1HB LEU 46 -8.459 2.861 4.497 322 2HB LEU 46 2HB LEU 46 -8.316 2.146 2.908 323 HG LEU 46 HG LEU 46 -6.127 3.817 2.773 324 1HD1 LEU 46 1HD1 LEU 46 -6.798 3.594 5.719 325 2HD1 LEU 46 2HD1 LEU 46 -5.095 3.332 5.242 326 3HD1 LEU 46 3HD1 LEU 46 -5.900 4.850 4.817 327 1HD2 LEU 46 1HD2 LEU 46 -6.300 1.195 2.598 328 2HD2 LEU 46 2HD2 LEU 46 -4.736 1.873 3.139 329 3HD2 LEU 46 3HD2 LEU 46 -5.886 1.167 4.313 330 H MET 47 H MET 47 -9.291 2.981 0.763 331 HA MET 47 HA MET 47 -7.377 4.407 -1.016 332 1HB MET 47 1HB MET 47 -7.679 1.947 -1.121 333 2HB MET 47 2HB MET 47 -9.361 2.133 -1.589 334 1HG MET 47 1HG MET 47 -8.879 2.564 -3.816 335 2HG MET 47 2HG MET 47 -7.482 3.586 -3.432 336 1HE MET 47 1HE MET 47 -6.917 2.221 -5.775 337 2HE MET 47 2HE MET 47 -5.563 2.861 -4.800 338 3HE MET 47 3HE MET 47 -5.450 1.220 -5.500 339 H LYS 48 H LYS 48 -10.685 5.108 -0.299 340 HA LYS 48 HA LYS 48 -10.774 7.081 -2.586 341 1HB LYS 48 1HB LYS 48 -12.515 6.748 -0.085 342 2HB LYS 48 2HB LYS 48 -12.873 7.902 -1.332 343 1HG LYS 48 1HG LYS 48 -13.586 6.159 -2.888 344 2HG LYS 48 2HG LYS 48 -12.560 4.963 -2.160 345 1HD LYS 48 1HD LYS 48 -15.265 5.023 -1.768 346 2HD LYS 48 2HD LYS 48 -14.184 4.180 -0.709 347 1HE LYS 48 1HE LYS 48 -15.269 5.457 0.948 348 2HE LYS 48 2HE LYS 48 -14.108 6.694 0.500 349 1HZ LYS 48 1HZ LYS 48 -16.588 6.628 -1.190 350 2HZ LYS 48 2HZ LYS 48 -16.706 7.299 0.319 351 3HZ LYS 48 3HZ LYS 48 -15.670 7.861 -0.810 352 H ASP 49 H ASP 49 -9.612 6.952 0.710 353 HA ASP 49 HA ASP 49 -9.673 9.930 1.221 354 1HB ASP 49 1HB ASP 49 -10.032 8.491 3.153 355 2HB ASP 49 2HB ASP 49 -8.576 7.556 2.846 356 H SER 50 H SER 50 -6.911 7.644 1.143 357 HA SER 50 HA SER 50 -4.934 9.839 0.478 358 1HB SER 50 1HB SER 50 -4.691 6.825 1.041 359 2HB SER 50 2HB SER 50 -3.333 7.716 0.361 360 HG SER 50 HG SER 50 -4.217 9.212 2.333 361 H ASP 51 H ASP 51 -7.173 8.348 -1.388 362 HA ASP 51 HA ASP 51 -5.701 7.856 -3.855 363 1HB ASP 51 1HB ASP 51 -8.155 7.221 -3.126 364 2HB ASP 51 2HB ASP 51 -8.628 8.794 -3.753 365 H LYS 52 H LYS 52 -4.740 9.100 -5.263 366 HA LYS 52 HA LYS 52 -5.226 12.054 -5.682 367 1HB LYS 52 1HB LYS 52 -3.827 9.935 -7.399 368 2HB LYS 52 2HB LYS 52 -3.843 11.622 -7.810 369 1HG LYS 52 1HG LYS 52 -2.087 10.117 -5.904 370 2HG LYS 52 2HG LYS 52 -1.786 11.617 -6.723 371 1HD LYS 52 1HD LYS 52 -3.519 11.459 -4.191 372 2HD LYS 52 2HD LYS 52 -1.822 11.801 -4.119 373 1HE LYS 52 1HE LYS 52 -2.121 14.017 -5.185 374 2HE LYS 52 2HE LYS 52 -3.683 13.563 -5.865 375 1HZ LYS 52 1HZ LYS 52 -4.628 13.454 -3.493 376 2HZ LYS 52 2HZ LYS 52 -3.189 14.003 -2.884 377 3HZ LYS 52 3HZ LYS 52 -4.118 14.904 -3.878 378 H ASN 53 H ASN 53 -5.482 11.399 -8.734 379 HA ASN 53 HA ASN 53 -8.336 11.116 -9.091 380 1HB ASN 53 1HB ASN 53 -7.602 10.484 -11.560 381 2HB ASN 53 2HB ASN 53 -7.211 12.062 -10.937 382 1HD2 ASN 53 1HD2 ASN 53 -3.893 11.482 -11.973 383 2HD2 ASN 53 2HD2 ASN 53 -5.341 12.583 -11.905 384 H ASN 54 H ASN 54 -5.885 8.543 -9.097 385 HA ASN 54 HA ASN 54 -5.937 6.274 -9.870 386 1HB ASN 54 1HB ASN 54 -8.514 6.494 -8.194 387 2HB ASN 54 2HB ASN 54 -8.172 5.019 -9.055 388 1HD2 ASN 54 1HD2 ASN 54 -5.060 5.463 -6.573 389 2HD2 ASN 54 2HD2 ASN 54 -5.224 6.423 -8.111 390 H ASP 55 H ASP 55 -5.995 6.977 -12.129 391 HA ASP 55 HA ASP 55 -8.346 6.524 -13.788 392 1HB ASP 55 1HB ASP 55 -6.376 7.545 -14.749 393 2HB ASP 55 2HB ASP 55 -5.329 6.210 -14.288 394 H GLY 56 H GLY 56 -6.232 4.202 -12.222 395 1HA GLY 56 1HA GLY 56 -8.458 2.299 -12.031 396 2HA GLY 56 2HA GLY 56 -7.265 1.608 -13.137 397 H ARG 57 H ARG 57 -4.893 1.937 -12.136 398 HA ARG 57 HA ARG 57 -4.968 0.563 -9.393 399 1HB ARG 57 1HB ARG 57 -2.891 -0.125 -11.507 400 2HB ARG 57 2HB ARG 57 -3.546 -1.127 -10.213 401 1HG ARG 57 1HG ARG 57 -5.849 -1.001 -11.532 402 2HG ARG 57 2HG ARG 57 -4.919 -0.330 -12.870 403 1HD ARG 57 1HD ARG 57 -3.631 -2.389 -13.162 404 2HD ARG 57 2HD ARG 57 -4.032 -2.959 -11.543 405 HE ARG 57 HE ARG 57 -5.844 -3.260 -13.895 406 1HH1 ARG 57 2HH1 ARG 57 -5.902 -2.971 -10.441 407 2HH1 ARG 57 1HH1 ARG 57 -7.495 -3.887 -10.342 408 1HH2 ARG 57 1HH2 ARG 57 -7.551 -4.272 -13.745 409 2HH2 ARG 57 2HH2 ARG 57 -8.390 -4.586 -12.146 410 H ILE 58 H ILE 58 -2.579 0.211 -8.596 411 HA ILE 58 HA ILE 58 -1.375 2.972 -8.212 412 HB ILE 58 HB ILE 58 -1.443 0.476 -6.464 413 1HG1 ILE 58 1HG1 ILE 58 -2.433 3.375 -6.075 414 2HG1 ILE 58 2HG1 ILE 58 -3.408 1.940 -6.217 415 1HG2 ILE 58 1HG2 ILE 58 0.921 1.362 -6.266 416 2HG2 ILE 58 2HG2 ILE 58 0.302 2.979 -5.879 417 3HG2 ILE 58 3HG2 ILE 58 0.038 1.617 -4.765 418 1HD1 ILE 58 1HD1 ILE 58 -2.527 1.028 -4.018 419 2HD1 ILE 58 2HD1 ILE 58 -1.625 2.548 -3.781 420 3HD1 ILE 58 3HD1 ILE 58 -3.401 2.574 -3.866 421 H ASP 59 H ASP 59 0.688 3.483 -8.801 422 HA ASP 59 HA ASP 59 2.736 1.242 -9.168 423 1HB ASP 59 1HB ASP 59 4.004 2.903 -10.556 424 2HB ASP 59 2HB ASP 59 2.388 2.600 -11.176 425 H PHE 60 H PHE 60 5.075 2.717 -8.910 426 HA PHE 60 HA PHE 60 5.565 2.320 -6.001 427 1HB PHE 60 1HB PHE 60 7.196 1.922 -7.998 428 2HB PHE 60 2HB PHE 60 7.463 3.634 -8.032 429 HD1 PHE 60 HD1 PHE 60 7.213 3.594 -4.683 430 HD2 PHE 60 HD2 PHE 60 9.703 1.757 -7.662 431 HE1 PHE 60 HE1 PHE 60 9.004 3.290 -3.011 432 HE2 PHE 60 HE2 PHE 60 11.480 1.458 -5.995 433 HZ PHE 60 HZ PHE 60 11.153 2.247 -3.673 434 H ASP 61 H ASP 61 4.889 5.143 -7.945 435 HA ASP 61 HA ASP 61 5.500 7.373 -6.096 436 1HB ASP 61 1HB ASP 61 4.774 8.134 -8.228 437 2HB ASP 61 2HB ASP 61 3.637 6.818 -8.451 438 H GLU 62 H GLU 62 2.281 6.347 -6.841 439 HA GLU 62 HA GLU 62 0.639 6.712 -4.555 440 1HB GLU 62 1HB GLU 62 0.642 4.176 -6.251 441 2HB GLU 62 2HB GLU 62 -0.659 4.706 -5.226 442 1HG GLU 62 1HG GLU 62 0.302 6.448 -7.597 443 2HG GLU 62 2HG GLU 62 -0.855 5.150 -7.826 444 H PHE 63 H PHE 63 3.255 4.319 -4.728 445 HA PHE 63 HA PHE 63 2.471 2.753 -2.277 446 1HB PHE 63 1HB PHE 63 3.962 1.932 -4.199 447 2HB PHE 63 2HB PHE 63 5.210 3.002 -3.659 448 HD1 PHE 63 HD1 PHE 63 3.209 0.056 -2.291 449 HD2 PHE 63 HD2 PHE 63 6.910 2.252 -2.266 450 HE1 PHE 63 HE1 PHE 63 4.137 -1.491 -0.604 451 HE2 PHE 63 HE2 PHE 63 7.832 0.670 -0.639 452 HZ PHE 63 HZ PHE 63 6.391 -1.086 0.335 453 H LEU 64 H LEU 64 5.055 5.144 -2.894 454 HA LEU 64 HA LEU 64 5.909 5.707 -0.234 455 1HB LEU 64 1HB LEU 64 5.762 7.532 -2.682 456 2HB LEU 64 2HB LEU 64 6.454 8.106 -1.186 457 HG LEU 64 HG LEU 64 7.503 5.572 -2.577 458 1HD1 LEU 64 1HD1 LEU 64 8.383 8.507 -3.027 459 2HD1 LEU 64 2HD1 LEU 64 9.303 7.074 -3.560 460 3HD1 LEU 64 3HD1 LEU 64 7.690 7.369 -4.216 461 1HD2 LEU 64 1HD2 LEU 64 8.783 7.484 -0.488 462 2HD2 LEU 64 2HD2 LEU 64 8.305 5.781 -0.232 463 3HD2 LEU 64 3HD2 LEU 64 9.643 6.166 -1.322 464 H LYS 65 H LYS 65 3.219 7.397 -1.875 465 HA LYS 65 HA LYS 65 2.512 9.122 0.418 466 1HB LYS 65 1HB LYS 65 1.082 8.253 -2.159 467 2HB LYS 65 2HB LYS 65 0.486 9.555 -1.148 468 1HG LYS 65 1HG LYS 65 3.055 10.493 -1.666 469 2HG LYS 65 2HG LYS 65 2.847 9.428 -3.069 470 1HD LYS 65 1HD LYS 65 1.065 10.613 -3.968 471 2HD LYS 65 2HD LYS 65 0.454 11.194 -2.416 472 1HE LYS 65 1HE LYS 65 1.960 13.104 -2.464 473 2HE LYS 65 2HE LYS 65 3.113 12.276 -3.526 474 1HZ LYS 65 1HZ LYS 65 0.333 12.775 -4.608 475 2HZ LYS 65 2HZ LYS 65 1.438 13.997 -4.685 476 3HZ LYS 65 3HZ LYS 65 1.698 12.573 -5.434 477 H MET 66 H MET 66 1.357 5.938 -0.633 478 HA MET 66 HA MET 66 -0.879 5.779 1.274 479 1HB MET 66 1HB MET 66 -1.114 4.565 -0.764 480 2HB MET 66 2HB MET 66 0.477 3.843 -0.650 481 1HG MET 66 1HG MET 66 -1.306 2.991 1.608 482 2HG MET 66 2HG MET 66 -1.878 2.495 0.004 483 1HE MET 66 1HE MET 66 0.069 1.683 -1.888 484 2HE MET 66 2HE MET 66 0.587 0.051 -1.373 485 3HE MET 66 3HE MET 66 -1.128 0.537 -1.211 486 H MET 67 H MET 67 2.242 3.995 1.272 487 HA MET 67 HA MET 67 1.957 2.819 4.003 488 1HB MET 67 1HB MET 67 4.056 1.885 3.677 489 2HB MET 67 2HB MET 67 3.586 2.149 2.008 490 1HG MET 67 1HG MET 67 5.253 3.675 1.584 491 2HG MET 67 2HG MET 67 5.076 4.503 3.142 492 1HE MET 67 1HE MET 67 7.563 4.342 1.952 493 2HE MET 67 2HE MET 67 8.051 4.466 3.671 494 3HE MET 67 3HE MET 67 8.799 3.227 2.619 495 H GLU 68 H GLU 68 3.242 5.932 2.789 496 HA GLU 68 HA GLU 68 3.818 7.045 5.417 497 1HB GLU 68 1HB GLU 68 4.584 8.035 3.310 498 2HB GLU 68 2HB GLU 68 2.965 8.467 2.850 499 1HG GLU 68 1HG GLU 68 4.537 10.351 3.828 500 2HG GLU 68 2HG GLU 68 2.871 10.331 4.377 501 H GLY 69 H GLY 69 0.808 7.604 3.561 502 1HA GLY 69 1HA GLY 69 -1.525 7.679 4.303 503 2HA GLY 69 2HA GLY 69 -0.953 6.360 5.331 504 H VAL 70 H VAL 70 -2.443 6.840 6.902 505 HA VAL 70 HA VAL 70 -2.102 9.439 8.490 506 HB VAL 70 HB VAL 70 -4.505 7.682 7.893 507 1HG1 VAL 70 1HG1 VAL 70 -4.353 9.630 10.305 508 2HG1 VAL 70 2HG1 VAL 70 -5.854 8.914 9.663 509 3HG1 VAL 70 3HG1 VAL 70 -4.627 7.873 10.387 510 1HG2 VAL 70 1HG2 VAL 70 -4.118 9.742 6.480 511 2HG2 VAL 70 2HG2 VAL 70 -5.612 9.876 7.394 512 3HG2 VAL 70 3HG2 VAL 70 -4.159 10.774 7.926 513 H GLN 71 H GLN 71 -2.178 9.343 10.789 514 HA GLN 71 HA GLN 71 -0.092 7.393 11.573 515 1HB GLN 71 1HB GLN 71 -1.106 10.038 12.532 516 2HB GLN 71 2HB GLN 71 -0.427 9.023 13.802 517 1HG GLN 71 1HG GLN 71 1.231 9.121 11.276 518 2HG GLN 71 2HG GLN 71 1.054 10.690 12.039 519 1HE2 GLN 71 1HE2 GLN 71 3.232 9.808 14.739 520 2HE2 GLN 71 2HE2 GLN 71 1.929 10.972 14.133 521 1HN NH2 72 1HN NH2 72 -0.796 5.295 12.075 522 2HN NH2 72 2HN NH2 72 -1.994 4.914 13.340 No H/Q in entry = 522 Start of MODEL 4 1 1H ACE 1 1HH3 ACE 1 19.294 10.240 1.416 2 2H ACE 1 2HH3 ACE 1 20.015 11.670 0.595 3 3H ACE 1 3HH3 ACE 1 18.370 11.753 1.287 4 H LYS 2 H LYS 2 20.206 9.962 -1.267 5 HA LYS 2 HA LYS 2 17.708 9.524 -2.837 6 1HB LYS 2 1HB LYS 2 20.199 7.954 -3.484 7 2HB LYS 2 2HB LYS 2 19.069 8.704 -4.589 8 1HG LYS 2 1HG LYS 2 21.240 10.163 -2.870 9 2HG LYS 2 2HG LYS 2 21.396 9.774 -4.564 10 1HD LYS 2 1HD LYS 2 19.104 11.580 -3.556 11 2HD LYS 2 2HD LYS 2 20.707 12.241 -3.880 12 1HE LYS 2 1HE LYS 2 20.659 11.413 -6.236 13 2HE LYS 2 2HE LYS 2 19.079 10.644 -6.003 14 1HZ LYS 2 1HZ LYS 2 18.651 13.234 -5.075 15 2HZ LYS 2 2HZ LYS 2 19.656 13.586 -6.223 16 3HZ LYS 2 3HZ LYS 2 18.230 12.810 -6.578 17 H SER 3 H SER 3 17.324 8.507 -0.345 18 HA SER 3 HA SER 3 18.053 5.591 -0.195 19 1HB SER 3 1HB SER 3 16.975 7.674 1.760 20 2HB SER 3 2HB SER 3 17.065 5.994 2.233 21 HG SER 3 HG SER 3 19.074 7.867 1.791 22 H GLU 4 H GLU 4 16.712 4.576 -1.675 23 HA GLU 4 HA GLU 4 13.879 4.104 -0.740 24 1HB GLU 4 1HB GLU 4 12.726 4.276 -2.750 25 2HB GLU 4 2HB GLU 4 13.625 5.748 -2.470 26 1HG GLU 4 1HG GLU 4 15.368 4.609 -4.266 27 2HG GLU 4 2HG GLU 4 13.925 3.725 -4.747 28 H GLU 5 H GLU 5 16.686 2.751 -0.992 29 HA GLU 5 HA GLU 5 16.430 0.507 -2.755 30 1HB GLU 5 1HB GLU 5 18.311 -0.046 -0.651 31 2HB GLU 5 2HB GLU 5 18.594 0.492 -2.369 32 1HG GLU 5 1HG GLU 5 18.517 2.900 -1.487 33 2HG GLU 5 2HG GLU 5 18.480 2.265 0.148 34 H GLU 6 H GLU 6 16.159 0.277 0.821 35 HA GLU 6 HA GLU 6 15.098 -2.438 0.761 36 1HB GLU 6 1HB GLU 6 16.264 -1.890 2.677 37 2HB GLU 6 2HB GLU 6 15.477 -0.358 2.907 38 1HG GLU 6 1HG GLU 6 13.680 -1.296 4.146 39 2HG GLU 6 2HG GLU 6 13.696 -2.817 3.271 40 H LEU 7 H LEU 7 13.394 0.630 0.777 41 HA LEU 7 HA LEU 7 10.587 -0.389 1.013 42 1HB LEU 7 1HB LEU 7 11.788 2.160 -0.188 43 2HB LEU 7 2HB LEU 7 10.075 1.825 -0.255 44 HG LEU 7 HG LEU 7 11.458 3.177 1.808 45 1HD1 LEU 7 1HD1 LEU 7 9.108 3.568 1.091 46 2HD1 LEU 7 2HD1 LEU 7 8.589 2.017 1.801 47 3HD1 LEU 7 3HD1 LEU 7 9.185 3.335 2.844 48 1HD2 LEU 7 1HD2 LEU 7 10.483 0.422 2.871 49 2HD2 LEU 7 2HD2 LEU 7 12.149 1.061 2.930 50 3HD2 LEU 7 3HD2 LEU 7 10.882 1.832 3.888 51 H ALA 8 H ALA 8 12.819 0.076 -1.735 52 HA ALA 8 HA ALA 8 10.986 -1.005 -3.759 53 1HB ALA 8 1HB ALA 8 14.056 -0.614 -3.759 54 2HB ALA 8 2HB ALA 8 13.068 -0.944 -5.196 55 3HB ALA 8 3HB ALA 8 12.828 0.557 -4.294 56 H ASN 9 H ASN 9 13.831 -2.612 -2.236 57 HA ASN 9 HA ASN 9 13.423 -5.376 -2.910 58 1HB ASN 9 1HB ASN 9 14.188 -4.089 -0.201 59 2HB ASN 9 2HB ASN 9 14.206 -5.813 -0.452 60 1HD2 ASN 9 1HD2 ASN 9 17.646 -4.814 -1.122 61 2HD2 ASN 9 2HD2 ASN 9 16.501 -5.088 0.266 62 H ALA 10 H ALA 10 11.741 -3.693 -0.228 63 HA ALA 10 HA ALA 10 9.844 -5.829 0.439 64 1HB ALA 10 1HB ALA 10 10.526 -3.953 1.948 65 2HB ALA 10 2HB ALA 10 9.655 -2.776 0.930 66 3HB ALA 10 3HB ALA 10 8.759 -4.038 1.803 67 H PHE 11 H PHE 11 9.483 -3.071 -1.777 68 HA PHE 11 HA PHE 11 6.639 -3.445 -2.390 69 1HB PHE 11 1HB PHE 11 7.915 -1.301 -2.617 70 2HB PHE 11 2HB PHE 11 8.829 -1.956 -3.934 71 HD1 PHE 11 HD1 PHE 11 5.320 -0.898 -3.028 72 HD2 PHE 11 HD2 PHE 11 8.048 -1.871 -6.210 73 HE1 PHE 11 HE1 PHE 11 3.761 0.064 -4.675 74 HE2 PHE 11 HE2 PHE 11 6.461 -0.938 -7.842 75 HZ PHE 11 HZ PHE 11 4.352 0.081 -7.079 76 H ARG 12 H ARG 12 9.518 -4.606 -4.182 77 HA ARG 12 HA ARG 12 7.963 -6.321 -5.998 78 1HB ARG 12 1HB ARG 12 10.093 -5.837 -6.808 79 2HB ARG 12 2HB ARG 12 10.890 -6.051 -5.254 80 1HG ARG 12 1HG ARG 12 10.582 -8.567 -5.440 81 2HG ARG 12 2HG ARG 12 9.752 -8.365 -6.988 82 1HD ARG 12 1HD ARG 12 12.652 -7.405 -6.479 83 2HD ARG 12 2HD ARG 12 12.243 -9.001 -7.167 84 HE ARG 12 HE ARG 12 11.165 -7.834 -9.143 85 1HH1 ARG 12 2HH1 ARG 12 13.040 -5.754 -7.101 86 2HH1 ARG 12 1HH1 ARG 12 13.218 -4.492 -8.413 87 1HH2 ARG 12 1HH2 ARG 12 11.388 -6.421 -10.599 88 2HH2 ARG 12 2HH2 ARG 12 12.307 -4.872 -10.310 89 H ILE 13 H ILE 13 9.371 -6.964 -2.784 90 HA ILE 13 HA ILE 13 9.264 -9.932 -3.070 91 HB ILE 13 HB ILE 13 10.035 -8.111 -0.737 92 1HG1 ILE 13 1HG1 ILE 13 11.614 -8.715 -2.904 93 2HG1 ILE 13 2HG1 ILE 13 12.240 -8.371 -1.314 94 1HG2 ILE 13 1HG2 ILE 13 9.063 -10.207 0.283 95 2HG2 ILE 13 2HG2 ILE 13 10.118 -11.219 -0.731 96 3HG2 ILE 13 3HG2 ILE 13 10.799 -10.177 0.534 97 1HD1 ILE 13 1HD1 ILE 13 12.402 -10.816 -0.738 98 2HD1 ILE 13 2HD1 ILE 13 11.831 -11.233 -2.373 99 3HD1 ILE 13 3HD1 ILE 13 13.369 -10.373 -2.163 100 H PHE 14 H PHE 14 7.247 -7.490 -1.565 101 HA PHE 14 HA PHE 14 5.053 -9.216 -0.489 102 1HB PHE 14 1HB PHE 14 5.090 -6.384 -1.720 103 2HB PHE 14 2HB PHE 14 3.622 -7.148 -1.207 104 HD1 PHE 14 HD1 PHE 14 6.348 -8.090 1.007 105 HD2 PHE 14 HD2 PHE 14 3.517 -4.964 0.197 106 HE1 PHE 14 HE1 PHE 14 6.667 -7.209 3.284 107 HE2 PHE 14 HE2 PHE 14 3.856 -4.074 2.468 108 HZ PHE 14 HZ PHE 14 5.401 -5.224 4.034 109 H ASP 15 H ASP 15 5.493 -7.599 -3.658 110 HA ASP 15 HA ASP 15 2.992 -8.736 -4.692 111 1HB ASP 15 1HB ASP 15 3.813 -6.403 -5.100 112 2HB ASP 15 2HB ASP 15 5.140 -7.007 -6.079 113 H LYS 16 H LYS 16 2.637 -10.001 -6.682 114 HA LYS 16 HA LYS 16 4.710 -12.211 -6.813 115 1HB LYS 16 1HB LYS 16 1.779 -13.025 -6.585 116 2HB LYS 16 2HB LYS 16 3.199 -13.991 -6.294 117 1HG LYS 16 1HG LYS 16 3.274 -13.366 -4.032 118 2HG LYS 16 2HG LYS 16 2.910 -11.681 -4.383 119 1HD LYS 16 1HD LYS 16 1.016 -12.415 -3.130 120 2HD LYS 16 2HD LYS 16 0.479 -12.354 -4.808 121 1HE LYS 16 1HE LYS 16 1.278 -15.007 -4.711 122 2HE LYS 16 2HE LYS 16 0.688 -14.790 -3.050 123 1HZ LYS 16 1HZ LYS 16 -1.147 -13.365 -4.618 124 2HZ LYS 16 2HZ LYS 16 -0.909 -14.701 -5.545 125 3HZ LYS 16 3HZ LYS 16 -1.450 -14.837 -3.990 126 H ASN 17 H ASN 17 3.329 -9.984 -8.607 127 HA ASN 17 HA ASN 17 2.737 -11.391 -11.151 128 1HB ASN 17 1HB ASN 17 0.656 -11.316 -9.009 129 2HB ASN 17 2HB ASN 17 0.072 -10.758 -10.553 130 1HD2 ASN 17 1HD2 ASN 17 -0.402 -14.477 -10.112 131 2HD2 ASN 17 2HD2 ASN 17 -0.412 -13.230 -8.821 132 H ALA 18 H ALA 18 3.672 -9.621 -12.181 133 HA ALA 18 HA ALA 18 4.203 -7.354 -12.809 134 1HB ALA 18 1HB ALA 18 1.753 -7.224 -13.400 135 2HB ALA 18 2HB ALA 18 1.381 -6.757 -11.726 136 3HB ALA 18 3HB ALA 18 2.353 -5.677 -12.740 137 H ASP 19 H ASP 19 5.654 -7.903 -10.766 138 HA ASP 19 HA ASP 19 5.650 -6.339 -8.417 139 1HB ASP 19 1HB ASP 19 8.131 -6.442 -8.511 140 2HB ASP 19 2HB ASP 19 7.424 -7.967 -9.026 141 H GLY 20 H GLY 20 5.534 -5.021 -11.574 142 1HA GLY 20 1HA GLY 20 6.532 -2.270 -11.267 143 2HA GLY 20 2HA GLY 20 5.188 -2.745 -12.313 144 H TYR 21 H TYR 21 3.169 -3.453 -10.721 145 HA TYR 21 HA TYR 21 2.532 -0.849 -9.198 146 1HB TYR 21 1HB TYR 21 0.445 -2.378 -10.859 147 2HB TYR 21 2HB TYR 21 0.271 -0.828 -10.090 148 HD1 TYR 21 HD1 TYR 21 3.448 -0.422 -11.366 149 HD2 TYR 21 HD2 TYR 21 -0.586 -0.863 -12.792 150 HE1 TYR 21 HE1 TYR 21 4.063 0.684 -13.479 151 HE2 TYR 21 HE2 TYR 21 0.064 0.237 -14.909 152 HH TYR 21 HH TYR 21 1.867 1.969 -15.534 153 H ILE 22 H ILE 22 1.294 -1.039 -7.340 154 HA ILE 22 HA ILE 22 0.254 -3.790 -6.496 155 HB ILE 22 HB ILE 22 0.692 -1.271 -4.804 156 1HG1 ILE 22 1HG1 ILE 22 2.326 -3.867 -5.039 157 2HG1 ILE 22 2HG1 ILE 22 2.882 -2.224 -5.200 158 1HG2 ILE 22 1HG2 ILE 22 -1.258 -2.613 -3.896 159 2HG2 ILE 22 2HG2 ILE 22 -0.255 -4.075 -3.850 160 3HG2 ILE 22 3HG2 ILE 22 0.101 -2.690 -2.788 161 1HD1 ILE 22 1HD1 ILE 22 2.463 -1.782 -2.726 162 2HD1 ILE 22 2HD1 ILE 22 2.090 -3.513 -2.526 163 3HD1 ILE 22 3HD1 ILE 22 3.706 -3.013 -3.066 164 H ASP 23 H ASP 23 -1.883 -4.030 -5.694 165 HA ASP 23 HA ASP 23 -3.897 -2.117 -6.981 166 1HB ASP 23 1HB ASP 23 -5.172 -3.990 -7.901 167 2HB ASP 23 2HB ASP 23 -3.503 -4.142 -8.433 168 H ILE 24 H ILE 24 -6.201 -2.611 -6.164 169 HA ILE 24 HA ILE 24 -6.120 -1.873 -3.246 170 HB ILE 24 HB ILE 24 -7.761 -0.973 -5.131 171 1HG1 ILE 24 1HG1 ILE 24 -9.286 -1.428 -2.534 172 2HG1 ILE 24 2HG1 ILE 24 -7.742 -0.632 -2.394 173 1HG2 ILE 24 1HG2 ILE 24 -8.861 -3.187 -5.705 174 2HG2 ILE 24 2HG2 ILE 24 -9.445 -3.344 -4.036 175 3HG2 ILE 24 3HG2 ILE 24 -10.054 -2.050 -5.100 176 1HD1 ILE 24 1HD1 ILE 24 -8.441 1.136 -4.088 177 2HD1 ILE 24 2HD1 ILE 24 -10.083 0.446 -4.066 178 3HD1 ILE 24 3HD1 ILE 24 -9.393 1.132 -2.580 179 H GLU 25 H GLU 25 -6.769 -4.735 -5.141 180 HA GLU 25 HA GLU 25 -8.081 -6.264 -2.916 181 1HB GLU 25 1HB GLU 25 -9.017 -6.744 -4.981 182 2HB GLU 25 2HB GLU 25 -7.499 -6.835 -5.823 183 1HG GLU 25 1HG GLU 25 -7.965 -9.122 -5.798 184 2HG GLU 25 2HG GLU 25 -7.178 -9.078 -4.231 185 H GLU 26 H GLU 26 -4.855 -6.093 -4.269 186 HA GLU 26 HA GLU 26 -3.761 -8.325 -2.588 187 1HB GLU 26 1HB GLU 26 -2.462 -6.369 -4.517 188 2HB GLU 26 2HB GLU 26 -1.491 -7.392 -3.503 189 1HG GLU 26 1HG GLU 26 -2.582 -9.464 -4.576 190 2HG GLU 26 2HG GLU 26 -3.521 -8.413 -5.620 191 H LEU 27 H LEU 27 -4.175 -4.915 -2.150 192 HA LEU 27 HA LEU 27 -2.070 -4.176 -0.220 193 1HB LEU 27 1HB LEU 27 -3.603 -2.579 -1.375 194 2HB LEU 27 2HB LEU 27 -4.969 -3.192 -0.480 195 HG LEU 27 HG LEU 27 -2.587 -1.992 1.040 196 1HD1 LEU 27 1HD1 LEU 27 -3.223 -0.324 -0.705 197 2HD1 LEU 27 2HD1 LEU 27 -4.928 -0.366 -0.176 198 3HD1 LEU 27 3HD1 LEU 27 -3.645 0.244 0.909 199 1HD2 LEU 27 1HD2 LEU 27 -5.624 -2.101 1.707 200 2HD2 LEU 27 2HD2 LEU 27 -4.351 -3.134 2.424 201 3HD2 LEU 27 3HD2 LEU 27 -4.339 -1.393 2.725 202 H GLY 28 H GLY 28 -5.413 -4.560 0.895 203 1HA GLY 28 1HA GLY 28 -5.165 -5.179 3.547 204 2HA GLY 28 2HA GLY 28 -6.376 -6.061 2.609 205 H GLU 29 H GLU 29 -4.691 -7.737 1.098 206 HA GLU 29 HA GLU 29 -4.290 -9.919 3.053 207 1HB GLU 29 1HB GLU 29 -3.716 -9.902 0.055 208 2HB GLU 29 2HB GLU 29 -3.684 -11.319 1.060 209 1HG GLU 29 1HG GLU 29 -6.295 -10.447 1.580 210 2HG GLU 29 2HG GLU 29 -6.081 -9.813 -0.042 211 H ILE 30 H ILE 30 -2.033 -7.817 1.388 212 HA ILE 30 HA ILE 30 0.525 -8.897 2.476 213 HB ILE 30 HB ILE 30 -0.335 -6.099 1.610 214 1HG1 ILE 30 1HG1 ILE 30 0.191 -7.414 -0.348 215 2HG1 ILE 30 2HG1 ILE 30 1.560 -6.369 -0.084 216 1HG2 ILE 30 1HG2 ILE 30 1.269 -5.765 3.527 217 2HG2 ILE 30 2HG2 ILE 30 2.456 -6.842 2.746 218 3HG2 ILE 30 3HG2 ILE 30 2.015 -5.276 2.009 219 1HD1 ILE 30 1HD1 ILE 30 1.607 -9.361 0.696 220 2HD1 ILE 30 2HD1 ILE 30 2.362 -8.601 -0.720 221 3HD1 ILE 30 3HD1 ILE 30 2.932 -8.187 0.908 222 H LEU 31 H LEU 31 -1.639 -6.302 3.734 223 HA LEU 31 HA LEU 31 0.132 -5.763 6.056 224 1HB LEU 31 1HB LEU 31 -2.747 -4.875 6.168 225 2HB LEU 31 2HB LEU 31 -1.299 -4.012 6.624 226 HG LEU 31 HG LEU 31 -1.138 -4.345 3.756 227 1HD1 LEU 31 1HD1 LEU 31 -3.932 -3.406 4.696 228 2HD1 LEU 31 2HD1 LEU 31 -3.277 -3.210 3.048 229 3HD1 LEU 31 3HD1 LEU 31 -3.540 -4.832 3.695 230 1HD2 LEU 31 1HD2 LEU 31 -1.824 -1.866 5.493 231 2HD2 LEU 31 2HD2 LEU 31 -0.204 -2.358 4.926 232 3HD2 LEU 31 3HD2 LEU 31 -1.413 -1.811 3.759 233 H ARG 32 H ARG 32 -2.588 -7.904 5.632 234 HA ARG 32 HA ARG 32 -2.663 -8.556 8.626 235 1HB ARG 32 1HB ARG 32 -4.652 -8.407 6.318 236 2HB ARG 32 2HB ARG 32 -5.062 -9.413 7.707 237 1HG ARG 32 1HG ARG 32 -4.917 -7.421 9.219 238 2HG ARG 32 2HG ARG 32 -4.227 -6.442 7.911 239 1HD ARG 32 1HD ARG 32 -6.332 -6.551 6.592 240 2HD ARG 32 2HD ARG 32 -7.037 -7.740 7.710 241 HE ARG 32 HE ARG 32 -6.413 -5.603 9.452 242 1HH1 ARG 32 2HH1 ARG 32 -8.242 -5.700 6.500 243 2HH1 ARG 32 1HH1 ARG 32 -9.291 -4.296 7.017 244 1HH2 ARG 32 1HH2 ARG 32 -7.607 -4.019 9.996 245 2HH2 ARG 32 2HH2 ARG 32 -8.925 -3.399 8.898 246 H ALA 33 H ALA 33 -2.481 -10.078 5.427 247 HA ALA 33 HA ALA 33 -3.066 -12.800 6.568 248 1HB ALA 33 1HB ALA 33 -4.397 -11.857 4.686 249 2HB ALA 33 2HB ALA 33 -2.941 -11.761 3.659 250 3HB ALA 33 3HB ALA 33 -3.572 -13.340 4.176 251 H THR 34 H THR 34 -1.525 -14.264 7.047 252 HA THR 34 HA THR 34 1.088 -14.467 5.659 253 HB THR 34 HB THR 34 0.508 -15.190 8.095 254 HG1 THR 34 HG1 THR 34 2.024 -16.815 8.069 255 1HG2 THR 34 2HG2 THR 34 -1.431 -16.748 7.408 256 2HG2 THR 34 3HG2 THR 34 -0.237 -17.836 6.657 257 3HG2 THR 34 1HG2 THR 34 -0.199 -17.560 8.407 258 H GLY 35 H GLY 35 1.582 -15.591 3.784 259 1HA GLY 35 1HA GLY 35 0.404 -18.377 3.407 260 2HA GLY 35 2HA GLY 35 0.120 -17.233 2.091 261 1HN NH2 36 1HN NH2 36 3.251 -16.815 3.674 262 2HN NH2 36 2HN NH2 36 4.232 -17.681 2.461 263 1H ACE 37 1HH3 ACE 37 -12.066 -3.640 14.531 264 2H ACE 37 2HH3 ACE 37 -13.367 -2.770 13.647 265 3H ACE 37 3HH3 ACE 37 -13.769 -4.136 14.720 266 H VAL 38 H VAL 38 -11.676 -3.474 11.881 267 HA VAL 38 HA VAL 38 -11.257 -4.734 9.871 268 HB VAL 38 HB VAL 38 -12.470 -7.239 11.061 269 1HG1 VAL 38 1HG1 VAL 38 -9.867 -6.676 9.461 270 2HG1 VAL 38 2HG1 VAL 38 -10.345 -8.282 10.058 271 3HG1 VAL 38 3HG1 VAL 38 -11.336 -7.458 8.850 272 1HG2 VAL 38 1HG2 VAL 38 -11.229 -6.261 13.041 273 2HG2 VAL 38 2HG2 VAL 38 -10.381 -7.690 12.411 274 3HG2 VAL 38 3HG2 VAL 38 -9.777 -6.058 12.037 275 H THR 39 H THR 39 -12.699 -3.578 8.656 276 HA THR 39 HA THR 39 -14.849 -5.270 7.468 277 HB THR 39 HB THR 39 -16.726 -3.801 7.524 278 HG1 THR 39 HG1 THR 39 -16.592 -1.811 8.723 279 1HG2 THR 39 2HG2 THR 39 -15.415 -3.721 10.333 280 2HG2 THR 39 3HG2 THR 39 -17.146 -3.468 9.997 281 3HG2 THR 39 1HG2 THR 39 -16.402 -5.050 9.679 282 H GLU 40 H GLU 40 -15.451 -4.492 5.308 283 HA GLU 40 HA GLU 40 -12.948 -3.691 3.864 284 1HB GLU 40 1HB GLU 40 -13.832 -4.582 1.934 285 2HB GLU 40 2HB GLU 40 -14.437 -5.624 3.186 286 1HG GLU 40 1HG GLU 40 -16.696 -4.167 3.000 287 2HG GLU 40 2HG GLU 40 -16.031 -3.616 1.473 288 H GLU 41 H GLU 41 -15.918 -2.038 4.704 289 HA GLU 41 HA GLU 41 -15.620 0.293 3.059 290 1HB GLU 41 1HB GLU 41 -16.894 -0.082 5.790 291 2HB GLU 41 2HB GLU 41 -16.873 1.484 5.038 292 1HG GLU 41 1HG GLU 41 -19.038 0.089 4.714 293 2HG GLU 41 2HG GLU 41 -18.383 0.787 3.244 294 H ASP 42 H ASP 42 -13.934 -0.383 6.078 295 HA ASP 42 HA ASP 42 -12.524 2.215 6.412 296 1HB ASP 42 1HB ASP 42 -12.115 -0.631 7.473 297 2HB ASP 42 2HB ASP 42 -10.881 0.590 7.749 298 H ILE 43 H ILE 43 -11.636 -0.813 4.760 299 HA ILE 43 HA ILE 43 -9.086 0.110 3.537 300 HB ILE 43 HB ILE 43 -11.038 -2.103 2.776 301 1HG1 ILE 43 1HG1 ILE 43 -9.704 -3.112 4.396 302 2HG1 ILE 43 2HG1 ILE 43 -8.723 -3.448 2.995 303 1HG2 ILE 43 1HG2 ILE 43 -10.178 -1.231 0.568 304 2HG2 ILE 43 2HG2 ILE 43 -8.503 -1.345 1.145 305 3HG2 ILE 43 3HG2 ILE 43 -9.482 -2.812 0.892 306 1HD1 ILE 43 1HD1 ILE 43 -7.230 -1.459 3.467 307 2HD1 ILE 43 2HD1 ILE 43 -8.118 -1.179 4.988 308 3HD1 ILE 43 3HD1 ILE 43 -7.221 -2.693 4.746 309 H GLU 44 H GLU 44 -12.496 0.387 2.495 310 HA GLU 44 HA GLU 44 -11.810 1.371 -0.254 311 1HB GLU 44 1HB GLU 44 -14.278 0.559 1.171 312 2HB GLU 44 2HB GLU 44 -14.531 1.910 0.109 313 1HG GLU 44 1HG GLU 44 -13.033 -0.064 -1.443 314 2HG GLU 44 2HG GLU 44 -14.280 -0.945 -0.580 315 H ASP 45 H ASP 45 -12.810 2.860 2.778 316 HA ASP 45 HA ASP 45 -12.875 5.667 1.689 317 1HB ASP 45 1HB ASP 45 -13.139 4.523 4.537 318 2HB ASP 45 2HB ASP 45 -13.207 6.245 4.189 319 H LEU 46 H LEU 46 -10.535 3.631 3.360 320 HA LEU 46 HA LEU 46 -8.358 5.627 3.628 321 1HB LEU 46 1HB LEU 46 -8.443 3.421 4.779 322 2HB LEU 46 2HB LEU 46 -8.230 2.574 3.265 323 HG LEU 46 HG LEU 46 -6.064 4.549 4.181 324 1HD1 LEU 46 1HD1 LEU 46 -6.597 1.744 5.273 325 2HD1 LEU 46 2HD1 LEU 46 -4.952 2.393 5.208 326 3HD1 LEU 46 3HD1 LEU 46 -6.197 3.230 6.181 327 1HD2 LEU 46 1HD2 LEU 46 -6.042 3.407 1.841 328 2HD2 LEU 46 2HD2 LEU 46 -4.557 3.200 2.815 329 3HD2 LEU 46 3HD2 LEU 46 -5.754 1.879 2.675 330 H MET 47 H MET 47 -8.799 3.259 0.967 331 HA MET 47 HA MET 47 -6.908 4.756 -0.788 332 1HB MET 47 1HB MET 47 -7.181 2.224 -0.743 333 2HB MET 47 2HB MET 47 -8.750 2.405 -1.509 334 1HG MET 47 1HG MET 47 -7.857 2.665 -3.612 335 2HG MET 47 2HG MET 47 -6.676 3.868 -3.061 336 1HE MET 47 1HE MET 47 -6.695 1.224 -5.106 337 2HE MET 47 2HE MET 47 -5.364 2.417 -5.131 338 3HE MET 47 3HE MET 47 -4.989 0.678 -4.954 339 H LYS 48 H LYS 48 -10.119 5.510 -0.084 340 HA LYS 48 HA LYS 48 -10.255 7.177 -2.623 341 1HB LYS 48 1HB LYS 48 -12.154 6.450 -0.373 342 2HB LYS 48 2HB LYS 48 -12.512 7.907 -1.248 343 1HG LYS 48 1HG LYS 48 -13.713 5.720 -2.048 344 2HG LYS 48 2HG LYS 48 -12.995 6.696 -3.291 345 1HD LYS 48 1HD LYS 48 -11.251 5.237 -3.794 346 2HD LYS 48 2HD LYS 48 -11.149 4.510 -2.225 347 1HE LYS 48 1HE LYS 48 -12.040 2.798 -3.755 348 2HE LYS 48 2HE LYS 48 -13.388 3.273 -2.736 349 1HZ LYS 48 1HZ LYS 48 -13.613 5.103 -4.842 350 2HZ LYS 48 2HZ LYS 48 -13.205 3.699 -5.620 351 3HZ LYS 48 3HZ LYS 48 -14.505 3.810 -4.640 352 H ASP 49 H ASP 49 -9.570 7.466 0.800 353 HA ASP 49 HA ASP 49 -9.624 10.485 0.919 354 1HB ASP 49 1HB ASP 49 -10.162 9.037 2.930 355 2HB ASP 49 2HB ASP 49 -8.497 8.476 2.974 356 H SER 50 H SER 50 -7.147 7.978 0.524 357 HA SER 50 HA SER 50 -4.829 9.928 0.580 358 1HB SER 50 1HB SER 50 -3.423 8.058 0.688 359 2HB SER 50 2HB SER 50 -4.870 7.394 1.441 360 HG SER 50 HG SER 50 -3.867 6.096 -0.232 361 H ASP 51 H ASP 51 -6.953 8.491 -1.751 362 HA ASP 51 HA ASP 51 -4.929 8.045 -3.844 363 1HB ASP 51 1HB ASP 51 -7.056 6.647 -3.205 364 2HB ASP 51 2HB ASP 51 -7.973 7.762 -4.208 365 H LYS 52 H LYS 52 -4.471 9.021 -5.697 366 HA LYS 52 HA LYS 52 -5.513 11.665 -6.656 367 1HB LYS 52 1HB LYS 52 -3.687 9.483 -7.600 368 2HB LYS 52 2HB LYS 52 -4.464 10.328 -8.902 369 1HG LYS 52 1HG LYS 52 -2.240 11.365 -8.434 370 2HG LYS 52 2HG LYS 52 -3.487 12.518 -8.080 371 1HD LYS 52 1HD LYS 52 -2.936 10.991 -5.631 372 2HD LYS 52 2HD LYS 52 -1.428 11.605 -6.222 373 1HE LYS 52 1HE LYS 52 -3.793 13.587 -6.101 374 2HE LYS 52 2HE LYS 52 -3.158 13.004 -4.563 375 1HZ LYS 52 1HZ LYS 52 -0.773 13.649 -5.658 376 2HZ LYS 52 2HZ LYS 52 -1.683 14.693 -6.566 377 3HZ LYS 52 3HZ LYS 52 -1.657 14.748 -4.935 378 H ASN 53 H ASN 53 -6.511 11.446 -9.096 379 HA ASN 53 HA ASN 53 -9.084 10.111 -9.046 380 1HB ASN 53 1HB ASN 53 -9.109 10.717 -11.576 381 2HB ASN 53 2HB ASN 53 -8.871 12.034 -10.461 382 1HD2 ASN 53 1HD2 ASN 53 -5.595 12.744 -11.726 383 2HD2 ASN 53 2HD2 ASN 53 -6.686 12.931 -10.280 384 H ASN 54 H ASN 54 -6.275 9.181 -11.057 385 HA ASN 54 HA ASN 54 -5.289 7.038 -11.469 386 1HB ASN 54 1HB ASN 54 -7.067 6.568 -8.995 387 2HB ASN 54 2HB ASN 54 -6.175 5.239 -9.682 388 1HD2 ASN 54 1HD2 ASN 54 -3.380 7.930 -8.665 389 2HD2 ASN 54 2HD2 ASN 54 -4.520 8.236 -10.054 390 H ASP 55 H ASP 55 -5.610 5.903 -13.248 391 HA ASP 55 HA ASP 55 -8.079 4.884 -14.310 392 1HB ASP 55 1HB ASP 55 -5.138 4.154 -14.762 393 2HB ASP 55 2HB ASP 55 -6.395 3.254 -15.598 394 H GLY 56 H GLY 56 -6.138 3.486 -11.787 395 1HA GLY 56 1HA GLY 56 -8.343 2.485 -10.413 396 2HA GLY 56 2HA GLY 56 -7.921 1.069 -11.388 397 H ARG 57 H ARG 57 -4.989 2.268 -10.891 398 HA ARG 57 HA ARG 57 -4.502 0.495 -8.432 399 1HB ARG 57 1HB ARG 57 -2.685 -0.614 -9.834 400 2HB ARG 57 2HB ARG 57 -4.345 -0.938 -10.330 401 1HG ARG 57 1HG ARG 57 -4.039 1.017 -12.079 402 2HG ARG 57 2HG ARG 57 -2.324 0.988 -11.672 403 1HD ARG 57 1HD ARG 57 -3.967 -1.032 -13.238 404 2HD ARG 57 2HD ARG 57 -2.310 -0.485 -13.489 405 HE ARG 57 HE ARG 57 -1.574 -1.789 -11.366 406 1HH1 ARG 57 2HH1 ARG 57 -4.337 -2.901 -13.138 407 2HH1 ARG 57 1HH1 ARG 57 -4.116 -4.614 -12.501 408 1HH2 ARG 57 1HH2 ARG 57 -1.362 -3.654 -10.708 409 2HH2 ARG 57 2HH2 ARG 57 -2.487 -5.017 -11.188 410 H ILE 58 H ILE 58 -2.328 0.488 -7.567 411 HA ILE 58 HA ILE 58 -1.170 3.293 -7.434 412 HB ILE 58 HB ILE 58 -1.086 0.948 -5.476 413 1HG1 ILE 58 1HG1 ILE 58 -2.292 3.788 -5.250 414 2HG1 ILE 58 2HG1 ILE 58 -3.186 2.302 -5.410 415 1HG2 ILE 58 1HG2 ILE 58 1.182 2.072 -5.379 416 2HG2 ILE 58 2HG2 ILE 58 0.409 3.650 -5.129 417 3HG2 ILE 58 3HG2 ILE 58 0.280 2.372 -3.897 418 1HD1 ILE 58 1HD1 ILE 58 -2.343 1.462 -3.170 419 2HD1 ILE 58 2HD1 ILE 58 -1.529 3.028 -2.919 420 3HD1 ILE 58 3HD1 ILE 58 -3.299 2.962 -3.070 421 H ASP 59 H ASP 59 1.033 3.748 -7.736 422 HA ASP 59 HA ASP 59 2.965 1.391 -8.065 423 1HB ASP 59 1HB ASP 59 4.134 2.679 -9.816 424 2HB ASP 59 2HB ASP 59 2.430 2.526 -10.221 425 H PHE 60 H PHE 60 5.408 2.676 -8.056 426 HA PHE 60 HA PHE 60 5.843 2.230 -5.156 427 1HB PHE 60 1HB PHE 60 7.447 1.738 -7.160 428 2HB PHE 60 2HB PHE 60 7.865 3.420 -7.144 429 HD1 PHE 60 HD1 PHE 60 7.870 3.861 -4.071 430 HD2 PHE 60 HD2 PHE 60 9.643 0.830 -6.545 431 HE1 PHE 60 HE1 PHE 60 9.689 3.603 -2.448 432 HE2 PHE 60 HE2 PHE 60 11.463 0.565 -4.899 433 HZ PHE 60 HZ PHE 60 11.520 1.996 -2.877 434 H ASP 61 H ASP 61 5.345 5.132 -7.030 435 HA ASP 61 HA ASP 61 6.279 7.259 -5.189 436 1HB ASP 61 1HB ASP 61 5.602 8.118 -7.298 437 2HB ASP 61 2HB ASP 61 4.303 6.958 -7.499 438 H GLU 62 H GLU 62 2.940 6.650 -5.856 439 HA GLU 62 HA GLU 62 1.470 7.220 -3.469 440 1HB GLU 62 1HB GLU 62 0.955 4.838 -5.306 441 2HB GLU 62 2HB GLU 62 -0.183 5.490 -4.168 442 1HG GLU 62 1HG GLU 62 -0.155 7.722 -5.508 443 2HG GLU 62 2HG GLU 62 0.880 6.949 -6.693 444 H PHE 63 H PHE 63 3.713 4.503 -3.793 445 HA PHE 63 HA PHE 63 2.826 3.012 -1.327 446 1HB PHE 63 1HB PHE 63 4.225 2.076 -3.304 447 2HB PHE 63 2HB PHE 63 5.583 2.957 -2.692 448 HD1 PHE 63 HD1 PHE 63 3.284 1.334 -0.198 449 HD2 PHE 63 HD2 PHE 63 6.852 0.809 -2.546 450 HE1 PHE 63 HE1 PHE 63 4.123 -0.330 1.416 451 HE2 PHE 63 HE2 PHE 63 7.672 -0.827 -0.926 452 HZ PHE 63 HZ PHE 63 6.369 -1.320 1.119 453 H LEU 64 H LEU 64 5.647 5.100 -2.005 454 HA LEU 64 HA LEU 64 6.620 5.540 0.642 455 1HB LEU 64 1HB LEU 64 6.674 7.380 -1.800 456 2HB LEU 64 2HB LEU 64 7.493 7.821 -0.323 457 HG LEU 64 HG LEU 64 8.121 5.121 -1.622 458 1HD1 LEU 64 1HD1 LEU 64 9.235 7.867 -2.525 459 2HD1 LEU 64 2HD1 LEU 64 9.941 6.287 -2.960 460 3HD1 LEU 64 3HD1 LEU 64 8.303 6.685 -3.485 461 1HD2 LEU 64 1HD2 LEU 64 9.811 7.105 0.072 462 2HD2 LEU 64 2HD2 LEU 64 9.197 5.508 0.587 463 3HD2 LEU 64 3HD2 LEU 64 10.437 5.611 -0.670 464 H LYS 65 H LYS 65 3.902 7.224 -0.862 465 HA LYS 65 HA LYS 65 3.436 8.984 1.549 466 1HB LYS 65 1HB LYS 65 1.903 10.084 0.069 467 2HB LYS 65 2HB LYS 65 3.342 9.719 -0.863 468 1HG LYS 65 1HG LYS 65 2.135 8.260 -2.312 469 2HG LYS 65 2HG LYS 65 1.015 7.750 -1.035 470 1HD LYS 65 1HD LYS 65 0.010 9.296 -2.822 471 2HD LYS 65 2HD LYS 65 -0.316 9.756 -1.148 472 1HE LYS 65 1HE LYS 65 0.192 11.809 -2.391 473 2HE LYS 65 2HE LYS 65 1.621 11.479 -1.394 474 1HZ LYS 65 1HZ LYS 65 1.537 10.257 -4.145 475 2HZ LYS 65 2HZ LYS 65 1.903 11.820 -4.071 476 3HZ LYS 65 3HZ LYS 65 2.866 10.712 -3.320 477 H MET 66 H MET 66 2.065 5.984 0.214 478 HA MET 66 HA MET 66 -0.087 5.705 2.172 479 1HB MET 66 1HB MET 66 0.015 4.459 0.016 480 2HB MET 66 2HB MET 66 1.441 3.591 0.543 481 1HG MET 66 1HG MET 66 0.263 2.231 2.133 482 2HG MET 66 2HG MET 66 -1.152 3.301 2.170 483 1HE MET 66 1HE MET 66 1.121 1.145 -0.266 484 2HE MET 66 2HE MET 66 0.093 1.104 -1.729 485 3HE MET 66 3HE MET 66 0.769 2.659 -1.156 486 H MET 67 H MET 67 3.003 3.770 2.235 487 HA MET 67 HA MET 67 3.174 3.202 5.029 488 1HB MET 67 1HB MET 67 4.904 2.715 3.066 489 2HB MET 67 2HB MET 67 5.614 4.257 3.499 490 1HG MET 67 1HG MET 67 6.943 2.927 4.853 491 2HG MET 67 2HG MET 67 5.633 3.208 6.016 492 1HE MET 67 1HE MET 67 7.944 1.173 4.946 493 2HE MET 67 2HE MET 67 7.426 -0.459 5.474 494 3HE MET 67 3HE MET 67 7.309 -0.001 3.748 495 H GLU 68 H GLU 68 4.584 6.142 3.542 496 HA GLU 68 HA GLU 68 4.947 7.303 6.325 497 1HB GLU 68 1HB GLU 68 6.745 6.868 4.021 498 2HB GLU 68 2HB GLU 68 6.923 8.457 4.700 499 1HG GLU 68 1HG GLU 68 7.383 5.761 6.143 500 2HG GLU 68 2HG GLU 68 8.584 6.985 5.770 501 H GLY 69 H GLY 69 2.878 7.959 3.985 502 1HA GLY 69 1HA GLY 69 2.791 10.978 4.583 503 2HA GLY 69 2HA GLY 69 1.789 10.199 3.353 504 H VAL 70 H VAL 70 0.460 11.745 4.911 505 HA VAL 70 HA VAL 70 -0.565 10.245 7.389 506 HB VAL 70 HB VAL 70 0.864 12.392 7.644 507 1HG1 VAL 70 1HG1 VAL 70 -1.812 13.754 6.858 508 2HG1 VAL 70 2HG1 VAL 70 -0.433 14.579 7.630 509 3HG1 VAL 70 3HG1 VAL 70 -0.258 13.915 6.004 510 1HG2 VAL 70 1HG2 VAL 70 -0.450 11.403 9.563 511 2HG2 VAL 70 2HG2 VAL 70 -0.422 13.157 9.656 512 3HG2 VAL 70 3HG2 VAL 70 -1.894 12.319 9.082 513 H GLN 71 H GLN 71 -2.697 10.053 7.743 514 HA GLN 71 HA GLN 71 -4.368 9.497 5.598 515 1HB GLN 71 1HB GLN 71 -6.318 9.496 7.267 516 2HB GLN 71 2HB GLN 71 -4.909 8.513 7.658 517 1HG GLN 71 1HG GLN 71 -4.190 10.027 9.404 518 2HG GLN 71 2HG GLN 71 -5.112 11.387 8.790 519 1HE2 GLN 71 1HE2 GLN 71 -6.788 8.912 11.499 520 2HE2 GLN 71 2HE2 GLN 71 -5.118 8.595 10.772 521 1HN NH2 72 1HN NH2 72 -5.394 10.629 3.973 522 2HN NH2 72 2HN NH2 72 -5.970 12.314 4.092 No H/Q in entry = 522 Start of MODEL 5 1 1H ACE 1 1HH3 ACE 1 20.913 11.143 0.569 2 2H ACE 1 2HH3 ACE 1 20.683 11.248 -1.213 3 3H ACE 1 3HH3 ACE 1 20.108 12.559 -0.145 4 H LYS 2 H LYS 2 19.685 8.972 -0.180 5 HA LYS 2 HA LYS 2 16.697 9.193 -0.009 6 1HB LYS 2 1HB LYS 2 18.098 8.727 -2.678 7 2HB LYS 2 2HB LYS 2 16.503 8.053 -2.425 8 1HG LYS 2 1HG LYS 2 15.936 10.684 -1.745 9 2HG LYS 2 2HG LYS 2 17.407 10.999 -2.630 10 1HD LYS 2 1HD LYS 2 16.458 10.439 -4.720 11 2HD LYS 2 2HD LYS 2 15.378 9.214 -4.051 12 1HE LYS 2 1HE LYS 2 13.934 11.027 -4.694 13 2HE LYS 2 2HE LYS 2 13.994 11.122 -2.924 14 1HZ LYS 2 1HZ LYS 2 15.872 12.815 -4.658 15 2HZ LYS 2 2HZ LYS 2 14.406 13.315 -4.193 16 3HZ LYS 2 3HZ LYS 2 15.465 13.074 -3.067 17 H SER 3 H SER 3 17.254 7.777 1.730 18 HA SER 3 HA SER 3 18.297 5.015 1.116 19 1HB SER 3 1HB SER 3 18.164 6.879 3.411 20 2HB SER 3 2HB SER 3 17.825 5.240 3.911 21 HG SER 3 HG SER 3 19.938 5.504 2.096 22 H GLU 4 H GLU 4 16.147 4.763 -0.159 23 HA GLU 4 HA GLU 4 13.937 3.586 1.593 24 1HB GLU 4 1HB GLU 4 13.330 3.733 -1.301 25 2HB GLU 4 2HB GLU 4 12.342 3.880 0.132 26 1HG GLU 4 1HG GLU 4 12.566 6.245 0.216 27 2HG GLU 4 2HG GLU 4 14.188 6.243 -0.466 28 H GLU 5 H GLU 5 16.541 2.420 1.211 29 HA GLU 5 HA GLU 5 16.533 0.367 -0.816 30 1HB GLU 5 1HB GLU 5 18.602 1.202 -0.109 31 2HB GLU 5 2HB GLU 5 18.308 0.897 1.576 32 1HG GLU 5 1HG GLU 5 18.720 -1.403 -0.462 33 2HG GLU 5 2HG GLU 5 20.055 -0.646 0.388 34 H GLU 6 H GLU 6 15.801 -0.063 2.648 35 HA GLU 6 HA GLU 6 14.929 -2.896 2.129 36 1HB GLU 6 1HB GLU 6 15.672 -3.374 4.148 37 2HB GLU 6 2HB GLU 6 16.413 -1.803 4.134 38 1HG GLU 6 1HG GLU 6 13.580 -1.873 5.252 39 2HG GLU 6 2HG GLU 6 14.787 -2.735 6.188 40 H LEU 7 H LEU 7 13.362 0.131 2.653 41 HA LEU 7 HA LEU 7 10.544 -0.955 2.821 42 1HB LEU 7 1HB LEU 7 11.618 1.770 1.909 43 2HB LEU 7 2HB LEU 7 9.919 1.378 2.038 44 HG LEU 7 HG LEU 7 11.913 1.980 4.227 45 1HD1 LEU 7 1HD1 LEU 7 10.278 3.691 3.460 46 2HD1 LEU 7 2HD1 LEU 7 8.909 2.616 3.840 47 3HD1 LEU 7 3HD1 LEU 7 9.954 3.243 5.141 48 1HD2 LEU 7 1HD2 LEU 7 9.465 0.122 4.706 49 2HD2 LEU 7 2HD2 LEU 7 11.183 -0.282 4.978 50 3HD2 LEU 7 3HD2 LEU 7 10.401 0.938 5.986 51 H ALA 8 H ALA 8 12.837 -0.149 0.187 52 HA ALA 8 HA ALA 8 11.190 -1.138 -1.990 53 1HB ALA 8 1HB ALA 8 14.265 -1.063 -1.646 54 2HB ALA 8 2HB ALA 8 13.414 -1.304 -3.185 55 3HB ALA 8 3HB ALA 8 13.230 0.222 -2.312 56 H ASN 9 H ASN 9 13.944 -3.107 -0.640 57 HA ASN 9 HA ASN 9 13.087 -5.712 -1.131 58 1HB ASN 9 1HB ASN 9 14.272 -4.602 1.505 59 2HB ASN 9 2HB ASN 9 14.087 -6.309 1.209 60 1HD2 ASN 9 1HD2 ASN 9 17.534 -5.395 0.209 61 2HD2 ASN 9 2HD2 ASN 9 16.540 -5.369 1.734 62 H ALA 10 H ALA 10 11.787 -3.835 1.632 63 HA ALA 10 HA ALA 10 9.768 -5.750 2.494 64 1HB ALA 10 1HB ALA 10 10.669 -3.847 3.846 65 2HB ALA 10 2HB ALA 10 9.818 -2.669 2.813 66 3HB ALA 10 3HB ALA 10 8.895 -3.814 3.811 67 H PHE 11 H PHE 11 9.444 -3.112 0.111 68 HA PHE 11 HA PHE 11 6.596 -3.490 -0.475 69 1HB PHE 11 1HB PHE 11 7.919 -1.418 -0.944 70 2HB PHE 11 2HB PHE 11 8.828 -2.243 -2.165 71 HD1 PHE 11 HD1 PHE 11 5.767 -3.652 -2.841 72 HD2 PHE 11 HD2 PHE 11 7.647 0.213 -3.050 73 HE1 PHE 11 HE1 PHE 11 4.087 -2.912 -4.480 74 HE2 PHE 11 HE2 PHE 11 5.966 0.927 -4.703 75 HZ PHE 11 HZ PHE 11 4.200 -0.645 -5.437 76 H ARG 12 H ARG 12 9.396 -4.644 -2.487 77 HA ARG 12 HA ARG 12 8.158 -6.626 -4.030 78 1HB ARG 12 1HB ARG 12 10.676 -6.051 -3.783 79 2HB ARG 12 2HB ARG 12 10.740 -7.224 -2.473 80 1HG ARG 12 1HG ARG 12 10.437 -9.084 -3.915 81 2HG ARG 12 2HG ARG 12 9.507 -8.170 -5.110 82 1HD ARG 12 1HD ARG 12 11.423 -8.093 -6.373 83 2HD ARG 12 2HD ARG 12 12.025 -6.878 -5.212 84 HE ARG 12 HE ARG 12 12.436 -9.870 -4.642 85 1HH1 ARG 12 2HH1 ARG 12 13.832 -6.736 -5.127 86 2HH1 ARG 12 1HH1 ARG 12 15.476 -7.288 -4.546 87 1HH2 ARG 12 1HH2 ARG 12 14.276 -10.466 -3.988 88 2HH2 ARG 12 2HH2 ARG 12 15.698 -9.325 -3.933 89 H ILE 13 H ILE 13 8.744 -6.932 -0.531 90 HA ILE 13 HA ILE 13 8.138 -9.852 -0.377 91 HB ILE 13 HB ILE 13 8.686 -7.699 1.708 92 1HG1 ILE 13 1HG1 ILE 13 10.607 -8.977 0.426 93 2HG1 ILE 13 2HG1 ILE 13 10.736 -8.764 2.151 94 1HG2 ILE 13 1HG2 ILE 13 6.915 -9.152 2.772 95 2HG2 ILE 13 2HG2 ILE 13 7.850 -10.616 2.387 96 3HG2 ILE 13 3HG2 ILE 13 8.459 -9.430 3.558 97 1HD1 ILE 13 1HD1 ILE 13 9.930 -11.105 2.602 98 2HD1 ILE 13 2HD1 ILE 13 9.844 -11.407 0.849 99 3HD1 ILE 13 3HD1 ILE 13 11.407 -11.058 1.612 100 H PHE 14 H PHE 14 6.319 -6.882 0.088 101 HA PHE 14 HA PHE 14 3.656 -8.001 0.864 102 1HB PHE 14 1HB PHE 14 4.574 -5.473 -0.637 103 2HB PHE 14 2HB PHE 14 2.893 -5.888 -0.561 104 HD1 PHE 14 HD1 PHE 14 5.425 -6.234 2.244 105 HD2 PHE 14 HD2 PHE 14 1.957 -4.178 0.762 106 HE1 PHE 14 HE1 PHE 14 5.224 -5.028 4.382 107 HE2 PHE 14 HE2 PHE 14 1.774 -2.959 2.895 108 HZ PHE 14 HZ PHE 14 3.401 -3.395 4.717 109 H ASP 15 H ASP 15 5.278 -7.373 -2.257 110 HA ASP 15 HA ASP 15 3.074 -8.168 -3.950 111 1HB ASP 15 1HB ASP 15 4.903 -6.639 -4.634 112 2HB ASP 15 2HB ASP 15 6.087 -7.935 -4.573 113 H LYS 16 H LYS 16 3.236 -9.864 -5.702 114 HA LYS 16 HA LYS 16 4.505 -12.452 -4.859 115 1HB LYS 16 1HB LYS 16 1.510 -12.399 -5.577 116 2HB LYS 16 2HB LYS 16 2.454 -13.850 -5.385 117 1HG LYS 16 1HG LYS 16 2.445 -11.965 -2.993 118 2HG LYS 16 2HG LYS 16 0.867 -12.597 -3.446 119 1HD LYS 16 1HD LYS 16 3.353 -14.307 -2.774 120 2HD LYS 16 2HD LYS 16 1.996 -13.972 -1.701 121 1HE LYS 16 1HE LYS 16 0.647 -15.059 -3.908 122 2HE LYS 16 2HE LYS 16 2.127 -16.039 -3.859 123 1HZ LYS 16 1HZ LYS 16 0.688 -15.363 -1.293 124 2HZ LYS 16 2HZ LYS 16 0.150 -16.658 -2.150 125 3HZ LYS 16 3HZ LYS 16 1.683 -16.628 -1.534 126 H ASN 17 H ASN 17 2.362 -11.004 -7.335 127 HA ASN 17 HA ASN 17 3.545 -12.715 -9.464 128 1HB ASN 17 1HB ASN 17 1.048 -11.161 -9.056 129 2HB ASN 17 2HB ASN 17 1.612 -11.053 -10.702 130 1HD2 ASN 17 1HD2 ASN 17 0.537 -14.815 -9.604 131 2HD2 ASN 17 2HD2 ASN 17 1.857 -14.006 -8.697 132 H ALA 18 H ALA 18 3.682 -9.227 -8.772 133 HA ALA 18 HA ALA 18 5.682 -7.874 -9.173 134 1HB ALA 18 1HB ALA 18 6.940 -10.056 -9.326 135 2HB ALA 18 2HB ALA 18 6.474 -10.199 -11.035 136 3HB ALA 18 3HB ALA 18 7.533 -8.874 -10.524 137 H ASP 19 H ASP 19 3.257 -7.298 -10.482 138 HA ASP 19 HA ASP 19 3.953 -6.109 -13.132 139 1HB ASP 19 1HB ASP 19 1.584 -6.606 -12.033 140 2HB ASP 19 2HB ASP 19 1.771 -5.040 -11.256 141 H GLY 20 H GLY 20 5.197 -5.401 -10.066 142 1HA GLY 20 1HA GLY 20 6.475 -3.402 -9.380 143 2HA GLY 20 2HA GLY 20 5.670 -2.476 -10.654 144 H TYR 21 H TYR 21 3.071 -3.797 -9.265 145 HA TYR 21 HA TYR 21 2.586 -1.192 -7.689 146 1HB TYR 21 1HB TYR 21 0.575 -2.735 -9.453 147 2HB TYR 21 2HB TYR 21 0.207 -1.321 -8.503 148 HD1 TYR 21 HD1 TYR 21 1.632 0.871 -9.030 149 HD2 TYR 21 HD2 TYR 21 1.170 -2.417 -11.764 150 HE1 TYR 21 HE1 TYR 21 2.005 2.388 -10.934 151 HE2 TYR 21 HE2 TYR 21 1.582 -0.877 -13.654 152 HH TYR 21 HH TYR 21 2.301 1.157 -14.235 153 H ILE 22 H ILE 22 1.147 -1.233 -5.927 154 HA ILE 22 HA ILE 22 0.118 -3.950 -4.932 155 HB ILE 22 HB ILE 22 0.293 -1.372 -3.286 156 1HG1 ILE 22 1HG1 ILE 22 2.394 -3.540 -3.687 157 2HG1 ILE 22 2HG1 ILE 22 2.598 -1.823 -3.462 158 1HG2 ILE 22 1HG2 ILE 22 -1.422 -3.028 -2.421 159 2HG2 ILE 22 2HG2 ILE 22 -0.190 -4.303 -2.366 160 3HG2 ILE 22 3HG2 ILE 22 -0.088 -2.887 -1.289 161 1HD1 ILE 22 1HD1 ILE 22 1.989 -2.018 -0.996 162 2HD1 ILE 22 2HD1 ILE 22 1.981 -3.790 -1.184 163 3HD1 ILE 22 3HD1 ILE 22 3.477 -2.877 -1.469 164 H ASP 23 H ASP 23 -1.926 -4.407 -5.197 165 HA ASP 23 HA ASP 23 -3.869 -2.226 -6.092 166 1HB ASP 23 1HB ASP 23 -4.973 -3.942 -7.436 167 2HB ASP 23 2HB ASP 23 -3.243 -4.041 -7.730 168 H ILE 24 H ILE 24 -6.280 -3.131 -5.804 169 HA ILE 24 HA ILE 24 -6.867 -2.751 -2.876 170 HB ILE 24 HB ILE 24 -8.284 -1.908 -4.943 171 1HG1 ILE 24 1HG1 ILE 24 -9.012 -1.286 -2.698 172 2HG1 ILE 24 2HG1 ILE 24 -10.409 -1.849 -3.577 173 1HG2 ILE 24 1HG2 ILE 24 -8.792 -4.172 -5.970 174 2HG2 ILE 24 2HG2 ILE 24 -9.636 -4.668 -4.489 175 3HG2 ILE 24 3HG2 ILE 24 -10.280 -3.360 -5.514 176 1HD1 ILE 24 1HD1 ILE 24 -10.256 -4.132 -2.460 177 2HD1 ILE 24 2HD1 ILE 24 -8.968 -3.486 -1.413 178 3HD1 ILE 24 3HD1 ILE 24 -10.596 -2.780 -1.347 179 H GLU 25 H GLU 25 -6.551 -5.435 -5.076 180 HA GLU 25 HA GLU 25 -7.944 -7.443 -3.334 181 1HB GLU 25 1HB GLU 25 -6.254 -8.042 -5.798 182 2HB GLU 25 2HB GLU 25 -7.384 -9.109 -5.023 183 1HG GLU 25 1HG GLU 25 -9.217 -7.214 -5.676 184 2HG GLU 25 2HG GLU 25 -7.993 -6.683 -6.814 185 H GLU 26 H GLU 26 -4.617 -6.480 -3.877 186 HA GLU 26 HA GLU 26 -3.392 -8.663 -2.223 187 1HB GLU 26 1HB GLU 26 -2.242 -6.164 -3.515 188 2HB GLU 26 2HB GLU 26 -1.295 -7.110 -2.409 189 1HG GLU 26 1HG GLU 26 -1.488 -9.136 -3.949 190 2HG GLU 26 2HG GLU 26 -2.492 -8.215 -5.054 191 H LEU 27 H LEU 27 -4.526 -5.407 -1.603 192 HA LEU 27 HA LEU 27 -2.695 -4.876 0.647 193 1HB LEU 27 1HB LEU 27 -3.521 -3.174 -0.982 194 2HB LEU 27 2HB LEU 27 -5.140 -3.302 -0.346 195 HG LEU 27 HG LEU 27 -2.756 -2.344 1.361 196 1HD1 LEU 27 1HD1 LEU 27 -3.105 -0.813 -0.580 197 2HD1 LEU 27 2HD1 LEU 27 -4.831 -0.617 -0.161 198 3HD1 LEU 27 3HD1 LEU 27 -3.547 -0.035 0.939 199 1HD2 LEU 27 1HD2 LEU 27 -5.817 -2.057 1.837 200 2HD2 LEU 27 2HD2 LEU 27 -4.709 -3.137 2.735 201 3HD2 LEU 27 3HD2 LEU 27 -4.517 -1.385 2.861 202 H GLY 28 H GLY 28 -6.295 -5.152 0.746 203 1HA GLY 28 1HA GLY 28 -6.732 -5.409 3.531 204 2HA GLY 28 2HA GLY 28 -7.702 -6.302 2.353 205 H GLU 29 H GLU 29 -5.797 -8.140 1.412 206 HA GLU 29 HA GLU 29 -5.705 -10.127 3.590 207 1HB GLU 29 1HB GLU 29 -5.683 -11.622 1.975 208 2HB GLU 29 2HB GLU 29 -5.912 -10.299 0.873 209 1HG GLU 29 1HG GLU 29 -3.432 -10.260 0.344 210 2HG GLU 29 2HG GLU 29 -3.130 -11.512 1.534 211 H ILE 30 H ILE 30 -3.162 -8.192 2.094 212 HA ILE 30 HA ILE 30 -0.870 -8.894 3.833 213 HB ILE 30 HB ILE 30 -1.729 -6.245 2.577 214 1HG1 ILE 30 1HG1 ILE 30 -0.635 -8.129 1.116 215 2HG1 ILE 30 2HG1 ILE 30 -0.010 -6.508 0.979 216 1HG2 ILE 30 1HG2 ILE 30 -0.541 -5.667 4.724 217 2HG2 ILE 30 2HG2 ILE 30 0.836 -6.700 4.262 218 3HG2 ILE 30 3HG2 ILE 30 0.447 -5.224 3.336 219 1HD1 ILE 30 1HD1 ILE 30 1.430 -8.686 2.636 220 2HD1 ILE 30 2HD1 ILE 30 1.865 -8.093 1.019 221 3HD1 ILE 30 3HD1 ILE 30 1.959 -6.998 2.413 222 H LEU 31 H LEU 31 -3.435 -6.403 4.398 223 HA LEU 31 HA LEU 31 -2.209 -5.665 7.040 224 1HB LEU 31 1HB LEU 31 -3.785 -3.903 7.154 225 2HB LEU 31 2HB LEU 31 -3.280 -3.986 5.484 226 HG LEU 31 HG LEU 31 -5.513 -5.468 5.169 227 1HD1 LEU 31 1HD1 LEU 31 -6.134 -3.832 7.720 228 2HD1 LEU 31 2HD1 LEU 31 -7.346 -4.646 6.695 229 3HD1 LEU 31 3HD1 LEU 31 -6.129 -5.608 7.538 230 1HD2 LEU 31 1HD2 LEU 31 -5.525 -2.381 5.489 231 2HD2 LEU 31 2HD2 LEU 31 -5.208 -3.299 3.991 232 3HD2 LEU 31 3HD2 LEU 31 -6.820 -3.330 4.712 233 H ARG 32 H ARG 32 -4.762 -7.906 6.102 234 HA ARG 32 HA ARG 32 -5.448 -8.572 8.915 235 1HB ARG 32 1HB ARG 32 -5.825 -9.838 6.149 236 2HB ARG 32 2HB ARG 32 -6.369 -10.689 7.592 237 1HG ARG 32 1HG ARG 32 -7.224 -7.785 6.913 238 2HG ARG 32 2HG ARG 32 -8.064 -9.200 6.253 239 1HD ARG 32 1HD ARG 32 -7.937 -8.234 9.169 240 2HD ARG 32 2HD ARG 32 -9.363 -8.687 8.208 241 HE ARG 32 HE ARG 32 -8.789 -11.100 8.489 242 1HH1 ARG 32 2HH1 ARG 32 -6.659 -9.036 10.300 243 2HH1 ARG 32 1HH1 ARG 32 -6.109 -10.415 11.365 244 1HH2 ARG 32 1HH2 ARG 32 -8.112 -12.634 9.679 245 2HH2 ARG 32 2HH2 ARG 32 -6.900 -12.345 11.010 246 H ALA 33 H ALA 33 -3.262 -10.097 6.531 247 HA ALA 33 HA ALA 33 -2.769 -12.496 8.037 248 1HB ALA 33 1HB ALA 33 -2.554 -12.274 5.566 249 2HB ALA 33 2HB ALA 33 -1.105 -11.249 5.749 250 3HB ALA 33 3HB ALA 33 -1.069 -12.952 6.255 251 H THR 34 H THR 34 -0.476 -13.376 8.552 252 HA THR 34 HA THR 34 1.048 -12.341 10.580 253 HB THR 34 HB THR 34 3.205 -13.261 9.380 254 HG1 THR 34 HG1 THR 34 1.171 -13.777 7.528 255 1HG2 THR 34 2HG2 THR 34 1.738 -14.512 11.095 256 2HG2 THR 34 3HG2 THR 34 0.781 -15.163 9.739 257 3HG2 THR 34 1HG2 THR 34 2.493 -15.594 9.898 258 H GLY 35 H GLY 35 2.301 -11.542 7.275 259 1HA GLY 35 1HA GLY 35 3.608 -9.636 6.540 260 2HA GLY 35 2HA GLY 35 2.977 -8.758 7.939 261 1HN NH2 36 1HN NH2 36 4.730 -11.698 8.801 262 2HN NH2 36 2HN NH2 36 6.252 -10.904 9.288 263 1H ACE 37 1HH3 ACE 37 -8.083 -6.351 14.349 264 2H ACE 37 2HH3 ACE 37 -9.844 -6.648 14.549 265 3H ACE 37 3HH3 ACE 37 -8.805 -7.885 13.794 266 H VAL 38 H VAL 38 -9.591 -4.428 13.349 267 HA VAL 38 HA VAL 38 -9.965 -3.076 11.378 268 HB VAL 38 HB VAL 38 -8.072 -5.029 9.983 269 1HG1 VAL 38 1HG1 VAL 38 -8.477 -1.959 9.733 270 2HG1 VAL 38 2HG1 VAL 38 -7.187 -2.867 8.911 271 3HG1 VAL 38 3HG1 VAL 38 -8.879 -3.182 8.514 272 1HG2 VAL 38 1HG2 VAL 38 -7.031 -4.508 12.234 273 2HG2 VAL 38 2HG2 VAL 38 -6.131 -3.711 10.925 274 3HG2 VAL 38 3HG2 VAL 38 -7.252 -2.769 11.939 275 H THR 39 H THR 39 -12.110 -3.463 11.025 276 HA THR 39 HA THR 39 -13.163 -5.735 9.306 277 HB THR 39 HB THR 39 -14.676 -4.975 11.052 278 HG1 THR 39 HG1 THR 39 -16.346 -4.935 9.840 279 1HG2 THR 39 2HG2 THR 39 -14.478 -2.153 9.783 280 2HG2 THR 39 3HG2 THR 39 -15.584 -2.615 11.099 281 3HG2 THR 39 1HG2 THR 39 -13.830 -2.633 11.369 282 H GLU 40 H GLU 40 -14.444 -5.031 7.307 283 HA GLU 40 HA GLU 40 -12.315 -4.036 5.469 284 1HB GLU 40 1HB GLU 40 -14.043 -6.051 5.233 285 2HB GLU 40 2HB GLU 40 -15.054 -4.861 4.471 286 1HG GLU 40 1HG GLU 40 -12.174 -5.348 3.456 287 2HG GLU 40 2HG GLU 40 -13.500 -6.375 2.943 288 H GLU 41 H GLU 41 -15.389 -2.672 6.571 289 HA GLU 41 HA GLU 41 -15.430 -0.338 4.905 290 1HB GLU 41 1HB GLU 41 -17.072 0.556 6.280 291 2HB GLU 41 2HB GLU 41 -17.276 -1.166 6.391 292 1HG GLU 41 1HG GLU 41 -17.553 -0.648 8.657 293 2HG GLU 41 2HG GLU 41 -15.811 -0.852 8.701 294 H ASP 42 H ASP 42 -13.514 -0.732 7.884 295 HA ASP 42 HA ASP 42 -12.192 1.865 7.764 296 1HB ASP 42 1HB ASP 42 -11.465 -0.841 9.012 297 2HB ASP 42 2HB ASP 42 -10.340 0.506 9.110 298 H ILE 43 H ILE 43 -11.482 -1.106 6.022 299 HA ILE 43 HA ILE 43 -8.894 -0.293 4.760 300 HB ILE 43 HB ILE 43 -10.982 -2.384 3.999 301 1HG1 ILE 43 1HG1 ILE 43 -8.053 -3.105 4.358 302 2HG1 ILE 43 2HG1 ILE 43 -8.888 -2.607 5.804 303 1HG2 ILE 43 1HG2 ILE 43 -10.100 -1.500 1.804 304 2HG2 ILE 43 2HG2 ILE 43 -8.428 -1.724 2.355 305 3HG2 ILE 43 3HG2 ILE 43 -9.490 -3.126 2.076 306 1HD1 ILE 43 1HD1 ILE 43 -10.677 -4.366 5.472 307 2HD1 ILE 43 2HD1 ILE 43 -9.767 -4.998 4.075 308 3HD1 ILE 43 3HD1 ILE 43 -9.042 -5.027 5.696 309 H GLU 44 H GLU 44 -12.322 -0.004 3.745 310 HA GLU 44 HA GLU 44 -11.652 1.228 1.095 311 1HB GLU 44 1HB GLU 44 -13.623 0.442 0.540 312 2HB GLU 44 2HB GLU 44 -13.903 -0.108 2.164 313 1HG GLU 44 1HG GLU 44 -15.731 1.287 2.262 314 2HG GLU 44 2HG GLU 44 -14.664 2.680 2.240 315 H ASP 45 H ASP 45 -12.591 2.434 4.255 316 HA ASP 45 HA ASP 45 -12.849 5.326 3.480 317 1HB ASP 45 1HB ASP 45 -12.799 3.768 6.114 318 2HB ASP 45 2HB ASP 45 -12.580 5.512 6.144 319 H LEU 46 H LEU 46 -10.297 3.327 4.950 320 HA LEU 46 HA LEU 46 -8.247 5.469 5.097 321 1HB LEU 46 1HB LEU 46 -8.286 3.406 6.494 322 2HB LEU 46 2HB LEU 46 -7.937 2.407 5.103 323 HG LEU 46 HG LEU 46 -5.684 3.772 4.870 324 1HD1 LEU 46 1HD1 LEU 46 -6.733 4.750 7.551 325 2HD1 LEU 46 2HD1 LEU 46 -4.991 4.504 7.357 326 3HD1 LEU 46 3HD1 LEU 46 -5.848 5.656 6.291 327 1HD2 LEU 46 1HD2 LEU 46 -6.176 1.872 7.248 328 2HD2 LEU 46 2HD2 LEU 46 -5.579 1.414 5.627 329 3HD2 LEU 46 3HD2 LEU 46 -4.570 2.392 6.734 330 H MET 47 H MET 47 -8.459 2.811 2.702 331 HA MET 47 HA MET 47 -6.416 3.862 0.926 332 1HB MET 47 1HB MET 47 -7.079 1.532 0.777 333 2HB MET 47 2HB MET 47 -8.746 1.941 0.413 334 1HG MET 47 1HG MET 47 -8.307 2.528 -1.854 335 2HG MET 47 2HG MET 47 -6.602 2.901 -1.543 336 1HE MET 47 1HE MET 47 -5.318 1.702 -3.110 337 2HE MET 47 2HE MET 47 -4.665 1.259 -1.507 338 3HE MET 47 3HE MET 47 -4.831 0.005 -2.770 339 H LYS 48 H LYS 48 -9.845 4.771 1.131 340 HA LYS 48 HA LYS 48 -9.636 6.774 -1.077 341 1HB LYS 48 1HB LYS 48 -11.593 5.997 1.070 342 2HB LYS 48 2HB LYS 48 -11.752 7.642 0.538 343 1HG LYS 48 1HG LYS 48 -13.138 5.600 -0.625 344 2HG LYS 48 2HG LYS 48 -12.669 7.003 -1.531 345 1HD LYS 48 1HD LYS 48 -10.839 5.965 -2.644 346 2HD LYS 48 2HD LYS 48 -10.702 4.634 -1.544 347 1HE LYS 48 1HE LYS 48 -13.410 4.587 -2.805 348 2HE LYS 48 2HE LYS 48 -12.192 4.804 -4.049 349 1HZ LYS 48 1HZ LYS 48 -10.984 2.794 -2.629 350 2HZ LYS 48 2HZ LYS 48 -12.545 2.450 -2.297 351 3HZ LYS 48 3HZ LYS 48 -12.089 2.449 -3.814 352 H ASP 49 H ASP 49 -8.717 6.719 2.292 353 HA ASP 49 HA ASP 49 -8.722 9.711 2.717 354 1HB ASP 49 1HB ASP 49 -9.198 8.098 4.601 355 2HB ASP 49 2HB ASP 49 -7.556 7.478 4.501 356 H SER 50 H SER 50 -6.260 7.226 2.040 357 HA SER 50 HA SER 50 -4.054 9.191 1.637 358 1HB SER 50 1HB SER 50 -3.835 6.684 2.297 359 2HB SER 50 2HB SER 50 -4.167 6.274 0.616 360 HG SER 50 HG SER 50 -1.962 6.407 0.960 361 H ASP 51 H ASP 51 -6.028 7.247 -0.626 362 HA ASP 51 HA ASP 51 -4.519 8.024 -2.992 363 1HB ASP 51 1HB ASP 51 -5.986 5.882 -2.436 364 2HB ASP 51 2HB ASP 51 -7.327 6.789 -3.122 365 H LYS 52 H LYS 52 -5.166 9.131 -4.908 366 HA LYS 52 HA LYS 52 -6.715 11.703 -4.300 367 1HB LYS 52 1HB LYS 52 -5.434 12.606 -6.313 368 2HB LYS 52 2HB LYS 52 -4.516 12.382 -4.856 369 1HG LYS 52 1HG LYS 52 -4.537 10.316 -7.196 370 2HG LYS 52 2HG LYS 52 -3.460 11.676 -7.165 371 1HD LYS 52 1HD LYS 52 -3.380 10.017 -4.653 372 2HD LYS 52 2HD LYS 52 -2.802 9.174 -6.052 373 1HE LYS 52 1HE LYS 52 -0.845 10.223 -4.977 374 2HE LYS 52 2HE LYS 52 -1.127 11.124 -6.465 375 1HZ LYS 52 1HZ LYS 52 -2.513 12.804 -5.031 376 2HZ LYS 52 2HZ LYS 52 -1.896 12.073 -3.679 377 3HZ LYS 52 3HZ LYS 52 -0.948 12.814 -4.782 378 H ASN 53 H ASN 53 -6.182 11.162 -7.623 379 HA ASN 53 HA ASN 53 -9.008 11.574 -8.089 380 1HB ASN 53 1HB ASN 53 -8.251 11.264 -10.621 381 2HB ASN 53 2HB ASN 53 -7.618 12.594 -9.692 382 1HD2 ASN 53 1HD2 ASN 53 -4.289 11.529 -10.191 383 2HD2 ASN 53 2HD2 ASN 53 -5.423 12.781 -9.514 384 H ASN 54 H ASN 54 -7.690 8.606 -7.387 385 HA ASN 54 HA ASN 54 -8.945 6.603 -6.954 386 1HB ASN 54 1HB ASN 54 -11.150 8.526 -7.924 387 2HB ASN 54 2HB ASN 54 -11.538 6.856 -7.618 388 1HD2 ASN 54 1HD2 ASN 54 -11.897 9.091 -4.527 389 2HD2 ASN 54 2HD2 ASN 54 -12.274 9.433 -6.275 390 H ASP 55 H ASP 55 -7.459 5.867 -8.767 391 HA ASP 55 HA ASP 55 -9.161 4.393 -10.838 392 1HB ASP 55 1HB ASP 55 -6.912 5.427 -11.509 393 2HB ASP 55 2HB ASP 55 -6.099 4.273 -10.460 394 H GLY 56 H GLY 56 -7.782 3.979 -7.690 395 1HA GLY 56 1HA GLY 56 -8.229 2.136 -6.135 396 2HA GLY 56 2HA GLY 56 -8.767 1.147 -7.497 397 H ARG 57 H ARG 57 -5.590 2.684 -7.357 398 HA ARG 57 HA ARG 57 -4.126 0.088 -6.744 399 1HB ARG 57 1HB ARG 57 -4.715 -0.318 -9.017 400 2HB ARG 57 2HB ARG 57 -4.419 1.347 -9.514 401 1HG ARG 57 1HG ARG 57 -2.032 1.055 -9.557 402 2HG ARG 57 2HG ARG 57 -2.060 -0.284 -8.412 403 1HD ARG 57 1HD ARG 57 -1.765 -1.588 -10.330 404 2HD ARG 57 2HD ARG 57 -3.518 -1.443 -10.451 405 HE ARG 57 HE ARG 57 -2.107 0.931 -11.670 406 1HH1 ARG 57 2HH1 ARG 57 -3.759 -2.040 -12.325 407 2HH1 ARG 57 1HH1 ARG 57 -3.891 -1.631 -14.115 408 1HH2 ARG 57 1HH2 ARG 57 -2.354 1.385 -13.590 409 2HH2 ARG 57 2HH2 ARG 57 -3.215 0.282 -14.773 410 H ILE 58 H ILE 58 -2.233 0.349 -5.866 411 HA ILE 58 HA ILE 58 -1.150 3.172 -5.507 412 HB ILE 58 HB ILE 58 -1.085 0.724 -3.675 413 1HG1 ILE 58 1HG1 ILE 58 -2.437 3.489 -3.347 414 2HG1 ILE 58 2HG1 ILE 58 -3.256 1.990 -3.689 415 1HG2 ILE 58 1HG2 ILE 58 1.109 1.957 -3.389 416 2HG2 ILE 58 2HG2 ILE 58 0.237 3.478 -3.107 417 3HG2 ILE 58 3HG2 ILE 58 0.110 2.132 -1.950 418 1HD1 ILE 58 1HD1 ILE 58 -2.540 1.000 -1.467 419 2HD1 ILE 58 2HD1 ILE 58 -1.811 2.568 -1.033 420 3HD1 ILE 58 3HD1 ILE 58 -3.562 2.452 -1.320 421 H ASP 59 H ASP 59 0.981 3.696 -5.695 422 HA ASP 59 HA ASP 59 2.958 1.578 -6.684 423 1HB ASP 59 1HB ASP 59 4.242 3.491 -7.665 424 2HB ASP 59 2HB ASP 59 2.595 3.414 -8.274 425 H PHE 60 H PHE 60 5.363 2.611 -6.139 426 HA PHE 60 HA PHE 60 5.869 2.102 -3.285 427 1HB PHE 60 1HB PHE 60 7.466 1.847 -5.355 428 2HB PHE 60 2HB PHE 60 7.800 3.539 -5.194 429 HD1 PHE 60 HD1 PHE 60 7.313 2.495 -1.873 430 HD2 PHE 60 HD2 PHE 60 10.197 2.200 -5.043 431 HE1 PHE 60 HE1 PHE 60 9.084 2.096 -0.223 432 HE2 PHE 60 HE2 PHE 60 11.968 1.769 -3.378 433 HZ PHE 60 HZ PHE 60 11.407 1.678 -0.966 434 H ASP 61 H ASP 61 5.285 5.104 -5.005 435 HA ASP 61 HA ASP 61 6.164 7.127 -3.020 436 1HB ASP 61 1HB ASP 61 5.564 8.099 -5.110 437 2HB ASP 61 2HB ASP 61 4.270 6.956 -5.415 438 H GLU 62 H GLU 62 2.848 6.568 -3.841 439 HA GLU 62 HA GLU 62 1.242 6.959 -1.534 440 1HB GLU 62 1HB GLU 62 1.017 4.642 -3.505 441 2HB GLU 62 2HB GLU 62 -0.207 5.034 -2.335 442 1HG GLU 62 1HG GLU 62 0.695 7.057 -4.504 443 2HG GLU 62 2HG GLU 62 -0.593 5.898 -4.772 444 H PHE 63 H PHE 63 3.538 4.278 -1.894 445 HA PHE 63 HA PHE 63 2.514 2.619 0.407 446 1HB PHE 63 1HB PHE 63 3.870 1.774 -1.603 447 2HB PHE 63 2HB PHE 63 5.264 2.588 -0.981 448 HD1 PHE 63 HD1 PHE 63 4.331 1.777 2.123 449 HD2 PHE 63 HD2 PHE 63 5.025 -0.461 -1.487 450 HE1 PHE 63 HE1 PHE 63 5.285 -0.080 3.436 451 HE2 PHE 63 HE2 PHE 63 5.953 -2.296 -0.166 452 HZ PHE 63 HZ PHE 63 6.138 -2.098 2.291 453 H LEU 64 H LEU 64 5.320 4.775 -0.034 454 HA LEU 64 HA LEU 64 6.268 4.951 2.697 455 1HB LEU 64 1HB LEU 64 6.409 6.982 0.410 456 2HB LEU 64 2HB LEU 64 7.214 7.257 1.933 457 HG LEU 64 HG LEU 64 7.795 4.720 0.306 458 1HD1 LEU 64 1HD1 LEU 64 9.080 7.513 -0.061 459 2HD1 LEU 64 2HD1 LEU 64 9.743 5.991 -0.716 460 3HD1 LEU 64 3HD1 LEU 64 8.160 6.557 -1.255 461 1HD2 LEU 64 1HD2 LEU 64 9.459 6.304 2.398 462 2HD2 LEU 64 2HD2 LEU 64 8.744 4.679 2.605 463 3HD2 LEU 64 3HD2 LEU 64 10.064 4.921 1.452 464 H LYS 65 H LYS 65 3.895 7.112 1.119 465 HA LYS 65 HA LYS 65 3.269 8.710 3.515 466 1HB LYS 65 1HB LYS 65 2.895 8.691 0.744 467 2HB LYS 65 2HB LYS 65 1.244 8.461 1.287 468 1HG LYS 65 1HG LYS 65 2.229 10.678 2.843 469 2HG LYS 65 2HG LYS 65 2.994 10.876 1.255 470 1HD LYS 65 1HD LYS 65 1.002 11.113 0.090 471 2HD LYS 65 2HD LYS 65 0.052 10.102 1.183 472 1HE LYS 65 1HE LYS 65 0.938 13.059 1.617 473 2HE LYS 65 2HE LYS 65 -0.687 12.503 1.178 474 1HZ LYS 65 1HZ LYS 65 -0.307 10.976 3.394 475 2HZ LYS 65 2HZ LYS 65 0.669 12.170 3.847 476 3HZ LYS 65 3HZ LYS 65 -0.925 12.476 3.555 477 H MET 66 H MET 66 1.248 6.132 1.966 478 HA MET 66 HA MET 66 -0.627 5.489 3.867 479 1HB MET 66 1HB MET 66 -0.304 4.185 1.792 480 2HB MET 66 2HB MET 66 1.180 3.483 2.400 481 1HG MET 66 1HG MET 66 -0.579 2.665 4.414 482 2HG MET 66 2HG MET 66 -1.635 2.630 2.989 483 1HE MET 66 1HE MET 66 0.351 2.163 0.596 484 2HE MET 66 2HE MET 66 0.283 0.381 0.456 485 3HE MET 66 3HE MET 66 -1.209 1.307 0.804 486 H MET 67 H MET 67 2.629 4.016 4.167 487 HA MET 67 HA MET 67 1.857 2.730 6.772 488 1HB MET 67 1HB MET 67 3.545 1.191 6.357 489 2HB MET 67 2HB MET 67 3.217 1.723 4.718 490 1HG MET 67 1HG MET 67 5.322 2.552 4.396 491 2HG MET 67 2HG MET 67 5.341 3.423 5.941 492 1HE MET 67 1HE MET 67 7.365 2.016 4.254 493 2HE MET 67 2HE MET 67 8.454 1.681 5.639 494 3HE MET 67 3HE MET 67 7.826 0.331 4.644 495 H GLU 68 H GLU 68 3.758 5.512 5.847 496 HA GLU 68 HA GLU 68 4.596 6.134 8.654 497 1HB GLU 68 1HB GLU 68 4.419 7.818 6.131 498 2HB GLU 68 2HB GLU 68 4.733 8.556 7.672 499 1HG GLU 68 1HG GLU 68 6.738 7.769 5.989 500 2HG GLU 68 2HG GLU 68 6.970 7.821 7.727 501 H GLY 69 H GLY 69 2.069 7.735 6.682 502 1HA GLY 69 1HA GLY 69 -0.289 8.031 7.398 503 2HA GLY 69 2HA GLY 69 0.203 7.778 9.077 504 H VAL 70 H VAL 70 2.418 9.963 8.483 505 HA VAL 70 HA VAL 70 0.926 11.927 10.206 506 HB VAL 70 HB VAL 70 3.207 11.617 10.808 507 1HG1 VAL 70 1HG1 VAL 70 4.053 12.333 7.908 508 2HG1 VAL 70 2HG1 VAL 70 5.176 12.112 9.275 509 3HG1 VAL 70 3HG1 VAL 70 4.224 10.744 8.693 510 1HG2 VAL 70 1HG2 VAL 70 2.473 14.032 10.961 511 2HG2 VAL 70 2HG2 VAL 70 4.201 13.915 10.664 512 3HG2 VAL 70 3HG2 VAL 70 3.095 14.352 9.328 513 H GLN 71 H GLN 71 0.430 14.047 9.630 514 HA GLN 71 HA GLN 71 0.962 15.022 6.839 515 1HB GLN 71 1HB GLN 71 -1.175 14.241 6.314 516 2HB GLN 71 2HB GLN 71 -1.848 14.608 7.901 517 1HG GLN 71 1HG GLN 71 -1.418 17.168 7.198 518 2HG GLN 71 2HG GLN 71 -1.286 16.558 5.560 519 1HE2 GLN 71 1HE2 GLN 71 -4.808 16.174 5.237 520 2HE2 GLN 71 2HE2 GLN 71 -3.132 15.863 4.521 521 1HN NH2 72 1HN NH2 72 2.367 16.685 7.406 522 2HN NH2 72 2HN NH2 72 1.972 18.001 8.544 No H/Q in entry = 522 Start of MODEL 6 1 1H ACE 1 1HH3 ACE 1 17.162 12.304 0.232 2 2H ACE 1 2HH3 ACE 1 18.846 12.719 0.712 3 3H ACE 1 3HH3 ACE 1 18.230 13.154 -0.907 4 H LYS 2 H LYS 2 18.504 10.206 1.099 5 HA LYS 2 HA LYS 2 17.975 8.517 -1.243 6 1HB LYS 2 1HB LYS 2 20.805 8.840 -0.464 7 2HB LYS 2 2HB LYS 2 20.353 7.151 -0.389 8 1HG LYS 2 1HG LYS 2 19.833 7.128 -2.828 9 2HG LYS 2 2HG LYS 2 19.700 8.866 -2.889 10 1HD LYS 2 1HD LYS 2 22.340 8.736 -2.138 11 2HD LYS 2 2HD LYS 2 22.223 7.129 -2.857 12 1HE LYS 2 1HE LYS 2 20.874 8.656 -4.784 13 2HE LYS 2 2HE LYS 2 22.091 9.829 -4.248 14 1HZ LYS 2 1HZ LYS 2 23.562 7.484 -4.402 15 2HZ LYS 2 2HZ LYS 2 22.583 7.173 -5.584 16 3HZ LYS 2 3HZ LYS 2 23.549 8.526 -5.640 17 H SER 3 H SER 3 16.226 7.859 0.039 18 HA SER 3 HA SER 3 17.019 5.283 1.466 19 1HB SER 3 1HB SER 3 15.649 7.600 2.699 20 2HB SER 3 2HB SER 3 14.724 6.133 2.912 21 HG SER 3 HG SER 3 17.492 6.543 3.551 22 H GLU 4 H GLU 4 16.159 5.766 -1.219 23 HA GLU 4 HA GLU 4 13.335 4.721 -1.524 24 1HB GLU 4 1HB GLU 4 13.587 6.023 -3.319 25 2HB GLU 4 2HB GLU 4 15.318 5.797 -3.371 26 1HG GLU 4 1HG GLU 4 14.731 3.389 -4.436 27 2HG GLU 4 2HG GLU 4 13.141 4.088 -4.723 28 H GLU 5 H GLU 5 16.472 3.431 -1.060 29 HA GLU 5 HA GLU 5 16.128 0.883 -2.388 30 1HB GLU 5 1HB GLU 5 18.316 1.507 -2.170 31 2HB GLU 5 2HB GLU 5 18.170 2.050 -0.526 32 1HG GLU 5 1HG GLU 5 18.092 -0.446 0.223 33 2HG GLU 5 2HG GLU 5 18.405 -0.906 -1.440 34 H GLU 6 H GLU 6 15.429 1.691 0.975 35 HA GLU 6 HA GLU 6 14.842 -1.136 1.696 36 1HB GLU 6 1HB GLU 6 15.803 1.047 3.074 37 2HB GLU 6 2HB GLU 6 14.178 0.996 3.686 38 1HG GLU 6 1HG GLU 6 15.582 -1.691 3.749 39 2HG GLU 6 2HG GLU 6 16.342 -0.457 4.737 40 H LEU 7 H LEU 7 12.775 1.706 1.159 41 HA LEU 7 HA LEU 7 10.205 0.136 1.278 42 1HB LEU 7 1HB LEU 7 10.927 2.898 0.173 43 2HB LEU 7 2HB LEU 7 9.334 2.215 -0.040 44 HG LEU 7 HG LEU 7 10.457 3.598 2.291 45 1HD1 LEU 7 1HD1 LEU 7 8.344 4.222 1.137 46 2HD1 LEU 7 2HD1 LEU 7 7.590 2.671 1.588 47 3HD1 LEU 7 3HD1 LEU 7 8.029 3.862 2.841 48 1HD2 LEU 7 1HD2 LEU 7 9.109 0.861 2.889 49 2HD2 LEU 7 2HD2 LEU 7 10.760 1.362 3.348 50 3HD2 LEU 7 3HD2 LEU 7 9.368 2.161 4.083 51 H ALA 8 H ALA 8 12.591 0.845 -1.276 52 HA ALA 8 HA ALA 8 11.347 -0.489 -3.473 53 1HB ALA 8 1HB ALA 8 14.324 -0.454 -2.629 54 2HB ALA 8 2HB ALA 8 13.724 -0.882 -4.244 55 3HB ALA 8 3HB ALA 8 13.479 0.756 -3.624 56 H ASN 9 H ASN 9 13.889 -2.346 -1.720 57 HA ASN 9 HA ASN 9 13.037 -4.976 -1.972 58 1HB ASN 9 1HB ASN 9 14.073 -3.654 0.632 59 2HB ASN 9 2HB ASN 9 13.968 -5.378 0.409 60 1HD2 ASN 9 1HD2 ASN 9 17.416 -4.188 -0.475 61 2HD2 ASN 9 2HD2 ASN 9 16.333 -4.015 0.978 62 H ALA 10 H ALA 10 11.451 -2.684 0.211 63 HA ALA 10 HA ALA 10 9.541 -4.597 1.469 64 1HB ALA 10 1HB ALA 10 10.323 -2.473 2.536 65 2HB ALA 10 2HB ALA 10 9.495 -1.505 1.289 66 3HB ALA 10 3HB ALA 10 8.553 -2.506 2.416 67 H PHE 11 H PHE 11 9.157 -2.217 -1.180 68 HA PHE 11 HA PHE 11 6.368 -2.832 -1.816 69 1HB PHE 11 1HB PHE 11 7.555 -0.706 -2.386 70 2HB PHE 11 2HB PHE 11 8.558 -1.538 -3.526 71 HD1 PHE 11 HD1 PHE 11 7.658 -2.272 -5.789 72 HD2 PHE 11 HD2 PHE 11 5.156 -0.195 -2.971 73 HE1 PHE 11 HE1 PHE 11 6.130 -1.619 -7.608 74 HE2 PHE 11 HE2 PHE 11 3.636 0.435 -4.800 75 HZ PHE 11 HZ PHE 11 4.136 -0.236 -7.117 76 H ARG 12 H ARG 12 9.359 -4.175 -3.197 77 HA ARG 12 HA ARG 12 8.043 -6.119 -4.979 78 1HB ARG 12 1HB ARG 12 10.142 -6.816 -5.544 79 2HB ARG 12 2HB ARG 12 10.583 -5.273 -4.821 80 1HG ARG 12 1HG ARG 12 11.394 -6.316 -2.783 81 2HG ARG 12 2HG ARG 12 10.546 -7.836 -3.095 82 1HD ARG 12 1HD ARG 12 13.220 -7.529 -3.581 83 2HD ARG 12 2HD ARG 12 12.201 -8.658 -4.516 84 HE ARG 12 HE ARG 12 12.158 -7.072 -6.403 85 1HH1 ARG 12 2HH1 ARG 12 13.903 -5.726 -3.729 86 2HH1 ARG 12 1HH1 ARG 12 14.628 -4.403 -4.763 87 1HH2 ARG 12 1HH2 ARG 12 13.000 -5.606 -7.546 88 2HH2 ARG 12 2HH2 ARG 12 14.137 -4.365 -6.844 89 H ILE 13 H ILE 13 9.095 -6.368 -1.572 90 HA ILE 13 HA ILE 13 8.828 -9.338 -1.472 91 HB ILE 13 HB ILE 13 9.546 -7.227 0.609 92 1HG1 ILE 13 1HG1 ILE 13 11.286 -8.212 -1.150 93 2HG1 ILE 13 2HG1 ILE 13 11.757 -7.974 0.511 94 1HG2 ILE 13 1HG2 ILE 13 8.226 -8.964 1.881 95 2HG2 ILE 13 2HG2 ILE 13 9.234 -10.263 1.202 96 3HG2 ILE 13 3HG2 ILE 13 9.920 -9.070 2.322 97 1HD1 ILE 13 1HD1 ILE 13 11.400 -10.403 1.066 98 2HD1 ILE 13 2HD1 ILE 13 10.976 -10.723 -0.634 99 3HD1 ILE 13 3HD1 ILE 13 12.605 -10.155 -0.219 100 H PHE 14 H PHE 14 6.837 -6.613 -0.517 101 HA PHE 14 HA PHE 14 4.504 -8.079 0.661 102 1HB PHE 14 1HB PHE 14 4.808 -5.384 -0.809 103 2HB PHE 14 2HB PHE 14 3.248 -6.001 -0.372 104 HD1 PHE 14 HD1 PHE 14 3.958 -7.213 2.407 105 HD2 PHE 14 HD2 PHE 14 4.913 -3.441 0.588 106 HE1 PHE 14 HE1 PHE 14 4.083 -6.169 4.634 107 HE2 PHE 14 HE2 PHE 14 5.059 -2.408 2.819 108 HZ PHE 14 HZ PHE 14 4.593 -3.761 4.846 109 H ASP 15 H ASP 15 5.317 -6.973 -2.652 110 HA ASP 15 HA ASP 15 2.934 -7.892 -3.957 111 1HB ASP 15 1HB ASP 15 4.460 -6.186 -4.883 112 2HB ASP 15 2HB ASP 15 5.748 -7.361 -5.101 113 H LYS 16 H LYS 16 2.256 -9.687 -5.031 114 HA LYS 16 HA LYS 16 3.793 -12.252 -4.440 115 1HB LYS 16 1HB LYS 16 1.731 -13.524 -4.297 116 2HB LYS 16 2HB LYS 16 1.654 -12.200 -3.169 117 1HG LYS 16 1HG LYS 16 0.377 -11.381 -5.712 118 2HG LYS 16 2HG LYS 16 -0.194 -12.990 -5.288 119 1HD LYS 16 1HD LYS 16 -0.320 -10.522 -3.430 120 2HD LYS 16 2HD LYS 16 -1.645 -11.143 -4.412 121 1HE LYS 16 1HE LYS 16 -1.976 -11.855 -2.077 122 2HE LYS 16 2HE LYS 16 -1.787 -13.270 -3.133 123 1HZ LYS 16 1HZ LYS 16 0.686 -12.038 -1.952 124 2HZ LYS 16 2HZ LYS 16 -0.188 -13.002 -0.948 125 3HZ LYS 16 3HZ LYS 16 0.469 -13.604 -2.340 126 H ASN 17 H ASN 17 1.938 -10.396 -6.787 127 HA ASN 17 HA ASN 17 1.995 -12.594 -8.814 128 1HB ASN 17 1HB ASN 17 -0.134 -11.762 -8.737 129 2HB ASN 17 2HB ASN 17 0.351 -10.143 -8.310 130 1HD2 ASN 17 1HD2 ASN 17 -0.242 -8.987 -11.556 131 2HD2 ASN 17 2HD2 ASN 17 -0.225 -8.659 -9.793 132 H ALA 18 H ALA 18 3.264 -9.233 -8.733 133 HA ALA 18 HA ALA 18 5.461 -8.560 -9.580 134 1HB ALA 18 1HB ALA 18 6.124 -10.984 -9.366 135 2HB ALA 18 2HB ALA 18 5.405 -11.317 -10.957 136 3HB ALA 18 3HB ALA 18 6.812 -10.245 -10.838 137 H ASP 19 H ASP 19 3.198 -7.472 -10.780 138 HA ASP 19 HA ASP 19 4.434 -6.901 -13.520 139 1HB ASP 19 1HB ASP 19 1.800 -7.264 -12.938 140 2HB ASP 19 2HB ASP 19 1.869 -5.541 -12.597 141 H GLY 20 H GLY 20 5.448 -6.091 -10.705 142 1HA GLY 20 1HA GLY 20 6.289 -4.161 -9.491 143 2HA GLY 20 2HA GLY 20 6.256 -3.298 -11.033 144 H TYR 21 H TYR 21 3.216 -4.525 -9.917 145 HA TYR 21 HA TYR 21 2.343 -1.743 -8.930 146 1HB TYR 21 1HB TYR 21 0.845 -3.959 -10.431 147 2HB TYR 21 2HB TYR 21 -0.043 -2.842 -9.437 148 HD1 TYR 21 HD1 TYR 21 2.959 -1.831 -11.472 149 HD2 TYR 21 HD2 TYR 21 -1.325 -1.695 -11.105 150 HE1 TYR 21 HE1 TYR 21 2.837 -0.253 -13.361 151 HE2 TYR 21 HE2 TYR 21 -1.418 -0.136 -13.024 152 HH TYR 21 HH TYR 21 0.285 0.246 -15.154 153 H ILE 22 H ILE 22 0.880 -1.615 -7.086 154 HA ILE 22 HA ILE 22 0.069 -4.272 -5.770 155 HB ILE 22 HB ILE 22 0.509 -1.580 -4.369 156 1HG1 ILE 22 1HG1 ILE 22 2.269 -4.069 -4.544 157 2HG1 ILE 22 2HG1 ILE 22 2.724 -2.388 -4.609 158 1HG2 ILE 22 1HG2 ILE 22 -1.368 -2.884 -3.272 159 2HG2 ILE 22 2HG2 ILE 22 -0.314 -4.303 -3.112 160 3HG2 ILE 22 3HG2 ILE 22 0.023 -2.807 -2.204 161 1HD1 ILE 22 1HD1 ILE 22 2.242 -2.106 -2.123 162 2HD1 ILE 22 2HD1 ILE 22 1.975 -3.865 -2.021 163 3HD1 ILE 22 3HD1 ILE 22 3.564 -3.237 -2.505 164 H ASP 23 H ASP 23 -2.006 -4.725 -5.691 165 HA ASP 23 HA ASP 23 -4.031 -2.659 -6.689 166 1HB ASP 23 1HB ASP 23 -5.395 -4.840 -7.250 167 2HB ASP 23 2HB ASP 23 -4.017 -4.420 -8.258 168 H ILE 24 H ILE 24 -6.341 -3.178 -5.953 169 HA ILE 24 HA ILE 24 -6.538 -2.882 -2.960 170 HB ILE 24 HB ILE 24 -8.077 -1.827 -4.913 171 1HG1 ILE 24 1HG1 ILE 24 -8.728 -2.392 -1.989 172 2HG1 ILE 24 2HG1 ILE 24 -8.427 -0.871 -2.784 173 1HG2 ILE 24 1HG2 ILE 24 -9.106 -4.019 -5.672 174 2HG2 ILE 24 2HG2 ILE 24 -9.746 -4.299 -4.040 175 3HG2 ILE 24 3HG2 ILE 24 -10.345 -2.949 -5.038 176 1HD1 ILE 24 1HD1 ILE 24 -10.683 -0.980 -3.960 177 2HD1 ILE 24 2HD1 ILE 24 -11.073 -2.419 -2.987 178 3HD1 ILE 24 3HD1 ILE 24 -10.775 -0.863 -2.183 179 H GLU 25 H GLU 25 -6.785 -5.461 -5.286 180 HA GLU 25 HA GLU 25 -8.197 -7.425 -3.514 181 1HB GLU 25 1HB GLU 25 -6.887 -7.643 -6.242 182 2HB GLU 25 2HB GLU 25 -7.314 -9.084 -5.370 183 1HG GLU 25 1HG GLU 25 -9.658 -8.760 -5.677 184 2HG GLU 25 2HG GLU 25 -9.542 -7.011 -5.734 185 H GLU 26 H GLU 26 -4.864 -6.568 -4.125 186 HA GLU 26 HA GLU 26 -3.692 -8.818 -2.523 187 1HB GLU 26 1HB GLU 26 -2.458 -6.348 -3.799 188 2HB GLU 26 2HB GLU 26 -1.532 -7.377 -2.749 189 1HG GLU 26 1HG GLU 26 -1.874 -9.341 -4.338 190 2HG GLU 26 2HG GLU 26 -2.865 -8.342 -5.384 191 H LEU 27 H LEU 27 -4.928 -5.682 -1.784 192 HA LEU 27 HA LEU 27 -3.085 -4.890 0.327 193 1HB LEU 27 1HB LEU 27 -4.452 -3.324 -1.013 194 2HB LEU 27 2HB LEU 27 -5.928 -3.906 -0.288 195 HG LEU 27 HG LEU 27 -5.313 -1.720 0.672 196 1HD1 LEU 27 1HD1 LEU 27 -6.542 -3.336 2.124 197 2HD1 LEU 27 2HD1 LEU 27 -5.006 -3.973 2.777 198 3HD1 LEU 27 3HD1 LEU 27 -5.500 -2.282 3.077 199 1HD2 LEU 27 1HD2 LEU 27 -2.730 -3.072 1.755 200 2HD2 LEU 27 2HD2 LEU 27 -2.806 -1.816 0.483 201 3HD2 LEU 27 3HD2 LEU 27 -3.302 -1.423 2.133 202 H GLY 28 H GLY 28 -6.456 -6.121 0.820 203 1HA GLY 28 1HA GLY 28 -6.133 -6.824 3.627 204 2HA GLY 28 2HA GLY 28 -7.313 -7.573 2.545 205 H GLU 29 H GLU 29 -5.052 -8.686 0.796 206 HA GLU 29 HA GLU 29 -4.090 -10.974 2.389 207 1HB GLU 29 1HB GLU 29 -2.965 -10.110 -0.305 208 2HB GLU 29 2HB GLU 29 -2.874 -11.688 0.415 209 1HG GLU 29 1HG GLU 29 -5.320 -10.343 -0.883 210 2HG GLU 29 2HG GLU 29 -4.572 -11.872 -1.307 211 H ILE 30 H ILE 30 -2.660 -7.860 1.710 212 HA ILE 30 HA ILE 30 0.055 -8.335 2.886 213 HB ILE 30 HB ILE 30 -1.576 -5.802 2.391 214 1HG1 ILE 30 1HG1 ILE 30 1.202 -6.582 1.276 215 2HG1 ILE 30 2HG1 ILE 30 -0.291 -6.905 0.438 216 1HG2 ILE 30 1HG2 ILE 30 -0.314 -5.402 4.537 217 2HG2 ILE 30 2HG2 ILE 30 1.210 -5.898 3.755 218 3HG2 ILE 30 3HG2 ILE 30 0.354 -4.419 3.238 219 1HD1 ILE 30 1HD1 ILE 30 0.640 -4.026 1.074 220 2HD1 ILE 30 2HD1 ILE 30 0.725 -4.870 -0.486 221 3HD1 ILE 30 3HD1 ILE 30 -0.856 -4.495 0.226 222 H LEU 31 H LEU 31 -2.827 -6.679 4.286 223 HA LEU 31 HA LEU 31 -1.641 -6.581 7.045 224 1HB LEU 31 1HB LEU 31 -4.600 -6.193 6.619 225 2HB LEU 31 2HB LEU 31 -3.513 -5.344 7.690 226 HG LEU 31 HG LEU 31 -4.180 -4.769 4.801 227 1HD1 LEU 31 1HD1 LEU 31 -3.619 -3.018 7.289 228 2HD1 LEU 31 2HD1 LEU 31 -4.086 -2.405 5.680 229 3HD1 LEU 31 3HD1 LEU 31 -5.206 -3.432 6.583 230 1HD2 LEU 31 1HD2 LEU 31 -1.424 -4.044 6.032 231 2HD2 LEU 31 2HD2 LEU 31 -1.717 -5.020 4.565 232 3HD2 LEU 31 3HD2 LEU 31 -2.112 -3.298 4.565 233 H ARG 32 H ARG 32 -3.808 -8.748 5.330 234 HA ARG 32 HA ARG 32 -4.603 -10.135 7.957 235 1HB ARG 32 1HB ARG 32 -5.982 -8.491 6.098 236 2HB ARG 32 2HB ARG 32 -6.578 -10.107 5.723 237 1HG ARG 32 1HG ARG 32 -6.545 -8.840 8.558 238 2HG ARG 32 2HG ARG 32 -7.921 -8.753 7.442 239 1HD ARG 32 1HD ARG 32 -7.251 -11.545 7.486 240 2HD ARG 32 2HD ARG 32 -7.046 -11.031 9.175 241 HE ARG 32 HE ARG 32 -9.591 -10.120 7.764 242 1HH1 ARG 32 2HH1 ARG 32 -8.181 -12.210 10.155 243 2HH1 ARG 32 1HH1 ARG 32 -9.808 -12.573 10.905 244 1HH2 ARG 32 1HH2 ARG 32 -11.400 -10.527 8.655 245 2HH2 ARG 32 2HH2 ARG 32 -11.526 -11.648 10.087 246 H ALA 33 H ALA 33 -2.959 -10.814 5.046 247 HA ALA 33 HA ALA 33 -3.276 -13.785 5.626 248 1HB ALA 33 1HB ALA 33 -3.437 -12.991 3.272 249 2HB ALA 33 2HB ALA 33 -1.803 -12.279 3.364 250 3HB ALA 33 3HB ALA 33 -2.022 -14.039 3.473 251 H THR 34 H THR 34 -0.932 -14.880 4.986 252 HA THR 34 HA THR 34 0.508 -14.638 7.608 253 HB THR 34 HB THR 34 1.673 -16.672 7.031 254 HG1 THR 34 HG1 THR 34 2.249 -16.635 4.992 255 1HG2 THR 34 2HG2 THR 34 -0.848 -16.865 7.557 256 2HG2 THR 34 3HG2 THR 34 -1.167 -16.904 5.804 257 3HG2 THR 34 1HG2 THR 34 -0.236 -18.210 6.561 258 H GLY 35 H GLY 35 1.409 -14.225 4.176 259 1HA GLY 35 1HA GLY 35 2.475 -11.789 3.989 260 2HA GLY 35 2HA GLY 35 3.798 -12.456 4.954 261 1HN NH2 36 1HN NH2 36 5.219 -14.176 3.992 262 2HN NH2 36 2HN NH2 36 5.411 -14.243 2.220 263 1H ACE 37 1HH3 ACE 37 -12.948 -4.220 13.864 264 2H ACE 37 2HH3 ACE 37 -11.388 -3.852 14.677 265 3H ACE 37 3HH3 ACE 37 -12.584 -2.559 14.402 266 H VAL 38 H VAL 38 -10.970 -5.061 12.392 267 HA VAL 38 HA VAL 38 -10.101 -2.861 10.422 268 HB VAL 38 HB VAL 38 -8.196 -4.470 9.771 269 1HG1 VAL 38 1HG1 VAL 38 -8.101 -3.062 12.539 270 2HG1 VAL 38 2HG1 VAL 38 -6.665 -3.631 11.658 271 3HG1 VAL 38 3HG1 VAL 38 -7.669 -2.350 10.974 272 1HG2 VAL 38 1HG2 VAL 38 -8.901 -6.530 11.064 273 2HG2 VAL 38 2HG2 VAL 38 -7.301 -5.972 11.596 274 3HG2 VAL 38 3HG2 VAL 38 -8.739 -5.634 12.590 275 H THR 39 H THR 39 -12.200 -3.207 9.466 276 HA THR 39 HA THR 39 -12.593 -5.835 7.929 277 HB THR 39 HB THR 39 -14.932 -5.556 7.876 278 HG1 THR 39 HG1 THR 39 -14.850 -3.039 9.126 279 1HG2 THR 39 2HG2 THR 39 -14.043 -4.438 10.628 280 2HG2 THR 39 3HG2 THR 39 -15.631 -5.162 10.275 281 3HG2 THR 39 1HG2 THR 39 -14.163 -6.158 10.190 282 H GLU 40 H GLU 40 -14.051 -5.045 5.773 283 HA GLU 40 HA GLU 40 -11.660 -4.215 4.170 284 1HB GLU 40 1HB GLU 40 -12.810 -6.136 3.401 285 2HB GLU 40 2HB GLU 40 -14.371 -5.375 3.431 286 1HG GLU 40 1HG GLU 40 -13.838 -4.023 1.394 287 2HG GLU 40 2HG GLU 40 -12.157 -4.524 1.428 288 H GLU 41 H GLU 41 -14.939 -2.883 4.581 289 HA GLU 41 HA GLU 41 -14.669 -0.707 2.736 290 1HB GLU 41 1HB GLU 41 -16.554 -0.207 4.989 291 2HB GLU 41 2HB GLU 41 -16.796 -0.086 3.273 292 1HG GLU 41 1HG GLU 41 -16.658 -2.850 3.456 293 2HG GLU 41 2HG GLU 41 -17.188 -2.505 5.093 294 H ASP 42 H ASP 42 -13.613 -0.765 6.055 295 HA ASP 42 HA ASP 42 -12.877 2.152 6.250 296 1HB ASP 42 1HB ASP 42 -12.374 -0.336 7.966 297 2HB ASP 42 2HB ASP 42 -11.440 1.125 8.257 298 H ILE 43 H ILE 43 -11.171 -0.874 5.489 299 HA ILE 43 HA ILE 43 -8.521 0.319 4.823 300 HB ILE 43 HB ILE 43 -9.824 -2.349 4.202 301 1HG1 ILE 43 1HG1 ILE 43 -6.991 -1.899 5.324 302 2HG1 ILE 43 2HG1 ILE 43 -8.381 -1.775 6.368 303 1HG2 ILE 43 1HG2 ILE 43 -8.703 -1.771 2.015 304 2HG2 ILE 43 2HG2 ILE 43 -7.185 -1.403 2.859 305 3HG2 ILE 43 3HG2 ILE 43 -7.820 -3.067 2.809 306 1HD1 ILE 43 1HD1 ILE 43 -9.105 -4.137 5.816 307 2HD1 ILE 43 2HD1 ILE 43 -7.613 -4.350 4.862 308 3HD1 ILE 43 3HD1 ILE 43 -7.516 -4.031 6.607 309 H GLU 44 H GLU 44 -11.559 -0.008 3.090 310 HA GLU 44 HA GLU 44 -10.456 0.715 0.394 311 1HB GLU 44 1HB GLU 44 -12.263 -0.299 -0.325 312 2HB GLU 44 2HB GLU 44 -12.816 -0.544 1.304 313 1HG GLU 44 1HG GLU 44 -14.681 0.707 0.801 314 2HG GLU 44 2HG GLU 44 -13.681 2.143 0.681 315 H ASP 45 H ASP 45 -12.001 2.456 3.021 316 HA ASP 45 HA ASP 45 -12.234 5.081 1.574 317 1HB ASP 45 1HB ASP 45 -12.692 4.167 4.468 318 2HB ASP 45 2HB ASP 45 -12.699 5.878 4.061 319 H LEU 46 H LEU 46 -9.932 3.710 3.946 320 HA LEU 46 HA LEU 46 -7.801 5.748 3.654 321 1HB LEU 46 1HB LEU 46 -7.827 3.924 5.346 322 2HB LEU 46 2HB LEU 46 -7.604 2.710 4.109 323 HG LEU 46 HG LEU 46 -5.442 4.828 4.181 324 1HD1 LEU 46 1HD1 LEU 46 -6.237 4.101 6.679 325 2HD1 LEU 46 2HD1 LEU 46 -5.139 2.729 6.344 326 3HD1 LEU 46 3HD1 LEU 46 -4.549 4.413 6.249 327 1HD2 LEU 46 1HD2 LEU 46 -5.676 1.895 3.497 328 2HD2 LEU 46 2HD2 LEU 46 -4.600 3.160 2.834 329 3HD2 LEU 46 3HD2 LEU 46 -4.183 2.371 4.357 330 H MET 47 H MET 47 -8.231 2.775 1.699 331 HA MET 47 HA MET 47 -6.228 3.239 -0.261 332 1HB MET 47 1HB MET 47 -7.621 1.150 -0.031 333 2HB MET 47 2HB MET 47 -8.979 1.971 -0.782 334 1HG MET 47 1HG MET 47 -8.199 1.073 -2.755 335 2HG MET 47 2HG MET 47 -7.049 2.423 -2.739 336 1HE MET 47 1HE MET 47 -6.388 0.103 -4.414 337 2HE MET 47 2HE MET 47 -5.165 1.359 -4.068 338 3HE MET 47 3HE MET 47 -4.720 -0.367 -3.937 339 H LYS 48 H LYS 48 -9.570 4.507 -0.352 340 HA LYS 48 HA LYS 48 -9.236 6.126 -2.843 341 1HB LYS 48 1HB LYS 48 -11.312 5.613 -0.755 342 2HB LYS 48 2HB LYS 48 -11.431 7.213 -1.419 343 1HG LYS 48 1HG LYS 48 -12.267 6.398 -3.491 344 2HG LYS 48 2HG LYS 48 -11.118 5.098 -3.543 345 1HD LYS 48 1HD LYS 48 -12.858 3.705 -3.214 346 2HD LYS 48 2HD LYS 48 -12.672 4.033 -1.523 347 1HE LYS 48 1HE LYS 48 -15.026 4.385 -1.836 348 2HE LYS 48 2HE LYS 48 -14.434 6.032 -1.964 349 1HZ LYS 48 1HZ LYS 48 -14.175 5.407 -4.544 350 2HZ LYS 48 2HZ LYS 48 -15.256 4.280 -4.283 351 3HZ LYS 48 3HZ LYS 48 -15.646 5.866 -4.007 352 H ASP 49 H ASP 49 -8.484 6.616 0.521 353 HA ASP 49 HA ASP 49 -8.279 9.628 0.432 354 1HB ASP 49 1HB ASP 49 -8.846 8.525 2.575 355 2HB ASP 49 2HB ASP 49 -7.358 7.588 2.555 356 H SER 50 H SER 50 -5.798 6.986 0.521 357 HA SER 50 HA SER 50 -3.560 8.428 -0.446 358 1HB SER 50 1HB SER 50 -4.378 5.605 -1.404 359 2HB SER 50 2HB SER 50 -2.752 6.278 -1.479 360 HG SER 50 HG SER 50 -3.812 6.533 1.025 361 H ASP 51 H ASP 51 -6.282 7.284 -2.422 362 HA ASP 51 HA ASP 51 -5.128 7.957 -5.021 363 1HB ASP 51 1HB ASP 51 -6.969 6.234 -4.452 364 2HB ASP 51 2HB ASP 51 -8.121 7.561 -4.386 365 H LYS 52 H LYS 52 -5.437 9.584 -6.459 366 HA LYS 52 HA LYS 52 -7.546 11.681 -5.942 367 1HB LYS 52 1HB LYS 52 -4.709 12.488 -6.783 368 2HB LYS 52 2HB LYS 52 -6.035 13.597 -6.617 369 1HG LYS 52 1HG LYS 52 -4.998 13.968 -4.521 370 2HG LYS 52 2HG LYS 52 -6.051 12.674 -4.043 371 1HD LYS 52 1HD LYS 52 -4.387 11.002 -3.997 372 2HD LYS 52 2HD LYS 52 -3.280 11.819 -5.050 373 1HE LYS 52 1HE LYS 52 -3.941 12.628 -2.102 374 2HE LYS 52 2HE LYS 52 -2.506 11.750 -2.629 375 1HZ LYS 52 1HZ LYS 52 -2.883 14.321 -4.105 376 2HZ LYS 52 2HZ LYS 52 -2.498 14.494 -2.503 377 3HZ LYS 52 3HZ LYS 52 -1.551 13.670 -3.546 378 H ASN 53 H ASN 53 -5.024 10.717 -8.299 379 HA ASN 53 HA ASN 53 -6.457 11.761 -10.603 380 1HB ASN 53 1HB ASN 53 -4.541 11.011 -11.907 381 2HB ASN 53 2HB ASN 53 -3.928 11.497 -10.351 382 1HD2 ASN 53 1HD2 ASN 53 -2.897 7.929 -11.608 383 2HD2 ASN 53 2HD2 ASN 53 -3.511 9.289 -12.651 384 H ASN 54 H ASN 54 -7.486 9.145 -9.002 385 HA ASN 54 HA ASN 54 -9.073 7.416 -9.503 386 1HB ASN 54 1HB ASN 54 -9.287 9.184 -12.017 387 2HB ASN 54 2HB ASN 54 -10.111 7.650 -11.981 388 1HD2 ASN 54 1HD2 ASN 54 -11.652 9.702 -8.902 389 2HD2 ASN 54 2HD2 ASN 54 -9.943 9.072 -8.856 390 H ASP 55 H ASP 55 -6.165 7.167 -10.125 391 HA ASP 55 HA ASP 55 -6.343 4.553 -11.703 392 1HB ASP 55 1HB ASP 55 -4.106 6.396 -10.951 393 2HB ASP 55 2HB ASP 55 -3.720 4.703 -10.680 394 H GLY 56 H GLY 56 -7.883 3.675 -10.228 395 1HA GLY 56 1HA GLY 56 -7.753 3.227 -7.344 396 2HA GLY 56 2HA GLY 56 -8.509 2.120 -8.496 397 H ARG 57 H ARG 57 -5.916 1.652 -9.927 398 HA ARG 57 HA ARG 57 -4.494 -0.198 -7.981 399 1HB ARG 57 1HB ARG 57 -3.913 0.246 -10.968 400 2HB ARG 57 2HB ARG 57 -3.348 -1.089 -9.963 401 1HG ARG 57 1HG ARG 57 -6.038 -1.457 -9.574 402 2HG ARG 57 2HG ARG 57 -6.155 -0.557 -11.084 403 1HD ARG 57 1HD ARG 57 -4.195 -2.927 -10.934 404 2HD ARG 57 2HD ARG 57 -5.924 -3.252 -11.043 405 HE ARG 57 HE ARG 57 -5.914 -1.438 -13.059 406 1HH1 ARG 57 2HH1 ARG 57 -3.591 -3.961 -12.575 407 2HH1 ARG 57 1HH1 ARG 57 -3.124 -3.942 -14.355 408 1HH2 ARG 57 1HH2 ARG 57 -5.346 -1.411 -14.972 409 2HH2 ARG 57 2HH2 ARG 57 -4.143 -2.608 -15.667 410 H ILE 58 H ILE 58 -2.460 -0.021 -7.262 411 HA ILE 58 HA ILE 58 -1.446 2.842 -7.173 412 HB ILE 58 HB ILE 58 -1.410 0.589 -5.109 413 1HG1 ILE 58 1HG1 ILE 58 -2.747 3.379 -5.110 414 2HG1 ILE 58 2HG1 ILE 58 -3.562 1.847 -5.256 415 1HG2 ILE 58 1HG2 ILE 58 0.797 1.815 -4.897 416 2HG2 ILE 58 2HG2 ILE 58 -0.057 3.367 -4.778 417 3HG2 ILE 58 3HG2 ILE 58 -0.226 2.139 -3.501 418 1HD1 ILE 58 1HD1 ILE 58 -2.850 1.157 -2.922 419 2HD1 ILE 58 2HD1 ILE 58 -2.126 2.769 -2.695 420 3HD1 ILE 58 3HD1 ILE 58 -3.875 2.613 -2.968 421 H ASP 59 H ASP 59 0.666 3.406 -7.266 422 HA ASP 59 HA ASP 59 2.734 1.306 -8.099 423 1HB ASP 59 1HB ASP 59 3.715 2.881 -9.714 424 2HB ASP 59 2HB ASP 59 2.005 2.671 -10.065 425 H PHE 60 H PHE 60 5.063 2.710 -7.991 426 HA PHE 60 HA PHE 60 5.663 2.201 -5.125 427 1HB PHE 60 1HB PHE 60 7.199 1.909 -7.235 428 2HB PHE 60 2HB PHE 60 7.496 3.613 -7.150 429 HD1 PHE 60 HD1 PHE 60 7.234 2.825 -3.738 430 HD2 PHE 60 HD2 PHE 60 9.848 2.115 -7.072 431 HE1 PHE 60 HE1 PHE 60 9.160 2.651 -2.203 432 HE2 PHE 60 HE2 PHE 60 11.751 1.913 -5.539 433 HZ PHE 60 HZ PHE 60 11.430 2.237 -3.106 434 H ASP 61 H ASP 61 5.299 5.175 -7.013 435 HA ASP 61 HA ASP 61 5.971 7.239 -5.062 436 1HB ASP 61 1HB ASP 61 3.592 7.589 -7.054 437 2HB ASP 61 2HB ASP 61 4.977 8.592 -6.709 438 H GLU 62 H GLU 62 2.672 6.394 -5.939 439 HA GLU 62 HA GLU 62 1.054 7.142 -3.717 440 1HB GLU 62 1HB GLU 62 0.829 4.463 -5.157 441 2HB GLU 62 2HB GLU 62 -0.417 5.219 -4.207 442 1HG GLU 62 1HG GLU 62 0.680 6.710 -6.674 443 2HG GLU 62 2HG GLU 62 -0.450 5.388 -6.899 444 H PHE 63 H PHE 63 3.315 4.407 -3.742 445 HA PHE 63 HA PHE 63 2.361 3.095 -1.216 446 1HB PHE 63 1HB PHE 63 3.677 1.989 -3.137 447 2HB PHE 63 2HB PHE 63 5.091 2.841 -2.618 448 HD1 PHE 63 HD1 PHE 63 2.648 1.249 -0.193 449 HD2 PHE 63 HD2 PHE 63 6.463 0.916 -2.155 450 HE1 PHE 63 HE1 PHE 63 3.355 -0.463 1.436 451 HE2 PHE 63 HE2 PHE 63 7.115 -0.834 -0.577 452 HZ PHE 63 HZ PHE 63 5.611 -1.464 1.281 453 H LEU 64 H LEU 64 5.021 5.333 -1.996 454 HA LEU 64 HA LEU 64 6.078 5.624 0.712 455 1HB LEU 64 1HB LEU 64 6.235 7.518 -1.691 456 2HB LEU 64 2HB LEU 64 7.133 7.790 -0.214 457 HG LEU 64 HG LEU 64 7.491 5.106 -1.614 458 1HD1 LEU 64 1HD1 LEU 64 8.702 7.773 -2.621 459 2HD1 LEU 64 2HD1 LEU 64 9.273 6.151 -3.096 460 3HD1 LEU 64 3HD1 LEU 64 7.627 6.649 -3.497 461 1HD2 LEU 64 1HD2 LEU 64 9.428 6.985 -0.070 462 2HD2 LEU 64 2HD2 LEU 64 8.757 5.431 0.504 463 3HD2 LEU 64 3HD2 LEU 64 9.900 5.452 -0.845 464 H LYS 65 H LYS 65 3.405 7.359 -0.820 465 HA LYS 65 HA LYS 65 2.866 9.150 1.512 466 1HB LYS 65 1HB LYS 65 1.587 8.305 -1.120 467 2HB LYS 65 2HB LYS 65 0.607 9.244 -0.009 468 1HG LYS 65 1HG LYS 65 2.571 11.034 -0.134 469 2HG LYS 65 2HG LYS 65 3.216 10.044 -1.456 470 1HD LYS 65 1HD LYS 65 1.881 11.457 -2.710 471 2HD LYS 65 2HD LYS 65 0.729 10.141 -2.460 472 1HE LYS 65 1HE LYS 65 -0.445 12.290 -2.142 473 2HE LYS 65 2HE LYS 65 -0.287 11.542 -0.542 474 1HZ LYS 65 1HZ LYS 65 2.082 12.976 -0.649 475 2HZ LYS 65 2HZ LYS 65 1.150 13.936 -1.578 476 3HZ LYS 65 3HZ LYS 65 0.696 13.649 -0.063 477 H MET 66 H MET 66 1.158 6.181 0.327 478 HA MET 66 HA MET 66 -0.427 5.534 2.551 479 1HB MET 66 1HB MET 66 -0.458 4.209 0.497 480 2HB MET 66 2HB MET 66 1.198 3.686 0.719 481 1HG MET 66 1HG MET 66 0.625 1.890 2.005 482 2HG MET 66 2HG MET 66 -0.434 2.844 3.061 483 1HE MET 66 1HE MET 66 -0.063 0.466 0.085 484 2HE MET 66 2HE MET 66 -1.534 0.721 -0.899 485 3HE MET 66 3HE MET 66 -0.276 1.992 -0.828 486 H MET 67 H MET 67 3.093 5.183 2.509 487 HA MET 67 HA MET 67 3.158 4.066 5.325 488 1HB MET 67 1HB MET 67 5.375 4.841 3.323 489 2HB MET 67 2HB MET 67 5.718 4.357 4.972 490 1HG MET 67 1HG MET 67 4.057 2.482 3.201 491 2HG MET 67 2HG MET 67 5.828 2.502 3.090 492 1HE MET 67 1HE MET 67 3.207 0.782 4.022 493 2HE MET 67 2HE MET 67 4.456 -0.457 4.354 494 3HE MET 67 3HE MET 67 3.347 0.073 5.660 495 H GLU 68 H GLU 68 4.442 7.055 3.753 496 HA GLU 68 HA GLU 68 4.380 8.480 6.408 497 1HB GLU 68 1HB GLU 68 6.966 7.916 4.929 498 2HB GLU 68 2HB GLU 68 6.826 9.346 5.905 499 1HG GLU 68 1HG GLU 68 6.615 6.424 6.911 500 2HG GLU 68 2HG GLU 68 7.934 7.540 7.214 501 H GLY 69 H GLY 69 2.804 8.818 4.093 502 1HA GLY 69 1HA GLY 69 3.240 11.675 3.152 503 2HA GLY 69 2HA GLY 69 1.736 10.758 3.007 504 H VAL 70 H VAL 70 0.400 10.497 4.939 505 HA VAL 70 HA VAL 70 0.443 13.055 6.646 506 HB VAL 70 HB VAL 70 -1.545 12.297 4.489 507 1HG1 VAL 70 1HG1 VAL 70 -2.320 13.959 6.994 508 2HG1 VAL 70 2HG1 VAL 70 -3.285 13.853 5.499 509 3HG1 VAL 70 3HG1 VAL 70 -3.046 12.413 6.491 510 1HG2 VAL 70 1HG2 VAL 70 0.127 14.141 4.047 511 2HG2 VAL 70 2HG2 VAL 70 -1.517 14.761 4.022 512 3HG2 VAL 70 3HG2 VAL 70 -0.475 15.058 5.445 513 H GLN 71 H GLN 71 -0.181 12.730 8.663 514 HA GLN 71 HA GLN 71 -0.981 10.012 9.590 515 1HB GLN 71 1HB GLN 71 -0.025 10.587 11.598 516 2HB GLN 71 2HB GLN 71 0.810 11.717 10.534 517 1HG GLN 71 1HG GLN 71 -1.764 12.495 12.061 518 2HG GLN 71 2HG GLN 71 -0.192 12.636 12.825 519 1HE2 GLN 71 1HE2 GLN 71 0.647 15.562 10.886 520 2HE2 GLN 71 2HE2 GLN 71 1.346 14.105 11.783 521 1HN NH2 72 1HN NH2 72 -2.961 12.471 8.447 522 2HN NH2 72 2HN NH2 72 -4.418 12.152 9.424 No H/Q in entry = 522 Start of MODEL 7 1 1H ACE 1 1HH3 ACE 1 21.556 10.201 2.302 2 2H ACE 1 2HH3 ACE 1 23.125 9.447 2.761 3 3H ACE 1 3HH3 ACE 1 23.000 10.468 1.300 4 H LYS 2 H LYS 2 21.360 7.591 2.652 5 HA LYS 2 HA LYS 2 20.370 6.953 -0.112 6 1HB LYS 2 1HB LYS 2 20.683 4.416 0.328 7 2HB LYS 2 2HB LYS 2 22.043 5.315 -0.308 8 1HG LYS 2 1HG LYS 2 23.250 5.147 1.838 9 2HG LYS 2 2HG LYS 2 21.777 4.913 2.745 10 1HD LYS 2 1HD LYS 2 21.844 2.648 0.986 11 2HD LYS 2 2HD LYS 2 23.537 2.885 1.425 12 1HE LYS 2 1HE LYS 2 21.167 2.573 3.386 13 2HE LYS 2 2HE LYS 2 22.454 1.381 3.126 14 1HZ LYS 2 1HZ LYS 2 23.930 3.660 3.835 15 2HZ LYS 2 2HZ LYS 2 22.545 3.950 4.618 16 3HZ LYS 2 3HZ LYS 2 23.321 2.646 5.003 17 H SER 3 H SER 3 18.325 6.170 -0.120 18 HA SER 3 HA SER 3 16.753 5.411 2.360 19 1HB SER 3 1HB SER 3 17.431 8.084 1.912 20 2HB SER 3 2HB SER 3 15.822 8.028 1.232 21 HG SER 3 HG SER 3 15.293 8.290 3.248 22 H GLU 4 H GLU 4 17.016 4.133 -0.264 23 HA GLU 4 HA GLU 4 14.282 4.338 -1.431 24 1HB GLU 4 1HB GLU 4 16.194 4.883 -3.629 25 2HB GLU 4 2HB GLU 4 14.505 5.266 -3.398 26 1HG GLU 4 1HG GLU 4 16.300 6.892 -1.608 27 2HG GLU 4 2HG GLU 4 16.649 7.118 -3.317 28 H GLU 5 H GLU 5 17.514 2.910 -1.771 29 HA GLU 5 HA GLU 5 16.864 0.536 -3.144 30 1HB GLU 5 1HB GLU 5 19.105 0.847 -2.839 31 2HB GLU 5 2HB GLU 5 18.988 1.252 -1.154 32 1HG GLU 5 1HG GLU 5 18.513 -1.314 -0.707 33 2HG GLU 5 2HG GLU 5 18.968 -1.592 -2.378 34 H GLU 6 H GLU 6 16.201 1.083 0.275 35 HA GLU 6 HA GLU 6 15.364 -1.700 0.787 36 1HB GLU 6 1HB GLU 6 15.332 0.792 2.521 37 2HB GLU 6 2HB GLU 6 14.709 -0.724 3.101 38 1HG GLU 6 1HG GLU 6 17.114 -1.732 2.567 39 2HG GLU 6 2HG GLU 6 17.645 -0.071 2.380 40 H LEU 7 H LEU 7 13.429 1.301 0.857 41 HA LEU 7 HA LEU 7 10.711 0.091 0.980 42 1HB LEU 7 1HB LEU 7 11.681 2.752 -0.196 43 2HB LEU 7 2HB LEU 7 9.996 2.304 -0.076 44 HG LEU 7 HG LEU 7 11.481 3.734 1.836 45 1HD1 LEU 7 1HD1 LEU 7 9.028 3.881 1.445 46 2HD1 LEU 7 2HD1 LEU 7 8.772 2.277 2.179 47 3HD1 LEU 7 3HD1 LEU 7 9.362 3.640 3.166 48 1HD2 LEU 7 1HD2 LEU 7 10.947 0.880 2.952 49 2HD2 LEU 7 2HD2 LEU 7 12.530 1.692 2.806 50 3HD2 LEU 7 3HD2 LEU 7 11.330 2.315 3.940 51 H ALA 8 H ALA 8 12.988 0.640 -1.675 52 HA ALA 8 HA ALA 8 11.302 -0.200 -3.871 53 1HB ALA 8 1HB ALA 8 14.373 -0.344 -3.518 54 2HB ALA 8 2HB ALA 8 13.515 -0.484 -5.065 55 3HB ALA 8 3HB ALA 8 13.432 1.027 -4.151 56 H ASN 9 H ASN 9 13.998 -2.366 -2.820 57 HA ASN 9 HA ASN 9 12.983 -4.912 -3.334 58 1HB ASN 9 1HB ASN 9 14.476 -3.969 -0.793 59 2HB ASN 9 2HB ASN 9 14.173 -5.653 -1.121 60 1HD2 ASN 9 1HD2 ASN 9 17.416 -5.441 -2.590 61 2HD2 ASN 9 2HD2 ASN 9 16.453 -5.943 -1.130 62 H ALA 10 H ALA 10 11.792 -2.880 -0.694 63 HA ALA 10 HA ALA 10 9.895 -4.860 0.425 64 1HB ALA 10 1HB ALA 10 10.934 -2.981 1.710 65 2HB ALA 10 2HB ALA 10 10.026 -1.782 0.753 66 3HB ALA 10 3HB ALA 10 9.164 -2.917 1.816 67 H PHE 11 H PHE 11 9.405 -2.175 -1.895 68 HA PHE 11 HA PHE 11 6.543 -2.573 -2.328 69 1HB PHE 11 1HB PHE 11 7.823 -0.512 -2.920 70 2HB PHE 11 2HB PHE 11 8.680 -1.362 -4.161 71 HD1 PHE 11 HD1 PHE 11 5.295 0.025 -3.317 72 HD2 PHE 11 HD2 PHE 11 7.724 -1.786 -6.371 73 HE1 PHE 11 HE1 PHE 11 3.687 0.745 -5.039 74 HE2 PHE 11 HE2 PHE 11 6.103 -1.064 -8.075 75 HZ PHE 11 HZ PHE 11 4.115 0.237 -7.425 76 H ARG 12 H ARG 12 9.297 -4.011 -4.136 77 HA ARG 12 HA ARG 12 7.745 -5.855 -5.731 78 1HB ARG 12 1HB ARG 12 10.058 -5.608 -6.250 79 2HB ARG 12 2HB ARG 12 10.590 -5.986 -4.616 80 1HG ARG 12 1HG ARG 12 11.118 -7.960 -5.855 81 2HG ARG 12 2HG ARG 12 9.632 -8.410 -5.010 82 1HD ARG 12 1HD ARG 12 8.362 -8.528 -6.966 83 2HD ARG 12 2HD ARG 12 9.193 -7.142 -7.723 84 HE ARG 12 HE ARG 12 10.571 -9.881 -7.444 85 1HH1 ARG 12 2HH1 ARG 12 9.804 -7.118 -9.389 86 2HH1 ARG 12 1HH1 ARG 12 10.757 -7.755 -10.814 87 1HH2 ARG 12 1HH2 ARG 12 11.628 -10.576 -9.046 88 2HH2 ARG 12 2HH2 ARG 12 11.740 -9.643 -10.609 89 H ILE 13 H ILE 13 8.923 -6.354 -2.370 90 HA ILE 13 HA ILE 13 8.321 -9.278 -2.367 91 HB ILE 13 HB ILE 13 9.275 -7.336 -0.213 92 1HG1 ILE 13 1HG1 ILE 13 10.830 -8.567 -2.094 93 2HG1 ILE 13 2HG1 ILE 13 11.401 -8.167 -0.497 94 1HG2 ILE 13 1HG2 ILE 13 7.797 -8.988 0.997 95 2HG2 ILE 13 2HG2 ILE 13 8.665 -10.350 0.249 96 3HG2 ILE 13 3HG2 ILE 13 9.476 -9.283 1.412 97 1HD1 ILE 13 1HD1 ILE 13 10.947 -10.490 0.358 98 2HD1 ILE 13 2HD1 ILE 13 10.416 -10.979 -1.270 99 3HD1 ILE 13 3HD1 ILE 13 12.093 -10.463 -1.002 100 H PHE 14 H PHE 14 6.653 -6.379 -1.316 101 HA PHE 14 HA PHE 14 4.214 -7.402 -0.026 102 1HB PHE 14 1HB PHE 14 4.809 -5.075 -1.941 103 2HB PHE 14 2HB PHE 14 3.163 -5.472 -1.576 104 HD1 PHE 14 HD1 PHE 14 5.688 -5.928 1.104 105 HD2 PHE 14 HD2 PHE 14 2.769 -3.250 -0.556 106 HE1 PHE 14 HE1 PHE 14 5.681 -4.631 3.198 107 HE2 PHE 14 HE2 PHE 14 2.783 -1.944 1.532 108 HZ PHE 14 HZ PHE 14 4.258 -2.608 3.400 109 H ASP 15 H ASP 15 4.569 -6.688 -3.521 110 HA ASP 15 HA ASP 15 1.890 -7.610 -4.020 111 1HB ASP 15 1HB ASP 15 3.002 -5.790 -5.273 112 2HB ASP 15 2HB ASP 15 4.153 -6.905 -5.993 113 H LYS 16 H LYS 16 1.060 -9.271 -5.531 114 HA LYS 16 HA LYS 16 1.917 -11.846 -4.268 115 1HB LYS 16 1HB LYS 16 -0.416 -11.049 -6.072 116 2HB LYS 16 2HB LYS 16 -0.027 -12.740 -5.916 117 1HG LYS 16 1HG LYS 16 -1.096 -10.762 -3.812 118 2HG LYS 16 2HG LYS 16 -1.805 -12.278 -4.353 119 1HD LYS 16 1HD LYS 16 0.408 -11.816 -2.314 120 2HD LYS 16 2HD LYS 16 -1.031 -12.829 -2.222 121 1HE LYS 16 1HE LYS 16 0.887 -13.802 -4.298 122 2HE LYS 16 2HE LYS 16 1.541 -13.858 -2.649 123 1HZ LYS 16 1HZ LYS 16 -1.091 -14.764 -2.280 124 2HZ LYS 16 2HZ LYS 16 -0.716 -15.408 -3.755 125 3HZ LYS 16 3HZ LYS 16 0.219 -15.739 -2.465 126 H ASN 17 H ASN 17 2.130 -10.281 -7.409 127 HA ASN 17 HA ASN 17 3.710 -12.638 -8.548 128 1HB ASN 17 1HB ASN 17 2.437 -11.932 -10.776 129 2HB ASN 17 2HB ASN 17 1.720 -13.013 -9.610 130 1HD2 ASN 17 1HD2 ASN 17 -0.291 -9.755 -10.637 131 2HD2 ASN 17 2HD2 ASN 17 1.400 -9.949 -11.207 132 H ALA 18 H ALA 18 3.054 -9.137 -9.227 133 HA ALA 18 HA ALA 18 4.751 -7.392 -9.015 134 1HB ALA 18 1HB ALA 18 6.006 -9.038 -7.573 135 2HB ALA 18 2HB ALA 18 6.712 -9.770 -9.031 136 3HB ALA 18 3HB ALA 18 7.115 -8.097 -8.609 137 H ASP 19 H ASP 19 3.665 -7.456 -11.374 138 HA ASP 19 HA ASP 19 5.690 -7.164 -13.568 139 1HB ASP 19 1HB ASP 19 2.822 -6.176 -13.116 140 2HB ASP 19 2HB ASP 19 3.774 -5.531 -14.446 141 H GLY 20 H GLY 20 5.070 -5.472 -10.653 142 1HA GLY 20 1HA GLY 20 6.677 -3.586 -9.886 143 2HA GLY 20 2HA GLY 20 6.665 -3.025 -11.565 144 H TYR 21 H TYR 21 3.501 -3.899 -10.744 145 HA TYR 21 HA TYR 21 2.803 -1.162 -9.530 146 1HB TYR 21 1HB TYR 21 0.938 -3.178 -10.936 147 2HB TYR 21 2HB TYR 21 0.447 -1.652 -10.261 148 HD1 TYR 21 HD1 TYR 21 3.705 -1.590 -11.973 149 HD2 TYR 21 HD2 TYR 21 -0.532 -1.080 -12.513 150 HE1 TYR 21 HE1 TYR 21 4.101 -0.550 -14.171 151 HE2 TYR 21 HE2 TYR 21 -0.106 -0.075 -14.733 152 HH TYR 21 HH TYR 21 1.881 1.151 -15.862 153 H ILE 22 H ILE 22 1.212 -1.062 -7.821 154 HA ILE 22 HA ILE 22 0.479 -3.692 -6.411 155 HB ILE 22 HB ILE 22 0.767 -0.886 -5.213 156 1HG1 ILE 22 1HG1 ILE 22 2.287 -3.475 -4.461 157 2HG1 ILE 22 2HG1 ILE 22 2.935 -2.233 -5.498 158 1HG2 ILE 22 1HG2 ILE 22 -1.226 -2.037 -4.149 159 2HG2 ILE 22 2HG2 ILE 22 -0.228 -3.452 -3.764 160 3HG2 ILE 22 3HG2 ILE 22 0.077 -1.879 -2.984 161 1HD1 ILE 22 1HD1 ILE 22 2.754 -0.507 -3.633 162 2HD1 ILE 22 2HD1 ILE 22 2.286 -1.821 -2.523 163 3HD1 ILE 22 3HD1 ILE 22 3.880 -1.847 -3.305 164 H ASP 23 H ASP 23 -1.545 -4.300 -6.414 165 HA ASP 23 HA ASP 23 -3.667 -2.450 -7.598 166 1HB ASP 23 1HB ASP 23 -4.752 -4.823 -8.147 167 2HB ASP 23 2HB ASP 23 -3.418 -4.211 -9.114 168 H ILE 24 H ILE 24 -5.919 -2.823 -7.004 169 HA ILE 24 HA ILE 24 -6.413 -2.866 -4.041 170 HB ILE 24 HB ILE 24 -7.713 -1.495 -5.869 171 1HG1 ILE 24 1HG1 ILE 24 -8.800 -2.669 -3.289 172 2HG1 ILE 24 2HG1 ILE 24 -8.503 -1.006 -3.717 173 1HG2 ILE 24 1HG2 ILE 24 -8.534 -3.438 -7.278 174 2HG2 ILE 24 2HG2 ILE 24 -9.443 -4.075 -5.894 175 3HG2 ILE 24 3HG2 ILE 24 -9.893 -2.524 -6.648 176 1HD1 ILE 24 1HD1 ILE 24 -10.548 -0.978 -5.234 177 2HD1 ILE 24 2HD1 ILE 24 -10.965 -2.600 -4.630 178 3HD1 ILE 24 3HD1 ILE 24 -10.906 -1.227 -3.505 179 H GLU 25 H GLU 25 -6.025 -5.363 -6.335 180 HA GLU 25 HA GLU 25 -7.451 -7.427 -4.692 181 1HB GLU 25 1HB GLU 25 -5.312 -8.207 -6.664 182 2HB GLU 25 2HB GLU 25 -6.773 -9.040 -6.228 183 1HG GLU 25 1HG GLU 25 -7.992 -6.949 -7.491 184 2HG GLU 25 2HG GLU 25 -6.421 -6.752 -8.245 185 H GLU 26 H GLU 26 -4.186 -6.135 -4.812 186 HA GLU 26 HA GLU 26 -2.964 -8.378 -3.230 187 1HB GLU 26 1HB GLU 26 -0.880 -7.538 -3.719 188 2HB GLU 26 2HB GLU 26 -1.804 -7.181 -5.147 189 1HG GLU 26 1HG GLU 26 -0.647 -5.148 -4.941 190 2HG GLU 26 2HG GLU 26 -2.054 -4.709 -3.990 191 H LEU 27 H LEU 27 -3.771 -4.995 -2.575 192 HA LEU 27 HA LEU 27 -2.487 -4.406 -0.078 193 1HB LEU 27 1HB LEU 27 -3.787 -2.779 -1.374 194 2HB LEU 27 2HB LEU 27 -5.282 -3.627 -1.078 195 HG LEU 27 HG LEU 27 -3.786 -2.648 1.385 196 1HD1 LEU 27 1HD1 LEU 27 -3.563 -0.727 -0.195 197 2HD1 LEU 27 2HD1 LEU 27 -5.326 -0.713 -0.483 198 3HD1 LEU 27 3HD1 LEU 27 -4.656 -0.343 1.133 199 1HD2 LEU 27 1HD2 LEU 27 -6.802 -2.620 0.624 200 2HD2 LEU 27 2HD2 LEU 27 -5.991 -3.827 1.666 201 3HD2 LEU 27 3HD2 LEU 27 -6.100 -2.144 2.195 202 H GLY 28 H GLY 28 -5.788 -5.795 -0.275 203 1HA GLY 28 1HA GLY 28 -6.121 -6.349 2.530 204 2HA GLY 28 2HA GLY 28 -7.049 -7.163 1.265 205 H GLU 29 H GLU 29 -4.628 -8.439 0.120 206 HA GLU 29 HA GLU 29 -4.308 -10.887 1.787 207 1HB GLU 29 1HB GLU 29 -4.008 -10.430 -0.850 208 2HB GLU 29 2HB GLU 29 -2.341 -10.224 -0.406 209 1HG GLU 29 1HG GLU 29 -2.324 -12.519 -0.924 210 2HG GLU 29 2HG GLU 29 -2.659 -12.657 0.792 211 H ILE 30 H ILE 30 -2.382 -7.944 1.386 212 HA ILE 30 HA ILE 30 0.010 -8.814 2.965 213 HB ILE 30 HB ILE 30 -0.994 -6.035 2.167 214 1HG1 ILE 30 1HG1 ILE 30 0.009 -7.387 0.273 215 2HG1 ILE 30 2HG1 ILE 30 0.873 -5.911 0.612 216 1HG2 ILE 30 1HG2 ILE 30 0.256 -5.811 4.345 217 2HG2 ILE 30 2HG2 ILE 30 1.645 -6.694 3.661 218 3HG2 ILE 30 3HG2 ILE 30 1.178 -5.089 3.031 219 1HD1 ILE 30 1HD1 ILE 30 1.918 -8.671 1.536 220 2HD1 ILE 30 2HD1 ILE 30 2.488 -7.704 0.160 221 3HD1 ILE 30 3HD1 ILE 30 2.699 -7.092 1.812 222 H LEU 31 H LEU 31 -2.807 -6.740 3.739 223 HA LEU 31 HA LEU 31 -2.058 -6.334 6.597 224 1HB LEU 31 1HB LEU 31 -4.921 -5.953 5.734 225 2HB LEU 31 2HB LEU 31 -3.941 -4.972 6.796 226 HG LEU 31 HG LEU 31 -4.232 -4.830 3.797 227 1HD1 LEU 31 1HD1 LEU 31 -3.863 -2.735 6.043 228 2HD1 LEU 31 2HD1 LEU 31 -4.114 -2.364 4.316 229 3HD1 LEU 31 3HD1 LEU 31 -5.380 -3.199 5.223 230 1HD2 LEU 31 1HD2 LEU 31 -1.598 -4.019 5.223 231 2HD2 LEU 31 2HD2 LEU 31 -1.775 -5.200 3.895 232 3HD2 LEU 31 3HD2 LEU 31 -2.077 -3.486 3.590 233 H ARG 32 H ARG 32 -4.316 -8.552 4.999 234 HA ARG 32 HA ARG 32 -5.390 -9.651 7.545 235 1HB ARG 32 1HB ARG 32 -6.463 -9.175 5.207 236 2HB ARG 32 2HB ARG 32 -5.787 -10.715 4.682 237 1HG ARG 32 1HG ARG 32 -7.302 -10.888 7.282 238 2HG ARG 32 2HG ARG 32 -8.277 -10.241 5.950 239 1HD ARG 32 1HD ARG 32 -6.647 -12.602 5.081 240 2HD ARG 32 2HD ARG 32 -7.717 -13.008 6.442 241 HE ARG 32 HE ARG 32 -8.933 -11.460 4.105 242 1HH1 ARG 32 2HH1 ARG 32 -8.765 -14.470 5.832 243 2HH1 ARG 32 1HH1 ARG 32 -10.333 -15.061 5.104 244 1HH2 ARG 32 1HH2 ARG 32 -10.663 -12.185 3.259 245 2HH2 ARG 32 2HH2 ARG 32 -11.330 -13.821 3.708 246 H ALA 33 H ALA 33 -3.231 -11.108 5.012 247 HA ALA 33 HA ALA 33 -2.282 -13.435 6.136 248 1HB ALA 33 1HB ALA 33 -1.344 -12.352 4.099 249 2HB ALA 33 2HB ALA 33 -0.493 -11.139 5.094 250 3HB ALA 33 3HB ALA 33 -0.038 -12.854 5.186 251 H THR 34 H THR 34 -1.681 -14.136 8.135 252 HA THR 34 HA THR 34 -0.316 -12.520 10.173 253 HB THR 34 HB THR 34 -0.167 -14.463 11.493 254 HG1 THR 34 HG1 THR 34 0.822 -16.016 10.488 255 1HG2 THR 34 2HG2 THR 34 -2.585 -13.921 10.769 256 2HG2 THR 34 3HG2 THR 34 -2.444 -15.178 9.511 257 3HG2 THR 34 1HG2 THR 34 -2.354 -15.630 11.222 258 H GLY 35 H GLY 35 0.937 -14.309 7.382 259 1HA GLY 35 1HA GLY 35 3.766 -13.443 7.993 260 2HA GLY 35 2HA GLY 35 3.239 -14.322 6.552 261 1HN NH2 36 1HN NH2 36 2.657 -13.206 4.613 262 2HN NH2 36 2HN NH2 36 2.872 -11.445 4.425 263 1H ACE 37 1HH3 ACE 37 -10.275 -2.877 14.319 264 2H ACE 37 2HH3 ACE 37 -8.880 -1.812 14.703 265 3H ACE 37 3HH3 ACE 37 -10.508 -1.117 14.492 266 H VAL 38 H VAL 38 -8.021 -2.956 12.737 267 HA VAL 38 HA VAL 38 -8.659 -1.601 10.075 268 HB VAL 38 HB VAL 38 -6.822 -3.305 9.249 269 1HG1 VAL 38 1HG1 VAL 38 -6.108 -0.825 10.980 270 2HG1 VAL 38 2HG1 VAL 38 -4.971 -1.635 9.878 271 3HG1 VAL 38 3HG1 VAL 38 -6.413 -0.845 9.233 272 1HG2 VAL 38 1HG2 VAL 38 -6.552 -4.630 11.391 273 2HG2 VAL 38 2HG2 VAL 38 -5.038 -3.800 10.970 274 3HG2 VAL 38 3HG2 VAL 38 -6.085 -3.148 12.255 275 H THR 39 H THR 39 -10.550 -2.303 9.347 276 HA THR 39 HA THR 39 -10.486 -5.143 8.279 277 HB THR 39 HB THR 39 -12.740 -5.699 8.589 278 HG1 THR 39 HG1 THR 39 -13.144 -2.946 9.066 279 1HG2 THR 39 2HG2 THR 39 -12.006 -4.054 11.113 280 2HG2 THR 39 3HG2 THR 39 -13.255 -5.320 11.036 281 3HG2 THR 39 1HG2 THR 39 -11.547 -5.745 10.798 282 H GLU 40 H GLU 40 -12.956 -4.597 6.707 283 HA GLU 40 HA GLU 40 -11.470 -3.598 4.306 284 1HB GLU 40 1HB GLU 40 -14.418 -4.266 4.240 285 2HB GLU 40 2HB GLU 40 -13.239 -4.389 2.971 286 1HG GLU 40 1HG GLU 40 -13.719 -6.337 5.303 287 2HG GLU 40 2HG GLU 40 -13.730 -6.679 3.583 288 H GLU 41 H GLU 41 -14.045 -2.306 6.356 289 HA GLU 41 HA GLU 41 -14.737 -0.013 4.786 290 1HB GLU 41 1HB GLU 41 -15.662 -1.132 7.099 291 2HB GLU 41 2HB GLU 41 -14.953 0.308 7.764 292 1HG GLU 41 1HG GLU 41 -16.534 1.767 6.675 293 2HG GLU 41 2HG GLU 41 -16.891 0.625 5.393 294 H ASP 42 H ASP 42 -12.226 -0.135 7.292 295 HA ASP 42 HA ASP 42 -11.262 2.689 6.899 296 1HB ASP 42 1HB ASP 42 -10.251 0.245 8.450 297 2HB ASP 42 2HB ASP 42 -9.199 1.635 8.221 298 H ILE 43 H ILE 43 -10.225 -0.527 5.731 299 HA ILE 43 HA ILE 43 -8.177 0.273 3.862 300 HB ILE 43 HB ILE 43 -10.154 -2.026 3.791 301 1HG1 ILE 43 1HG1 ILE 43 -8.311 -2.617 5.181 302 2HG1 ILE 43 2HG1 ILE 43 -7.951 -3.395 3.663 303 1HG2 ILE 43 1HG2 ILE 43 -9.950 -1.409 1.350 304 2HG2 ILE 43 2HG2 ILE 43 -8.179 -1.423 1.467 305 3HG2 ILE 43 3HG2 ILE 43 -9.117 -2.927 1.649 306 1HD1 ILE 43 1HD1 ILE 43 -6.344 -1.552 3.010 307 2HD1 ILE 43 2HD1 ILE 43 -6.573 -0.811 4.616 308 3HD1 ILE 43 3HD1 ILE 43 -5.874 -2.439 4.478 309 H GLU 44 H GLU 44 -11.705 0.412 3.384 310 HA GLU 44 HA GLU 44 -11.539 1.254 0.512 311 1HB GLU 44 1HB GLU 44 -13.687 0.470 2.388 312 2HB GLU 44 2HB GLU 44 -14.167 1.776 1.347 313 1HG GLU 44 1HG GLU 44 -12.865 -0.509 -0.148 314 2HG GLU 44 2HG GLU 44 -14.330 -0.964 0.703 315 H ASP 45 H ASP 45 -11.841 2.903 3.584 316 HA ASP 45 HA ASP 45 -12.318 5.674 2.569 317 1HB ASP 45 1HB ASP 45 -11.385 4.448 5.216 318 2HB ASP 45 2HB ASP 45 -11.221 6.180 4.962 319 H LEU 46 H LEU 46 -9.347 3.926 3.530 320 HA LEU 46 HA LEU 46 -7.456 5.944 2.456 321 1HB LEU 46 1HB LEU 46 -6.931 4.269 4.223 322 2HB LEU 46 2HB LEU 46 -7.047 2.957 3.074 323 HG LEU 46 HG LEU 46 -4.657 3.758 3.746 324 1HD1 LEU 46 1HD1 LEU 46 -5.543 2.400 1.553 325 2HD1 LEU 46 2HD1 LEU 46 -4.782 3.789 0.724 326 3HD1 LEU 46 3HD1 LEU 46 -3.840 2.773 1.852 327 1HD2 LEU 46 1HD2 LEU 46 -5.296 6.291 3.237 328 2HD2 LEU 46 2HD2 LEU 46 -3.690 5.689 2.819 329 3HD2 LEU 46 3HD2 LEU 46 -4.923 5.874 1.537 330 H MET 47 H MET 47 -8.296 2.781 0.990 331 HA MET 47 HA MET 47 -7.187 3.632 -1.652 332 1HB MET 47 1HB MET 47 -7.751 1.143 -0.327 333 2HB MET 47 2HB MET 47 -8.744 1.148 -1.774 334 1HG MET 47 1HG MET 47 -5.746 1.819 -1.974 335 2HG MET 47 2HG MET 47 -6.350 0.153 -2.016 336 1HE MET 47 1HE MET 47 -4.710 1.979 -4.154 337 2HE MET 47 2HE MET 47 -4.990 0.234 -4.425 338 3HE MET 47 3HE MET 47 -5.401 1.404 -5.712 339 H LYS 48 H LYS 48 -9.950 4.791 -0.444 340 HA LYS 48 HA LYS 48 -10.831 5.248 -3.344 341 1HB LYS 48 1HB LYS 48 -13.014 5.440 -2.701 342 2HB LYS 48 2HB LYS 48 -12.502 4.230 -1.566 343 1HG LYS 48 1HG LYS 48 -12.140 6.372 0.098 344 2HG LYS 48 2HG LYS 48 -13.081 7.227 -1.083 345 1HD LYS 48 1HD LYS 48 -14.380 4.658 -0.277 346 2HD LYS 48 2HD LYS 48 -14.199 5.729 1.072 347 1HE LYS 48 1HE LYS 48 -15.289 7.510 -0.837 348 2HE LYS 48 2HE LYS 48 -15.936 5.987 -1.420 349 1HZ LYS 48 1HZ LYS 48 -16.600 5.601 1.148 350 2HZ LYS 48 2HZ LYS 48 -16.560 7.256 1.218 351 3HZ LYS 48 3HZ LYS 48 -17.536 6.447 0.190 352 H ASP 49 H ASP 49 -9.770 6.717 -0.346 353 HA ASP 49 HA ASP 49 -10.038 9.590 -1.246 354 1HB ASP 49 1HB ASP 49 -10.158 8.918 1.195 355 2HB ASP 49 2HB ASP 49 -8.468 8.437 1.149 356 H SER 50 H SER 50 -7.428 7.194 -1.072 357 HA SER 50 HA SER 50 -5.465 8.810 -2.707 358 1HB SER 50 1HB SER 50 -5.553 5.848 -1.843 359 2HB SER 50 2HB SER 50 -4.300 6.481 -2.906 360 HG SER 50 HG SER 50 -4.846 7.897 -0.536 361 H ASP 51 H ASP 51 -7.821 6.197 -3.246 362 HA ASP 51 HA ASP 51 -7.043 5.750 -6.054 363 1HB ASP 51 1HB ASP 51 -7.859 4.003 -4.368 364 2HB ASP 51 2HB ASP 51 -9.492 4.629 -4.546 365 H LYS 52 H LYS 52 -8.435 8.450 -5.237 366 HA LYS 52 HA LYS 52 -11.244 8.495 -6.209 367 1HB LYS 52 1HB LYS 52 -11.201 10.754 -5.720 368 2HB LYS 52 2HB LYS 52 -10.072 10.127 -4.558 369 1HG LYS 52 1HG LYS 52 -8.403 10.876 -6.799 370 2HG LYS 52 2HG LYS 52 -9.680 12.049 -6.849 371 1HD LYS 52 1HD LYS 52 -9.124 12.141 -4.130 372 2HD LYS 52 2HD LYS 52 -7.532 11.779 -4.710 373 1HE LYS 52 1HE LYS 52 -7.245 13.964 -5.574 374 2HE LYS 52 2HE LYS 52 -8.841 13.967 -6.323 375 1HZ LYS 52 1HZ LYS 52 -8.860 14.074 -3.342 376 2HZ LYS 52 2HZ LYS 52 -8.292 15.398 -4.001 377 3HZ LYS 52 3HZ LYS 52 -9.828 14.897 -4.366 378 H ASN 53 H ASN 53 -8.122 8.737 -7.756 379 HA ASN 53 HA ASN 53 -8.937 10.219 -10.127 380 1HB ASN 53 1HB ASN 53 -6.564 9.396 -10.983 381 2HB ASN 53 2HB ASN 53 -6.651 10.447 -9.597 382 1HD2 ASN 53 1HD2 ASN 53 -4.514 8.128 -8.008 383 2HD2 ASN 53 2HD2 ASN 53 -4.797 9.829 -8.594 384 H ASN 54 H ASN 54 -10.042 7.245 -9.544 385 HA ASN 54 HA ASN 54 -11.514 5.963 -10.947 386 1HB ASN 54 1HB ASN 54 -10.576 8.104 -12.954 387 2HB ASN 54 2HB ASN 54 -11.431 6.705 -13.545 388 1HD2 ASN 54 1HD2 ASN 54 -14.466 7.820 -11.700 389 2HD2 ASN 54 2HD2 ASN 54 -13.484 6.294 -11.841 390 H ASP 55 H ASP 55 -11.169 3.949 -11.636 391 HA ASP 55 HA ASP 55 -9.231 2.438 -10.606 392 1HB ASP 55 1HB ASP 55 -10.852 1.817 -12.661 393 2HB ASP 55 2HB ASP 55 -9.379 1.905 -13.617 394 H GLY 56 H GLY 56 -7.820 4.487 -10.312 395 1HA GLY 56 1HA GLY 56 -5.279 4.440 -12.007 396 2HA GLY 56 2HA GLY 56 -5.611 5.628 -10.740 397 H ARG 57 H ARG 57 -5.971 2.098 -10.307 398 HA ARG 57 HA ARG 57 -4.384 0.933 -8.583 399 1HB ARG 57 1HB ARG 57 -3.021 -0.310 -10.426 400 2HB ARG 57 2HB ARG 57 -4.781 -0.410 -10.469 401 1HG ARG 57 1HG ARG 57 -4.943 0.822 -12.466 402 2HG ARG 57 2HG ARG 57 -3.612 1.899 -12.052 403 1HD ARG 57 1HD ARG 57 -1.944 0.398 -12.916 404 2HD ARG 57 2HD ARG 57 -2.942 -1.026 -12.630 405 HE ARG 57 HE ARG 57 -4.225 -0.709 -14.646 406 1HH1 ARG 57 2HH1 ARG 57 -2.382 2.179 -14.126 407 2HH1 ARG 57 1HH1 ARG 57 -2.885 2.853 -15.763 408 1HH2 ARG 57 1HH2 ARG 57 -4.744 0.049 -16.411 409 2HH2 ARG 57 2HH2 ARG 57 -4.173 1.689 -17.000 410 H ILE 58 H ILE 58 -2.251 0.586 -7.845 411 HA ILE 58 HA ILE 58 -1.058 3.360 -7.491 412 HB ILE 58 HB ILE 58 -1.138 0.914 -5.660 413 1HG1 ILE 58 1HG1 ILE 58 -2.311 3.761 -5.357 414 2HG1 ILE 58 2HG1 ILE 58 -3.216 2.304 -5.659 415 1HG2 ILE 58 1HG2 ILE 58 1.136 1.988 -5.355 416 2HG2 ILE 58 2HG2 ILE 58 0.373 3.564 -5.070 417 3HG2 ILE 58 3HG2 ILE 58 0.143 2.226 -3.921 418 1HD1 ILE 58 1HD1 ILE 58 -2.540 1.325 -3.420 419 2HD1 ILE 58 2HD1 ILE 58 -1.719 2.858 -3.027 420 3HD1 ILE 58 3HD1 ILE 58 -3.476 2.836 -3.299 421 H ASP 59 H ASP 59 0.901 3.847 -8.240 422 HA ASP 59 HA ASP 59 3.004 1.687 -8.650 423 1HB ASP 59 1HB ASP 59 4.101 3.359 -10.149 424 2HB ASP 59 2HB ASP 59 2.428 3.071 -10.605 425 H PHE 60 H PHE 60 5.351 2.817 -8.469 426 HA PHE 60 HA PHE 60 6.057 2.474 -5.685 427 1HB PHE 60 1HB PHE 60 7.547 2.338 -7.823 428 2HB PHE 60 2HB PHE 60 7.741 4.055 -7.714 429 HD1 PHE 60 HD1 PHE 60 7.620 2.786 -4.337 430 HD2 PHE 60 HD2 PHE 60 10.223 3.138 -7.736 431 HE1 PHE 60 HE1 PHE 60 9.589 2.552 -2.868 432 HE2 PHE 60 HE2 PHE 60 12.175 2.955 -6.264 433 HZ PHE 60 HZ PHE 60 11.868 2.575 -3.835 434 H ASP 61 H ASP 61 5.332 5.474 -7.382 435 HA ASP 61 HA ASP 61 6.087 7.519 -5.380 436 1HB ASP 61 1HB ASP 61 5.457 8.478 -7.457 437 2HB ASP 61 2HB ASP 61 4.224 7.274 -7.784 438 H GLU 62 H GLU 62 2.810 6.804 -6.226 439 HA GLU 62 HA GLU 62 1.166 7.229 -3.955 440 1HB GLU 62 1HB GLU 62 0.828 4.699 -5.603 441 2HB GLU 62 2HB GLU 62 -0.402 5.623 -4.794 442 1HG GLU 62 1HG GLU 62 0.465 7.570 -6.580 443 2HG GLU 62 2HG GLU 62 0.915 6.142 -7.495 444 H PHE 63 H PHE 63 3.531 4.624 -4.171 445 HA PHE 63 HA PHE 63 2.648 3.095 -1.725 446 1HB PHE 63 1HB PHE 63 4.207 2.255 -3.642 447 2HB PHE 63 2HB PHE 63 5.473 3.203 -2.933 448 HD1 PHE 63 HD1 PHE 63 3.030 1.193 -0.819 449 HD2 PHE 63 HD2 PHE 63 6.964 1.334 -2.558 450 HE1 PHE 63 HE1 PHE 63 3.845 -0.433 0.847 451 HE2 PHE 63 HE2 PHE 63 7.746 -0.291 -0.910 452 HZ PHE 63 HZ PHE 63 6.215 -1.136 0.835 453 H LEU 64 H LEU 64 5.493 5.198 -2.246 454 HA LEU 64 HA LEU 64 6.305 5.675 0.443 455 1HB LEU 64 1HB LEU 64 6.446 7.500 -2.005 456 2HB LEU 64 2HB LEU 64 7.136 8.001 -0.482 457 HG LEU 64 HG LEU 64 7.963 5.390 -1.887 458 1HD1 LEU 64 1HD1 LEU 64 9.208 8.216 -2.137 459 2HD1 LEU 64 2HD1 LEU 64 9.987 6.708 -2.687 460 3HD1 LEU 64 3HD1 LEU 64 8.465 7.222 -3.420 461 1HD2 LEU 64 1HD2 LEU 64 9.321 7.044 0.366 462 2HD2 LEU 64 2HD2 LEU 64 8.632 5.401 0.507 463 3HD2 LEU 64 3HD2 LEU 64 10.074 5.670 -0.481 464 H LYS 65 H LYS 65 3.638 7.346 -1.200 465 HA LYS 65 HA LYS 65 2.952 9.030 1.192 466 1HB LYS 65 1HB LYS 65 1.929 8.479 -1.626 467 2HB LYS 65 2HB LYS 65 0.909 9.414 -0.550 468 1HG LYS 65 1HG LYS 65 2.412 11.296 -0.630 469 2HG LYS 65 2HG LYS 65 3.823 10.278 -0.975 470 1HD LYS 65 1HD LYS 65 3.474 11.114 -3.104 471 2HD LYS 65 2HD LYS 65 2.537 9.622 -3.236 472 1HE LYS 65 1HE LYS 65 1.639 12.093 -4.065 473 2HE LYS 65 2HE LYS 65 0.539 10.814 -3.517 474 1HZ LYS 65 1HZ LYS 65 1.694 12.793 -1.502 475 2HZ LYS 65 2HZ LYS 65 0.302 13.092 -2.295 476 3HZ LYS 65 3HZ LYS 65 0.374 11.823 -1.310 477 H MET 66 H MET 66 1.166 6.336 -0.461 478 HA MET 66 HA MET 66 -0.669 5.552 1.473 479 1HB MET 66 1HB MET 66 -0.225 4.428 -0.759 480 2HB MET 66 2HB MET 66 1.149 3.599 -0.057 481 1HG MET 66 1HG MET 66 -1.264 3.090 1.594 482 2HG MET 66 2HG MET 66 -1.514 2.608 -0.095 483 1HE MET 66 1HE MET 66 -1.205 0.306 -0.680 484 2HE MET 66 2HE MET 66 0.180 1.106 -1.486 485 3HE MET 66 3HE MET 66 0.411 -0.462 -0.657 486 H MET 67 H MET 67 2.736 5.429 2.025 487 HA MET 67 HA MET 67 2.526 3.559 4.460 488 1HB MET 67 1HB MET 67 4.478 3.440 2.584 489 2HB MET 67 2HB MET 67 5.149 4.782 3.488 490 1HG MET 67 1HG MET 67 4.963 3.295 5.643 491 2HG MET 67 2HG MET 67 4.688 1.930 4.543 492 1HE MET 67 1HE MET 67 6.002 1.026 2.990 493 2HE MET 67 2HE MET 67 7.749 1.252 2.674 494 3HE MET 67 3HE MET 67 7.207 0.445 4.181 495 H GLU 68 H GLU 68 4.217 6.626 3.647 496 HA GLU 68 HA GLU 68 4.449 7.627 6.290 497 1HB GLU 68 1HB GLU 68 5.461 8.399 3.969 498 2HB GLU 68 2HB GLU 68 4.193 9.586 3.985 499 1HG GLU 68 1HG GLU 68 5.094 10.512 6.204 500 2HG GLU 68 2HG GLU 68 6.377 9.316 6.178 501 H GLY 69 H GLY 69 1.582 7.887 4.305 502 1HA GLY 69 1HA GLY 69 -0.645 8.737 4.749 503 2HA GLY 69 2HA GLY 69 -0.198 8.607 6.454 504 H VAL 70 H VAL 70 -1.956 10.613 5.727 505 HA VAL 70 HA VAL 70 -0.257 12.920 6.845 506 HB VAL 70 HB VAL 70 -2.929 12.937 5.365 507 1HG1 VAL 70 1HG1 VAL 70 -1.725 15.298 6.980 508 2HG1 VAL 70 2HG1 VAL 70 -3.075 15.434 5.825 509 3HG1 VAL 70 3HG1 VAL 70 -3.277 14.487 7.301 510 1HG2 VAL 70 1HG2 VAL 70 -0.845 13.126 3.945 511 2HG2 VAL 70 2HG2 VAL 70 -1.792 14.605 3.877 512 3HG2 VAL 70 3HG2 VAL 70 -0.309 14.542 4.875 513 H GLN 71 H GLN 71 -0.118 12.533 8.963 514 HA GLN 71 HA GLN 71 -2.288 11.274 10.612 515 1HB GLN 71 1HB GLN 71 0.379 12.445 11.575 516 2HB GLN 71 2HB GLN 71 -0.667 11.323 12.442 517 1HG GLN 71 1HG GLN 71 -0.287 9.709 10.344 518 2HG GLN 71 2HG GLN 71 1.044 10.767 9.914 519 1HE2 GLN 71 1HE2 GLN 71 1.522 8.069 12.896 520 2HE2 GLN 71 2HE2 GLN 71 -0.133 8.399 12.141 521 1HN NH2 72 1HN NH2 72 -3.590 12.252 12.256 522 2HN NH2 72 2HN NH2 72 -3.734 14.019 12.460 No H/Q in entry = 522 Start of MODEL 8 1 1H ACE 1 1HH3 ACE 1 20.369 5.593 4.484 2 2H ACE 1 2HH3 ACE 1 20.661 7.330 4.855 3 3H ACE 1 3HH3 ACE 1 19.438 6.399 5.766 4 H LYS 2 H LYS 2 20.196 7.357 2.410 5 HA LYS 2 HA LYS 2 17.695 8.179 1.305 6 1HB LYS 2 1HB LYS 2 18.576 6.393 -0.636 7 2HB LYS 2 2HB LYS 2 19.001 8.089 -0.553 8 1HG LYS 2 1HG LYS 2 21.208 7.547 0.452 9 2HG LYS 2 2HG LYS 2 20.668 5.973 0.977 10 1HD LYS 2 1HD LYS 2 20.997 4.974 -1.147 11 2HD LYS 2 2HD LYS 2 20.647 6.454 -2.043 12 1HE LYS 2 1HE LYS 2 23.140 5.652 -1.973 13 2HE LYS 2 2HE LYS 2 22.854 7.382 -1.711 14 1HZ LYS 2 1HZ LYS 2 22.917 5.600 0.751 15 2HZ LYS 2 2HZ LYS 2 24.311 5.941 0.005 16 3HZ LYS 2 3HZ LYS 2 23.499 7.148 0.582 17 H SER 3 H SER 3 15.740 7.343 1.150 18 HA SER 3 HA SER 3 15.293 4.758 2.701 19 1HB SER 3 1HB SER 3 12.982 6.031 3.072 20 2HB SER 3 2HB SER 3 14.402 6.471 3.990 21 HG SER 3 HG SER 3 14.260 8.371 3.170 22 H GLU 4 H GLU 4 15.571 4.739 -0.303 23 HA GLU 4 HA GLU 4 12.749 3.982 -1.165 24 1HB GLU 4 1HB GLU 4 12.554 5.243 -3.010 25 2HB GLU 4 2HB GLU 4 13.351 6.311 -1.880 26 1HG GLU 4 1HG GLU 4 14.616 6.857 -3.772 27 2HG GLU 4 2HG GLU 4 15.593 5.478 -3.283 28 H GLU 5 H GLU 5 16.233 3.458 -1.713 29 HA GLU 5 HA GLU 5 16.060 0.984 -3.087 30 1HB GLU 5 1HB GLU 5 18.119 2.282 -2.363 31 2HB GLU 5 2HB GLU 5 18.012 1.514 -0.807 32 1HG GLU 5 1HG GLU 5 18.351 -0.776 -1.927 33 2HG GLU 5 2HG GLU 5 18.479 0.015 -3.487 34 H GLU 6 H GLU 6 15.722 1.296 0.452 35 HA GLU 6 HA GLU 6 15.282 -1.561 0.887 36 1HB GLU 6 1HB GLU 6 16.286 -0.547 2.668 37 2HB GLU 6 2HB GLU 6 15.309 0.888 2.615 38 1HG GLU 6 1HG GLU 6 13.455 -0.203 3.839 39 2HG GLU 6 2HG GLU 6 14.142 -1.802 3.621 40 H LEU 7 H LEU 7 12.898 1.087 1.050 41 HA LEU 7 HA LEU 7 10.402 -0.531 1.092 42 1HB LEU 7 1HB LEU 7 11.011 2.255 -0.035 43 2HB LEU 7 2HB LEU 7 9.413 1.552 -0.063 44 HG LEU 7 HG LEU 7 10.300 3.218 1.913 45 1HD1 LEU 7 1HD1 LEU 7 7.941 2.536 1.511 46 2HD1 LEU 7 2HD1 LEU 7 8.227 0.947 2.265 47 3HD1 LEU 7 3HD1 LEU 7 8.323 2.438 3.236 48 1HD2 LEU 7 1HD2 LEU 7 10.737 0.362 3.062 49 2HD2 LEU 7 2HD2 LEU 7 11.962 1.652 2.912 50 3HD2 LEU 7 3HD2 LEU 7 10.614 1.852 4.034 51 H ALA 8 H ALA 8 12.619 0.372 -1.543 52 HA ALA 8 HA ALA 8 11.192 -0.766 -3.758 53 1HB ALA 8 1HB ALA 8 14.239 -0.574 -3.250 54 2HB ALA 8 2HB ALA 8 13.482 -0.857 -4.830 55 3HB ALA 8 3HB ALA 8 13.195 0.667 -3.983 56 H ASN 9 H ASN 9 13.890 -2.599 -2.149 57 HA ASN 9 HA ASN 9 13.237 -5.236 -2.809 58 1HB ASN 9 1HB ASN 9 14.072 -4.269 0.015 59 2HB ASN 9 2HB ASN 9 14.193 -5.914 -0.545 60 1HD2 ASN 9 1HD2 ASN 9 16.789 -4.441 -2.997 61 2HD2 ASN 9 2HD2 ASN 9 15.054 -4.901 -3.303 62 H ALA 10 H ALA 10 11.699 -3.616 0.003 63 HA ALA 10 HA ALA 10 9.647 -5.578 0.632 64 1HB ALA 10 1HB ALA 10 10.320 -3.635 2.057 65 2HB ALA 10 2HB ALA 10 9.560 -2.495 0.916 66 3HB ALA 10 3HB ALA 10 8.563 -3.661 1.813 67 H PHE 11 H PHE 11 9.515 -2.953 -1.775 68 HA PHE 11 HA PHE 11 6.739 -3.354 -2.621 69 1HB PHE 11 1HB PHE 11 8.060 -1.254 -2.924 70 2HB PHE 11 2HB PHE 11 9.094 -2.034 -4.073 71 HD1 PHE 11 HD1 PHE 11 5.279 -2.085 -3.937 72 HD2 PHE 11 HD2 PHE 11 8.808 -1.000 -6.145 73 HE1 PHE 11 HE1 PHE 11 3.880 -1.229 -5.775 74 HE2 PHE 11 HE2 PHE 11 7.393 -0.125 -7.958 75 HZ PHE 11 HZ PHE 11 4.939 -0.248 -7.787 76 H ARG 12 H ARG 12 9.536 -4.039 -4.809 77 HA ARG 12 HA ARG 12 8.637 -6.085 -6.417 78 1HB ARG 12 1HB ARG 12 11.070 -5.166 -6.021 79 2HB ARG 12 2HB ARG 12 11.278 -6.522 -4.919 80 1HG ARG 12 1HG ARG 12 10.598 -8.104 -6.854 81 2HG ARG 12 2HG ARG 12 10.567 -6.707 -7.937 82 1HD ARG 12 1HD ARG 12 13.097 -6.382 -6.798 83 2HD ARG 12 2HD ARG 12 12.939 -8.160 -6.744 84 HE ARG 12 HE ARG 12 12.507 -8.155 -9.248 85 1HH1 ARG 12 2HH1 ARG 12 13.765 -5.194 -7.962 86 2HH1 ARG 12 1HH1 ARG 12 14.375 -4.648 -9.597 87 1HH2 ARG 12 1HH2 ARG 12 13.180 -7.520 -11.068 88 2HH2 ARG 12 2HH2 ARG 12 14.049 -5.930 -11.276 89 H ILE 13 H ILE 13 9.286 -6.619 -2.940 90 HA ILE 13 HA ILE 13 9.220 -9.605 -3.114 91 HB ILE 13 HB ILE 13 9.441 -7.627 -0.808 92 1HG1 ILE 13 1HG1 ILE 13 11.514 -8.445 -2.249 93 2HG1 ILE 13 2HG1 ILE 13 11.654 -8.338 -0.515 94 1HG2 ILE 13 1HG2 ILE 13 7.968 -9.465 0.101 95 2HG2 ILE 13 2HG2 ILE 13 9.128 -10.699 -0.445 96 3HG2 ILE 13 3HG2 ILE 13 9.554 -9.557 0.844 97 1HD1 ILE 13 1HD1 ILE 13 11.275 -10.809 -0.230 98 2HD1 ILE 13 2HD1 ILE 13 11.190 -10.995 -1.999 99 3HD1 ILE 13 3HD1 ILE 13 12.692 -10.437 -1.237 100 H PHE 14 H PHE 14 6.931 -7.070 -2.217 101 HA PHE 14 HA PHE 14 4.716 -8.793 -1.143 102 1HB PHE 14 1HB PHE 14 4.905 -5.908 -2.195 103 2HB PHE 14 2HB PHE 14 3.351 -6.635 -1.948 104 HD1 PHE 14 HD1 PHE 14 5.572 -7.987 0.516 105 HD2 PHE 14 HD2 PHE 14 3.244 -4.491 -0.381 106 HE1 PHE 14 HE1 PHE 14 5.594 -7.356 2.897 107 HE2 PHE 14 HE2 PHE 14 3.288 -3.854 1.997 108 HZ PHE 14 HZ PHE 14 4.481 -5.266 3.637 109 H ASP 15 H ASP 15 5.694 -7.569 -4.319 110 HA ASP 15 HA ASP 15 3.170 -8.234 -5.669 111 1HB ASP 15 1HB ASP 15 4.642 -6.275 -6.205 112 2HB ASP 15 2HB ASP 15 5.893 -7.344 -6.819 113 H LYS 16 H LYS 16 2.469 -10.121 -6.330 114 HA LYS 16 HA LYS 16 4.058 -12.624 -6.263 115 1HB LYS 16 1HB LYS 16 1.645 -12.945 -7.884 116 2HB LYS 16 2HB LYS 16 2.062 -13.695 -6.369 117 1HG LYS 16 1HG LYS 16 1.212 -10.924 -5.828 118 2HG LYS 16 2HG LYS 16 0.088 -11.615 -6.991 119 1HD LYS 16 1HD LYS 16 0.514 -13.646 -4.952 120 2HD LYS 16 2HD LYS 16 0.319 -12.104 -4.121 121 1HE LYS 16 1HE LYS 16 -1.901 -12.757 -4.147 122 2HE LYS 16 2HE LYS 16 -1.866 -11.748 -5.607 123 1HZ LYS 16 1HZ LYS 16 -1.467 -14.773 -5.578 124 2HZ LYS 16 2HZ LYS 16 -2.818 -14.010 -6.070 125 3HZ LYS 16 3HZ LYS 16 -1.444 -13.869 -6.961 126 H ASN 17 H ASN 17 2.366 -11.127 -9.046 127 HA ASN 17 HA ASN 17 4.054 -12.774 -10.881 128 1HB ASN 17 1HB ASN 17 2.301 -12.156 -12.611 129 2HB ASN 17 2HB ASN 17 1.728 -13.034 -11.218 130 1HD2 ASN 17 1HD2 ASN 17 -0.326 -10.207 -10.207 131 2HD2 ASN 17 2HD2 ASN 17 0.526 -11.642 -9.548 132 H ALA 18 H ALA 18 3.654 -9.283 -10.353 133 HA ALA 18 HA ALA 18 5.546 -7.751 -10.489 134 1HB ALA 18 1HB ALA 18 6.976 -9.821 -10.308 135 2HB ALA 18 2HB ALA 18 6.855 -10.052 -12.067 136 3HB ALA 18 3HB ALA 18 7.691 -8.626 -11.427 137 H ASP 19 H ASP 19 3.514 -7.051 -12.093 138 HA ASP 19 HA ASP 19 4.693 -6.108 -14.683 139 1HB ASP 19 1HB ASP 19 2.155 -6.496 -14.011 140 2HB ASP 19 2HB ASP 19 2.232 -4.884 -13.315 141 H GLY 20 H GLY 20 5.316 -5.192 -11.492 142 1HA GLY 20 1HA GLY 20 6.619 -3.255 -10.710 143 2HA GLY 20 2HA GLY 20 6.230 -2.413 -12.216 144 H TYR 21 H TYR 21 3.293 -3.417 -11.188 145 HA TYR 21 HA TYR 21 2.737 -0.910 -9.489 146 1HB TYR 21 1HB TYR 21 0.838 -2.355 -11.447 147 2HB TYR 21 2HB TYR 21 0.409 -0.990 -10.460 148 HD1 TYR 21 HD1 TYR 21 3.362 0.339 -11.006 149 HD2 TYR 21 HD2 TYR 21 0.082 -0.995 -13.449 150 HE1 TYR 21 HE1 TYR 21 4.058 1.878 -12.799 151 HE2 TYR 21 HE2 TYR 21 0.799 0.567 -15.227 152 HH TYR 21 HH TYR 21 3.722 2.583 -14.817 153 H ILE 22 H ILE 22 1.221 -1.020 -7.801 154 HA ILE 22 HA ILE 22 0.277 -3.791 -6.885 155 HB ILE 22 HB ILE 22 0.499 -1.194 -5.270 156 1HG1 ILE 22 1HG1 ILE 22 2.216 -3.754 -5.236 157 2HG1 ILE 22 2HG1 ILE 22 2.744 -2.117 -5.517 158 1HG2 ILE 22 1HG2 ILE 22 -1.462 -2.574 -4.445 159 2HG2 ILE 22 2HG2 ILE 22 -0.413 -3.994 -4.271 160 3HG2 ILE 22 3HG2 ILE 22 -0.182 -2.557 -3.243 161 1HD1 ILE 22 1HD1 ILE 22 2.180 -1.466 -3.120 162 2HD1 ILE 22 2HD1 ILE 22 1.835 -3.181 -2.782 163 3HD1 ILE 22 3HD1 ILE 22 3.466 -2.688 -3.280 164 H ASP 23 H ASP 23 -1.858 -4.174 -6.356 165 HA ASP 23 HA ASP 23 -3.924 -2.260 -7.568 166 1HB ASP 23 1HB ASP 23 -4.984 -4.094 -8.734 167 2HB ASP 23 2HB ASP 23 -3.262 -4.222 -9.065 168 H ILE 24 H ILE 24 -6.253 -3.258 -7.019 169 HA ILE 24 HA ILE 24 -6.557 -2.602 -4.094 170 HB ILE 24 HB ILE 24 -8.118 -1.937 -6.195 171 1HG1 ILE 24 1HG1 ILE 24 -9.523 -2.419 -3.494 172 2HG1 ILE 24 2HG1 ILE 24 -8.276 -1.212 -3.649 173 1HG2 ILE 24 1HG2 ILE 24 -8.955 -4.284 -6.676 174 2HG2 ILE 24 2HG2 ILE 24 -9.616 -4.398 -5.033 175 3HG2 ILE 24 3HG2 ILE 24 -10.289 -3.242 -6.210 176 1HD1 ILE 24 1HD1 ILE 24 -9.568 -0.041 -5.504 177 2HD1 ILE 24 2HD1 ILE 24 -10.929 -1.147 -5.196 178 3HD1 ILE 24 3HD1 ILE 24 -10.382 -0.043 -3.917 179 H GLU 25 H GLU 25 -6.543 -5.472 -6.064 180 HA GLU 25 HA GLU 25 -7.681 -7.332 -4.005 181 1HB GLU 25 1HB GLU 25 -6.655 -7.583 -6.779 182 2HB GLU 25 2HB GLU 25 -6.263 -8.949 -5.780 183 1HG GLU 25 1HG GLU 25 -9.173 -7.924 -6.065 184 2HG GLU 25 2HG GLU 25 -8.477 -9.093 -7.172 185 H GLU 26 H GLU 26 -4.465 -6.224 -4.882 186 HA GLU 26 HA GLU 26 -3.018 -8.001 -2.943 187 1HB GLU 26 1HB GLU 26 -2.104 -5.713 -4.722 188 2HB GLU 26 2HB GLU 26 -1.044 -6.377 -3.516 189 1HG GLU 26 1HG GLU 26 -1.211 -8.679 -4.656 190 2HG GLU 26 2HG GLU 26 -2.254 -7.984 -5.883 191 H LEU 27 H LEU 27 -4.583 -4.927 -2.742 192 HA LEU 27 HA LEU 27 -3.111 -3.609 -0.596 193 1HB LEU 27 1HB LEU 27 -4.732 -2.489 -2.097 194 2HB LEU 27 2HB LEU 27 -6.065 -3.376 -1.405 195 HG LEU 27 HG LEU 27 -5.630 -0.869 -0.666 196 1HD1 LEU 27 1HD1 LEU 27 -7.425 -2.341 0.252 197 2HD1 LEU 27 2HD1 LEU 27 -6.292 -3.042 1.442 198 3HD1 LEU 27 3HD1 LEU 27 -6.736 -1.312 1.505 199 1HD2 LEU 27 1HD2 LEU 27 -3.739 -2.329 1.326 200 2HD2 LEU 27 2HD2 LEU 27 -3.246 -1.128 0.095 201 3HD2 LEU 27 3HD2 LEU 27 -4.288 -0.633 1.434 202 H GLY 28 H GLY 28 -6.403 -4.767 0.045 203 1HA GLY 28 1HA GLY 28 -6.403 -4.920 2.810 204 2HA GLY 28 2HA GLY 28 -7.323 -6.109 1.880 205 H GLU 29 H GLU 29 -5.258 -7.691 0.839 206 HA GLU 29 HA GLU 29 -4.921 -9.479 3.223 207 1HB GLU 29 1HB GLU 29 -5.618 -10.051 0.718 208 2HB GLU 29 2HB GLU 29 -3.908 -10.228 0.466 209 1HG GLU 29 1HG GLU 29 -4.076 -11.907 2.619 210 2HG GLU 29 2HG GLU 29 -5.770 -11.973 2.170 211 H ILE 30 H ILE 30 -2.728 -7.684 1.120 212 HA ILE 30 HA ILE 30 -0.121 -8.184 2.385 213 HB ILE 30 HB ILE 30 -1.344 -5.654 1.198 214 1HG1 ILE 30 1HG1 ILE 30 1.094 -7.315 0.261 215 2HG1 ILE 30 2HG1 ILE 30 -0.513 -7.475 -0.395 216 1HG2 ILE 30 1HG2 ILE 30 0.190 -4.869 3.038 217 2HG2 ILE 30 2HG2 ILE 30 1.516 -5.864 2.383 218 3HG2 ILE 30 3HG2 ILE 30 0.869 -4.477 1.462 219 1HD1 ILE 30 1HD1 ILE 30 1.110 -4.856 -0.657 220 2HD1 ILE 30 2HD1 ILE 30 0.838 -6.090 -1.906 221 3HD1 ILE 30 3HD1 ILE 30 -0.534 -5.154 -1.280 222 H LEU 31 H LEU 31 -2.613 -5.785 3.350 223 HA LEU 31 HA LEU 31 -1.220 -4.848 5.806 224 1HB LEU 31 1HB LEU 31 -4.227 -4.694 5.657 225 2HB LEU 31 2HB LEU 31 -3.082 -3.510 6.237 226 HG LEU 31 HG LEU 31 -4.114 -3.954 3.435 227 1HD1 LEU 31 1HD1 LEU 31 -3.363 -1.457 5.101 228 2HD1 LEU 31 2HD1 LEU 31 -4.055 -1.431 3.457 229 3HD1 LEU 31 3HD1 LEU 31 -4.996 -2.109 4.789 230 1HD2 LEU 31 1HD2 LEU 31 -1.278 -2.815 3.977 231 2HD2 LEU 31 2HD2 LEU 31 -1.687 -4.233 2.972 232 3HD2 LEU 31 3HD2 LEU 31 -2.180 -2.618 2.451 233 H ARG 32 H ARG 32 -3.552 -7.438 5.230 234 HA ARG 32 HA ARG 32 -3.961 -8.023 8.125 235 1HB ARG 32 1HB ARG 32 -5.823 -8.115 6.660 236 2HB ARG 32 2HB ARG 32 -4.978 -9.048 5.426 237 1HG ARG 32 1HG ARG 32 -5.513 -11.082 6.463 238 2HG ARG 32 2HG ARG 32 -5.218 -10.438 8.088 239 1HD ARG 32 1HD ARG 32 -7.665 -9.394 6.557 240 2HD ARG 32 2HD ARG 32 -7.747 -11.037 7.231 241 HE ARG 32 HE ARG 32 -7.864 -8.555 8.814 242 1HH1 ARG 32 2HH1 ARG 32 -6.465 -11.728 9.029 243 2HH1 ARG 32 1HH1 ARG 32 -6.493 -11.698 10.856 244 1HH2 ARG 32 1HH2 ARG 32 -7.837 -8.539 10.872 245 2HH2 ARG 32 2HH2 ARG 32 -7.227 -9.967 11.827 246 H ALA 33 H ALA 33 -1.977 -9.394 5.574 247 HA ALA 33 HA ALA 33 -1.701 -12.090 6.568 248 1HB ALA 33 1HB ALA 33 -1.363 -11.390 4.203 249 2HB ALA 33 2HB ALA 33 0.125 -10.508 4.641 250 3HB ALA 33 3HB ALA 33 0.053 -12.277 4.791 251 H THR 34 H THR 34 0.026 -9.339 7.846 252 HA THR 34 HA THR 34 2.352 -11.008 8.808 253 HB THR 34 HB THR 34 4.055 -9.339 7.882 254 HG1 THR 34 HG1 THR 34 2.169 -8.830 5.864 255 1HG2 THR 34 2HG2 THR 34 3.602 -11.665 6.860 256 2HG2 THR 34 3HG2 THR 34 2.468 -10.896 5.720 257 3HG2 THR 34 1HG2 THR 34 4.189 -10.477 5.667 258 H GLY 35 H GLY 35 0.769 -7.781 8.706 259 1HA GLY 35 1HA GLY 35 -0.259 -6.717 10.694 260 2HA GLY 35 2HA GLY 35 0.554 -7.897 11.730 261 1HN NH2 36 1HN NH2 36 1.556 -5.164 9.480 262 2HN NH2 36 2HN NH2 36 2.698 -4.436 10.642 263 1H ACE 37 1HH3 ACE 37 -13.651 -5.245 14.698 264 2H ACE 37 2HH3 ACE 37 -14.497 -4.277 13.442 265 3H ACE 37 3HH3 ACE 37 -14.988 -5.962 13.759 266 H VAL 38 H VAL 38 -12.032 -4.146 12.910 267 HA VAL 38 HA VAL 38 -10.750 -4.202 10.870 268 HB VAL 38 HB VAL 38 -10.509 -7.179 10.804 269 1HG1 VAL 38 1HG1 VAL 38 -8.438 -4.867 10.924 270 2HG1 VAL 38 2HG1 VAL 38 -8.008 -6.585 10.763 271 3HG1 VAL 38 3HG1 VAL 38 -8.922 -5.780 9.484 272 1HG2 VAL 38 1HG2 VAL 38 -10.684 -6.888 13.314 273 2HG2 VAL 38 2HG2 VAL 38 -9.023 -7.309 12.844 274 3HG2 VAL 38 3HG2 VAL 38 -9.432 -5.627 13.260 275 H THR 39 H THR 39 -13.076 -3.642 10.142 276 HA THR 39 HA THR 39 -14.649 -5.630 8.506 277 HB THR 39 HB THR 39 -15.740 -3.658 9.663 278 HG1 THR 39 HG1 THR 39 -16.427 -4.659 7.519 279 1HG2 THR 39 2HG2 THR 39 -14.310 -2.011 7.460 280 2HG2 THR 39 3HG2 THR 39 -15.573 -1.392 8.551 281 3HG2 THR 39 1HG2 THR 39 -14.004 -1.900 9.209 282 H GLU 40 H GLU 40 -14.938 -5.264 6.159 283 HA GLU 40 HA GLU 40 -12.475 -4.565 4.596 284 1HB GLU 40 1HB GLU 40 -15.200 -5.638 3.895 285 2HB GLU 40 2HB GLU 40 -14.318 -4.834 2.633 286 1HG GLU 40 1HG GLU 40 -13.639 -7.062 2.260 287 2HG GLU 40 2HG GLU 40 -12.318 -6.552 3.295 288 H GLU 41 H GLU 41 -15.446 -2.840 5.435 289 HA GLU 41 HA GLU 41 -15.114 -0.491 3.876 290 1HB GLU 41 1HB GLU 41 -16.198 -0.680 6.721 291 2HB GLU 41 2HB GLU 41 -16.353 0.734 5.724 292 1HG GLU 41 1HG GLU 41 -17.528 -1.125 4.011 293 2HG GLU 41 2HG GLU 41 -17.864 -1.903 5.546 294 H ASP 42 H ASP 42 -13.256 -1.305 6.735 295 HA ASP 42 HA ASP 42 -11.771 1.270 7.052 296 1HB ASP 42 1HB ASP 42 -11.281 -1.614 8.007 297 2HB ASP 42 2HB ASP 42 -10.117 -0.333 8.314 298 H ILE 43 H ILE 43 -11.341 -1.619 5.067 299 HA ILE 43 HA ILE 43 -8.741 -0.761 3.812 300 HB ILE 43 HB ILE 43 -10.717 -2.996 3.206 301 1HG1 ILE 43 1HG1 ILE 43 -8.807 -4.527 3.557 302 2HG1 ILE 43 2HG1 ILE 43 -7.671 -3.208 3.628 303 1HG2 ILE 43 1HG2 ILE 43 -10.049 -2.138 0.927 304 2HG2 ILE 43 2HG2 ILE 43 -8.332 -2.227 1.367 305 3HG2 ILE 43 3HG2 ILE 43 -9.310 -3.707 1.209 306 1HD1 ILE 43 1HD1 ILE 43 -8.692 -2.341 5.776 307 2HD1 ILE 43 2HD1 ILE 43 -9.767 -3.763 5.815 308 3HD1 ILE 43 3HD1 ILE 43 -8.006 -3.976 5.906 309 H GLU 44 H GLU 44 -12.196 -0.497 3.002 310 HA GLU 44 HA GLU 44 -11.744 0.650 0.268 311 1HB GLU 44 1HB GLU 44 -13.786 -0.073 -0.083 312 2HB GLU 44 2HB GLU 44 -13.920 -0.594 1.568 313 1HG GLU 44 1HG GLU 44 -15.727 0.824 1.753 314 2HG GLU 44 2HG GLU 44 -14.609 2.176 1.752 315 H ASP 45 H ASP 45 -12.420 1.957 3.465 316 HA ASP 45 HA ASP 45 -12.625 4.827 2.577 317 1HB ASP 45 1HB ASP 45 -12.683 3.367 5.265 318 2HB ASP 45 2HB ASP 45 -12.416 5.105 5.243 319 H LEU 46 H LEU 46 -10.121 2.773 4.027 320 HA LEU 46 HA LEU 46 -7.894 4.740 4.058 321 1HB LEU 46 1HB LEU 46 -7.906 2.544 5.241 322 2HB LEU 46 2HB LEU 46 -7.850 1.681 3.721 323 HG LEU 46 HG LEU 46 -5.556 2.252 3.286 324 1HD1 LEU 46 1HD1 LEU 46 -6.144 4.696 4.928 325 2HD1 LEU 46 2HD1 LEU 46 -4.529 3.976 5.191 326 3HD1 LEU 46 3HD1 LEU 46 -5.021 4.452 3.558 327 1HD2 LEU 46 1HD2 LEU 46 -6.117 1.562 6.188 328 2HD2 LEU 46 2HD2 LEU 46 -5.196 0.635 4.968 329 3HD2 LEU 46 3HD2 LEU 46 -4.467 2.046 5.791 330 H MET 47 H MET 47 -8.747 2.402 1.501 331 HA MET 47 HA MET 47 -6.749 3.399 -0.396 332 1HB MET 47 1HB MET 47 -7.749 1.068 -0.373 333 2HB MET 47 2HB MET 47 -9.249 1.723 -1.008 334 1HG MET 47 1HG MET 47 -7.987 0.791 -2.900 335 2HG MET 47 2HG MET 47 -8.044 2.553 -3.087 336 1HE MET 47 1HE MET 47 -6.155 1.179 -4.807 337 2HE MET 47 2HE MET 47 -6.065 2.952 -4.596 338 3HE MET 47 3HE MET 47 -4.568 1.977 -4.529 339 H LYS 48 H LYS 48 -10.014 4.577 0.236 340 HA LYS 48 HA LYS 48 -9.855 6.552 -2.020 341 1HB LYS 48 1HB LYS 48 -11.801 5.542 -0.141 342 2HB LYS 48 2HB LYS 48 -11.794 7.263 0.090 343 1HG LYS 48 1HG LYS 48 -13.530 6.749 -1.586 344 2HG LYS 48 2HG LYS 48 -12.247 7.563 -2.426 345 1HD LYS 48 1HD LYS 48 -11.324 5.038 -2.853 346 2HD LYS 48 2HD LYS 48 -12.990 4.595 -2.674 347 1HE LYS 48 1HE LYS 48 -13.502 6.445 -4.544 348 2HE LYS 48 2HE LYS 48 -11.763 6.543 -4.756 349 1HZ LYS 48 1HZ LYS 48 -11.749 4.005 -5.180 350 2HZ LYS 48 2HZ LYS 48 -13.404 4.042 -5.246 351 3HZ LYS 48 3HZ LYS 48 -12.467 4.863 -6.301 352 H ASP 49 H ASP 49 -8.720 6.422 1.278 353 HA ASP 49 HA ASP 49 -8.724 9.402 1.778 354 1HB ASP 49 1HB ASP 49 -9.111 7.980 3.716 355 2HB ASP 49 2HB ASP 49 -7.675 7.013 3.411 356 H SER 50 H SER 50 -6.207 6.948 1.170 357 HA SER 50 HA SER 50 -3.935 8.869 0.798 358 1HB SER 50 1HB SER 50 -4.358 5.887 0.168 359 2HB SER 50 2HB SER 50 -2.921 6.728 -0.403 360 HG SER 50 HG SER 50 -2.458 5.853 1.564 361 H ASP 51 H ASP 51 -6.221 7.183 -1.344 362 HA ASP 51 HA ASP 51 -4.727 7.684 -3.791 363 1HB ASP 51 1HB ASP 51 -6.421 5.774 -3.150 364 2HB ASP 51 2HB ASP 51 -7.688 6.853 -3.715 365 H LYS 52 H LYS 52 -5.909 8.529 -5.828 366 HA LYS 52 HA LYS 52 -8.005 10.646 -5.330 367 1HB LYS 52 1HB LYS 52 -7.065 12.254 -6.925 368 2HB LYS 52 2HB LYS 52 -6.039 12.081 -5.535 369 1HG LYS 52 1HG LYS 52 -5.553 10.926 -8.390 370 2HG LYS 52 2HG LYS 52 -4.736 12.280 -7.677 371 1HD LYS 52 1HD LYS 52 -3.875 10.678 -5.799 372 2HD LYS 52 2HD LYS 52 -4.369 9.337 -6.779 373 1HE LYS 52 1HE LYS 52 -1.979 11.164 -7.048 374 2HE LYS 52 2HE LYS 52 -2.172 9.492 -7.572 375 1HZ LYS 52 1HZ LYS 52 -3.842 10.842 -9.378 376 2HZ LYS 52 2HZ LYS 52 -2.642 11.926 -9.156 377 3HZ LYS 52 3HZ LYS 52 -2.258 10.493 -9.710 378 H ASN 53 H ASN 53 -7.560 11.077 -8.454 379 HA ASN 53 HA ASN 53 -10.145 9.846 -8.842 380 1HB ASN 53 1HB ASN 53 -10.052 10.869 -11.143 381 2HB ASN 53 2HB ASN 53 -9.531 11.982 -9.910 382 1HD2 ASN 53 1HD2 ASN 53 -6.295 12.339 -11.336 383 2HD2 ASN 53 2HD2 ASN 53 -7.390 12.719 -9.933 384 H ASN 54 H ASN 54 -7.124 8.979 -10.563 385 HA ASN 54 HA ASN 54 -6.268 6.804 -11.191 386 1HB ASN 54 1HB ASN 54 -7.847 6.450 -8.567 387 2HB ASN 54 2HB ASN 54 -7.054 5.076 -9.285 388 1HD2 ASN 54 1HD2 ASN 54 -3.796 6.223 -8.331 389 2HD2 ASN 54 2HD2 ASN 54 -4.722 5.101 -9.427 390 H ASP 55 H ASP 55 -7.203 6.398 -13.190 391 HA ASP 55 HA ASP 55 -9.229 4.725 -14.144 392 1HB ASP 55 1HB ASP 55 -6.675 5.315 -14.955 393 2HB ASP 55 2HB ASP 55 -6.414 3.638 -14.496 394 H GLY 56 H GLY 56 -6.839 3.649 -11.725 395 1HA GLY 56 1HA GLY 56 -8.833 2.684 -9.986 396 2HA GLY 56 2HA GLY 56 -8.410 1.215 -10.876 397 H ARG 57 H ARG 57 -5.517 2.244 -10.990 398 HA ARG 57 HA ARG 57 -4.863 0.533 -8.548 399 1HB ARG 57 1HB ARG 57 -2.989 -0.329 -10.132 400 2HB ARG 57 2HB ARG 57 -4.656 -0.791 -10.473 401 1HG ARG 57 1HG ARG 57 -4.732 0.428 -12.476 402 2HG ARG 57 2HG ARG 57 -3.775 1.764 -11.840 403 1HD ARG 57 1HD ARG 57 -2.440 0.644 -13.590 404 2HD ARG 57 2HD ARG 57 -1.675 0.328 -12.034 405 HE ARG 57 HE ARG 57 -3.288 -1.877 -11.992 406 1HH1 ARG 57 2HH1 ARG 57 -1.383 -0.749 -14.658 407 2HH1 ARG 57 1HH1 ARG 57 -1.105 -2.470 -15.250 408 1HH2 ARG 57 1HH2 ARG 57 -3.091 -3.708 -12.751 409 2HH2 ARG 57 2HH2 ARG 57 -2.065 -4.072 -14.224 410 H ILE 58 H ILE 58 -2.511 0.405 -7.973 411 HA ILE 58 HA ILE 58 -1.483 3.211 -7.415 412 HB ILE 58 HB ILE 58 -1.209 0.587 -5.871 413 1HG1 ILE 58 1HG1 ILE 58 -2.542 3.283 -5.146 414 2HG1 ILE 58 2HG1 ILE 58 -3.369 1.797 -5.520 415 1HG2 ILE 58 1HG2 ILE 58 1.003 1.804 -5.663 416 2HG2 ILE 58 2HG2 ILE 58 0.163 3.276 -5.135 417 3HG2 ILE 58 3HG2 ILE 58 0.147 1.812 -4.125 418 1HD1 ILE 58 1HD1 ILE 58 -2.400 0.651 -3.475 419 2HD1 ILE 58 2HD1 ILE 58 -1.654 2.197 -2.995 420 3HD1 ILE 58 3HD1 ILE 58 -3.423 2.061 -3.101 421 H ASP 59 H ASP 59 0.595 3.870 -7.874 422 HA ASP 59 HA ASP 59 2.666 1.787 -8.725 423 1HB ASP 59 1HB ASP 59 3.753 3.646 -9.983 424 2HB ASP 59 2HB ASP 59 2.074 3.440 -10.462 425 H PHE 60 H PHE 60 5.036 2.936 -8.356 426 HA PHE 60 HA PHE 60 5.592 2.080 -5.573 427 1HB PHE 60 1HB PHE 60 7.144 1.988 -7.673 428 2HB PHE 60 2HB PHE 60 7.483 3.666 -7.407 429 HD1 PHE 60 HD1 PHE 60 7.170 2.677 -4.123 430 HD2 PHE 60 HD2 PHE 60 9.835 2.129 -7.447 431 HE1 PHE 60 HE1 PHE 60 8.990 2.127 -2.572 432 HE2 PHE 60 HE2 PHE 60 11.654 1.553 -5.882 433 HZ PHE 60 HZ PHE 60 11.217 1.492 -3.443 434 H ASP 61 H ASP 61 4.961 5.219 -6.988 435 HA ASP 61 HA ASP 61 5.897 7.075 -4.879 436 1HB ASP 61 1HB ASP 61 5.176 8.216 -6.831 437 2HB ASP 61 2HB ASP 61 3.887 7.078 -7.176 438 H GLU 62 H GLU 62 2.555 6.517 -5.576 439 HA GLU 62 HA GLU 62 1.120 6.792 -3.119 440 1HB GLU 62 1HB GLU 62 0.469 4.536 -5.051 441 2HB GLU 62 2HB GLU 62 -0.622 5.396 -4.006 442 1HG GLU 62 1HG GLU 62 0.083 7.551 -5.518 443 2HG GLU 62 2HG GLU 62 0.590 6.332 -6.673 444 H PHE 63 H PHE 63 3.333 4.118 -3.811 445 HA PHE 63 HA PHE 63 2.483 2.329 -1.541 446 1HB PHE 63 1HB PHE 63 3.838 1.641 -3.623 447 2HB PHE 63 2HB PHE 63 5.197 2.499 -2.980 448 HD1 PHE 63 HD1 PHE 63 2.814 0.009 -1.363 449 HD2 PHE 63 HD2 PHE 63 6.900 1.132 -2.114 450 HE1 PHE 63 HE1 PHE 63 3.582 -1.787 0.098 451 HE2 PHE 63 HE2 PHE 63 7.653 -0.682 -0.632 452 HZ PHE 63 HZ PHE 63 6.002 -2.184 0.430 453 H LEU 64 H LEU 64 5.323 4.461 -1.967 454 HA LEU 64 HA LEU 64 6.295 4.630 0.707 455 1HB LEU 64 1HB LEU 64 6.266 6.742 -1.503 456 2HB LEU 64 2HB LEU 64 7.073 7.044 0.015 457 HG LEU 64 HG LEU 64 7.800 4.541 -1.591 458 1HD1 LEU 64 1HD1 LEU 64 8.809 7.414 -2.156 459 2HD1 LEU 64 2HD1 LEU 64 9.574 5.925 -2.775 460 3HD1 LEU 64 3HD1 LEU 64 7.921 6.322 -3.253 461 1HD2 LEU 64 1HD2 LEU 64 9.418 6.371 0.333 462 2HD2 LEU 64 2HD2 LEU 64 8.865 4.701 0.652 463 3HD2 LEU 64 3HD2 LEU 64 10.098 5.000 -0.580 464 H LYS 65 H LYS 65 3.576 6.501 -0.599 465 HA LYS 65 HA LYS 65 3.126 8.076 1.903 466 1HB LYS 65 1HB LYS 65 1.611 7.623 -0.729 467 2HB LYS 65 2HB LYS 65 1.074 8.798 0.456 468 1HG LYS 65 1HG LYS 65 3.822 9.489 -0.083 469 2HG LYS 65 2HG LYS 65 3.185 8.937 -1.644 470 1HD LYS 65 1HD LYS 65 1.095 10.505 -0.423 471 2HD LYS 65 2HD LYS 65 2.568 11.457 -0.208 472 1HE LYS 65 1HE LYS 65 2.029 10.325 -3.005 473 2HE LYS 65 2HE LYS 65 0.870 11.530 -2.412 474 1HZ LYS 65 1HZ LYS 65 3.168 12.827 -1.717 475 2HZ LYS 65 2HZ LYS 65 3.805 11.915 -2.909 476 3HZ LYS 65 3HZ LYS 65 2.616 12.937 -3.268 477 H MET 66 H MET 66 0.959 5.650 0.307 478 HA MET 66 HA MET 66 -0.671 4.851 2.418 479 1HB MET 66 1HB MET 66 -0.969 3.872 0.235 480 2HB MET 66 2HB MET 66 0.638 3.179 0.217 481 1HG MET 66 1HG MET 66 0.073 1.426 1.824 482 2HG MET 66 2HG MET 66 -1.488 2.173 2.214 483 1HE MET 66 1HE MET 66 -0.376 -0.810 0.955 484 2HE MET 66 2HE MET 66 -0.694 -0.982 -0.796 485 3HE MET 66 3HE MET 66 0.637 0.072 -0.230 486 H MET 67 H MET 67 2.700 3.722 2.093 487 HA MET 67 HA MET 67 2.718 1.990 4.469 488 1HB MET 67 1HB MET 67 4.446 1.674 2.775 489 2HB MET 67 2HB MET 67 4.949 3.350 2.858 490 1HG MET 67 1HG MET 67 6.618 1.887 3.992 491 2HG MET 67 2HG MET 67 5.925 3.051 5.138 492 1HE MET 67 1HE MET 67 6.056 -0.266 3.579 493 2HE MET 67 2HE MET 67 5.820 -1.427 4.925 494 3HE MET 67 3HE MET 67 4.415 -0.867 3.965 495 H GLU 68 H GLU 68 4.449 5.161 4.190 496 HA GLU 68 HA GLU 68 4.381 5.766 7.005 497 1HB GLU 68 1HB GLU 68 4.566 7.808 4.746 498 2HB GLU 68 2HB GLU 68 5.027 8.076 6.400 499 1HG GLU 68 1HG GLU 68 6.763 6.029 5.963 500 2HG GLU 68 2HG GLU 68 6.488 6.404 4.272 501 H GLY 69 H GLY 69 2.389 7.793 4.777 502 1HA GLY 69 1HA GLY 69 -0.021 8.335 5.531 503 2HA GLY 69 2HA GLY 69 0.574 8.340 7.196 504 H VAL 70 H VAL 70 -0.772 10.441 5.371 505 HA VAL 70 HA VAL 70 0.941 12.735 6.463 506 HB VAL 70 HB VAL 70 0.008 12.602 3.984 507 1HG1 VAL 70 1HG1 VAL 70 -2.432 13.852 5.439 508 2HG1 VAL 70 2HG1 VAL 70 -2.153 13.910 3.680 509 3HG1 VAL 70 3HG1 VAL 70 -2.436 12.358 4.472 510 1HG2 VAL 70 1HG2 VAL 70 1.296 14.573 4.905 511 2HG2 VAL 70 2HG2 VAL 70 0.010 15.106 3.833 512 3HG2 VAL 70 3HG2 VAL 70 -0.190 15.252 5.604 513 H GLN 71 H GLN 71 -0.042 14.334 7.777 514 HA GLN 71 HA GLN 71 -2.370 13.634 9.541 515 1HB GLN 71 1HB GLN 71 -0.508 14.926 10.449 516 2HB GLN 71 2HB GLN 71 -0.692 16.182 9.226 517 1HG GLN 71 1HG GLN 71 -2.610 17.112 10.275 518 2HG GLN 71 2HG GLN 71 -3.146 15.597 10.977 519 1HE2 GLN 71 1HE2 GLN 71 -0.631 17.998 13.103 520 2HE2 GLN 71 2HE2 GLN 71 -0.943 18.283 11.302 521 1HN NH2 72 1HN NH2 72 -1.871 15.504 6.483 522 2HN NH2 72 2HN NH2 72 -3.590 15.905 6.228 No H/Q in entry = 522 Start of MODEL 9 1 1H ACE 1 1HH3 ACE 1 17.857 11.916 6.694 2 2H ACE 1 2HH3 ACE 1 16.434 13.016 6.760 3 3H ACE 1 3HH3 ACE 1 16.785 11.902 8.111 4 H LYS 2 H LYS 2 16.117 11.762 4.584 5 HA LYS 2 HA LYS 2 14.406 9.329 4.977 6 1HB LYS 2 1HB LYS 2 13.467 9.736 2.909 7 2HB LYS 2 2HB LYS 2 13.834 11.365 3.434 8 1HG LYS 2 1HG LYS 2 15.778 11.472 1.831 9 2HG LYS 2 2HG LYS 2 15.738 9.746 1.584 10 1HD LYS 2 1HD LYS 2 13.333 10.091 0.548 11 2HD LYS 2 2HD LYS 2 13.673 11.823 0.575 12 1HE LYS 2 1HE LYS 2 15.874 10.093 -0.595 13 2HE LYS 2 2HE LYS 2 14.392 10.164 -1.566 14 1HZ LYS 2 1HZ LYS 2 15.617 12.750 -0.513 15 2HZ LYS 2 2HZ LYS 2 16.009 12.160 -2.017 16 3HZ LYS 2 3HZ LYS 2 14.508 12.602 -1.608 17 H SER 3 H SER 3 15.012 7.210 4.528 18 HA SER 3 HA SER 3 17.361 6.644 2.702 19 1HB SER 3 1HB SER 3 15.907 5.301 4.853 20 2HB SER 3 2HB SER 3 16.014 4.214 3.489 21 HG SER 3 HG SER 3 18.209 5.680 4.623 22 H GLU 4 H GLU 4 16.582 4.349 1.449 23 HA GLU 4 HA GLU 4 13.896 4.364 0.343 24 1HB GLU 4 1HB GLU 4 14.180 5.954 -1.221 25 2HB GLU 4 2HB GLU 4 15.886 5.627 -1.400 26 1HG GLU 4 1HG GLU 4 15.493 3.874 -3.067 27 2HG GLU 4 2HG GLU 4 13.794 3.714 -2.638 28 H GLU 5 H GLU 5 17.157 3.023 -0.030 29 HA GLU 5 HA GLU 5 16.734 0.490 -1.019 30 1HB GLU 5 1HB GLU 5 18.909 0.944 -0.447 31 2HB GLU 5 2HB GLU 5 18.547 1.466 1.170 32 1HG GLU 5 1HG GLU 5 18.669 -0.739 2.074 33 2HG GLU 5 2HG GLU 5 18.149 -1.517 0.590 34 H GLU 6 H GLU 6 15.994 1.150 2.421 35 HA GLU 6 HA GLU 6 15.166 -1.613 3.036 36 1HB GLU 6 1HB GLU 6 15.824 -0.756 4.974 37 2HB GLU 6 2HB GLU 6 15.518 0.891 4.514 38 1HG GLU 6 1HG GLU 6 14.006 0.732 6.301 39 2HG GLU 6 2HG GLU 6 12.909 0.221 5.031 40 H LEU 7 H LEU 7 13.191 1.296 2.398 41 HA LEU 7 HA LEU 7 10.566 -0.082 2.354 42 1HB LEU 7 1HB LEU 7 11.487 2.540 1.056 43 2HB LEU 7 2HB LEU 7 9.831 1.986 1.021 44 HG LEU 7 HG LEU 7 10.254 1.904 3.754 45 1HD1 LEU 7 1HD1 LEU 7 12.576 2.779 3.576 46 2HD1 LEU 7 2HD1 LEU 7 12.009 4.229 2.710 47 3HD1 LEU 7 3HD1 LEU 7 11.541 3.949 4.407 48 1HD2 LEU 7 1HD2 LEU 7 9.386 4.388 2.098 49 2HD2 LEU 7 2HD2 LEU 7 8.327 3.088 2.708 50 3HD2 LEU 7 3HD2 LEU 7 9.119 4.177 3.849 51 H ALA 8 H ALA 8 13.040 0.340 -0.154 52 HA ALA 8 HA ALA 8 11.675 -0.840 -2.382 53 1HB ALA 8 1HB ALA 8 14.662 -0.991 -1.583 54 2HB ALA 8 2HB ALA 8 14.017 -1.342 -3.199 55 3HB ALA 8 3HB ALA 8 13.871 0.289 -2.533 56 H ASN 9 H ASN 9 14.056 -2.803 -0.523 57 HA ASN 9 HA ASN 9 13.125 -5.462 -0.874 58 1HB ASN 9 1HB ASN 9 14.126 -4.080 1.707 59 2HB ASN 9 2HB ASN 9 13.841 -5.797 1.621 60 1HD2 ASN 9 1HD2 ASN 9 17.420 -5.325 0.884 61 2HD2 ASN 9 2HD2 ASN 9 16.279 -5.130 2.289 62 H ALA 10 H ALA 10 11.635 -3.118 1.382 63 HA ALA 10 HA ALA 10 9.724 -5.036 2.644 64 1HB ALA 10 1HB ALA 10 10.634 -3.005 3.789 65 2HB ALA 10 2HB ALA 10 9.795 -1.939 2.632 66 3HB ALA 10 3HB ALA 10 8.860 -2.965 3.743 67 H PHE 11 H PHE 11 9.357 -2.566 0.064 68 HA PHE 11 HA PHE 11 6.538 -3.130 -0.523 69 1HB PHE 11 1HB PHE 11 7.752 -1.008 -1.079 70 2HB PHE 11 2HB PHE 11 8.711 -1.838 -2.257 71 HD1 PHE 11 HD1 PHE 11 5.219 -0.703 -1.549 72 HD2 PHE 11 HD2 PHE 11 7.858 -2.303 -4.546 73 HE1 PHE 11 HE1 PHE 11 3.643 -0.025 -3.312 74 HE2 PHE 11 HE2 PHE 11 6.271 -1.607 -6.297 75 HZ PHE 11 HZ PHE 11 4.163 -0.467 -5.679 76 H ARG 12 H ARG 12 9.499 -4.476 -1.979 77 HA ARG 12 HA ARG 12 8.167 -6.435 -3.719 78 1HB ARG 12 1HB ARG 12 10.442 -6.046 -4.203 79 2HB ARG 12 2HB ARG 12 10.963 -6.188 -2.528 80 1HG ARG 12 1HG ARG 12 10.897 -8.592 -2.562 81 2HG ARG 12 2HG ARG 12 9.770 -8.661 -3.922 82 1HD ARG 12 1HD ARG 12 12.593 -7.484 -4.305 83 2HD ARG 12 2HD ARG 12 12.326 -9.249 -4.344 84 HE ARG 12 HE ARG 12 10.455 -8.697 -6.161 85 1HH1 ARG 12 2HH1 ARG 12 13.333 -6.796 -5.823 86 2HH1 ARG 12 1HH1 ARG 12 13.287 -6.268 -7.574 87 1HH2 ARG 12 1HH2 ARG 12 10.419 -8.094 -8.111 88 2HH2 ARG 12 2HH2 ARG 12 11.696 -6.992 -8.805 89 H ILE 13 H ILE 13 8.814 -6.442 -0.271 90 HA ILE 13 HA ILE 13 8.445 -9.374 0.140 91 HB ILE 13 HB ILE 13 8.800 -7.031 2.067 92 1HG1 ILE 13 1HG1 ILE 13 10.785 -8.374 0.707 93 2HG1 ILE 13 2HG1 ILE 13 11.012 -7.597 2.250 94 1HG2 ILE 13 1HG2 ILE 13 7.280 -8.663 3.254 95 2HG2 ILE 13 2HG2 ILE 13 8.400 -10.000 2.902 96 3HG2 ILE 13 3HG2 ILE 13 8.869 -8.686 3.999 97 1HD1 ILE 13 1HD1 ILE 13 10.644 -9.748 3.502 98 2HD1 ILE 13 2HD1 ILE 13 10.470 -10.612 1.954 99 3HD1 ILE 13 3HD1 ILE 13 12.009 -9.832 2.366 100 H PHE 14 H PHE 14 6.389 -6.544 0.349 101 HA PHE 14 HA PHE 14 4.048 -7.870 1.753 102 1HB PHE 14 1HB PHE 14 4.433 -5.146 0.355 103 2HB PHE 14 2HB PHE 14 2.869 -5.685 0.873 104 HD1 PHE 14 HD1 PHE 14 4.749 -7.101 3.381 105 HD2 PHE 14 HD2 PHE 14 3.652 -3.191 1.984 106 HE1 PHE 14 HE1 PHE 14 5.053 -6.199 5.653 107 HE2 PHE 14 HE2 PHE 14 3.979 -2.290 4.253 108 HZ PHE 14 HZ PHE 14 4.688 -3.784 6.089 109 H ASP 15 H ASP 15 5.223 -7.366 -1.505 110 HA ASP 15 HA ASP 15 2.977 -7.722 -3.248 111 1HB ASP 15 1HB ASP 15 5.277 -7.266 -4.019 112 2HB ASP 15 2HB ASP 15 5.847 -8.830 -3.455 113 H LYS 16 H LYS 16 1.755 -9.345 -3.995 114 HA LYS 16 HA LYS 16 2.157 -12.154 -2.901 115 1HB LYS 16 1HB LYS 16 -0.024 -12.528 -2.397 116 2HB LYS 16 2HB LYS 16 -0.129 -10.794 -2.273 117 1HG LYS 16 1HG LYS 16 -0.817 -11.029 -4.926 118 2HG LYS 16 2HG LYS 16 -1.154 -12.689 -4.453 119 1HD LYS 16 1HD LYS 16 -2.556 -10.126 -3.560 120 2HD LYS 16 2HD LYS 16 -3.232 -11.611 -4.225 121 1HE LYS 16 1HE LYS 16 -2.141 -11.365 -1.362 122 2HE LYS 16 2HE LYS 16 -3.859 -11.409 -1.809 123 1HZ LYS 16 1HZ LYS 16 -3.055 -13.590 -3.150 124 2HZ LYS 16 2HZ LYS 16 -1.852 -13.666 -2.032 125 3HZ LYS 16 3HZ LYS 16 -3.439 -13.737 -1.575 126 H ASN 17 H ASN 17 0.771 -10.289 -5.687 127 HA ASN 17 HA ASN 17 2.419 -12.120 -7.493 128 1HB ASN 17 1HB ASN 17 -0.312 -10.851 -7.811 129 2HB ASN 17 2HB ASN 17 0.635 -11.056 -9.260 130 1HD2 ASN 17 1HD2 ASN 17 -0.667 -14.271 -9.599 131 2HD2 ASN 17 2HD2 ASN 17 -0.455 -12.639 -10.314 132 H ALA 18 H ALA 18 1.037 -9.137 -8.828 133 HA ALA 18 HA ALA 18 1.775 -6.811 -8.698 134 1HB ALA 18 1HB ALA 18 2.588 -7.372 -6.377 135 2HB ALA 18 2HB ALA 18 4.105 -7.993 -7.064 136 3HB ALA 18 3HB ALA 18 3.715 -6.272 -7.218 137 H ASP 19 H ASP 19 2.068 -7.519 -11.127 138 HA ASP 19 HA ASP 19 4.624 -7.276 -12.392 139 1HB ASP 19 1HB ASP 19 1.875 -6.105 -13.131 140 2HB ASP 19 2HB ASP 19 3.263 -5.944 -14.198 141 H GLY 20 H GLY 20 3.367 -5.047 -10.153 142 1HA GLY 20 1HA GLY 20 5.505 -3.112 -10.280 143 2HA GLY 20 2HA GLY 20 4.205 -2.405 -11.247 144 H TYR 21 H TYR 21 2.189 -3.757 -9.295 145 HA TYR 21 HA TYR 21 2.099 -1.247 -7.506 146 1HB TYR 21 1HB TYR 21 -0.321 -2.643 -8.816 147 2HB TYR 21 2HB TYR 21 -0.393 -1.288 -7.729 148 HD1 TYR 21 HD1 TYR 21 2.397 -1.118 -10.090 149 HD2 TYR 21 HD2 TYR 21 -1.751 -0.118 -9.548 150 HE1 TYR 21 HE1 TYR 21 2.524 0.469 -11.971 151 HE2 TYR 21 HE2 TYR 21 -1.605 1.436 -11.468 152 HH TYR 21 HH TYR 21 0.399 1.431 -13.721 153 H ILE 22 H ILE 22 1.106 -1.475 -5.449 154 HA ILE 22 HA ILE 22 0.348 -4.294 -4.508 155 HB ILE 22 HB ILE 22 1.254 -1.870 -2.866 156 1HG1 ILE 22 1HG1 ILE 22 2.636 -4.605 -3.302 157 2HG1 ILE 22 2HG1 ILE 22 3.162 -3.081 -3.965 158 1HG2 ILE 22 1HG2 ILE 22 -0.499 -3.162 -1.566 159 2HG2 ILE 22 2HG2 ILE 22 0.411 -4.667 -1.797 160 3HG2 ILE 22 3HG2 ILE 22 1.075 -3.341 -0.808 161 1HD1 ILE 22 1HD1 ILE 22 3.560 -2.140 -1.631 162 2HD1 ILE 22 2HD1 ILE 22 3.218 -3.759 -0.969 163 3HD1 ILE 22 3HD1 ILE 22 4.594 -3.525 -2.066 164 H ASP 23 H ASP 23 -1.694 -4.755 -4.061 165 HA ASP 23 HA ASP 23 -3.679 -2.579 -4.842 166 1HB ASP 23 1HB ASP 23 -5.009 -4.553 -5.792 167 2HB ASP 23 2HB ASP 23 -3.440 -4.278 -6.537 168 H ILE 24 H ILE 24 -6.075 -3.439 -4.320 169 HA ILE 24 HA ILE 24 -6.377 -2.913 -1.368 170 HB ILE 24 HB ILE 24 -7.923 -2.146 -3.466 171 1HG1 ILE 24 1HG1 ILE 24 -8.608 -2.417 -0.503 172 2HG1 ILE 24 2HG1 ILE 24 -8.319 -0.978 -1.442 173 1HG2 ILE 24 1HG2 ILE 24 -8.837 -4.459 -3.970 174 2HG2 ILE 24 2HG2 ILE 24 -9.480 -4.578 -2.320 175 3HG2 ILE 24 3HG2 ILE 24 -10.133 -3.384 -3.471 176 1HD1 ILE 24 1HD1 ILE 24 -10.539 -1.262 -2.657 177 2HD1 ILE 24 2HD1 ILE 24 -10.924 -2.603 -1.549 178 3HD1 ILE 24 3HD1 ILE 24 -10.681 -0.966 -0.904 179 H GLU 25 H GLU 25 -6.508 -5.671 -3.507 180 HA GLU 25 HA GLU 25 -7.552 -7.595 -1.455 181 1HB GLU 25 1HB GLU 25 -7.054 -7.644 -4.314 182 2HB GLU 25 2HB GLU 25 -6.275 -9.023 -3.601 183 1HG GLU 25 1HG GLU 25 -9.195 -8.531 -2.812 184 2HG GLU 25 2HG GLU 25 -8.881 -9.082 -4.447 185 H GLU 26 H GLU 26 -4.413 -6.428 -2.372 186 HA GLU 26 HA GLU 26 -2.799 -8.387 -0.778 187 1HB GLU 26 1HB GLU 26 -2.121 -5.697 -2.025 188 2HB GLU 26 2HB GLU 26 -1.000 -6.514 -0.979 189 1HG GLU 26 1HG GLU 26 -1.240 -8.579 -2.683 190 2HG GLU 26 2HG GLU 26 -1.960 -7.408 -3.772 191 H LEU 27 H LEU 27 -4.397 -5.330 -0.102 192 HA LEU 27 HA LEU 27 -2.719 -4.412 2.047 193 1HB LEU 27 1HB LEU 27 -4.214 -2.959 0.754 194 2HB LEU 27 2HB LEU 27 -5.640 -3.727 1.404 195 HG LEU 27 HG LEU 27 -4.437 -1.373 2.375 196 1HD1 LEU 27 1HD1 LEU 27 -6.841 -2.023 2.559 197 2HD1 LEU 27 2HD1 LEU 27 -6.459 -3.212 3.837 198 3HD1 LEU 27 3HD1 LEU 27 -6.207 -1.463 4.105 199 1HD2 LEU 27 1HD2 LEU 27 -3.913 -3.621 4.461 200 2HD2 LEU 27 2HD2 LEU 27 -2.665 -2.654 3.621 201 3HD2 LEU 27 3HD2 LEU 27 -3.779 -1.862 4.740 202 H GLY 28 H GLY 28 -6.039 -5.627 2.613 203 1HA GLY 28 1HA GLY 28 -6.168 -5.918 5.481 204 2HA GLY 28 2HA GLY 28 -6.922 -7.049 4.351 205 H GLU 29 H GLU 29 -4.906 -8.383 3.203 206 HA GLU 29 HA GLU 29 -4.240 -10.287 5.350 207 1HB GLU 29 1HB GLU 29 -3.619 -10.394 2.366 208 2HB GLU 29 2HB GLU 29 -3.263 -11.694 3.462 209 1HG GLU 29 1HG GLU 29 -5.787 -11.106 2.088 210 2HG GLU 29 2HG GLU 29 -5.360 -12.544 2.998 211 H ILE 30 H ILE 30 -2.332 -7.840 3.826 212 HA ILE 30 HA ILE 30 0.295 -8.463 5.128 213 HB ILE 30 HB ILE 30 -0.955 -5.822 4.217 214 1HG1 ILE 30 1HG1 ILE 30 -0.182 -7.021 2.257 215 2HG1 ILE 30 2HG1 ILE 30 0.991 -5.773 2.577 216 1HG2 ILE 30 1HG2 ILE 30 0.521 -5.320 6.198 217 2HG2 ILE 30 2HG2 ILE 30 1.873 -6.198 5.437 218 3HG2 ILE 30 3HG2 ILE 30 1.240 -4.689 4.720 219 1HD1 ILE 30 1HD1 ILE 30 1.501 -8.731 3.318 220 2HD1 ILE 30 2HD1 ILE 30 2.162 -7.833 1.935 221 3HD1 ILE 30 3HD1 ILE 30 2.611 -7.362 3.586 222 H LEU 31 H LEU 31 -2.119 -6.013 6.095 223 HA LEU 31 HA LEU 31 -1.219 -5.558 8.760 224 1HB LEU 31 1HB LEU 31 -4.211 -5.503 8.395 225 2HB LEU 31 2HB LEU 31 -3.166 -4.344 9.179 226 HG LEU 31 HG LEU 31 -3.750 -4.623 6.191 227 1HD1 LEU 31 1HD1 LEU 31 -3.978 -2.287 8.206 228 2HD1 LEU 31 2HD1 LEU 31 -4.325 -2.181 6.459 229 3HD1 LEU 31 3HD1 LEU 31 -5.306 -3.236 7.482 230 1HD2 LEU 31 1HD2 LEU 31 -1.445 -2.969 7.450 231 2HD2 LEU 31 2HD2 LEU 31 -1.287 -4.283 6.251 232 3HD2 LEU 31 3HD2 LEU 31 -2.056 -2.762 5.787 233 H ARG 32 H ARG 32 -3.369 -8.158 7.738 234 HA ARG 32 HA ARG 32 -3.853 -9.011 10.621 235 1HB ARG 32 1HB ARG 32 -5.983 -9.356 9.906 236 2HB ARG 32 2HB ARG 32 -5.507 -8.337 8.549 237 1HG ARG 32 1HG ARG 32 -6.231 -10.078 7.218 238 2HG ARG 32 2HG ARG 32 -4.738 -10.915 7.685 239 1HD ARG 32 1HD ARG 32 -6.033 -11.776 9.808 240 2HD ARG 32 2HD ARG 32 -7.516 -11.173 9.036 241 HE ARG 32 HE ARG 32 -5.874 -12.886 7.195 242 1HH1 ARG 32 2HH1 ARG 32 -8.353 -13.018 9.626 243 2HH1 ARG 32 1HH1 ARG 32 -8.948 -14.642 9.037 244 1HH2 ARG 32 1HH2 ARG 32 -6.584 -14.705 6.549 245 2HH2 ARG 32 2HH2 ARG 32 -7.986 -15.528 7.373 246 H ALA 33 H ALA 33 -2.448 -10.243 7.637 247 HA ALA 33 HA ALA 33 -1.741 -12.887 9.005 248 1HB ALA 33 1HB ALA 33 -3.325 -13.020 7.089 249 2HB ALA 33 2HB ALA 33 -2.151 -12.208 6.017 250 3HB ALA 33 3HB ALA 33 -1.798 -13.819 6.680 251 H THR 34 H THR 34 0.172 -14.034 8.081 252 HA THR 34 HA THR 34 2.579 -12.249 8.344 253 HB THR 34 HB THR 34 3.738 -14.669 8.459 254 HG1 THR 34 HG1 THR 34 1.387 -15.389 9.705 255 1HG2 THR 34 2HG2 THR 34 3.463 -12.943 10.357 256 2HG2 THR 34 3HG2 THR 34 1.880 -13.673 10.734 257 3HG2 THR 34 1HG2 THR 34 3.360 -14.630 10.923 258 H GLY 35 H GLY 35 1.185 -14.413 5.916 259 1HA GLY 35 1HA GLY 35 3.548 -13.990 3.991 260 2HA GLY 35 2HA GLY 35 3.102 -15.635 4.461 261 1HN NH2 36 1HN NH2 36 3.229 -14.828 1.734 262 2HN NH2 36 2HN NH2 36 1.584 -14.888 1.048 263 1H ACE 37 1HH3 ACE 37 -11.827 -6.933 14.124 264 2H ACE 37 2HH3 ACE 37 -11.297 -8.604 13.727 265 3H ACE 37 3HH3 ACE 37 -10.173 -7.471 14.521 266 H VAL 38 H VAL 38 -11.944 -8.053 11.494 267 HA VAL 38 HA VAL 38 -10.810 -5.560 10.207 268 HB VAL 38 HB VAL 38 -10.380 -7.280 8.082 269 1HG1 VAL 38 1HG1 VAL 38 -8.286 -6.239 10.126 270 2HG1 VAL 38 2HG1 VAL 38 -7.878 -6.887 8.521 271 3HG1 VAL 38 3HG1 VAL 38 -8.836 -5.409 8.659 272 1HG2 VAL 38 1HG2 VAL 38 -10.451 -9.367 9.517 273 2HG2 VAL 38 2HG2 VAL 38 -8.814 -9.096 8.881 274 3HG2 VAL 38 3HG2 VAL 38 -9.192 -8.689 10.573 275 H THR 39 H THR 39 -12.016 -4.935 8.362 276 HA THR 39 HA THR 39 -14.422 -6.509 7.505 277 HB THR 39 HB THR 39 -16.174 -5.054 8.038 278 HG1 THR 39 HG1 THR 39 -14.562 -3.038 9.113 279 1HG2 THR 39 2HG2 THR 39 -14.207 -4.758 10.417 280 2HG2 THR 39 3HG2 THR 39 -15.969 -4.512 10.501 281 3HG2 THR 39 1HG2 THR 39 -15.314 -6.123 10.142 282 H GLU 40 H GLU 40 -15.528 -5.305 5.654 283 HA GLU 40 HA GLU 40 -13.623 -4.362 3.566 284 1HB GLU 40 1HB GLU 40 -16.652 -4.108 3.445 285 2HB GLU 40 2HB GLU 40 -15.535 -4.085 2.116 286 1HG GLU 40 1HG GLU 40 -15.404 -6.661 3.681 287 2HG GLU 40 2HG GLU 40 -16.993 -6.343 3.012 288 H GLU 41 H GLU 41 -16.306 -2.609 5.152 289 HA GLU 41 HA GLU 41 -15.676 -0.079 3.975 290 1HB GLU 41 1HB GLU 41 -17.585 -1.055 6.010 291 2HB GLU 41 2HB GLU 41 -17.179 0.618 6.242 292 1HG GLU 41 1HG GLU 41 -17.796 0.859 3.609 293 2HG GLU 41 2HG GLU 41 -18.628 -0.666 3.850 294 H ASP 42 H ASP 42 -14.306 -1.336 6.955 295 HA ASP 42 HA ASP 42 -12.854 1.158 7.601 296 1HB ASP 42 1HB ASP 42 -12.801 -1.728 8.604 297 2HB ASP 42 2HB ASP 42 -11.512 -0.640 9.098 298 H ILE 43 H ILE 43 -11.957 -1.710 5.748 299 HA ILE 43 HA ILE 43 -9.177 -0.815 5.018 300 HB ILE 43 HB ILE 43 -11.042 -2.954 3.912 301 1HG1 ILE 43 1HG1 ILE 43 -9.012 -4.475 4.347 302 2HG1 ILE 43 2HG1 ILE 43 -8.180 -3.121 5.062 303 1HG2 ILE 43 1HG2 ILE 43 -9.973 -1.945 1.858 304 2HG2 ILE 43 2HG2 ILE 43 -8.362 -2.108 2.583 305 3HG2 ILE 43 3HG2 ILE 43 -9.313 -3.549 2.143 306 1HD1 ILE 43 1HD1 ILE 43 -9.942 -2.890 6.865 307 2HD1 ILE 43 2HD1 ILE 43 -10.734 -4.365 6.250 308 3HD1 ILE 43 3HD1 ILE 43 -9.078 -4.444 6.888 309 H GLU 44 H GLU 44 -12.445 -0.361 3.732 310 HA GLU 44 HA GLU 44 -11.610 1.033 1.213 311 1HB GLU 44 1HB GLU 44 -13.641 0.519 0.561 312 2HB GLU 44 2HB GLU 44 -13.984 -0.192 2.108 313 1HG GLU 44 1HG GLU 44 -15.748 1.298 2.210 314 2HG GLU 44 2HG GLU 44 -14.571 2.525 2.640 315 H ASP 45 H ASP 45 -12.539 2.038 4.451 316 HA ASP 45 HA ASP 45 -12.517 4.999 3.924 317 1HB ASP 45 1HB ASP 45 -12.770 3.214 6.391 318 2HB ASP 45 2HB ASP 45 -12.344 4.905 6.618 319 H LEU 46 H LEU 46 -10.194 2.590 5.058 320 HA LEU 46 HA LEU 46 -7.951 4.431 5.719 321 1HB LEU 46 1HB LEU 46 -8.189 2.079 6.524 322 2HB LEU 46 2HB LEU 46 -7.924 1.461 4.911 323 HG LEU 46 HG LEU 46 -5.912 1.320 6.517 324 1HD1 LEU 46 1HD1 LEU 46 -5.953 1.498 3.770 325 2HD1 LEU 46 2HD1 LEU 46 -4.938 2.915 4.163 326 3HD1 LEU 46 3HD1 LEU 46 -4.454 1.309 4.726 327 1HD2 LEU 46 1HD2 LEU 46 -6.193 3.797 7.387 328 2HD2 LEU 46 2HD2 LEU 46 -4.540 3.252 6.977 329 3HD2 LEU 46 3HD2 LEU 46 -5.427 4.275 5.844 330 H MET 47 H MET 47 -8.456 2.524 2.740 331 HA MET 47 HA MET 47 -6.269 3.677 1.238 332 1HB MET 47 1HB MET 47 -8.860 2.336 0.273 333 2HB MET 47 2HB MET 47 -7.594 2.850 -0.830 334 1HG MET 47 1HG MET 47 -6.985 0.907 1.486 335 2HG MET 47 2HG MET 47 -7.482 0.376 -0.130 336 1HE MET 47 1HE MET 47 -6.317 0.804 -2.315 337 2HE MET 47 2HE MET 47 -6.223 2.570 -2.057 338 3HE MET 47 3HE MET 47 -4.751 1.665 -2.515 339 H LYS 48 H LYS 48 -9.697 4.696 1.302 340 HA LYS 48 HA LYS 48 -9.505 6.837 -0.792 341 1HB LYS 48 1HB LYS 48 -11.526 5.459 0.633 342 2HB LYS 48 2HB LYS 48 -11.697 7.076 1.240 343 1HG LYS 48 1HG LYS 48 -12.182 7.954 -1.056 344 2HG LYS 48 2HG LYS 48 -11.557 6.517 -1.801 345 1HD LYS 48 1HD LYS 48 -13.412 5.142 -1.274 346 2HD LYS 48 2HD LYS 48 -14.010 6.135 0.013 347 1HE LYS 48 1HE LYS 48 -15.584 6.680 -1.687 348 2HE LYS 48 2HE LYS 48 -14.412 7.949 -1.996 349 1HZ LYS 48 1HZ LYS 48 -13.325 5.929 -3.488 350 2HZ LYS 48 2HZ LYS 48 -14.840 5.499 -3.658 351 3HZ LYS 48 3HZ LYS 48 -14.358 7.007 -4.145 352 H ASP 49 H ASP 49 -8.705 6.571 2.580 353 HA ASP 49 HA ASP 49 -8.374 9.526 3.110 354 1HB ASP 49 1HB ASP 49 -8.757 7.736 4.932 355 2HB ASP 49 2HB ASP 49 -7.103 7.196 4.679 356 H SER 50 H SER 50 -6.138 6.865 2.151 357 HA SER 50 HA SER 50 -3.681 8.547 2.566 358 1HB SER 50 1HB SER 50 -2.492 6.516 1.576 359 2HB SER 50 2HB SER 50 -3.447 6.168 3.014 360 HG SER 50 HG SER 50 -3.606 4.787 1.000 361 H ASP 51 H ASP 51 -5.806 7.763 -0.102 362 HA ASP 51 HA ASP 51 -3.724 7.905 -2.192 363 1HB ASP 51 1HB ASP 51 -5.817 6.336 -1.994 364 2HB ASP 51 2HB ASP 51 -6.754 7.656 -2.681 365 H LYS 52 H LYS 52 -3.122 9.439 -3.517 366 HA LYS 52 HA LYS 52 -4.460 12.109 -3.929 367 1HB LYS 52 1HB LYS 52 -2.339 10.597 -5.545 368 2HB LYS 52 2HB LYS 52 -2.821 12.224 -5.912 369 1HG LYS 52 1HG LYS 52 -0.824 11.232 -3.952 370 2HG LYS 52 2HG LYS 52 -1.025 12.835 -4.586 371 1HD LYS 52 1HD LYS 52 -2.977 11.954 -2.423 372 2HD LYS 52 2HD LYS 52 -1.372 12.352 -1.907 373 1HE LYS 52 1HE LYS 52 -3.347 14.241 -3.427 374 2HE LYS 52 2HE LYS 52 -2.972 14.302 -1.706 375 1HZ LYS 52 1HZ LYS 52 -0.708 14.545 -3.687 376 2HZ LYS 52 2HZ LYS 52 -1.556 15.851 -3.398 377 3HZ LYS 52 3HZ LYS 52 -0.727 15.124 -2.162 378 H ASN 53 H ASN 53 -3.769 10.029 -6.660 379 HA ASN 53 HA ASN 53 -5.893 11.337 -8.093 380 1HB ASN 53 1HB ASN 53 -5.107 10.095 -10.062 381 2HB ASN 53 2HB ASN 53 -3.722 10.489 -9.082 382 1HD2 ASN 53 1HD2 ASN 53 -4.286 6.679 -10.044 383 2HD2 ASN 53 2HD2 ASN 53 -5.189 8.068 -10.798 384 H ASN 54 H ASN 54 -6.236 8.525 -6.193 385 HA ASN 54 HA ASN 54 -8.242 7.372 -5.531 386 1HB ASN 54 1HB ASN 54 -9.383 9.787 -7.071 387 2HB ASN 54 2HB ASN 54 -10.460 8.537 -6.512 388 1HD2 ASN 54 1HD2 ASN 54 -9.477 9.450 -2.993 389 2HD2 ASN 54 2HD2 ASN 54 -9.319 7.940 -3.998 390 H ASP 55 H ASP 55 -6.782 6.477 -7.853 391 HA ASP 55 HA ASP 55 -8.804 4.823 -9.385 392 1HB ASP 55 1HB ASP 55 -6.256 5.478 -10.013 393 2HB ASP 55 2HB ASP 55 -5.869 4.029 -9.096 394 H GLY 56 H GLY 56 -7.086 4.645 -6.311 395 1HA GLY 56 1HA GLY 56 -7.432 3.094 -4.459 396 2HA GLY 56 2HA GLY 56 -8.519 2.156 -5.490 397 H ARG 57 H ARG 57 -5.359 2.712 -6.764 398 HA ARG 57 HA ARG 57 -4.222 0.142 -5.592 399 1HB ARG 57 1HB ARG 57 -4.225 0.754 -8.609 400 2HB ARG 57 2HB ARG 57 -3.365 -0.584 -7.848 401 1HG ARG 57 1HG ARG 57 -5.441 -1.710 -7.222 402 2HG ARG 57 2HG ARG 57 -6.410 -0.256 -7.448 403 1HD ARG 57 1HD ARG 57 -5.571 -0.452 -10.027 404 2HD ARG 57 2HD ARG 57 -5.203 -2.114 -9.569 405 HE ARG 57 HE ARG 57 -7.944 -1.286 -8.624 406 1HH1 ARG 57 2HH1 ARG 57 -6.240 -2.841 -11.210 407 2HH1 ARG 57 1HH1 ARG 57 -7.810 -3.494 -11.916 408 1HH2 ARG 57 1HH2 ARG 57 -9.588 -2.180 -9.300 409 2HH2 ARG 57 2HH2 ARG 57 -9.614 -3.213 -10.813 410 H ILE 58 H ILE 58 -2.088 0.134 -5.182 411 HA ILE 58 HA ILE 58 -0.992 2.959 -4.956 412 HB ILE 58 HB ILE 58 -0.781 0.536 -3.105 413 1HG1 ILE 58 1HG1 ILE 58 -2.084 3.314 -2.710 414 2HG1 ILE 58 2HG1 ILE 58 -2.933 1.812 -2.943 415 1HG2 ILE 58 1HG2 ILE 58 1.441 1.750 -3.016 416 2HG2 ILE 58 2HG2 ILE 58 0.610 3.282 -2.680 417 3HG2 ILE 58 3HG2 ILE 58 0.567 1.950 -1.501 418 1HD1 ILE 58 1HD1 ILE 58 -2.024 0.870 -0.772 419 2HD1 ILE 58 2HD1 ILE 58 -1.256 2.444 -0.441 420 3HD1 ILE 58 3HD1 ILE 58 -3.025 2.329 -0.568 421 H ASP 59 H ASP 59 0.533 3.303 -6.505 422 HA ASP 59 HA ASP 59 2.840 1.436 -6.866 423 1HB ASP 59 1HB ASP 59 3.533 3.006 -8.648 424 2HB ASP 59 2HB ASP 59 1.813 2.664 -8.778 425 H PHE 60 H PHE 60 5.162 2.594 -6.966 426 HA PHE 60 HA PHE 60 5.858 2.149 -4.135 427 1HB PHE 60 1HB PHE 60 7.265 1.618 -6.241 428 2HB PHE 60 2HB PHE 60 7.675 3.298 -6.335 429 HD1 PHE 60 HD1 PHE 60 9.202 4.383 -4.696 430 HD2 PHE 60 HD2 PHE 60 8.383 0.172 -4.487 431 HE1 PHE 60 HE1 PHE 60 11.131 4.084 -3.217 432 HE2 PHE 60 HE2 PHE 60 10.333 -0.124 -3.005 433 HZ PHE 60 HZ PHE 60 11.723 1.831 -2.379 434 H ASP 61 H ASP 61 5.334 5.093 -5.951 435 HA ASP 61 HA ASP 61 6.431 7.165 -4.139 436 1HB ASP 61 1HB ASP 61 5.683 8.073 -6.199 437 2HB ASP 61 2HB ASP 61 4.336 6.961 -6.350 438 H GLU 62 H GLU 62 3.045 6.682 -4.646 439 HA GLU 62 HA GLU 62 1.839 7.281 -2.066 440 1HB GLU 62 1HB GLU 62 -0.092 5.881 -2.799 441 2HB GLU 62 2HB GLU 62 0.389 7.159 -3.878 442 1HG GLU 62 1HG GLU 62 1.615 5.269 -5.301 443 2HG GLU 62 2HG GLU 62 0.709 4.121 -4.332 444 H PHE 63 H PHE 63 3.850 4.486 -2.672 445 HA PHE 63 HA PHE 63 3.013 2.975 -0.194 446 1HB PHE 63 1HB PHE 63 4.409 2.069 -2.216 447 2HB PHE 63 2HB PHE 63 5.763 2.929 -1.563 448 HD1 PHE 63 HD1 PHE 63 3.171 0.566 -0.096 449 HD2 PHE 63 HD2 PHE 63 7.322 1.681 -0.305 450 HE1 PHE 63 HE1 PHE 63 3.720 -1.153 1.537 451 HE2 PHE 63 HE2 PHE 63 7.856 -0.067 1.336 452 HZ PHE 63 HZ PHE 63 6.067 -1.520 2.234 453 H LEU 64 H LEU 64 5.905 4.951 -0.914 454 HA LEU 64 HA LEU 64 6.924 5.442 1.700 455 1HB LEU 64 1HB LEU 64 6.910 7.243 -0.770 456 2HB LEU 64 2HB LEU 64 7.735 7.734 0.688 457 HG LEU 64 HG LEU 64 8.392 5.044 -0.635 458 1HD1 LEU 64 1HD1 LEU 64 9.537 7.821 -1.392 459 2HD1 LEU 64 2HD1 LEU 64 10.254 6.259 -1.871 460 3HD1 LEU 64 3HD1 LEU 64 8.632 6.682 -2.427 461 1HD2 LEU 64 1HD2 LEU 64 10.036 6.954 1.187 462 2HD2 LEU 64 2HD2 LEU 64 9.405 5.338 1.619 463 3HD2 LEU 64 3HD2 LEU 64 10.681 5.489 0.404 464 H LYS 65 H LYS 65 4.201 7.199 0.222 465 HA LYS 65 HA LYS 65 3.693 8.798 2.730 466 1HB LYS 65 1HB LYS 65 2.533 8.500 -0.081 467 2HB LYS 65 2HB LYS 65 1.678 9.484 1.091 468 1HG LYS 65 1HG LYS 65 4.293 10.571 1.188 469 2HG LYS 65 2HG LYS 65 4.201 9.991 -0.486 470 1HD LYS 65 1HD LYS 65 1.641 11.179 0.092 471 2HD LYS 65 2HD LYS 65 2.827 12.330 0.716 472 1HE LYS 65 1HE LYS 65 3.774 11.646 -1.923 473 2HE LYS 65 2HE LYS 65 2.008 11.638 -2.084 474 1HZ LYS 65 1HZ LYS 65 3.128 13.947 -0.531 475 2HZ LYS 65 2HZ LYS 65 3.338 14.011 -2.165 476 3HZ LYS 65 3HZ LYS 65 1.850 13.918 -1.506 477 H MET 66 H MET 66 2.333 5.870 1.205 478 HA MET 66 HA MET 66 0.217 5.378 3.120 479 1HB MET 66 1HB MET 66 0.225 4.145 1.061 480 2HB MET 66 2HB MET 66 1.867 3.581 1.283 481 1HG MET 66 1HG MET 66 1.091 2.133 3.267 482 2HG MET 66 2HG MET 66 -0.582 2.553 2.852 483 1HE MET 66 1HE MET 66 1.376 -0.257 2.875 484 2HE MET 66 2HE MET 66 1.835 -0.791 1.231 485 3HE MET 66 3HE MET 66 2.644 0.625 1.969 486 H MET 67 H MET 67 3.626 5.028 3.616 487 HA MET 67 HA MET 67 3.214 3.521 6.254 488 1HB MET 67 1HB MET 67 4.855 2.370 4.969 489 2HB MET 67 2HB MET 67 5.538 3.844 4.311 490 1HG MET 67 1HG MET 67 7.057 4.117 6.016 491 2HG MET 67 2HG MET 67 5.895 3.691 7.287 492 1HE MET 67 1HE MET 67 7.153 2.409 4.060 493 2HE MET 67 2HE MET 67 8.439 1.244 4.498 494 3HE MET 67 3HE MET 67 6.764 0.668 4.219 495 H GLU 68 H GLU 68 4.539 6.524 4.928 496 HA GLU 68 HA GLU 68 4.496 7.768 7.658 497 1HB GLU 68 1HB GLU 68 6.907 6.814 6.965 498 2HB GLU 68 2HB GLU 68 7.051 8.339 6.145 499 1HG GLU 68 1HG GLU 68 7.907 8.022 8.695 500 2HG GLU 68 2HG GLU 68 7.276 9.568 8.158 501 H GLY 69 H GLY 69 2.805 8.082 5.445 502 1HA GLY 69 1HA GLY 69 2.490 10.487 4.002 503 2HA GLY 69 2HA GLY 69 1.314 9.985 5.222 504 H VAL 70 H VAL 70 3.991 12.221 4.606 505 HA VAL 70 HA VAL 70 3.189 13.911 6.946 506 HB VAL 70 HB VAL 70 4.857 14.637 4.475 507 1HG1 VAL 70 1HG1 VAL 70 4.498 16.200 7.133 508 2HG1 VAL 70 2HG1 VAL 70 5.697 16.589 5.872 509 3HG1 VAL 70 3HG1 VAL 70 3.974 16.736 5.518 510 1HG2 VAL 70 1HG2 VAL 70 5.977 12.881 5.908 511 2HG2 VAL 70 2HG2 VAL 70 6.853 14.402 5.975 512 3HG2 VAL 70 3HG2 VAL 70 5.813 13.912 7.346 513 H GLN 71 H GLN 71 1.076 14.540 6.954 514 HA GLN 71 HA GLN 71 -0.780 15.350 5.150 515 1HB GLN 71 1HB GLN 71 0.038 16.546 7.786 516 2HB GLN 71 2HB GLN 71 -1.071 17.515 6.819 517 1HG GLN 71 1HG GLN 71 -2.729 15.670 6.755 518 2HG GLN 71 2HG GLN 71 -1.605 14.513 7.441 519 1HE2 GLN 71 1HE2 GLN 71 -3.325 15.187 10.461 520 2HE2 GLN 71 2HE2 GLN 71 -2.907 13.993 9.113 521 1HN NH2 72 1HN NH2 72 -1.292 16.947 3.585 522 2HN NH2 72 2HN NH2 72 -0.090 18.115 2.974 No H/Q in entry = 522 Start of MODEL 10 1 1H ACE 1 1HH3 ACE 1 19.647 11.130 5.783 2 2H ACE 1 2HH3 ACE 1 19.611 9.494 6.533 3 3H ACE 1 3HH3 ACE 1 21.109 10.119 5.785 4 H LYS 2 H LYS 2 17.721 9.220 4.865 5 HA LYS 2 HA LYS 2 16.691 9.330 2.677 6 1HB LYS 2 1HB LYS 2 17.779 11.175 1.810 7 2HB LYS 2 2HB LYS 2 19.400 10.546 2.011 8 1HG LYS 2 1HG LYS 2 19.238 9.266 -0.097 9 2HG LYS 2 2HG LYS 2 17.494 9.241 -0.045 10 1HD LYS 2 1HD LYS 2 18.605 10.802 -1.811 11 2HD LYS 2 2HD LYS 2 17.285 11.505 -0.873 12 1HE LYS 2 1HE LYS 2 18.893 12.575 0.719 13 2HE LYS 2 2HE LYS 2 20.288 11.875 -0.122 14 1HZ LYS 2 1HZ LYS 2 18.370 13.458 -1.834 15 2HZ LYS 2 2HZ LYS 2 19.469 14.305 -0.919 16 3HZ LYS 2 3HZ LYS 2 19.904 13.221 -2.038 17 H SER 3 H SER 3 16.402 7.053 3.052 18 HA SER 3 HA SER 3 18.032 5.346 1.102 19 1HB SER 3 1HB SER 3 17.571 4.947 3.747 20 2HB SER 3 2HB SER 3 16.156 4.113 3.151 21 HG SER 3 HG SER 3 17.561 2.547 3.012 22 H GLU 4 H GLU 4 17.178 4.433 -0.622 23 HA GLU 4 HA GLU 4 14.152 4.153 -0.869 24 1HB GLU 4 1HB GLU 4 15.971 5.045 -3.089 25 2HB GLU 4 2HB GLU 4 14.628 3.981 -3.431 26 1HG GLU 4 1HG GLU 4 13.548 6.023 -3.837 27 2HG GLU 4 2HG GLU 4 13.213 5.954 -2.111 28 H GLU 5 H GLU 5 17.289 2.625 -1.560 29 HA GLU 5 HA GLU 5 16.844 0.054 -2.184 30 1HB GLU 5 1HB GLU 5 18.994 0.473 -1.503 31 2HB GLU 5 2HB GLU 5 18.549 1.150 0.034 32 1HG GLU 5 1HG GLU 5 18.514 -0.969 1.130 33 2HG GLU 5 2HG GLU 5 18.059 -1.855 -0.313 34 H GLU 6 H GLU 6 16.076 0.911 1.210 35 HA GLU 6 HA GLU 6 15.041 -1.738 1.883 36 1HB GLU 6 1HB GLU 6 15.950 0.352 3.335 37 2HB GLU 6 2HB GLU 6 14.251 0.618 3.587 38 1HG GLU 6 1HG GLU 6 13.990 -1.330 4.939 39 2HG GLU 6 2HG GLU 6 15.270 -2.220 4.135 40 H LEU 7 H LEU 7 13.251 1.195 0.971 41 HA LEU 7 HA LEU 7 10.500 0.115 1.571 42 1HB LEU 7 1HB LEU 7 11.419 2.529 -0.086 43 2HB LEU 7 2HB LEU 7 9.744 2.136 0.216 44 HG LEU 7 HG LEU 7 11.475 3.765 1.810 45 1HD1 LEU 7 1HD1 LEU 7 9.059 4.166 1.371 46 2HD1 LEU 7 2HD1 LEU 7 8.601 2.753 2.355 47 3HD1 LEU 7 3HD1 LEU 7 9.375 4.169 3.112 48 1HD2 LEU 7 1HD2 LEU 7 10.582 1.228 3.372 49 2HD2 LEU 7 2HD2 LEU 7 12.256 1.789 3.114 50 3HD2 LEU 7 3HD2 LEU 7 11.160 2.742 4.117 51 H ALA 8 H ALA 8 12.454 0.511 -1.412 52 HA ALA 8 HA ALA 8 10.696 -0.889 -3.218 53 1HB ALA 8 1HB ALA 8 13.775 -0.573 -3.263 54 2HB ALA 8 2HB ALA 8 12.777 -1.059 -4.648 55 3HB ALA 8 3HB ALA 8 12.574 0.549 -3.944 56 H ASN 9 H ASN 9 13.678 -2.429 -1.836 57 HA ASN 9 HA ASN 9 13.235 -5.162 -2.008 58 1HB ASN 9 1HB ASN 9 13.903 -3.710 0.648 59 2HB ASN 9 2HB ASN 9 14.191 -5.399 0.333 60 1HD2 ASN 9 1HD2 ASN 9 16.805 -4.271 -2.174 61 2HD2 ASN 9 2HD2 ASN 9 15.198 -5.101 -2.377 62 H ALA 10 H ALA 10 11.460 -3.198 0.398 63 HA ALA 10 HA ALA 10 9.676 -5.391 1.340 64 1HB ALA 10 1HB ALA 10 10.366 -3.433 2.735 65 2HB ALA 10 2HB ALA 10 9.462 -2.319 1.676 66 3HB ALA 10 3HB ALA 10 8.598 -3.544 2.631 67 H PHE 11 H PHE 11 9.153 -2.672 -0.924 68 HA PHE 11 HA PHE 11 6.350 -3.151 -1.501 69 1HB PHE 11 1HB PHE 11 7.550 -1.019 -1.939 70 2HB PHE 11 2HB PHE 11 8.508 -1.762 -3.175 71 HD1 PHE 11 HD1 PHE 11 4.879 -0.920 -2.436 72 HD2 PHE 11 HD2 PHE 11 7.841 -1.723 -5.452 73 HE1 PHE 11 HE1 PHE 11 3.330 -0.139 -4.184 74 HE2 PHE 11 HE2 PHE 11 6.264 -0.977 -7.186 75 HZ PHE 11 HZ PHE 11 4.040 -0.128 -6.556 76 H ARG 12 H ARG 12 9.192 -4.391 -3.301 77 HA ARG 12 HA ARG 12 7.594 -6.140 -5.036 78 1HB ARG 12 1HB ARG 12 9.722 -7.149 -5.733 79 2HB ARG 12 2HB ARG 12 9.839 -5.394 -5.700 80 1HG ARG 12 1HG ARG 12 11.860 -5.907 -4.649 81 2HG ARG 12 2HG ARG 12 10.845 -5.816 -3.204 82 1HD ARG 12 1HD ARG 12 11.611 -7.927 -2.708 83 2HD ARG 12 2HD ARG 12 10.481 -8.506 -3.963 84 HE ARG 12 HE ARG 12 12.404 -8.275 -5.670 85 1HH1 ARG 12 2HH1 ARG 12 13.278 -8.415 -2.320 86 2HH1 ARG 12 1HH1 ARG 12 14.948 -9.060 -2.698 87 1HH2 ARG 12 1HH2 ARG 12 14.276 -8.984 -6.073 88 2HH2 ARG 12 2HH2 ARG 12 15.476 -9.350 -4.750 89 H ILE 13 H ILE 13 8.991 -6.687 -1.829 90 HA ILE 13 HA ILE 13 8.939 -9.674 -1.914 91 HB ILE 13 HB ILE 13 9.436 -7.643 0.306 92 1HG1 ILE 13 1HG1 ILE 13 11.297 -8.438 -1.437 93 2HG1 ILE 13 2HG1 ILE 13 11.691 -8.229 0.248 94 1HG2 ILE 13 1HG2 ILE 13 8.183 -9.526 1.430 95 2HG2 ILE 13 2HG2 ILE 13 9.298 -10.721 0.726 96 3HG2 ILE 13 3HG2 ILE 13 9.863 -9.550 1.935 97 1HD1 ILE 13 1HD1 ILE 13 11.483 -10.694 0.707 98 2HD1 ILE 13 2HD1 ILE 13 11.142 -10.980 -1.018 99 3HD1 ILE 13 3HD1 ILE 13 12.712 -10.319 -0.522 100 H PHE 14 H PHE 14 6.749 -7.148 -0.815 101 HA PHE 14 HA PHE 14 4.644 -8.816 0.510 102 1HB PHE 14 1HB PHE 14 4.668 -6.034 -0.811 103 2HB PHE 14 2HB PHE 14 3.173 -6.766 -0.328 104 HD1 PHE 14 HD1 PHE 14 4.031 -8.094 2.321 105 HD2 PHE 14 HD2 PHE 14 4.851 -4.202 0.701 106 HE1 PHE 14 HE1 PHE 14 4.255 -7.190 4.601 107 HE2 PHE 14 HE2 PHE 14 5.096 -3.308 2.983 108 HZ PHE 14 HZ PHE 14 4.789 -4.802 4.941 109 H ASP 15 H ASP 15 5.082 -7.541 -2.801 110 HA ASP 15 HA ASP 15 2.592 -8.740 -3.809 111 1HB ASP 15 1HB ASP 15 3.531 -6.515 -4.497 112 2HB ASP 15 2HB ASP 15 4.881 -7.302 -5.299 113 H LYS 16 H LYS 16 2.523 -10.022 -5.957 114 HA LYS 16 HA LYS 16 4.344 -12.409 -5.693 115 1HB LYS 16 1HB LYS 16 1.294 -12.699 -5.356 116 2HB LYS 16 2HB LYS 16 2.384 -14.041 -5.567 117 1HG LYS 16 1HG LYS 16 3.405 -13.614 -3.326 118 2HG LYS 16 2HG LYS 16 2.611 -12.049 -3.210 119 1HD LYS 16 1HD LYS 16 1.336 -14.835 -2.978 120 2HD LYS 16 2HD LYS 16 1.400 -13.541 -1.784 121 1HE LYS 16 1HE LYS 16 -0.122 -12.912 -4.331 122 2HE LYS 16 2HE LYS 16 -0.896 -14.004 -3.164 123 1HZ LYS 16 1HZ LYS 16 0.118 -12.018 -1.483 124 2HZ LYS 16 2HZ LYS 16 -0.261 -11.130 -2.824 125 3HZ LYS 16 3HZ LYS 16 -1.409 -12.021 -2.091 126 H ASN 17 H ASN 17 3.249 -10.203 -7.704 127 HA ASN 17 HA ASN 17 2.804 -11.717 -10.219 128 1HB ASN 17 1HB ASN 17 0.821 -12.185 -8.443 129 2HB ASN 17 2HB ASN 17 0.178 -10.694 -9.079 130 1HD2 ASN 17 1HD2 ASN 17 0.286 -13.550 -11.945 131 2HD2 ASN 17 2HD2 ASN 17 1.820 -12.860 -11.323 132 H ALA 18 H ALA 18 3.993 -10.042 -11.168 133 HA ALA 18 HA ALA 18 4.671 -7.830 -11.883 134 1HB ALA 18 1HB ALA 18 2.345 -7.705 -12.853 135 2HB ALA 18 2HB ALA 18 1.732 -7.119 -11.290 136 3HB ALA 18 3HB ALA 18 2.874 -6.125 -12.211 137 H ASP 19 H ASP 19 5.762 -8.278 -9.593 138 HA ASP 19 HA ASP 19 5.502 -6.651 -7.346 139 1HB ASP 19 1HB ASP 19 7.871 -6.810 -7.057 140 2HB ASP 19 2HB ASP 19 7.447 -8.216 -8.024 141 H GLY 20 H GLY 20 5.825 -5.395 -10.552 142 1HA GLY 20 1HA GLY 20 6.665 -2.621 -10.184 143 2HA GLY 20 2HA GLY 20 5.519 -3.155 -11.420 144 H TYR 21 H TYR 21 3.315 -3.906 -10.046 145 HA TYR 21 HA TYR 21 2.375 -1.325 -8.643 146 1HB TYR 21 1HB TYR 21 0.588 -3.226 -10.282 147 2HB TYR 21 2HB TYR 21 0.138 -1.696 -9.590 148 HD1 TYR 21 HD1 TYR 21 1.493 0.443 -10.442 149 HD2 TYR 21 HD2 TYR 21 1.210 -3.261 -12.610 150 HE1 TYR 21 HE1 TYR 21 2.008 1.622 -12.542 151 HE2 TYR 21 HE2 TYR 21 1.733 -2.052 -14.702 152 HH TYR 21 HH TYR 21 1.426 0.670 -15.398 153 H ILE 22 H ILE 22 1.048 -1.496 -6.823 154 HA ILE 22 HA ILE 22 0.177 -4.276 -5.873 155 HB ILE 22 HB ILE 22 0.369 -1.694 -4.229 156 1HG1 ILE 22 1HG1 ILE 22 2.294 -4.112 -4.296 157 2HG1 ILE 22 2HG1 ILE 22 2.667 -2.474 -4.758 158 1HG2 ILE 22 1HG2 ILE 22 -1.381 -3.281 -3.309 159 2HG2 ILE 22 2HG2 ILE 22 -0.190 -4.596 -3.261 160 3HG2 ILE 22 3HG2 ILE 22 -0.020 -3.170 -2.205 161 1HD1 ILE 22 1HD1 ILE 22 2.293 -1.659 -2.373 162 2HD1 ILE 22 2HD1 ILE 22 2.113 -3.359 -1.868 163 3HD1 ILE 22 3HD1 ILE 22 3.646 -2.801 -2.570 164 H ASP 23 H ASP 23 -1.943 -4.588 -5.090 165 HA ASP 23 HA ASP 23 -4.067 -2.690 -6.213 166 1HB ASP 23 1HB ASP 23 -5.348 -4.853 -6.743 167 2HB ASP 23 2HB ASP 23 -3.872 -4.600 -7.663 168 H ILE 24 H ILE 24 -6.325 -3.233 -5.369 169 HA ILE 24 HA ILE 24 -6.380 -2.615 -2.424 170 HB ILE 24 HB ILE 24 -8.010 -1.724 -4.299 171 1HG1 ILE 24 1HG1 ILE 24 -9.541 -2.487 -1.759 172 2HG1 ILE 24 2HG1 ILE 24 -8.126 -1.483 -1.593 173 1HG2 ILE 24 1HG2 ILE 24 -8.926 -3.960 -5.072 174 2HG2 ILE 24 2HG2 ILE 24 -9.573 -4.271 -3.449 175 3HG2 ILE 24 3HG2 ILE 24 -10.222 -2.950 -4.455 176 1HD1 ILE 24 1HD1 ILE 24 -9.075 0.217 -3.234 177 2HD1 ILE 24 2HD1 ILE 24 -10.601 -0.700 -3.235 178 3HD1 ILE 24 3HD1 ILE 24 -10.012 0.032 -1.728 179 H GLU 25 H GLU 25 -6.704 -5.458 -4.408 180 HA GLU 25 HA GLU 25 -7.890 -7.270 -2.337 181 1HB GLU 25 1HB GLU 25 -7.828 -7.483 -4.989 182 2HB GLU 25 2HB GLU 25 -6.320 -8.302 -4.716 183 1HG GLU 25 1HG GLU 25 -7.375 -10.193 -3.643 184 2HG GLU 25 2HG GLU 25 -8.805 -9.288 -3.184 185 H GLU 26 H GLU 26 -4.651 -6.277 -3.232 186 HA GLU 26 HA GLU 26 -3.261 -8.224 -1.420 187 1HB GLU 26 1HB GLU 26 -2.189 -5.893 -3.066 188 2HB GLU 26 2HB GLU 26 -1.177 -6.856 -2.033 189 1HG GLU 26 1HG GLU 26 -1.909 -8.950 -3.457 190 2HG GLU 26 2HG GLU 26 -2.663 -7.826 -4.572 191 H LEU 27 H LEU 27 -4.445 -4.966 -1.107 192 HA LEU 27 HA LEU 27 -2.821 -3.999 1.080 193 1HB LEU 27 1HB LEU 27 -4.203 -2.564 -0.365 194 2HB LEU 27 2HB LEU 27 -5.682 -3.242 0.264 195 HG LEU 27 HG LEU 27 -4.595 -0.867 1.129 196 1HD1 LEU 27 1HD1 LEU 27 -6.918 -1.686 1.540 197 2HD1 LEU 27 2HD1 LEU 27 -6.346 -2.760 2.848 198 3HD1 LEU 27 3HD1 LEU 27 -6.218 -0.983 2.997 199 1HD2 LEU 27 1HD2 LEU 27 -3.736 -2.934 3.290 200 2HD2 LEU 27 2HD2 LEU 27 -2.636 -1.928 2.299 201 3HD2 LEU 27 3HD2 LEU 27 -3.725 -1.156 3.458 202 H GLY 28 H GLY 28 -6.260 -4.774 1.631 203 1HA GLY 28 1HA GLY 28 -6.453 -5.268 4.415 204 2HA GLY 28 2HA GLY 28 -7.304 -6.278 3.240 205 H GLU 29 H GLU 29 -5.339 -7.820 2.104 206 HA GLU 29 HA GLU 29 -5.281 -9.915 4.242 207 1HB GLU 29 1HB GLU 29 -5.925 -10.289 1.810 208 2HB GLU 29 2HB GLU 29 -4.249 -10.152 1.375 209 1HG GLU 29 1HG GLU 29 -4.090 -12.173 3.329 210 2HG GLU 29 2HG GLU 29 -5.696 -12.467 2.689 211 H ILE 30 H ILE 30 -2.881 -7.866 2.701 212 HA ILE 30 HA ILE 30 -0.484 -8.706 4.262 213 HB ILE 30 HB ILE 30 -1.321 -6.067 2.989 214 1HG1 ILE 30 1HG1 ILE 30 1.200 -7.789 2.487 215 2HG1 ILE 30 2HG1 ILE 30 -0.259 -7.913 1.543 216 1HG2 ILE 30 1HG2 ILE 30 -0.148 -5.415 5.124 217 2HG2 ILE 30 2HG2 ILE 30 1.236 -6.457 4.703 218 3HG2 ILE 30 3HG2 ILE 30 0.847 -5.013 3.728 219 1HD1 ILE 30 1HD1 ILE 30 1.420 -5.318 1.630 220 2HD1 ILE 30 2HD1 ILE 30 1.367 -6.529 0.332 221 3HD1 ILE 30 3HD1 ILE 30 -0.084 -5.579 0.710 222 H LEU 31 H LEU 31 -2.849 -6.059 4.969 223 HA LEU 31 HA LEU 31 -1.558 -5.482 7.619 224 1HB LEU 31 1HB LEU 31 -3.305 -3.800 7.915 225 2HB LEU 31 2HB LEU 31 -2.531 -3.628 6.359 226 HG LEU 31 HG LEU 31 -4.605 -5.019 5.414 227 1HD1 LEU 31 1HD1 LEU 31 -5.730 -3.990 8.107 228 2HD1 LEU 31 2HD1 LEU 31 -6.707 -4.600 6.745 229 3HD1 LEU 31 3HD1 LEU 31 -5.579 -5.685 7.564 230 1HD2 LEU 31 1HD2 LEU 31 -4.871 -2.075 6.361 231 2HD2 LEU 31 2HD2 LEU 31 -4.260 -2.639 4.781 232 3HD2 LEU 31 3HD2 LEU 31 -5.961 -2.873 5.197 233 H ARG 32 H ARG 32 -3.957 -7.762 6.608 234 HA ARG 32 HA ARG 32 -4.831 -8.402 9.395 235 1HB ARG 32 1HB ARG 32 -5.323 -9.217 6.562 236 2HB ARG 32 2HB ARG 32 -5.484 -10.562 7.690 237 1HG ARG 32 1HG ARG 32 -6.932 -8.497 8.986 238 2HG ARG 32 2HG ARG 32 -7.177 -8.107 7.274 239 1HD ARG 32 1HD ARG 32 -7.495 -11.010 7.573 240 2HD ARG 32 2HD ARG 32 -8.460 -10.231 8.847 241 HE ARG 32 HE ARG 32 -8.743 -8.998 6.093 242 1HH1 ARG 32 2HH1 ARG 32 -10.163 -11.143 8.428 243 2HH1 ARG 32 1HH1 ARG 32 -11.810 -11.023 7.647 244 1HH2 ARG 32 1HH2 ARG 32 -10.612 -8.893 5.237 245 2HH2 ARG 32 2HH2 ARG 32 -12.026 -9.816 5.923 246 H ALA 33 H ALA 33 -2.982 -10.401 7.065 247 HA ALA 33 HA ALA 33 -2.101 -12.200 9.295 248 1HB ALA 33 1HB ALA 33 -3.216 -13.072 7.247 249 2HB ALA 33 2HB ALA 33 -1.887 -12.463 6.223 250 3HB ALA 33 3HB ALA 33 -1.590 -13.758 7.403 251 H THR 34 H THR 34 0.026 -12.991 9.685 252 HA THR 34 HA THR 34 2.326 -12.251 7.869 253 HB THR 34 HB THR 34 3.635 -11.600 10.143 254 HG1 THR 34 HG1 THR 34 0.965 -10.705 10.530 255 1HG2 THR 34 2HG2 THR 34 3.342 -10.183 8.004 256 2HG2 THR 34 3HG2 THR 34 1.809 -9.566 8.674 257 3HG2 THR 34 1HG2 THR 34 3.338 -9.207 9.497 258 H GLY 35 H GLY 35 1.578 -13.781 11.071 259 1HA GLY 35 1HA GLY 35 1.392 -16.515 10.401 260 2HA GLY 35 2HA GLY 35 3.135 -16.248 10.274 261 1HN NH2 36 1HN NH2 36 0.388 -15.843 12.665 262 2HN NH2 36 2HN NH2 36 1.388 -16.160 14.108 263 1H ACE 37 1HH3 ACE 37 -11.706 -7.192 14.579 264 2H ACE 37 2HH3 ACE 37 -13.112 -7.608 13.539 265 3H ACE 37 3HH3 ACE 37 -11.702 -8.696 13.620 266 H VAL 38 H VAL 38 -12.169 -5.148 12.920 267 HA VAL 38 HA VAL 38 -11.902 -3.981 10.827 268 HB VAL 38 HB VAL 38 -9.783 -6.016 10.025 269 1HG1 VAL 38 1HG1 VAL 38 -10.009 -2.938 9.669 270 2HG1 VAL 38 2HG1 VAL 38 -8.596 -3.900 9.177 271 3HG1 VAL 38 3HG1 VAL 38 -10.159 -4.164 8.398 272 1HG2 VAL 38 1HG2 VAL 38 -9.278 -5.500 12.453 273 2HG2 VAL 38 2HG2 VAL 38 -8.070 -4.751 11.387 274 3HG2 VAL 38 3HG2 VAL 38 -9.362 -3.758 12.105 275 H THR 39 H THR 39 -13.174 -4.010 9.104 276 HA THR 39 HA THR 39 -14.027 -6.659 7.828 277 HB THR 39 HB THR 39 -16.107 -4.486 7.786 278 HG1 THR 39 HG1 THR 39 -15.534 -6.059 10.083 279 1HG2 THR 39 2HG2 THR 39 -16.186 -7.546 8.275 280 2HG2 THR 39 3HG2 THR 39 -17.612 -6.498 8.080 281 3HG2 THR 39 1HG2 THR 39 -16.490 -6.729 6.723 282 H GLU 40 H GLU 40 -15.562 -5.515 5.786 283 HA GLU 40 HA GLU 40 -13.477 -4.641 3.828 284 1HB GLU 40 1HB GLU 40 -15.297 -6.173 3.193 285 2HB GLU 40 2HB GLU 40 -16.500 -4.958 3.497 286 1HG GLU 40 1HG GLU 40 -14.765 -3.713 1.565 287 2HG GLU 40 2HG GLU 40 -14.842 -5.388 1.051 288 H GLU 41 H GLU 41 -16.218 -2.976 5.405 289 HA GLU 41 HA GLU 41 -15.763 -0.375 4.288 290 1HB GLU 41 1HB GLU 41 -17.022 0.471 6.389 291 2HB GLU 41 2HB GLU 41 -17.830 -0.520 5.213 292 1HG GLU 41 1HG GLU 41 -18.169 -2.304 6.727 293 2HG GLU 41 2HG GLU 41 -16.652 -2.051 7.571 294 H ASP 42 H ASP 42 -14.089 -1.808 7.010 295 HA ASP 42 HA ASP 42 -12.527 0.572 7.881 296 1HB ASP 42 1HB ASP 42 -12.219 -2.461 8.238 297 2HB ASP 42 2HB ASP 42 -10.951 -1.369 8.775 298 H ILE 43 H ILE 43 -12.006 -1.904 5.401 299 HA ILE 43 HA ILE 43 -9.301 -0.990 4.496 300 HB ILE 43 HB ILE 43 -11.420 -2.769 3.221 301 1HG1 ILE 43 1HG1 ILE 43 -8.487 -3.571 3.560 302 2HG1 ILE 43 2HG1 ILE 43 -9.482 -3.511 4.990 303 1HG2 ILE 43 1HG2 ILE 43 -10.462 -1.455 1.289 304 2HG2 ILE 43 2HG2 ILE 43 -8.810 -1.846 1.807 305 3HG2 ILE 43 3HG2 ILE 43 -9.903 -3.119 1.209 306 1HD1 ILE 43 1HD1 ILE 43 -11.156 -5.124 3.989 307 2HD1 ILE 43 2HD1 ILE 43 -10.086 -5.326 2.577 308 3HD1 ILE 43 3HD1 ILE 43 -9.526 -5.803 4.194 309 H GLU 44 H GLU 44 -12.633 -0.350 3.320 310 HA GLU 44 HA GLU 44 -11.725 1.453 1.105 311 1HB GLU 44 1HB GLU 44 -13.661 0.919 0.223 312 2HB GLU 44 2HB GLU 44 -14.062 -0.032 1.621 313 1HG GLU 44 1HG GLU 44 -15.926 1.318 1.811 314 2HG GLU 44 2HG GLU 44 -14.871 2.552 2.472 315 H ASP 45 H ASP 45 -12.818 1.902 4.396 316 HA ASP 45 HA ASP 45 -13.017 4.859 4.499 317 1HB ASP 45 1HB ASP 45 -12.489 2.644 6.551 318 2HB ASP 45 2HB ASP 45 -12.309 4.329 7.019 319 H LEU 46 H LEU 46 -10.258 2.673 5.118 320 HA LEU 46 HA LEU 46 -8.136 4.717 5.452 321 1HB LEU 46 1HB LEU 46 -7.941 2.318 6.086 322 2HB LEU 46 2HB LEU 46 -7.972 1.826 4.409 323 HG LEU 46 HG LEU 46 -5.655 1.889 5.628 324 1HD1 LEU 46 1HD1 LEU 46 -6.235 2.958 2.821 325 2HD1 LEU 46 2HD1 LEU 46 -4.563 2.927 3.451 326 3HD1 LEU 46 3HD1 LEU 46 -5.485 1.421 3.342 327 1HD2 LEU 46 1HD2 LEU 46 -6.066 4.897 5.125 328 2HD2 LEU 46 2HD2 LEU 46 -5.570 4.110 6.652 329 3HD2 LEU 46 3HD2 LEU 46 -4.459 4.178 5.251 330 H MET 47 H MET 47 -8.838 2.845 2.496 331 HA MET 47 HA MET 47 -6.676 4.321 1.080 332 1HB MET 47 1HB MET 47 -6.979 1.831 0.952 333 2HB MET 47 2HB MET 47 -8.494 2.047 0.094 334 1HG MET 47 1HG MET 47 -7.400 2.986 -1.893 335 2HG MET 47 2HG MET 47 -5.854 3.154 -1.042 336 1HE MET 47 1HE MET 47 -6.434 1.777 -3.825 337 2HE MET 47 2HE MET 47 -4.783 1.875 -3.148 338 3HE MET 47 3HE MET 47 -5.399 0.309 -3.751 339 H LYS 48 H LYS 48 -10.171 4.699 1.062 340 HA LYS 48 HA LYS 48 -10.025 6.679 -1.196 341 1HB LYS 48 1HB LYS 48 -12.160 5.793 0.798 342 2HB LYS 48 2HB LYS 48 -12.478 7.162 -0.223 343 1HG LYS 48 1HG LYS 48 -13.446 4.962 -1.114 344 2HG LYS 48 2HG LYS 48 -12.416 5.764 -2.258 345 1HD LYS 48 1HD LYS 48 -10.597 4.260 -2.042 346 2HD LYS 48 2HD LYS 48 -11.077 3.621 -0.505 347 1HE LYS 48 1HE LYS 48 -11.886 1.807 -1.753 348 2HE LYS 48 2HE LYS 48 -13.266 2.831 -2.109 349 1HZ LYS 48 1HZ LYS 48 -11.649 3.763 -4.069 350 2HZ LYS 48 2HZ LYS 48 -11.005 2.242 -3.959 351 3HZ LYS 48 3HZ LYS 48 -12.583 2.502 -4.283 352 H ASP 49 H ASP 49 -9.870 6.758 2.315 353 HA ASP 49 HA ASP 49 -9.913 9.768 2.582 354 1HB ASP 49 1HB ASP 49 -10.660 8.089 4.414 355 2HB ASP 49 2HB ASP 49 -8.961 7.738 4.697 356 H SER 50 H SER 50 -7.480 7.275 2.128 357 HA SER 50 HA SER 50 -5.170 9.141 2.410 358 1HB SER 50 1HB SER 50 -4.906 6.797 3.089 359 2HB SER 50 2HB SER 50 -5.398 6.195 1.509 360 HG SER 50 HG SER 50 -2.971 7.106 2.391 361 H ASP 51 H ASP 51 -6.686 7.492 -0.376 362 HA ASP 51 HA ASP 51 -4.433 7.977 -2.152 363 1HB ASP 51 1HB ASP 51 -6.187 6.043 -2.132 364 2HB ASP 51 2HB ASP 51 -7.244 7.099 -3.060 365 H LYS 52 H LYS 52 -3.983 9.382 -3.747 366 HA LYS 52 HA LYS 52 -5.170 12.143 -3.595 367 1HB LYS 52 1HB LYS 52 -2.939 10.801 -5.183 368 2HB LYS 52 2HB LYS 52 -3.430 12.408 -5.625 369 1HG LYS 52 1HG LYS 52 -1.363 12.204 -4.033 370 2HG LYS 52 2HG LYS 52 -2.571 13.358 -3.566 371 1HD LYS 52 1HD LYS 52 -3.646 11.475 -2.077 372 2HD LYS 52 2HD LYS 52 -2.168 10.587 -2.245 373 1HE LYS 52 1HE LYS 52 -1.603 11.766 -0.276 374 2HE LYS 52 2HE LYS 52 -1.081 13.004 -1.417 375 1HZ LYS 52 1HZ LYS 52 -3.726 13.710 -1.227 376 2HZ LYS 52 2HZ LYS 52 -3.562 12.998 0.232 377 3HZ LYS 52 3HZ LYS 52 -2.644 14.246 -0.094 378 H ASN 53 H ASN 53 -4.434 11.065 -6.789 379 HA ASN 53 HA ASN 53 -6.863 12.276 -7.789 380 1HB ASN 53 1HB ASN 53 -5.973 11.759 -10.042 381 2HB ASN 53 2HB ASN 53 -4.669 12.261 -9.003 382 1HD2 ASN 53 1HD2 ASN 53 -2.947 9.443 -10.266 383 2HD2 ASN 53 2HD2 ASN 53 -3.051 11.256 -10.130 384 H ASN 54 H ASN 54 -6.482 9.037 -6.770 385 HA ASN 54 HA ASN 54 -8.206 7.417 -6.340 386 1HB ASN 54 1HB ASN 54 -9.845 9.935 -7.047 387 2HB ASN 54 2HB ASN 54 -10.650 8.433 -6.686 388 1HD2 ASN 54 1HD2 ASN 54 -10.179 10.513 -3.564 389 2HD2 ASN 54 2HD2 ASN 54 -10.806 10.890 -5.231 390 H ASP 55 H ASP 55 -7.009 6.767 -8.567 391 HA ASP 55 HA ASP 55 -8.992 6.410 -10.862 392 1HB ASP 55 1HB ASP 55 -6.920 7.172 -11.738 393 2HB ASP 55 2HB ASP 55 -5.949 6.205 -10.636 394 H GLY 56 H GLY 56 -6.944 4.441 -8.701 395 1HA GLY 56 1HA GLY 56 -8.756 2.487 -7.894 396 2HA GLY 56 2HA GLY 56 -8.264 1.820 -9.458 397 H ARG 57 H ARG 57 -5.450 2.544 -9.282 398 HA ARG 57 HA ARG 57 -4.631 0.249 -7.419 399 1HB ARG 57 1HB ARG 57 -3.575 0.708 -10.273 400 2HB ARG 57 2HB ARG 57 -3.116 -0.604 -9.188 401 1HG ARG 57 1HG ARG 57 -6.025 -0.139 -10.164 402 2HG ARG 57 2HG ARG 57 -4.879 -1.158 -11.033 403 1HD ARG 57 1HD ARG 57 -4.697 -2.187 -8.389 404 2HD ARG 57 2HD ARG 57 -6.385 -1.687 -8.485 405 HE ARG 57 HE ARG 57 -5.256 -3.947 -10.049 406 1HH1 ARG 57 2HH1 ARG 57 -7.795 -1.593 -10.086 407 2HH1 ARG 57 1HH1 ARG 57 -8.747 -2.565 -11.326 408 1HH2 ARG 57 1HH2 ARG 57 -6.374 -5.035 -11.281 409 2HH2 ARG 57 2HH2 ARG 57 -8.013 -4.487 -11.890 410 H ILE 58 H ILE 58 -2.501 0.225 -6.650 411 HA ILE 58 HA ILE 58 -1.176 2.954 -6.433 412 HB ILE 58 HB ILE 58 -1.151 0.518 -4.586 413 1HG1 ILE 58 1HG1 ILE 58 -2.200 3.402 -4.185 414 2HG1 ILE 58 2HG1 ILE 58 -3.177 1.975 -4.389 415 1HG2 ILE 58 1HG2 ILE 58 1.172 1.527 -4.525 416 2HG2 ILE 58 2HG2 ILE 58 0.487 3.127 -4.179 417 3HG2 ILE 58 3HG2 ILE 58 0.339 1.803 -3.000 418 1HD1 ILE 58 1HD1 ILE 58 -2.313 0.977 -2.223 419 2HD1 ILE 58 2HD1 ILE 58 -1.408 2.484 -1.922 420 3HD1 ILE 58 3HD1 ILE 58 -3.183 2.518 -2.017 421 H ASP 59 H ASP 59 0.743 3.353 -7.393 422 HA ASP 59 HA ASP 59 2.800 1.103 -7.604 423 1HB ASP 59 1HB ASP 59 3.929 2.542 -9.300 424 2HB ASP 59 2HB ASP 59 2.252 2.234 -9.729 425 H PHE 60 H PHE 60 5.166 2.460 -7.624 426 HA PHE 60 HA PHE 60 5.801 2.160 -4.759 427 1HB PHE 60 1HB PHE 60 7.327 1.769 -6.836 428 2HB PHE 60 2HB PHE 60 7.581 3.482 -6.889 429 HD1 PHE 60 HD1 PHE 60 7.347 2.425 -3.418 430 HD2 PHE 60 HD2 PHE 60 10.032 2.624 -6.765 431 HE1 PHE 60 HE1 PHE 60 9.280 2.257 -1.890 432 HE2 PHE 60 HE2 PHE 60 11.949 2.518 -5.236 433 HZ PHE 60 HZ PHE 60 11.586 2.326 -2.796 434 H ASP 61 H ASP 61 5.038 5.007 -6.667 435 HA ASP 61 HA ASP 61 6.001 7.195 -4.912 436 1HB ASP 61 1HB ASP 61 5.276 7.988 -7.032 437 2HB ASP 61 2HB ASP 61 3.978 6.818 -7.169 438 H GLU 62 H GLU 62 2.652 6.553 -5.489 439 HA GLU 62 HA GLU 62 1.229 7.206 -3.100 440 1HB GLU 62 1HB GLU 62 0.648 4.700 -4.737 441 2HB GLU 62 2HB GLU 62 -0.467 5.545 -3.706 442 1HG GLU 62 1HG GLU 62 -1.184 6.710 -5.559 443 2HG GLU 62 2HG GLU 62 0.348 7.563 -5.594 444 H PHE 63 H PHE 63 3.441 4.455 -3.386 445 HA PHE 63 HA PHE 63 2.569 3.004 -0.894 446 1HB PHE 63 1HB PHE 63 3.906 2.019 -2.867 447 2HB PHE 63 2HB PHE 63 5.284 2.926 -2.342 448 HD1 PHE 63 HD1 PHE 63 3.169 -0.010 -1.321 449 HD2 PHE 63 HD2 PHE 63 6.737 2.276 -0.575 450 HE1 PHE 63 HE1 PHE 63 4.044 -1.807 0.110 451 HE2 PHE 63 HE2 PHE 63 7.576 0.493 0.856 452 HZ PHE 63 HZ PHE 63 6.247 -1.559 1.210 453 H LEU 64 H LEU 64 5.388 5.077 -1.626 454 HA LEU 64 HA LEU 64 6.350 5.663 1.010 455 1HB LEU 64 1HB LEU 64 6.321 7.402 -1.506 456 2HB LEU 64 2HB LEU 64 7.128 7.928 -0.050 457 HG LEU 64 HG LEU 64 7.860 5.213 -1.259 458 1HD1 LEU 64 1HD1 LEU 64 8.858 7.970 -2.258 459 2HD1 LEU 64 2HD1 LEU 64 9.627 6.407 -2.644 460 3HD1 LEU 64 3HD1 LEU 64 7.972 6.720 -3.174 461 1HD2 LEU 64 1HD2 LEU 64 9.474 7.321 0.359 462 2HD2 LEU 64 2HD2 LEU 64 8.927 5.718 0.931 463 3HD2 LEU 64 3HD2 LEU 64 10.158 5.829 -0.334 464 H LYS 65 H LYS 65 3.652 7.286 -0.633 465 HA LYS 65 HA LYS 65 3.100 9.194 1.603 466 1HB LYS 65 1HB LYS 65 1.763 8.332 -1.017 467 2HB LYS 65 2HB LYS 65 1.027 9.564 -0.010 468 1HG LYS 65 1HG LYS 65 3.493 10.734 -0.328 469 2HG LYS 65 2HG LYS 65 3.567 9.633 -1.717 470 1HD LYS 65 1HD LYS 65 1.738 10.576 -2.824 471 2HD LYS 65 2HD LYS 65 0.959 11.186 -1.360 472 1HE LYS 65 1HE LYS 65 2.121 12.812 -3.225 473 2HE LYS 65 2HE LYS 65 2.112 13.236 -1.503 474 1HZ LYS 65 1HZ LYS 65 4.413 11.531 -2.498 475 2HZ LYS 65 2HZ LYS 65 4.444 13.134 -2.790 476 3HZ LYS 65 3HZ LYS 65 4.408 12.626 -1.265 477 H MET 66 H MET 66 1.296 6.288 0.406 478 HA MET 66 HA MET 66 -0.502 5.756 2.449 479 1HB MET 66 1HB MET 66 0.027 4.307 0.417 480 2HB MET 66 2HB MET 66 1.395 3.635 1.278 481 1HG MET 66 1HG MET 66 0.133 2.176 2.525 482 2HG MET 66 2HG MET 66 -1.141 3.364 2.862 483 1HE MET 66 1HE MET 66 -0.033 0.313 0.956 484 2HE MET 66 2HE MET 66 -0.804 0.415 -0.655 485 3HE MET 66 3HE MET 66 0.544 1.517 -0.238 486 H MET 67 H MET 67 2.986 5.235 2.831 487 HA MET 67 HA MET 67 2.596 4.165 5.681 488 1HB MET 67 1HB MET 67 4.263 2.646 5.261 489 2HB MET 67 2HB MET 67 3.874 2.965 3.582 490 1HG MET 67 1HG MET 67 5.737 4.650 3.399 491 2HG MET 67 2HG MET 67 6.173 4.369 5.096 492 1HE MET 67 1HE MET 67 6.227 2.021 6.039 493 2HE MET 67 2HE MET 67 5.565 0.737 4.982 494 3HE MET 67 3HE MET 67 7.322 0.789 5.338 495 H GLU 68 H GLU 68 4.138 6.775 3.879 496 HA GLU 68 HA GLU 68 4.427 8.202 6.543 497 1HB GLU 68 1HB GLU 68 6.647 8.937 4.785 498 2HB GLU 68 2HB GLU 68 6.635 8.540 6.476 499 1HG GLU 68 1HG GLU 68 7.001 6.157 6.049 500 2HG GLU 68 2HG GLU 68 6.519 6.281 4.367 501 H GLY 69 H GLY 69 2.293 8.621 4.970 502 1HA GLY 69 1HA GLY 69 2.545 11.435 3.778 503 2HA GLY 69 2HA GLY 69 1.044 10.507 3.879 504 H VAL 70 H VAL 70 -0.355 11.617 5.154 505 HA VAL 70 HA VAL 70 0.792 13.801 6.960 506 HB VAL 70 HB VAL 70 -0.856 14.436 5.161 507 1HG1 VAL 70 1HG1 VAL 70 -2.930 12.928 6.909 508 2HG1 VAL 70 2HG1 VAL 70 -3.333 14.043 5.579 509 3HG1 VAL 70 3HG1 VAL 70 -2.484 12.535 5.231 510 1HG2 VAL 70 1HG2 VAL 70 -0.555 15.926 7.182 511 2HG2 VAL 70 2HG2 VAL 70 -2.203 16.007 6.578 512 3HG2 VAL 70 3HG2 VAL 70 -1.839 15.055 8.048 513 H GLN 71 H GLN 71 1.396 12.435 8.751 514 HA GLN 71 HA GLN 71 0.002 10.921 10.531 515 1HB GLN 71 1HB GLN 71 0.926 12.546 12.424 516 2HB GLN 71 2HB GLN 71 2.006 11.594 11.408 517 1HG GLN 71 1HG GLN 71 2.752 13.502 10.184 518 2HG GLN 71 2HG GLN 71 1.283 14.425 10.439 519 1HE2 GLN 71 1HE2 GLN 71 2.496 15.749 13.575 520 2HE2 GLN 71 2HE2 GLN 71 0.958 15.178 12.723 521 1HN NH2 72 1HN NH2 72 -1.032 14.310 9.766 522 2HN NH2 72 2HN NH2 72 -2.534 14.272 10.727 No H/Q in entry = 522 Start of MODEL 11 1 1H ACE 1 1HH3 ACE 1 19.645 12.745 2.193 2 2H ACE 1 2HH3 ACE 1 19.800 13.185 0.455 3 3H ACE 1 3HH3 ACE 1 18.379 13.710 1.402 4 H LYS 2 H LYS 2 20.060 10.678 0.542 5 HA LYS 2 HA LYS 2 17.540 9.659 -0.698 6 1HB LYS 2 1HB LYS 2 19.200 7.676 -1.324 7 2HB LYS 2 2HB LYS 2 19.228 9.186 -2.207 8 1HG LYS 2 1HG LYS 2 21.351 9.855 -1.127 9 2HG LYS 2 2HG LYS 2 21.090 8.791 0.231 10 1HD LYS 2 1HD LYS 2 21.705 6.802 -1.046 11 2HD LYS 2 2HD LYS 2 21.516 7.619 -2.599 12 1HE LYS 2 1HE LYS 2 23.525 8.793 -0.613 13 2HE LYS 2 2HE LYS 2 24.000 7.310 -1.463 14 1HZ LYS 2 1HZ LYS 2 23.117 8.781 -3.615 15 2HZ LYS 2 2HZ LYS 2 23.375 10.016 -2.603 16 3HZ LYS 2 3HZ LYS 2 24.614 9.140 -2.989 17 H SER 3 H SER 3 16.116 8.494 0.314 18 HA SER 3 HA SER 3 16.981 6.104 1.979 19 1HB SER 3 1HB SER 3 14.579 7.726 2.924 20 2HB SER 3 2HB SER 3 15.470 6.512 3.810 21 HG SER 3 HG SER 3 16.307 9.144 3.063 22 H GLU 4 H GLU 4 16.342 4.412 0.740 23 HA GLU 4 HA GLU 4 13.710 4.177 -0.520 24 1HB GLU 4 1HB GLU 4 14.039 4.460 -2.831 25 2HB GLU 4 2HB GLU 4 14.426 5.917 -1.948 26 1HG GLU 4 1HG GLU 4 16.829 5.727 -2.497 27 2HG GLU 4 2HG GLU 4 16.653 4.068 -3.054 28 H GLU 5 H GLU 5 17.053 3.065 -0.559 29 HA GLU 5 HA GLU 5 16.806 0.634 -1.921 30 1HB GLU 5 1HB GLU 5 18.972 1.047 -1.558 31 2HB GLU 5 2HB GLU 5 18.737 1.737 0.019 32 1HG GLU 5 1HG GLU 5 18.340 -1.003 0.585 33 2HG GLU 5 2HG GLU 5 19.499 -1.092 -0.729 34 H GLU 6 H GLU 6 16.209 0.900 1.583 35 HA GLU 6 HA GLU 6 15.714 -2.027 1.828 36 1HB GLU 6 1HB GLU 6 15.273 -0.176 4.161 37 2HB GLU 6 2HB GLU 6 15.894 -1.799 4.139 38 1HG GLU 6 1HG GLU 6 17.987 -0.552 2.808 39 2HG GLU 6 2HG GLU 6 17.392 0.825 3.717 40 H LEU 7 H LEU 7 13.605 0.811 2.303 41 HA LEU 7 HA LEU 7 10.998 -0.631 2.426 42 1HB LEU 7 1HB LEU 7 11.779 2.206 1.578 43 2HB LEU 7 2HB LEU 7 10.129 1.643 1.479 44 HG LEU 7 HG LEU 7 10.899 1.025 4.163 45 1HD1 LEU 7 1HD1 LEU 7 12.915 2.460 3.903 46 2HD1 LEU 7 2HD1 LEU 7 11.918 3.837 3.366 47 3HD1 LEU 7 3HD1 LEU 7 11.770 3.208 5.027 48 1HD2 LEU 7 1HD2 LEU 7 9.268 3.433 3.063 49 2HD2 LEU 7 2HD2 LEU 7 8.626 1.838 3.543 50 3HD2 LEU 7 3HD2 LEU 7 9.305 2.912 4.768 51 H ALA 8 H ALA 8 13.253 -0.125 -0.181 52 HA ALA 8 HA ALA 8 11.363 -1.011 -2.296 53 1HB ALA 8 1HB ALA 8 14.445 -0.730 -2.235 54 2HB ALA 8 2HB ALA 8 13.473 -1.006 -3.694 55 3HB ALA 8 3HB ALA 8 13.269 0.491 -2.776 56 H ASN 9 H ASN 9 14.195 -2.797 -0.866 57 HA ASN 9 HA ASN 9 13.376 -5.478 -1.509 58 1HB ASN 9 1HB ASN 9 14.688 -4.476 1.114 59 2HB ASN 9 2HB ASN 9 14.606 -6.148 0.632 60 1HD2 ASN 9 1HD2 ASN 9 17.909 -4.736 -0.410 61 2HD2 ASN 9 2HD2 ASN 9 16.992 -4.839 1.159 62 H ALA 10 H ALA 10 12.072 -3.427 1.064 63 HA ALA 10 HA ALA 10 10.247 -5.452 2.281 64 1HB ALA 10 1HB ALA 10 11.156 -3.462 3.499 65 2HB ALA 10 2HB ALA 10 10.239 -2.358 2.441 66 3HB ALA 10 3HB ALA 10 9.382 -3.469 3.532 67 H PHE 11 H PHE 11 9.680 -2.810 -0.073 68 HA PHE 11 HA PHE 11 6.844 -3.342 -0.531 69 1HB PHE 11 1HB PHE 11 8.004 -1.189 -1.016 70 2HB PHE 11 2HB PHE 11 8.915 -1.923 -2.292 71 HD1 PHE 11 HD1 PHE 11 5.701 -3.383 -2.596 72 HD2 PHE 11 HD2 PHE 11 7.772 0.305 -3.388 73 HE1 PHE 11 HE1 PHE 11 3.970 -2.749 -4.225 74 HE2 PHE 11 HE2 PHE 11 6.017 0.930 -5.001 75 HZ PHE 11 HZ PHE 11 4.142 -0.620 -5.457 76 H ARG 12 H ARG 12 9.530 -4.208 -2.826 77 HA ARG 12 HA ARG 12 8.393 -6.263 -4.325 78 1HB ARG 12 1HB ARG 12 11.111 -5.851 -3.132 79 2HB ARG 12 2HB ARG 12 10.779 -7.521 -3.578 80 1HG ARG 12 1HG ARG 12 11.890 -5.958 -5.369 81 2HG ARG 12 2HG ARG 12 10.573 -7.003 -5.917 82 1HD ARG 12 1HD ARG 12 8.931 -5.085 -5.703 83 2HD ARG 12 2HD ARG 12 10.249 -4.023 -5.135 84 HE ARG 12 HE ARG 12 11.317 -4.146 -7.384 85 1HH1 ARG 12 2HH1 ARG 12 8.301 -5.850 -7.289 86 2HH1 ARG 12 1HH1 ARG 12 8.217 -5.967 -9.113 87 1HH2 ARG 12 1HH2 ARG 12 11.215 -4.303 -9.417 88 2HH2 ARG 12 2HH2 ARG 12 9.812 -5.115 -10.254 89 H ILE 13 H ILE 13 9.347 -6.733 -0.888 90 HA ILE 13 HA ILE 13 8.912 -9.692 -0.945 91 HB ILE 13 HB ILE 13 9.616 -7.718 1.273 92 1HG1 ILE 13 1HG1 ILE 13 11.416 -8.695 -0.416 93 2HG1 ILE 13 2HG1 ILE 13 11.785 -8.599 1.285 94 1HG2 ILE 13 1HG2 ILE 13 8.128 -9.437 2.373 95 2HG2 ILE 13 2HG2 ILE 13 9.108 -10.757 1.691 96 3HG2 ILE 13 3HG2 ILE 13 9.783 -9.657 2.910 97 1HD1 ILE 13 1HD1 ILE 13 11.254 -11.034 1.641 98 2HD1 ILE 13 2HD1 ILE 13 10.929 -11.211 -0.102 99 3HD1 ILE 13 3HD1 ILE 13 12.555 -10.773 0.457 100 H PHE 14 H PHE 14 7.023 -6.881 0.031 101 HA PHE 14 HA PHE 14 4.653 -8.200 1.142 102 1HB PHE 14 1HB PHE 14 5.050 -5.562 -0.396 103 2HB PHE 14 2HB PHE 14 3.460 -6.083 0.055 104 HD1 PHE 14 HD1 PHE 14 6.342 -6.753 2.325 105 HD2 PHE 14 HD2 PHE 14 3.035 -4.141 1.493 106 HE1 PHE 14 HE1 PHE 14 6.618 -5.693 4.532 107 HE2 PHE 14 HE2 PHE 14 3.330 -3.071 3.691 108 HZ PHE 14 HZ PHE 14 5.133 -3.823 5.205 109 H ASP 15 H ASP 15 5.327 -7.240 -2.240 110 HA ASP 15 HA ASP 15 2.695 -8.017 -3.207 111 1HB ASP 15 1HB ASP 15 4.070 -6.157 -4.133 112 2HB ASP 15 2HB ASP 15 5.264 -7.286 -4.755 113 H LYS 16 H LYS 16 1.912 -9.765 -4.454 114 HA LYS 16 HA LYS 16 3.346 -12.282 -3.535 115 1HB LYS 16 1HB LYS 16 0.399 -12.131 -4.388 116 2HB LYS 16 2HB LYS 16 1.185 -13.458 -3.579 117 1HG LYS 16 1HG LYS 16 1.116 -10.745 -2.146 118 2HG LYS 16 2HG LYS 16 -0.418 -11.577 -2.366 119 1HD LYS 16 1HD LYS 16 2.037 -12.907 -1.044 120 2HD LYS 16 2HD LYS 16 0.821 -11.991 -0.155 121 1HE LYS 16 1HE LYS 16 -0.590 -13.985 -1.764 122 2HE LYS 16 2HE LYS 16 0.664 -14.800 -0.807 123 1HZ LYS 16 1HZ LYS 16 -0.945 -12.638 0.550 124 2HZ LYS 16 2HZ LYS 16 -1.691 -14.059 0.278 125 3HZ LYS 16 3HZ LYS 16 -0.356 -14.022 1.234 126 H ASN 17 H ASN 17 2.151 -10.587 -6.347 127 HA ASN 17 HA ASN 17 3.215 -12.787 -8.171 128 1HB ASN 17 1HB ASN 17 1.656 -11.910 -9.896 129 2HB ASN 17 2HB ASN 17 0.845 -12.457 -8.453 130 1HD2 ASN 17 1HD2 ASN 17 -0.824 -9.383 -8.064 131 2HD2 ASN 17 2HD2 ASN 17 -0.719 -11.123 -7.639 132 H ALA 18 H ALA 18 3.322 -9.200 -7.829 133 HA ALA 18 HA ALA 18 5.335 -7.848 -7.964 134 1HB ALA 18 1HB ALA 18 6.508 -9.925 -7.141 135 2HB ALA 18 2HB ALA 18 6.644 -10.505 -8.815 136 3HB ALA 18 3HB ALA 18 7.505 -9.036 -8.325 137 H ASP 19 H ASP 19 3.468 -7.995 -10.242 138 HA ASP 19 HA ASP 19 5.113 -7.094 -12.544 139 1HB ASP 19 1HB ASP 19 3.055 -6.238 -13.446 140 2HB ASP 19 2HB ASP 19 2.615 -7.697 -12.570 141 H GLY 20 H GLY 20 4.476 -5.645 -9.441 142 1HA GLY 20 1HA GLY 20 6.726 -4.029 -9.087 143 2HA GLY 20 2HA GLY 20 5.832 -3.070 -10.275 144 H TYR 21 H TYR 21 3.356 -4.356 -8.559 145 HA TYR 21 HA TYR 21 3.005 -1.543 -7.345 146 1HB TYR 21 1HB TYR 21 0.957 -3.281 -8.866 147 2HB TYR 21 2HB TYR 21 0.522 -1.865 -7.956 148 HD1 TYR 21 HD1 TYR 21 3.502 -2.333 -10.246 149 HD2 TYR 21 HD2 TYR 21 -0.182 -0.233 -9.526 150 HE1 TYR 21 HE1 TYR 21 3.890 -0.949 -12.246 151 HE2 TYR 21 HE2 TYR 21 0.228 1.134 -11.546 152 HH TYR 21 HH TYR 21 3.253 1.092 -13.208 153 H ILE 22 H ILE 22 1.345 -1.359 -5.636 154 HA ILE 22 HA ILE 22 0.465 -3.980 -4.297 155 HB ILE 22 HB ILE 22 0.357 -1.132 -3.163 156 1HG1 ILE 22 1HG1 ILE 22 2.304 -3.439 -2.676 157 2HG1 ILE 22 2HG1 ILE 22 2.637 -1.741 -2.883 158 1HG2 ILE 22 1HG2 ILE 22 -1.592 -2.508 -2.307 159 2HG2 ILE 22 2HG2 ILE 22 -0.482 -3.787 -1.777 160 3HG2 ILE 22 3HG2 ILE 22 -0.462 -2.180 -1.004 161 1HD1 ILE 22 1HD1 ILE 22 1.645 -1.211 -0.598 162 2HD1 ILE 22 2HD1 ILE 22 1.493 -2.963 -0.307 163 3HD1 ILE 22 3HD1 ILE 22 3.097 -2.243 -0.562 164 H ASP 23 H ASP 23 -1.623 -4.594 -4.322 165 HA ASP 23 HA ASP 23 -3.749 -2.720 -5.463 166 1HB ASP 23 1HB ASP 23 -5.041 -4.950 -5.799 167 2HB ASP 23 2HB ASP 23 -3.617 -4.691 -6.796 168 H ILE 24 H ILE 24 -6.002 -3.113 -4.608 169 HA ILE 24 HA ILE 24 -6.114 -2.345 -1.700 170 HB ILE 24 HB ILE 24 -7.757 -1.665 -3.708 171 1HG1 ILE 24 1HG1 ILE 24 -7.800 -1.010 -1.087 172 2HG1 ILE 24 2HG1 ILE 24 -9.097 -0.577 -2.167 173 1HG2 ILE 24 1HG2 ILE 24 -8.679 -3.988 -4.148 174 2HG2 ILE 24 2HG2 ILE 24 -9.278 -4.080 -2.480 175 3HG2 ILE 24 3HG2 ILE 24 -9.963 -2.908 -3.635 176 1HD1 ILE 24 1HD1 ILE 24 -10.439 -2.622 -1.458 177 2HD1 ILE 24 2HD1 ILE 24 -9.211 -2.941 -0.208 178 3HD1 ILE 24 3HD1 ILE 24 -10.150 -1.434 -0.160 179 H GLU 25 H GLU 25 -6.565 -5.287 -3.587 180 HA GLU 25 HA GLU 25 -7.961 -6.812 -1.412 181 1HB GLU 25 1HB GLU 25 -8.784 -7.466 -3.434 182 2HB GLU 25 2HB GLU 25 -7.272 -7.332 -4.280 183 1HG GLU 25 1HG GLU 25 -6.752 -9.558 -2.612 184 2HG GLU 25 2HG GLU 25 -8.475 -9.733 -2.896 185 H GLU 26 H GLU 26 -4.664 -6.568 -2.577 186 HA GLU 26 HA GLU 26 -3.584 -8.644 -0.700 187 1HB GLU 26 1HB GLU 26 -2.243 -6.697 -2.610 188 2HB GLU 26 2HB GLU 26 -1.305 -7.619 -1.476 189 1HG GLU 26 1HG GLU 26 -2.369 -9.787 -2.557 190 2HG GLU 26 2HG GLU 26 -3.000 -8.738 -3.813 191 H LEU 27 H LEU 27 -4.258 -5.264 -0.456 192 HA LEU 27 HA LEU 27 -2.440 -4.446 1.637 193 1HB LEU 27 1HB LEU 27 -3.755 -2.893 0.255 194 2HB LEU 27 2HB LEU 27 -5.257 -3.429 0.963 195 HG LEU 27 HG LEU 27 -3.068 -2.074 2.657 196 1HD1 LEU 27 1HD1 LEU 27 -3.722 -0.543 0.797 197 2HD1 LEU 27 2HD1 LEU 27 -5.448 -0.696 1.230 198 3HD1 LEU 27 3HD1 LEU 27 -4.284 0.062 2.354 199 1HD2 LEU 27 1HD2 LEU 27 -6.122 -2.392 3.156 200 2HD2 LEU 27 2HD2 LEU 27 -4.820 -3.288 3.994 201 3HD2 LEU 27 3HD2 LEU 27 -4.958 -1.539 4.208 202 H GLY 28 H GLY 28 -5.868 -5.301 2.198 203 1HA GLY 28 1HA GLY 28 -5.939 -5.728 5.088 204 2HA GLY 28 2HA GLY 28 -6.911 -6.631 3.920 205 H GLU 29 H GLU 29 -5.004 -8.081 2.536 206 HA GLU 29 HA GLU 29 -4.740 -10.412 4.359 207 1HB GLU 29 1HB GLU 29 -5.291 -10.541 1.914 208 2HB GLU 29 2HB GLU 29 -3.663 -10.083 1.516 209 1HG GLU 29 1HG GLU 29 -3.477 -12.418 1.289 210 2HG GLU 29 2HG GLU 29 -2.990 -12.294 2.969 211 H ILE 30 H ILE 30 -2.405 -8.092 3.062 212 HA ILE 30 HA ILE 30 0.023 -9.017 4.523 213 HB ILE 30 HB ILE 30 -0.828 -6.291 3.447 214 1HG1 ILE 30 1HG1 ILE 30 0.940 -6.499 1.816 215 2HG1 ILE 30 2HG1 ILE 30 1.751 -7.767 2.694 216 1HG2 ILE 30 1HG2 ILE 30 0.477 -5.820 5.551 217 2HG2 ILE 30 2HG2 ILE 30 1.807 -6.861 4.982 218 3HG2 ILE 30 3HG2 ILE 30 1.404 -5.342 4.133 219 1HD1 ILE 30 1HD1 ILE 30 -0.921 -8.248 1.213 220 2HD1 ILE 30 2HD1 ILE 30 0.709 -8.718 0.685 221 3HD1 ILE 30 3HD1 ILE 30 0.010 -9.451 2.143 222 H LEU 31 H LEU 31 -2.312 -6.389 5.457 223 HA LEU 31 HA LEU 31 -0.794 -5.831 7.975 224 1HB LEU 31 1HB LEU 31 -2.585 -4.277 8.533 225 2HB LEU 31 2HB LEU 31 -2.040 -4.020 6.894 226 HG LEU 31 HG LEU 31 -4.136 -5.562 6.222 227 1HD1 LEU 31 1HD1 LEU 31 -4.946 -4.538 9.027 228 2HD1 LEU 31 2HD1 LEU 31 -6.063 -5.220 7.815 229 3HD1 LEU 31 3HD1 LEU 31 -4.783 -6.233 8.490 230 1HD2 LEU 31 1HD2 LEU 31 -4.422 -2.617 7.159 231 2HD2 LEU 31 2HD2 LEU 31 -3.998 -3.180 5.518 232 3HD2 LEU 31 3HD2 LEU 31 -5.615 -3.488 6.160 233 H ARG 32 H ARG 32 -3.628 -7.856 7.237 234 HA ARG 32 HA ARG 32 -3.986 -8.869 9.971 235 1HB ARG 32 1HB ARG 32 -5.360 -8.899 7.638 236 2HB ARG 32 2HB ARG 32 -4.651 -10.505 7.481 237 1HG ARG 32 1HG ARG 32 -5.655 -11.054 9.816 238 2HG ARG 32 2HG ARG 32 -6.399 -9.444 9.804 239 1HD ARG 32 1HD ARG 32 -8.207 -10.471 8.781 240 2HD ARG 32 2HD ARG 32 -7.228 -10.391 7.299 241 HE ARG 32 HE ARG 32 -7.622 -12.855 9.028 242 1HH1 ARG 32 2HH1 ARG 32 -5.913 -11.488 6.329 243 2HH1 ARG 32 1HH1 ARG 32 -5.466 -13.137 5.682 244 1HH2 ARG 32 1HH2 ARG 32 -7.084 -14.694 8.278 245 2HH2 ARG 32 2HH2 ARG 32 -6.113 -14.850 6.743 246 H ALA 33 H ALA 33 -2.534 -10.662 7.226 247 HA ALA 33 HA ALA 33 -2.132 -13.078 8.484 248 1HB ALA 33 1HB ALA 33 -1.787 -12.662 6.052 249 2HB ALA 33 2HB ALA 33 -0.225 -11.861 6.376 250 3HB ALA 33 3HB ALA 33 -0.434 -13.593 6.716 251 H THR 34 H THR 34 0.882 -11.235 7.990 252 HA THR 34 HA THR 34 2.426 -13.109 9.527 253 HB THR 34 HB THR 34 4.346 -11.455 9.338 254 HG1 THR 34 HG1 THR 34 2.341 -9.750 8.857 255 1HG2 THR 34 2HG2 THR 34 3.690 -13.108 7.468 256 2HG2 THR 34 3HG2 THR 34 2.729 -11.809 6.715 257 3HG2 THR 34 1HG2 THR 34 4.486 -11.636 6.854 258 H GLY 35 H GLY 35 3.566 -12.937 11.505 259 1HA GLY 35 1HA GLY 35 3.066 -10.846 13.529 260 2HA GLY 35 2HA GLY 35 2.070 -12.253 13.919 261 1HN NH2 36 1HN NH2 36 5.259 -10.843 14.175 262 2HN NH2 36 2HN NH2 36 6.029 -12.213 15.019 263 1H ACE 37 1HH3 ACE 37 -16.922 -1.172 12.580 264 2H ACE 37 2HH3 ACE 37 -17.858 -2.189 13.729 265 3H ACE 37 3HH3 ACE 37 -16.696 -0.982 14.339 266 H VAL 38 H VAL 38 -16.871 -4.061 12.502 267 HA VAL 38 HA VAL 38 -13.830 -4.055 12.173 268 HB VAL 38 HB VAL 38 -14.334 -5.370 14.248 269 1HG1 VAL 38 1HG1 VAL 38 -15.823 -7.316 12.338 270 2HG1 VAL 38 2HG1 VAL 38 -15.331 -7.727 13.997 271 3HG1 VAL 38 3HG1 VAL 38 -16.519 -6.450 13.719 272 1HG2 VAL 38 1HG2 VAL 38 -12.267 -5.945 12.902 273 2HG2 VAL 38 2HG2 VAL 38 -12.951 -7.401 13.657 274 3HG2 VAL 38 3HG2 VAL 38 -13.215 -7.087 11.924 275 H THR 39 H THR 39 -14.148 -3.620 9.928 276 HA THR 39 HA THR 39 -15.811 -5.552 8.290 277 HB THR 39 HB THR 39 -16.443 -2.735 7.536 278 HG1 THR 39 HG1 THR 39 -16.670 -2.471 9.730 279 1HG2 THR 39 2HG2 THR 39 -18.161 -5.262 8.055 280 2HG2 THR 39 3HG2 THR 39 -18.751 -3.748 7.323 281 3HG2 THR 39 1HG2 THR 39 -17.536 -4.731 6.477 282 H GLU 40 H GLU 40 -15.265 -5.542 6.094 283 HA GLU 40 HA GLU 40 -12.686 -4.350 5.141 284 1HB GLU 40 1HB GLU 40 -14.855 -5.977 3.773 285 2HB GLU 40 2HB GLU 40 -13.616 -5.201 2.834 286 1HG GLU 40 1HG GLU 40 -13.339 -7.760 3.606 287 2HG GLU 40 2HG GLU 40 -11.924 -6.726 3.527 288 H GLU 41 H GLU 41 -16.072 -3.339 5.001 289 HA GLU 41 HA GLU 41 -15.712 -1.003 3.362 290 1HB GLU 41 1HB GLU 41 -17.719 -1.718 5.509 291 2HB GLU 41 2HB GLU 41 -17.739 -0.110 4.853 292 1HG GLU 41 1HG GLU 41 -17.784 -1.628 2.476 293 2HG GLU 41 2HG GLU 41 -18.632 -2.703 3.573 294 H ASP 42 H ASP 42 -15.053 -1.224 6.870 295 HA ASP 42 HA ASP 42 -13.986 1.435 7.228 296 1HB ASP 42 1HB ASP 42 -13.249 -1.242 8.565 297 2HB ASP 42 2HB ASP 42 -12.607 0.299 9.117 298 H ILE 43 H ILE 43 -12.408 -1.359 5.764 299 HA ILE 43 HA ILE 43 -9.688 -0.120 5.460 300 HB ILE 43 HB ILE 43 -10.972 -2.604 4.236 301 1HG1 ILE 43 1HG1 ILE 43 -9.541 -3.923 5.581 302 2HG1 ILE 43 2HG1 ILE 43 -8.315 -2.691 5.710 303 1HG2 ILE 43 1HG2 ILE 43 -9.499 -1.650 2.421 304 2HG2 ILE 43 2HG2 ILE 43 -8.138 -1.527 3.553 305 3HG2 ILE 43 3HG2 ILE 43 -8.774 -3.117 3.063 306 1HD1 ILE 43 1HD1 ILE 43 -9.731 -1.338 7.312 307 2HD1 ILE 43 2HD1 ILE 43 -10.938 -2.651 7.323 308 3HD1 ILE 43 3HD1 ILE 43 -9.290 -2.951 7.917 309 H GLU 44 H GLU 44 -12.674 -0.173 3.599 310 HA GLU 44 HA GLU 44 -11.524 1.016 1.096 311 1HB GLU 44 1HB GLU 44 -13.335 0.152 0.209 312 2HB GLU 44 2HB GLU 44 -13.948 -0.308 1.768 313 1HG GLU 44 1HG GLU 44 -15.752 1.067 1.384 314 2HG GLU 44 2HG GLU 44 -14.704 2.463 1.552 315 H ASP 45 H ASP 45 -13.055 2.271 3.993 316 HA ASP 45 HA ASP 45 -13.289 5.124 3.076 317 1HB ASP 45 1HB ASP 45 -13.694 3.638 5.719 318 2HB ASP 45 2HB ASP 45 -13.553 5.390 5.740 319 H LEU 46 H LEU 46 -10.990 3.347 5.159 320 HA LEU 46 HA LEU 46 -8.858 5.411 5.283 321 1HB LEU 46 1HB LEU 46 -8.980 3.371 6.710 322 2HB LEU 46 2HB LEU 46 -8.670 2.338 5.333 323 HG LEU 46 HG LEU 46 -6.686 2.811 6.961 324 1HD1 LEU 46 1HD1 LEU 46 -6.624 2.838 3.930 325 2HD1 LEU 46 2HD1 LEU 46 -5.086 3.117 4.799 326 3HD1 LEU 46 3HD1 LEU 46 -6.032 1.627 5.077 327 1HD2 LEU 46 1HD2 LEU 46 -7.180 5.565 6.147 328 2HD2 LEU 46 2HD2 LEU 46 -5.973 4.939 7.272 329 3HD2 LEU 46 3HD2 LEU 46 -5.569 5.086 5.537 330 H MET 47 H MET 47 -9.116 2.712 2.901 331 HA MET 47 HA MET 47 -7.284 3.730 0.958 332 1HB MET 47 1HB MET 47 -8.620 1.505 0.949 333 2HB MET 47 2HB MET 47 -9.939 2.391 0.204 334 1HG MET 47 1HG MET 47 -8.685 1.327 -1.608 335 2HG MET 47 2HG MET 47 -8.409 3.075 -1.725 336 1HE MET 47 1HE MET 47 -6.690 1.102 -3.224 337 2HE MET 47 2HE MET 47 -6.285 2.842 -3.181 338 3HE MET 47 3HE MET 47 -5.007 1.630 -2.875 339 H LYS 48 H LYS 48 -10.387 5.129 1.786 340 HA LYS 48 HA LYS 48 -10.165 7.174 -0.426 341 1HB LYS 48 1HB LYS 48 -12.184 6.372 1.674 342 2HB LYS 48 2HB LYS 48 -12.312 8.010 1.112 343 1HG LYS 48 1HG LYS 48 -13.147 5.455 -0.200 344 2HG LYS 48 2HG LYS 48 -13.711 7.070 -0.490 345 1HD LYS 48 1HD LYS 48 -11.535 7.528 -1.845 346 2HD LYS 48 2HD LYS 48 -11.210 5.826 -1.836 347 1HE LYS 48 1HE LYS 48 -12.464 5.793 -3.819 348 2HE LYS 48 2HE LYS 48 -13.875 5.849 -2.778 349 1HZ LYS 48 1HZ LYS 48 -13.416 8.472 -2.806 350 2HZ LYS 48 2HZ LYS 48 -12.617 8.229 -4.152 351 3HZ LYS 48 3HZ LYS 48 -14.221 7.822 -4.069 352 H ASP 49 H ASP 49 -9.338 6.882 2.943 353 HA ASP 49 HA ASP 49 -9.012 9.830 3.515 354 1HB ASP 49 1HB ASP 49 -9.578 8.214 5.350 355 2HB ASP 49 2HB ASP 49 -8.050 7.376 5.123 356 H SER 50 H SER 50 -6.824 7.142 2.654 357 HA SER 50 HA SER 50 -4.340 8.858 2.887 358 1HB SER 50 1HB SER 50 -3.980 6.623 3.657 359 2HB SER 50 2HB SER 50 -4.881 5.887 2.335 360 HG SER 50 HG SER 50 -3.223 6.405 0.922 361 H ASP 51 H ASP 51 -6.355 7.437 0.323 362 HA ASP 51 HA ASP 51 -4.397 7.634 -1.864 363 1HB ASP 51 1HB ASP 51 -6.577 6.143 -1.564 364 2HB ASP 51 2HB ASP 51 -7.433 7.492 -2.298 365 H LYS 52 H LYS 52 -4.021 9.087 -3.418 366 HA LYS 52 HA LYS 52 -5.136 11.874 -3.560 367 1HB LYS 52 1HB LYS 52 -3.961 12.033 -5.646 368 2HB LYS 52 2HB LYS 52 -2.887 11.324 -4.481 369 1HG LYS 52 1HG LYS 52 -3.992 9.014 -5.755 370 2HG LYS 52 2HG LYS 52 -4.072 10.184 -7.034 371 1HD LYS 52 1HD LYS 52 -1.433 9.811 -5.532 372 2HD LYS 52 2HD LYS 52 -1.835 8.697 -6.796 373 1HE LYS 52 1HE LYS 52 -1.394 10.301 -8.509 374 2HE LYS 52 2HE LYS 52 -2.116 11.622 -7.592 375 1HZ LYS 52 1HZ LYS 52 0.020 11.212 -6.004 376 2HZ LYS 52 2HZ LYS 52 0.711 10.566 -7.275 377 3HZ LYS 52 3HZ LYS 52 0.207 12.143 -7.331 378 H ASN 53 H ASN 53 -5.686 11.549 -6.480 379 HA ASN 53 HA ASN 53 -8.563 11.586 -6.245 380 1HB ASN 53 1HB ASN 53 -8.465 11.772 -8.855 381 2HB ASN 53 2HB ASN 53 -7.614 12.978 -7.931 382 1HD2 ASN 53 1HD2 ASN 53 -5.135 10.243 -9.706 383 2HD2 ASN 53 2HD2 ASN 53 -6.573 9.652 -8.759 384 H ASN 54 H ASN 54 -6.798 8.781 -6.308 385 HA ASN 54 HA ASN 54 -7.271 6.468 -6.745 386 1HB ASN 54 1HB ASN 54 -10.107 7.654 -6.508 387 2HB ASN 54 2HB ASN 54 -9.898 5.980 -6.938 388 1HD2 ASN 54 1HD2 ASN 54 -9.021 5.043 -3.604 389 2HD2 ASN 54 2HD2 ASN 54 -8.970 4.545 -5.354 390 H ASP 55 H ASP 55 -6.145 6.700 -8.759 391 HA ASP 55 HA ASP 55 -7.712 6.327 -11.308 392 1HB ASP 55 1HB ASP 55 -5.422 7.216 -11.441 393 2HB ASP 55 2HB ASP 55 -4.755 5.838 -10.576 394 H GLY 56 H GLY 56 -6.215 4.191 -8.891 395 1HA GLY 56 1HA GLY 56 -8.340 2.297 -8.827 396 2HA GLY 56 2HA GLY 56 -7.223 1.585 -9.998 397 H ARG 57 H ARG 57 -4.794 1.804 -9.046 398 HA ARG 57 HA ARG 57 -4.753 0.664 -6.196 399 1HB ARG 57 1HB ARG 57 -3.240 -1.161 -7.075 400 2HB ARG 57 2HB ARG 57 -4.902 -1.231 -7.660 401 1HG ARG 57 1HG ARG 57 -2.702 0.173 -9.317 402 2HG ARG 57 2HG ARG 57 -2.858 -1.582 -9.358 403 1HD ARG 57 1HD ARG 57 -5.533 -0.792 -9.802 404 2HD ARG 57 2HD ARG 57 -4.646 0.547 -10.530 405 HE ARG 57 HE ARG 57 -3.184 -1.780 -11.416 406 1HH1 ARG 57 2HH1 ARG 57 -6.280 -0.358 -12.045 407 2HH1 ARG 57 1HH1 ARG 57 -6.338 -1.108 -13.725 408 1HH2 ARG 57 1HH2 ARG 57 -3.247 -2.511 -13.264 409 2HH2 ARG 57 2HH2 ARG 57 -4.641 -2.205 -14.412 410 H ILE 58 H ILE 58 -2.276 0.048 -5.695 411 HA ILE 58 HA ILE 58 -1.192 2.861 -5.327 412 HB ILE 58 HB ILE 58 -1.028 0.352 -3.592 413 1HG1 ILE 58 1HG1 ILE 58 -2.273 3.140 -3.105 414 2HG1 ILE 58 2HG1 ILE 58 -3.139 1.650 -3.353 415 1HG2 ILE 58 1HG2 ILE 58 1.230 1.491 -3.433 416 2HG2 ILE 58 2HG2 ILE 58 0.444 3.029 -3.026 417 3HG2 ILE 58 3HG2 ILE 58 0.352 1.644 -1.915 418 1HD1 ILE 58 1HD1 ILE 58 -2.218 0.666 -1.203 419 2HD1 ILE 58 2HD1 ILE 58 -1.431 2.228 -0.857 420 3HD1 ILE 58 3HD1 ILE 58 -3.202 2.132 -0.967 421 H ASP 59 H ASP 59 0.719 3.490 -6.062 422 HA ASP 59 HA ASP 59 2.918 1.443 -6.663 423 1HB ASP 59 1HB ASP 59 3.852 3.048 -8.264 424 2HB ASP 59 2HB ASP 59 2.143 2.818 -8.610 425 H PHE 60 H PHE 60 5.223 2.745 -6.473 426 HA PHE 60 HA PHE 60 5.754 2.232 -3.629 427 1HB PHE 60 1HB PHE 60 7.390 1.943 -5.573 428 2HB PHE 60 2HB PHE 60 7.565 3.664 -5.666 429 HD1 PHE 60 HD1 PHE 60 8.667 4.976 -3.803 430 HD2 PHE 60 HD2 PHE 60 8.689 0.681 -3.848 431 HE1 PHE 60 HE1 PHE 60 10.495 4.970 -2.164 432 HE2 PHE 60 HE2 PHE 60 10.524 0.682 -2.196 433 HZ PHE 60 HZ PHE 60 11.430 2.828 -1.351 434 H ASP 61 H ASP 61 5.023 5.217 -5.304 435 HA ASP 61 HA ASP 61 5.762 7.271 -3.300 436 1HB ASP 61 1HB ASP 61 5.016 8.224 -5.350 437 2HB ASP 61 2HB ASP 61 3.826 6.971 -5.644 438 H GLU 62 H GLU 62 2.491 6.419 -4.042 439 HA GLU 62 HA GLU 62 0.928 6.683 -1.684 440 1HB GLU 62 1HB GLU 62 0.783 4.366 -3.664 441 2HB GLU 62 2HB GLU 62 -0.434 4.707 -2.472 442 1HG GLU 62 1HG GLU 62 -0.454 7.166 -3.731 443 2HG GLU 62 2HG GLU 62 0.179 6.214 -5.061 444 H PHE 63 H PHE 63 3.425 4.200 -2.110 445 HA PHE 63 HA PHE 63 2.651 2.500 0.258 446 1HB PHE 63 1HB PHE 63 4.032 1.754 -1.774 447 2HB PHE 63 2HB PHE 63 5.345 2.732 -1.214 448 HD1 PHE 63 HD1 PHE 63 3.241 -0.151 0.086 449 HD2 PHE 63 HD2 PHE 63 7.015 1.910 0.266 450 HE1 PHE 63 HE1 PHE 63 4.131 -1.896 1.540 451 HE2 PHE 63 HE2 PHE 63 7.902 0.124 1.709 452 HZ PHE 63 HZ PHE 63 6.476 -1.800 2.321 453 H LEU 64 H LEU 64 5.293 4.834 -0.309 454 HA LEU 64 HA LEU 64 6.325 5.039 2.357 455 1HB LEU 64 1HB LEU 64 6.324 7.068 0.069 456 2HB LEU 64 2HB LEU 64 7.148 7.409 1.569 457 HG LEU 64 HG LEU 64 7.788 5.045 -0.300 458 1HD1 LEU 64 1HD1 LEU 64 9.243 7.739 0.165 459 2HD1 LEU 64 2HD1 LEU 64 9.915 6.362 -0.749 460 3HD1 LEU 64 3HD1 LEU 64 8.448 7.158 -1.324 461 1HD2 LEU 64 1HD2 LEU 64 9.228 5.971 2.293 462 2HD2 LEU 64 2HD2 LEU 64 8.416 4.403 2.019 463 3HD2 LEU 64 3HD2 LEU 64 9.889 4.800 1.125 464 H LYS 65 H LYS 65 3.839 7.234 0.964 465 HA LYS 65 HA LYS 65 3.174 8.625 3.456 466 1HB LYS 65 1HB LYS 65 1.928 8.098 0.729 467 2HB LYS 65 2HB LYS 65 0.940 8.922 1.920 468 1HG LYS 65 1HG LYS 65 3.118 10.584 2.017 469 2HG LYS 65 2HG LYS 65 3.468 9.834 0.449 470 1HD LYS 65 1HD LYS 65 1.642 10.730 -0.622 471 2HD LYS 65 2HD LYS 65 0.571 10.633 0.779 472 1HE LYS 65 1HE LYS 65 2.498 12.862 -0.120 473 2HE LYS 65 2HE LYS 65 0.788 12.977 0.336 474 1HZ LYS 65 1HZ LYS 65 1.875 12.042 2.701 475 2HZ LYS 65 2HZ LYS 65 3.120 12.993 2.186 476 3HZ LYS 65 3HZ LYS 65 1.625 13.603 2.406 477 H MET 66 H MET 66 1.702 5.711 1.982 478 HA MET 66 HA MET 66 -0.309 5.219 3.985 479 1HB MET 66 1HB MET 66 -0.376 4.217 1.737 480 2HB MET 66 2HB MET 66 1.096 3.315 2.028 481 1HG MET 66 1HG MET 66 -0.409 2.276 4.101 482 2HG MET 66 2HG MET 66 -1.700 2.633 2.938 483 1HE MET 66 1HE MET 66 0.860 2.568 0.527 484 2HE MET 66 2HE MET 66 0.359 1.057 -0.288 485 3HE MET 66 3HE MET 66 -0.867 2.287 0.144 486 H MET 67 H MET 67 3.079 4.106 4.046 487 HA MET 67 HA MET 67 2.864 2.733 6.681 488 1HB MET 67 1HB MET 67 4.778 2.246 5.193 489 2HB MET 67 2HB MET 67 5.250 3.933 5.153 490 1HG MET 67 1HG MET 67 6.768 2.659 6.656 491 2HG MET 67 2HG MET 67 5.900 3.906 7.572 492 1HE MET 67 1HE MET 67 6.679 0.293 6.887 493 2HE MET 67 2HE MET 67 5.489 -0.682 7.809 494 3HE MET 67 3HE MET 67 5.007 0.108 6.276 495 H GLU 68 H GLU 68 4.103 6.009 5.796 496 HA GLU 68 HA GLU 68 4.781 6.592 8.657 497 1HB GLU 68 1HB GLU 68 5.283 8.011 6.037 498 2HB GLU 68 2HB GLU 68 5.420 8.928 7.507 499 1HG GLU 68 1HG GLU 68 7.114 6.965 8.283 500 2HG GLU 68 2HG GLU 68 7.181 6.580 6.573 501 H GLY 69 H GLY 69 2.632 8.262 6.329 502 1HA GLY 69 1HA GLY 69 0.401 9.243 6.688 503 2HA GLY 69 2HA GLY 69 0.246 7.744 7.613 504 H VAL 70 H VAL 70 1.875 10.884 8.325 505 HA VAL 70 HA VAL 70 1.161 10.357 11.263 506 HB VAL 70 HB VAL 70 3.579 10.170 10.612 507 1HG1 VAL 70 1HG1 VAL 70 3.428 13.234 10.145 508 2HG1 VAL 70 2HG1 VAL 70 4.936 12.293 10.267 509 3HG1 VAL 70 3HG1 VAL 70 3.829 12.002 8.924 510 1HG2 VAL 70 1HG2 VAL 70 2.968 10.720 13.003 511 2HG2 VAL 70 2HG2 VAL 70 4.498 11.459 12.557 512 3HG2 VAL 70 3HG2 VAL 70 3.018 12.459 12.643 513 H GLN 71 H GLN 71 -0.826 11.592 9.903 514 HA GLN 71 HA GLN 71 -0.740 14.534 10.349 515 1HB GLN 71 1HB GLN 71 -2.134 12.822 8.669 516 2HB GLN 71 2HB GLN 71 -3.394 13.248 9.824 517 1HG GLN 71 1HG GLN 71 -1.745 15.126 8.013 518 2HG GLN 71 2HG GLN 71 -3.482 14.892 7.973 519 1HE2 GLN 71 1HE2 GLN 71 -3.965 17.668 10.068 520 2HE2 GLN 71 2HE2 GLN 71 -4.626 16.434 8.859 521 1HN NH2 72 1HN NH2 72 -3.582 14.847 11.298 522 2HN NH2 72 2HN NH2 72 -3.522 14.602 13.064 No H/Q in entry = 522 Start of MODEL 12 1 1H ACE 1 1HH3 ACE 1 22.324 9.827 -1.996 2 2H ACE 1 2HH3 ACE 1 21.702 11.496 -1.735 3 3H ACE 1 3HH3 ACE 1 22.924 10.798 -0.633 4 H LYS 2 H LYS 2 19.577 10.243 -1.761 5 HA LYS 2 HA LYS 2 18.806 9.312 0.998 6 1HB LYS 2 1HB LYS 2 17.360 10.463 -1.376 7 2HB LYS 2 2HB LYS 2 16.392 9.395 -0.383 8 1HG LYS 2 1HG LYS 2 16.397 10.968 1.464 9 2HG LYS 2 2HG LYS 2 17.989 11.569 1.075 10 1HD LYS 2 1HD LYS 2 15.929 12.208 -1.036 11 2HD LYS 2 2HD LYS 2 15.547 12.891 0.546 12 1HE LYS 2 1HE LYS 2 18.445 13.204 -0.131 13 2HE LYS 2 2HE LYS 2 17.412 14.005 -1.328 14 1HZ LYS 2 1HZ LYS 2 16.613 14.475 1.531 15 2HZ LYS 2 2HZ LYS 2 17.950 15.304 0.993 16 3HZ LYS 2 3HZ LYS 2 16.494 15.433 0.299 17 H SER 3 H SER 3 18.622 7.232 1.522 18 HA SER 3 HA SER 3 19.308 5.090 -0.488 19 1HB SER 3 1HB SER 3 19.749 3.725 1.387 20 2HB SER 3 2HB SER 3 20.279 5.311 1.894 21 HG SER 3 HG SER 3 18.599 5.516 3.239 22 H GLU 4 H GLU 4 17.976 2.939 -0.323 23 HA GLU 4 HA GLU 4 15.087 3.225 -0.485 24 1HB GLU 4 1HB GLU 4 16.473 4.001 -3.039 25 2HB GLU 4 2HB GLU 4 14.997 3.067 -3.084 26 1HG GLU 4 1HG GLU 4 13.807 5.041 -2.997 27 2HG GLU 4 2HG GLU 4 14.392 5.323 -1.362 28 H GLU 5 H GLU 5 17.930 1.495 -1.627 29 HA GLU 5 HA GLU 5 17.104 -0.965 -2.423 30 1HB GLU 5 1HB GLU 5 19.391 -0.686 -2.155 31 2HB GLU 5 2HB GLU 5 19.297 -0.273 -0.470 32 1HG GLU 5 1HG GLU 5 18.473 -2.914 -0.273 33 2HG GLU 5 2HG GLU 5 19.394 -3.040 -1.760 34 H GLU 6 H GLU 6 16.574 0.024 0.937 35 HA GLU 6 HA GLU 6 15.714 -2.700 1.860 36 1HB GLU 6 1HB GLU 6 15.422 -0.137 3.457 37 2HB GLU 6 2HB GLU 6 15.443 -1.767 4.057 38 1HG GLU 6 1HG GLU 6 18.011 -1.451 2.759 39 2HG GLU 6 2HG GLU 6 17.731 0.071 3.585 40 H LEU 7 H LEU 7 14.016 0.380 1.262 41 HA LEU 7 HA LEU 7 11.257 -0.736 1.708 42 1HB LEU 7 1HB LEU 7 12.223 1.877 0.422 43 2HB LEU 7 2HB LEU 7 10.535 1.470 0.606 44 HG LEU 7 HG LEU 7 12.135 2.883 2.450 45 1HD1 LEU 7 1HD1 LEU 7 9.683 3.136 2.110 46 2HD1 LEU 7 2HD1 LEU 7 9.371 1.558 2.877 47 3HD1 LEU 7 3HD1 LEU 7 10.044 2.907 3.827 48 1HD2 LEU 7 1HD2 LEU 7 11.497 0.075 3.625 49 2HD2 LEU 7 2HD2 LEU 7 13.112 0.810 3.431 50 3HD2 LEU 7 3HD2 LEU 7 11.967 1.506 4.581 51 H ALA 8 H ALA 8 13.095 0.114 -1.289 52 HA ALA 8 HA ALA 8 11.510 -1.097 -3.266 53 1HB ALA 8 1HB ALA 8 14.590 -1.208 -2.979 54 2HB ALA 8 2HB ALA 8 13.693 -1.494 -4.484 55 3HB ALA 8 3HB ALA 8 13.630 0.097 -3.716 56 H ASN 9 H ASN 9 14.215 -3.125 -1.991 57 HA ASN 9 HA ASN 9 13.386 -5.755 -2.163 58 1HB ASN 9 1HB ASN 9 14.413 -4.302 0.366 59 2HB ASN 9 2HB ASN 9 14.183 -6.028 0.337 60 1HD2 ASN 9 1HD2 ASN 9 17.714 -5.427 -0.563 61 2HD2 ASN 9 2HD2 ASN 9 16.628 -5.206 0.881 62 H ALA 10 H ALA 10 12.066 -3.841 0.597 63 HA ALA 10 HA ALA 10 10.323 -6.058 1.544 64 1HB ALA 10 1HB ALA 10 11.377 -4.343 3.030 65 2HB ALA 10 2HB ALA 10 10.380 -3.056 2.305 66 3HB ALA 10 3HB ALA 10 9.615 -4.362 3.236 67 H PHE 11 H PHE 11 9.595 -3.059 -0.288 68 HA PHE 11 HA PHE 11 6.750 -3.439 -0.643 69 1HB PHE 11 1HB PHE 11 7.964 -1.336 -1.126 70 2HB PHE 11 2HB PHE 11 8.805 -2.066 -2.452 71 HD1 PHE 11 HD1 PHE 11 5.209 -2.956 -2.262 72 HD2 PHE 11 HD2 PHE 11 8.057 -0.168 -3.884 73 HE1 PHE 11 HE1 PHE 11 3.510 -2.117 -3.837 74 HE2 PHE 11 HE2 PHE 11 6.335 0.679 -5.424 75 HZ PHE 11 HZ PHE 11 4.054 -0.251 -5.372 76 H ARG 12 H ARG 12 9.367 -4.628 -2.770 77 HA ARG 12 HA ARG 12 7.724 -6.348 -4.508 78 1HB ARG 12 1HB ARG 12 10.613 -6.892 -3.611 79 2HB ARG 12 2HB ARG 12 9.811 -7.552 -5.031 80 1HG ARG 12 1HG ARG 12 9.987 -5.538 -6.260 81 2HG ARG 12 2HG ARG 12 9.911 -4.504 -4.827 82 1HD ARG 12 1HD ARG 12 12.255 -5.049 -4.206 83 2HD ARG 12 2HD ARG 12 12.353 -6.289 -5.485 84 HE ARG 12 HE ARG 12 11.623 -4.045 -6.995 85 1HH1 ARG 12 2HH1 ARG 12 14.157 -4.460 -4.668 86 2HH1 ARG 12 1HH1 ARG 12 15.217 -3.208 -5.478 87 1HH2 ARG 12 1HH2 ARG 12 12.814 -2.640 -7.876 88 2HH2 ARG 12 2HH2 ARG 12 14.469 -2.231 -7.226 89 H ILE 13 H ILE 13 8.939 -6.800 -1.213 90 HA ILE 13 HA ILE 13 8.713 -9.777 -1.184 91 HB ILE 13 HB ILE 13 9.343 -7.702 0.962 92 1HG1 ILE 13 1HG1 ILE 13 11.191 -8.461 -0.689 93 2HG1 ILE 13 2HG1 ILE 13 11.569 -8.554 1.010 94 1HG2 ILE 13 1HG2 ILE 13 8.022 -9.492 2.158 95 2HG2 ILE 13 2HG2 ILE 13 9.071 -10.757 1.474 96 3HG2 ILE 13 3HG2 ILE 13 9.706 -9.579 2.640 97 1HD1 ILE 13 1HD1 ILE 13 11.136 -11.032 1.074 98 2HD1 ILE 13 2HD1 ILE 13 10.806 -11.014 -0.676 99 3HD1 ILE 13 3HD1 ILE 13 12.418 -10.582 -0.073 100 H PHE 14 H PHE 14 6.659 -7.100 -0.222 101 HA PHE 14 HA PHE 14 4.391 -8.636 1.009 102 1HB PHE 14 1HB PHE 14 4.525 -5.899 -0.422 103 2HB PHE 14 2HB PHE 14 3.055 -6.556 0.218 104 HD1 PHE 14 HD1 PHE 14 6.050 -7.276 2.249 105 HD2 PHE 14 HD2 PHE 14 2.893 -4.443 1.575 106 HE1 PHE 14 HE1 PHE 14 6.470 -6.280 4.462 107 HE2 PHE 14 HE2 PHE 14 3.332 -3.437 3.780 108 HZ PHE 14 HZ PHE 14 5.096 -4.382 5.247 109 H ASP 15 H ASP 15 5.317 -7.640 -2.276 110 HA ASP 15 HA ASP 15 2.713 -8.165 -3.470 111 1HB ASP 15 1HB ASP 15 4.323 -6.426 -4.243 112 2HB ASP 15 2HB ASP 15 5.455 -7.653 -4.789 113 H LYS 16 H LYS 16 2.120 -9.700 -5.226 114 HA LYS 16 HA LYS 16 3.234 -12.432 -4.592 115 1HB LYS 16 1HB LYS 16 0.263 -11.780 -4.096 116 2HB LYS 16 2HB LYS 16 0.948 -13.380 -4.033 117 1HG LYS 16 1HG LYS 16 2.521 -11.907 -2.145 118 2HG LYS 16 2HG LYS 16 0.939 -11.149 -2.020 119 1HD LYS 16 1HD LYS 16 1.271 -13.044 -0.369 120 2HD LYS 16 2HD LYS 16 -0.155 -13.187 -1.393 121 1HE LYS 16 1HE LYS 16 1.719 -14.635 -2.903 122 2HE LYS 16 2HE LYS 16 2.155 -15.076 -1.240 123 1HZ LYS 16 1HZ LYS 16 -0.527 -15.148 -0.994 124 2HZ LYS 16 2HZ LYS 16 -0.514 -15.486 -2.602 125 3HZ LYS 16 3HZ LYS 16 0.258 -16.472 -1.524 126 H ASN 17 H ASN 17 2.936 -10.546 -6.943 127 HA ASN 17 HA ASN 17 2.479 -12.684 -8.991 128 1HB ASN 17 1HB ASN 17 0.482 -11.951 -9.964 129 2HB ASN 17 2HB ASN 17 0.156 -11.865 -8.254 130 1HD2 ASN 17 1HD2 ASN 17 -0.495 -8.635 -10.461 131 2HD2 ASN 17 2HD2 ASN 17 0.353 -10.032 -11.201 132 H ALA 18 H ALA 18 2.676 -9.070 -8.708 133 HA ALA 18 HA ALA 18 4.791 -7.877 -8.961 134 1HB ALA 18 1HB ALA 18 5.904 -10.125 -8.680 135 2HB ALA 18 2HB ALA 18 5.687 -10.444 -10.415 136 3HB ALA 18 3HB ALA 18 6.747 -9.123 -9.893 137 H ASP 19 H ASP 19 2.560 -7.558 -10.743 138 HA ASP 19 HA ASP 19 3.729 -6.476 -13.301 139 1HB ASP 19 1HB ASP 19 1.100 -5.881 -11.800 140 2HB ASP 19 2HB ASP 19 1.537 -5.125 -13.325 141 H GLY 20 H GLY 20 3.465 -5.371 -9.951 142 1HA GLY 20 1HA GLY 20 5.857 -4.007 -9.548 143 2HA GLY 20 2HA GLY 20 5.035 -2.869 -10.627 144 H TYR 21 H TYR 21 2.384 -3.742 -9.151 145 HA TYR 21 HA TYR 21 2.652 -1.390 -7.174 146 1HB TYR 21 1HB TYR 21 -0.085 -1.817 -8.296 147 2HB TYR 21 2HB TYR 21 0.778 -0.344 -7.964 148 HD1 TYR 21 HD1 TYR 21 0.389 -3.039 -10.565 149 HD2 TYR 21 HD2 TYR 21 1.793 0.934 -9.701 150 HE1 TYR 21 HE1 TYR 21 0.733 -2.614 -12.976 151 HE2 TYR 21 HE2 TYR 21 2.132 1.327 -12.109 152 HH TYR 21 HH TYR 21 2.514 0.144 -14.099 153 H ILE 22 H ILE 22 0.966 -1.363 -5.498 154 HA ILE 22 HA ILE 22 -0.017 -4.122 -4.586 155 HB ILE 22 HB ILE 22 -0.131 -1.554 -2.926 156 1HG1 ILE 22 1HG1 ILE 22 2.210 -3.461 -3.272 157 2HG1 ILE 22 2HG1 ILE 22 2.209 -1.745 -2.972 158 1HG2 ILE 22 1HG2 ILE 22 -1.698 -3.392 -2.157 159 2HG2 ILE 22 2HG2 ILE 22 -0.343 -4.532 -2.056 160 3HG2 ILE 22 3HG2 ILE 22 -0.439 -3.128 -0.963 161 1HD1 ILE 22 1HD1 ILE 22 1.513 -2.114 -0.549 162 2HD1 ILE 22 2HD1 ILE 22 1.713 -3.866 -0.805 163 3HD1 ILE 22 3HD1 ILE 22 3.108 -2.781 -0.979 164 H ASP 23 H ASP 23 -2.239 -4.204 -3.729 165 HA ASP 23 HA ASP 23 -4.200 -2.471 -5.309 166 1HB ASP 23 1HB ASP 23 -5.512 -4.548 -5.923 167 2HB ASP 23 2HB ASP 23 -3.918 -4.480 -6.662 168 H ILE 24 H ILE 24 -6.559 -3.327 -4.582 169 HA ILE 24 HA ILE 24 -6.885 -2.355 -1.756 170 HB ILE 24 HB ILE 24 -8.513 -1.978 -3.788 171 1HG1 ILE 24 1HG1 ILE 24 -9.573 -0.863 -2.092 172 2HG1 ILE 24 2HG1 ILE 24 -10.575 -2.280 -1.928 173 1HG2 ILE 24 1HG2 ILE 24 -9.013 -4.408 -4.317 174 2HG2 ILE 24 2HG2 ILE 24 -9.713 -4.631 -2.702 175 3HG2 ILE 24 3HG2 ILE 24 -10.490 -3.560 -3.895 176 1HD1 ILE 24 1HD1 ILE 24 -9.009 -3.247 -0.169 177 2HD1 ILE 24 2HD1 ILE 24 -8.109 -1.711 -0.185 178 3HD1 ILE 24 3HD1 ILE 24 -9.816 -1.730 0.307 179 H GLU 25 H GLU 25 -6.879 -5.479 -3.376 180 HA GLU 25 HA GLU 25 -7.914 -7.057 -1.044 181 1HB GLU 25 1HB GLU 25 -8.051 -7.595 -3.620 182 2HB GLU 25 2HB GLU 25 -6.475 -8.296 -3.417 183 1HG GLU 25 1HG GLU 25 -7.908 -9.575 -1.334 184 2HG GLU 25 2HG GLU 25 -9.159 -9.365 -2.546 185 H GLU 26 H GLU 26 -4.750 -6.129 -2.229 186 HA GLU 26 HA GLU 26 -3.212 -7.866 -0.325 187 1HB GLU 26 1HB GLU 26 -2.279 -5.662 -2.214 188 2HB GLU 26 2HB GLU 26 -1.199 -6.539 -1.174 189 1HG GLU 26 1HG GLU 26 -1.786 -8.715 -2.385 190 2HG GLU 26 2HG GLU 26 -2.899 -7.843 -3.423 191 H LEU 27 H LEU 27 -4.405 -4.579 -0.278 192 HA LEU 27 HA LEU 27 -2.889 -3.287 1.869 193 1HB LEU 27 1HB LEU 27 -4.580 -2.163 0.440 194 2HB LEU 27 2HB LEU 27 -5.870 -3.097 1.151 195 HG LEU 27 HG LEU 27 -4.384 -1.663 3.278 196 1HD1 LEU 27 1HD1 LEU 27 -3.850 -0.055 1.445 197 2HD1 LEU 27 2HD1 LEU 27 -5.582 0.110 1.036 198 3HD1 LEU 27 3HD1 LEU 27 -4.956 0.655 2.619 199 1HD2 LEU 27 1HD2 LEU 27 -7.331 -1.421 2.314 200 2HD2 LEU 27 2HD2 LEU 27 -6.727 -2.530 3.581 201 3HD2 LEU 27 3HD2 LEU 27 -6.659 -0.783 3.840 202 H GLY 28 H GLY 28 -5.845 -5.317 2.222 203 1HA GLY 28 1HA GLY 28 -5.955 -5.043 5.211 204 2HA GLY 28 2HA GLY 28 -6.957 -6.123 4.233 205 H GLU 29 H GLU 29 -4.989 -7.676 2.996 206 HA GLU 29 HA GLU 29 -4.297 -9.655 5.131 207 1HB GLU 29 1HB GLU 29 -3.983 -9.591 2.125 208 2HB GLU 29 2HB GLU 29 -3.036 -10.731 3.032 209 1HG GLU 29 1HG GLU 29 -6.135 -10.611 3.149 210 2HG GLU 29 2HG GLU 29 -5.234 -11.679 2.088 211 H ILE 30 H ILE 30 -2.512 -7.218 3.328 212 HA ILE 30 HA ILE 30 0.211 -7.584 4.431 213 HB ILE 30 HB ILE 30 -1.329 -5.185 3.403 214 1HG1 ILE 30 1HG1 ILE 30 1.515 -6.084 2.613 215 2HG1 ILE 30 2HG1 ILE 30 0.102 -6.812 1.901 216 1HG2 ILE 30 1HG2 ILE 30 -0.140 -4.255 5.423 217 2HG2 ILE 30 2HG2 ILE 30 1.407 -4.926 4.845 218 3HG2 ILE 30 3HG2 ILE 30 0.578 -3.627 3.943 219 1HD1 ILE 30 1HD1 ILE 30 0.708 -3.793 1.619 220 2HD1 ILE 30 2HD1 ILE 30 0.948 -5.063 0.401 221 3HD1 ILE 30 3HD1 ILE 30 -0.693 -4.663 0.943 222 H LEU 31 H LEU 31 -2.388 -5.445 5.653 223 HA LEU 31 HA LEU 31 -0.922 -4.654 8.033 224 1HB LEU 31 1HB LEU 31 -3.136 -3.742 8.889 225 2HB LEU 31 2HB LEU 31 -2.585 -3.129 7.349 226 HG LEU 31 HG LEU 31 -4.193 -4.911 6.246 227 1HD1 LEU 31 1HD1 LEU 31 -5.319 -4.859 9.127 228 2HD1 LEU 31 2HD1 LEU 31 -6.170 -5.503 7.698 229 3HD1 LEU 31 3HD1 LEU 31 -4.670 -6.263 8.236 230 1HD2 LEU 31 1HD2 LEU 31 -5.326 -2.474 7.799 231 2HD2 LEU 31 2HD2 LEU 31 -4.725 -2.485 6.117 232 3HD2 LEU 31 3HD2 LEU 31 -6.200 -3.366 6.526 233 H ARG 32 H ARG 32 -2.875 -7.475 7.569 234 HA ARG 32 HA ARG 32 -3.016 -8.037 10.572 235 1HB ARG 32 1HB ARG 32 -5.010 -7.675 8.937 236 2HB ARG 32 2HB ARG 32 -4.657 -9.268 8.271 237 1HG ARG 32 1HG ARG 32 -5.197 -10.352 10.421 238 2HG ARG 32 2HG ARG 32 -5.119 -8.806 11.287 239 1HD ARG 32 1HD ARG 32 -7.131 -8.994 8.991 240 2HD ARG 32 2HD ARG 32 -7.507 -9.921 10.460 241 HE ARG 32 HE ARG 32 -7.339 -6.905 10.269 242 1HH1 ARG 32 2HH1 ARG 32 -7.570 -9.614 12.431 243 2HH1 ARG 32 1HH1 ARG 32 -8.253 -8.579 13.774 244 1HH2 ARG 32 1HH2 ARG 32 -8.087 -5.768 11.811 245 2HH2 ARG 32 2HH2 ARG 32 -8.505 -6.507 13.424 246 H ALA 33 H ALA 33 -1.548 -9.255 7.655 247 HA ALA 33 HA ALA 33 -0.969 -11.979 8.436 248 1HB ALA 33 1HB ALA 33 -0.845 -11.099 6.110 249 2HB ALA 33 2HB ALA 33 0.576 -10.103 6.526 250 3HB ALA 33 3HB ALA 33 0.683 -11.876 6.557 251 H THR 34 H THR 34 0.767 -9.063 9.342 252 HA THR 34 HA THR 34 3.420 -10.371 9.464 253 HB THR 34 HB THR 34 2.448 -7.518 9.985 254 HG1 THR 34 HG1 THR 34 4.410 -8.592 8.234 255 1HG2 THR 34 2HG2 THR 34 4.364 -8.065 11.626 256 2HG2 THR 34 3HG2 THR 34 5.388 -8.479 10.225 257 3HG2 THR 34 1HG2 THR 34 4.802 -6.818 10.429 258 H GLY 35 H GLY 35 4.000 -11.646 11.056 259 1HA GLY 35 1HA GLY 35 5.015 -10.481 13.438 260 2HA GLY 35 2HA GLY 35 3.539 -11.268 14.009 261 1HN NH2 36 1HN NH2 36 5.335 -12.881 11.371 262 2HN NH2 36 2HN NH2 36 5.991 -14.203 12.375 263 1H ACE 37 1HH3 ACE 37 -14.561 -7.225 13.308 264 2H ACE 37 2HH3 ACE 37 -16.006 -7.600 12.308 265 3H ACE 37 3HH3 ACE 37 -14.842 -8.885 12.719 266 H VAL 38 H VAL 38 -15.161 -5.862 10.817 267 HA VAL 38 HA VAL 38 -13.406 -4.661 9.542 268 HB VAL 38 HB VAL 38 -11.602 -7.113 9.652 269 1HG1 VAL 38 1HG1 VAL 38 -11.030 -4.071 9.385 270 2HG1 VAL 38 2HG1 VAL 38 -9.768 -5.317 9.518 271 3HG1 VAL 38 3HG1 VAL 38 -10.845 -5.298 8.119 272 1HG2 VAL 38 1HG2 VAL 38 -12.128 -6.600 12.076 273 2HG2 VAL 38 2HG2 VAL 38 -10.451 -6.157 11.689 274 3HG2 VAL 38 3HG2 VAL 38 -11.701 -4.895 11.813 275 H THR 39 H THR 39 -14.975 -4.780 7.925 276 HA THR 39 HA THR 39 -14.994 -7.216 6.058 277 HB THR 39 HB THR 39 -17.290 -5.792 5.347 278 HG1 THR 39 HG1 THR 39 -18.259 -6.004 7.631 279 1HG2 THR 39 2HG2 THR 39 -17.032 -8.143 7.352 280 2HG2 THR 39 3HG2 THR 39 -18.514 -7.699 6.470 281 3HG2 THR 39 1HG2 THR 39 -17.095 -8.285 5.579 282 H GLU 40 H GLU 40 -16.130 -6.027 3.843 283 HA GLU 40 HA GLU 40 -13.594 -4.941 2.710 284 1HB GLU 40 1HB GLU 40 -14.646 -6.752 1.566 285 2HB GLU 40 2HB GLU 40 -16.171 -5.933 1.426 286 1HG GLU 40 1HG GLU 40 -13.592 -5.129 -0.100 287 2HG GLU 40 2HG GLU 40 -14.927 -6.042 -0.780 288 H GLU 41 H GLU 41 -16.955 -3.673 2.491 289 HA GLU 41 HA GLU 41 -16.352 -1.084 1.517 290 1HB GLU 41 1HB GLU 41 -18.537 -0.328 2.490 291 2HB GLU 41 2HB GLU 41 -18.589 -1.717 1.446 292 1HG GLU 41 1HG GLU 41 -18.829 -3.240 3.508 293 2HG GLU 41 2HG GLU 41 -18.808 -1.824 4.543 294 H ASP 42 H ASP 42 -16.001 -2.103 4.849 295 HA ASP 42 HA ASP 42 -15.470 0.571 6.080 296 1HB ASP 42 1HB ASP 42 -14.929 -2.331 6.948 297 2HB ASP 42 2HB ASP 42 -14.372 -0.966 7.906 298 H ILE 43 H ILE 43 -13.370 -1.994 4.765 299 HA ILE 43 HA ILE 43 -10.787 -0.505 5.089 300 HB ILE 43 HB ILE 43 -11.569 -3.007 3.544 301 1HG1 ILE 43 1HG1 ILE 43 -9.194 -2.770 5.477 302 2HG1 ILE 43 2HG1 ILE 43 -10.807 -2.899 6.124 303 1HG2 ILE 43 1HG2 ILE 43 -9.983 -1.809 1.987 304 2HG2 ILE 43 2HG2 ILE 43 -8.808 -1.599 3.301 305 3HG2 ILE 43 3HG2 ILE 43 -9.189 -3.221 2.670 306 1HD1 ILE 43 1HD1 ILE 43 -11.209 -5.077 4.900 307 2HD1 ILE 43 2HD1 ILE 43 -9.514 -5.055 4.345 308 3HD1 ILE 43 3HD1 ILE 43 -9.882 -5.142 6.081 309 H GLU 44 H GLU 44 -13.301 -0.687 2.636 310 HA GLU 44 HA GLU 44 -11.873 0.877 0.517 311 1HB GLU 44 1HB GLU 44 -13.451 0.075 -0.778 312 2HB GLU 44 2HB GLU 44 -14.187 -0.723 0.578 313 1HG GLU 44 1HG GLU 44 -16.078 0.582 0.389 314 2HG GLU 44 2HG GLU 44 -15.160 2.068 0.545 315 H ASP 45 H ASP 45 -13.907 1.661 3.256 316 HA ASP 45 HA ASP 45 -14.122 4.607 2.699 317 1HB ASP 45 1HB ASP 45 -14.730 2.883 5.177 318 2HB ASP 45 2HB ASP 45 -14.932 4.630 5.167 319 H LEU 46 H LEU 46 -12.120 2.618 4.885 320 HA LEU 46 HA LEU 46 -10.313 4.769 5.827 321 1HB LEU 46 1HB LEU 46 -10.611 2.555 6.923 322 2HB LEU 46 2HB LEU 46 -9.845 1.736 5.583 323 HG LEU 46 HG LEU 46 -8.234 3.866 7.086 324 1HD1 LEU 46 1HD1 LEU 46 -9.317 2.385 8.822 325 2HD1 LEU 46 2HD1 LEU 46 -8.570 0.968 8.068 326 3HD1 LEU 46 3HD1 LEU 46 -7.537 2.230 8.802 327 1HD2 LEU 46 1HD2 LEU 46 -7.482 1.224 5.681 328 2HD2 LEU 46 2HD2 LEU 46 -7.104 2.872 5.100 329 3HD2 LEU 46 3HD2 LEU 46 -6.339 2.224 6.581 330 H MET 47 H MET 47 -9.629 2.383 3.238 331 HA MET 47 HA MET 47 -7.253 3.585 2.202 332 1HB MET 47 1HB MET 47 -7.996 1.355 1.503 333 2HB MET 47 2HB MET 47 -9.423 2.005 0.715 334 1HG MET 47 1HG MET 47 -8.095 3.097 -1.064 335 2HG MET 47 2HG MET 47 -6.577 2.717 -0.231 336 1HE MET 47 1HE MET 47 -6.016 1.914 -2.708 337 2HE MET 47 2HE MET 47 -5.161 1.089 -1.372 338 3HE MET 47 3HE MET 47 -5.781 0.132 -2.748 339 H LYS 48 H LYS 48 -10.612 4.427 1.348 340 HA LYS 48 HA LYS 48 -9.835 6.629 -0.527 341 1HB LYS 48 1HB LYS 48 -12.484 5.685 0.685 342 2HB LYS 48 2HB LYS 48 -12.443 7.049 -0.389 343 1HG LYS 48 1HG LYS 48 -11.331 5.380 -2.166 344 2HG LYS 48 2HG LYS 48 -11.665 4.113 -1.028 345 1HD LYS 48 1HD LYS 48 -13.689 3.816 -1.929 346 2HD LYS 48 2HD LYS 48 -14.240 5.283 -1.191 347 1HE LYS 48 1HE LYS 48 -12.893 5.255 -4.004 348 2HE LYS 48 2HE LYS 48 -14.605 4.938 -3.788 349 1HZ LYS 48 1HZ LYS 48 -14.427 7.220 -2.336 350 2HZ LYS 48 2HZ LYS 48 -13.223 7.561 -3.307 351 3HZ LYS 48 3HZ LYS 48 -14.730 7.289 -3.939 352 H ASP 49 H ASP 49 -10.061 6.438 2.894 353 HA ASP 49 HA ASP 49 -9.999 9.422 3.352 354 1HB ASP 49 1HB ASP 49 -10.557 7.782 5.199 355 2HB ASP 49 2HB ASP 49 -8.916 7.154 5.145 356 H SER 50 H SER 50 -7.387 6.919 3.128 357 HA SER 50 HA SER 50 -5.239 8.948 3.637 358 1HB SER 50 1HB SER 50 -3.695 6.950 3.119 359 2HB SER 50 2HB SER 50 -4.786 6.735 4.484 360 HG SER 50 HG SER 50 -6.039 5.389 3.319 361 H ASP 51 H ASP 51 -6.604 7.357 0.769 362 HA ASP 51 HA ASP 51 -4.409 7.865 -1.157 363 1HB ASP 51 1HB ASP 51 -6.444 6.179 -1.259 364 2HB ASP 51 2HB ASP 51 -7.373 7.529 -1.896 365 H LYS 52 H LYS 52 -3.847 9.596 -2.246 366 HA LYS 52 HA LYS 52 -5.426 12.186 -2.323 367 1HB LYS 52 1HB LYS 52 -3.556 12.691 -4.108 368 2HB LYS 52 2HB LYS 52 -3.189 12.790 -2.414 369 1HG LYS 52 1HG LYS 52 -2.649 10.145 -3.941 370 2HG LYS 52 2HG LYS 52 -1.606 11.502 -4.225 371 1HD LYS 52 1HD LYS 52 -1.387 11.644 -1.562 372 2HD LYS 52 2HD LYS 52 -1.907 9.991 -1.553 373 1HE LYS 52 1HE LYS 52 0.530 9.885 -1.571 374 2HE LYS 52 2HE LYS 52 0.073 9.483 -3.226 375 1HZ LYS 52 1HZ LYS 52 0.271 12.112 -3.606 376 2HZ LYS 52 2HZ LYS 52 1.152 12.171 -2.291 377 3HZ LYS 52 3HZ LYS 52 1.663 11.260 -3.577 378 H ASN 53 H ASN 53 -4.016 10.742 -5.196 379 HA ASN 53 HA ASN 53 -5.891 12.121 -6.814 380 1HB ASN 53 1HB ASN 53 -4.906 10.656 -8.761 381 2HB ASN 53 2HB ASN 53 -3.797 11.618 -7.823 382 1HD2 ASN 53 1HD2 ASN 53 -3.303 7.623 -7.897 383 2HD2 ASN 53 2HD2 ASN 53 -4.675 8.435 -8.776 384 H ASN 54 H ASN 54 -6.278 8.848 -5.645 385 HA ASN 54 HA ASN 54 -8.160 7.349 -5.667 386 1HB ASN 54 1HB ASN 54 -9.501 10.053 -6.297 387 2HB ASN 54 2HB ASN 54 -10.447 8.590 -6.315 388 1HD2 ASN 54 1HD2 ASN 54 -10.053 10.320 -2.843 389 2HD2 ASN 54 2HD2 ASN 54 -9.999 11.098 -4.488 390 H ASP 55 H ASP 55 -6.939 6.369 -7.497 391 HA ASP 55 HA ASP 55 -9.051 5.818 -9.629 392 1HB ASP 55 1HB ASP 55 -7.615 6.085 -11.463 393 2HB ASP 55 2HB ASP 55 -7.033 7.361 -10.403 394 H GLY 56 H GLY 56 -7.651 4.508 -7.087 395 1HA GLY 56 1HA GLY 56 -8.829 2.386 -6.528 396 2HA GLY 56 2HA GLY 56 -8.548 1.826 -8.182 397 H ARG 57 H ARG 57 -5.616 2.500 -7.998 398 HA ARG 57 HA ARG 57 -4.705 0.176 -6.235 399 1HB ARG 57 1HB ARG 57 -3.547 1.352 -8.833 400 2HB ARG 57 2HB ARG 57 -2.771 0.064 -7.912 401 1HG ARG 57 1HG ARG 57 -5.050 -1.262 -8.171 402 2HG ARG 57 2HG ARG 57 -5.515 -0.031 -9.343 403 1HD ARG 57 1HD ARG 57 -3.712 -0.657 -10.884 404 2HD ARG 57 2HD ARG 57 -2.832 -1.515 -9.620 405 HE ARG 57 HE ARG 57 -4.368 -3.409 -9.636 406 1HH1 ARG 57 2HH1 ARG 57 -5.377 -1.059 -11.974 407 2HH1 ARG 57 1HH1 ARG 57 -6.653 -2.204 -12.646 408 1HH2 ARG 57 1HH2 ARG 57 -5.715 -4.641 -10.433 409 2HH2 ARG 57 2HH2 ARG 57 -6.768 -4.182 -11.859 410 H ILE 58 H ILE 58 -2.672 0.220 -5.139 411 HA ILE 58 HA ILE 58 -1.376 2.940 -4.688 412 HB ILE 58 HB ILE 58 -1.297 0.355 -3.056 413 1HG1 ILE 58 1HG1 ILE 58 -2.399 3.172 -2.401 414 2HG1 ILE 58 2HG1 ILE 58 -3.352 1.753 -2.731 415 1HG2 ILE 58 1HG2 ILE 58 1.004 1.403 -2.925 416 2HG2 ILE 58 2HG2 ILE 58 0.290 2.954 -2.441 417 3HG2 ILE 58 3HG2 ILE 58 0.178 1.533 -1.376 418 1HD1 ILE 58 1HD1 ILE 58 -2.464 0.579 -0.666 419 2HD1 ILE 58 2HD1 ILE 58 -1.584 2.067 -0.231 420 3HD1 ILE 58 3HD1 ILE 58 -3.359 2.079 -0.319 421 H ASP 59 H ASP 59 0.531 3.439 -5.561 422 HA ASP 59 HA ASP 59 2.573 1.228 -6.138 423 1HB ASP 59 1HB ASP 59 3.453 2.689 -7.953 424 2HB ASP 59 2HB ASP 59 1.743 2.348 -8.182 425 H PHE 60 H PHE 60 4.914 2.758 -6.404 426 HA PHE 60 HA PHE 60 5.766 2.126 -3.637 427 1HB PHE 60 1HB PHE 60 7.120 1.964 -5.873 428 2HB PHE 60 2HB PHE 60 7.407 3.667 -5.728 429 HD1 PHE 60 HD1 PHE 60 7.390 2.101 -2.429 430 HD2 PHE 60 HD2 PHE 60 9.841 2.796 -5.887 431 HE1 PHE 60 HE1 PHE 60 9.421 1.762 -1.068 432 HE2 PHE 60 HE2 PHE 60 11.856 2.434 -4.533 433 HZ PHE 60 HZ PHE 60 11.660 1.963 -2.112 434 H ASP 61 H ASP 61 4.819 5.131 -5.166 435 HA ASP 61 HA ASP 61 5.884 7.156 -3.276 436 1HB ASP 61 1HB ASP 61 4.928 8.140 -5.220 437 2HB ASP 61 2HB ASP 61 3.662 6.935 -5.363 438 H GLU 62 H GLU 62 2.515 6.439 -3.606 439 HA GLU 62 HA GLU 62 1.271 6.732 -1.066 440 1HB GLU 62 1HB GLU 62 0.576 4.209 -2.539 441 2HB GLU 62 2HB GLU 62 -0.460 5.373 -1.769 442 1HG GLU 62 1HG GLU 62 0.586 6.900 -3.920 443 2HG GLU 62 2HG GLU 62 0.525 5.293 -4.620 444 H PHE 63 H PHE 63 3.610 4.189 -1.815 445 HA PHE 63 HA PHE 63 3.089 2.487 0.620 446 1HB PHE 63 1HB PHE 63 4.267 1.760 -1.582 447 2HB PHE 63 2HB PHE 63 5.660 2.645 -1.061 448 HD1 PHE 63 HD1 PHE 63 6.485 2.073 1.534 449 HD2 PHE 63 HD2 PHE 63 4.174 -0.600 -0.922 450 HE1 PHE 63 HE1 PHE 63 7.543 0.131 2.624 451 HE2 PHE 63 HE2 PHE 63 5.194 -2.512 0.211 452 HZ PHE 63 HZ PHE 63 6.967 -2.161 1.899 453 H LEU 64 H LEU 64 5.730 4.736 -0.238 454 HA LEU 64 HA LEU 64 6.998 4.990 2.330 455 1HB LEU 64 1HB LEU 64 6.814 6.964 0.000 456 2HB LEU 64 2HB LEU 64 7.768 7.330 1.414 457 HG LEU 64 HG LEU 64 8.230 4.830 -0.325 458 1HD1 LEU 64 1HD1 LEU 64 9.598 7.606 -0.452 459 2HD1 LEU 64 2HD1 LEU 64 10.197 6.136 -1.267 460 3HD1 LEU 64 3HD1 LEU 64 8.622 6.800 -1.711 461 1HD2 LEU 64 1HD2 LEU 64 9.990 6.152 1.869 462 2HD2 LEU 64 2HD2 LEU 64 9.228 4.536 1.934 463 3HD2 LEU 64 3HD2 LEU 64 10.530 4.850 0.778 464 H LYS 65 H LYS 65 4.228 6.923 1.159 465 HA LYS 65 HA LYS 65 3.791 8.358 3.720 466 1HB LYS 65 1HB LYS 65 2.399 7.817 1.081 467 2HB LYS 65 2HB LYS 65 1.399 8.487 2.355 468 1HG LYS 65 1HG LYS 65 4.042 9.900 1.687 469 2HG LYS 65 2HG LYS 65 2.744 9.957 0.480 470 1HD LYS 65 1HD LYS 65 2.204 10.597 3.427 471 2HD LYS 65 2HD LYS 65 2.790 11.865 2.345 472 1HE LYS 65 1HE LYS 65 0.554 12.279 1.855 473 2HE LYS 65 2HE LYS 65 0.521 10.726 0.999 474 1HZ LYS 65 1HZ LYS 65 0.286 9.830 3.587 475 2HZ LYS 65 2HZ LYS 65 -0.511 11.265 3.750 476 3HZ LYS 65 3HZ LYS 65 -0.994 10.147 2.666 477 H MET 66 H MET 66 2.047 5.513 2.321 478 HA MET 66 HA MET 66 0.594 4.605 4.540 479 1HB MET 66 1HB MET 66 0.228 3.354 2.607 480 2HB MET 66 2HB MET 66 1.930 3.232 2.211 481 1HG MET 66 1HG MET 66 2.324 1.330 3.564 482 2HG MET 66 2HG MET 66 0.957 1.655 4.647 483 1HE MET 66 1HE MET 66 2.296 -0.090 1.551 484 2HE MET 66 2HE MET 66 1.916 -1.062 3.007 485 3HE MET 66 3HE MET 66 1.033 -1.356 1.480 486 H MET 67 H MET 67 4.139 4.248 4.304 487 HA MET 67 HA MET 67 4.363 2.996 7.002 488 1HB MET 67 1HB MET 67 6.432 4.505 5.273 489 2HB MET 67 2HB MET 67 6.807 3.769 6.818 490 1HG MET 67 1HG MET 67 5.568 1.625 5.414 491 2HG MET 67 2HG MET 67 6.549 2.437 4.178 492 1HE MET 67 1HE MET 67 6.322 -0.064 6.792 493 2HE MET 67 2HE MET 67 7.895 -0.167 7.649 494 3HE MET 67 3HE MET 67 6.735 1.137 8.053 495 H GLU 68 H GLU 68 5.031 6.323 5.846 496 HA GLU 68 HA GLU 68 5.811 7.342 8.412 497 1HB GLU 68 1HB GLU 68 6.579 8.301 6.330 498 2HB GLU 68 2HB GLU 68 4.989 8.843 5.885 499 1HG GLU 68 1HG GLU 68 5.201 10.833 7.075 500 2HG GLU 68 2HG GLU 68 5.858 10.048 8.500 501 H GLY 69 H GLY 69 2.575 7.364 7.047 502 1HA GLY 69 1HA GLY 69 0.559 7.366 8.497 503 2HA GLY 69 2HA GLY 69 1.452 8.287 9.713 504 H VAL 70 H VAL 70 0.897 10.408 9.942 505 HA VAL 70 HA VAL 70 0.058 11.995 7.454 506 HB VAL 70 HB VAL 70 -0.221 12.746 10.417 507 1HG1 VAL 70 1HG1 VAL 70 -1.230 14.251 7.896 508 2HG1 VAL 70 2HG1 VAL 70 -1.673 14.657 9.574 509 3HG1 VAL 70 3HG1 VAL 70 0.002 14.829 9.044 510 1HG2 VAL 70 1HG2 VAL 70 -1.860 10.946 9.736 511 2HG2 VAL 70 2HG2 VAL 70 -2.689 12.456 10.079 512 3HG2 VAL 70 3HG2 VAL 70 -2.437 11.945 8.384 513 H GLN 71 H GLN 71 1.197 13.935 6.927 514 HA GLN 71 HA GLN 71 3.910 14.343 7.123 515 1HB GLN 71 1HB GLN 71 1.783 16.552 7.261 516 2HB GLN 71 2HB GLN 71 3.484 16.845 6.906 517 1HG GLN 71 1HG GLN 71 3.348 15.477 4.833 518 2HG GLN 71 2HG GLN 71 1.742 14.890 5.222 519 1HE2 GLN 71 1HE2 GLN 71 0.479 18.355 4.418 520 2HE2 GLN 71 2HE2 GLN 71 0.593 17.377 5.982 521 1HN NH2 72 1HN NH2 72 2.165 16.645 9.352 522 2HN NH2 72 2HN NH2 72 3.186 16.325 10.779 No H/Q in entry = 522 Start of MODEL 13 1 1H ACE 1 1HH3 ACE 1 15.772 6.940 7.139 2 2H ACE 1 2HH3 ACE 1 14.525 8.220 6.925 3 3H ACE 1 3HH3 ACE 1 14.200 6.799 7.958 4 H LYS 2 H LYS 2 15.513 7.114 4.629 5 HA LYS 2 HA LYS 2 13.777 4.977 3.561 6 1HB LYS 2 1HB LYS 2 12.711 6.702 1.809 7 2HB LYS 2 2HB LYS 2 11.874 6.246 3.277 8 1HG LYS 2 1HG LYS 2 11.777 8.756 2.838 9 2HG LYS 2 2HG LYS 2 12.561 8.417 4.359 10 1HD LYS 2 1HD LYS 2 14.829 8.501 2.835 11 2HD LYS 2 2HD LYS 2 13.803 9.433 1.743 12 1HE LYS 2 1HE LYS 2 13.399 11.180 3.307 13 2HE LYS 2 2HE LYS 2 13.795 10.203 4.733 14 1HZ LYS 2 1HZ LYS 2 15.861 10.800 2.596 15 2HZ LYS 2 2HZ LYS 2 15.674 11.861 3.731 16 3HZ LYS 2 3HZ LYS 2 16.224 10.337 4.102 17 H SER 3 H SER 3 16.225 4.710 3.324 18 HA SER 3 HA SER 3 17.569 5.579 0.815 19 1HB SER 3 1HB SER 3 18.524 4.329 2.870 20 2HB SER 3 2HB SER 3 17.833 2.858 2.229 21 HG SER 3 HG SER 3 19.123 2.951 0.462 22 H GLU 4 H GLU 4 17.157 5.032 -1.296 23 HA GLU 4 HA GLU 4 14.299 4.405 -1.811 24 1HB GLU 4 1HB GLU 4 16.551 5.332 -3.527 25 2HB GLU 4 2HB GLU 4 15.313 4.362 -4.287 26 1HG GLU 4 1HG GLU 4 13.649 6.077 -4.091 27 2HG GLU 4 2HG GLU 4 14.390 6.805 -2.671 28 H GLU 5 H GLU 5 17.226 2.507 -1.983 29 HA GLU 5 HA GLU 5 16.126 0.558 -3.877 30 1HB GLU 5 1HB GLU 5 18.356 1.000 -4.204 31 2HB GLU 5 2HB GLU 5 18.779 0.955 -2.520 32 1HG GLU 5 1HG GLU 5 19.084 -1.427 -2.505 33 2HG GLU 5 2HG GLU 5 17.976 -1.704 -3.837 34 H GLU 6 H GLU 6 16.720 0.269 -0.386 35 HA GLU 6 HA GLU 6 15.777 -2.518 -0.147 36 1HB GLU 6 1HB GLU 6 15.491 -1.019 2.344 37 2HB GLU 6 2HB GLU 6 16.450 -2.420 1.978 38 1HG GLU 6 1HG GLU 6 18.293 -0.885 1.030 39 2HG GLU 6 2HG GLU 6 17.326 0.514 1.460 40 H LEU 7 H LEU 7 14.051 0.561 0.132 41 HA LEU 7 HA LEU 7 11.306 -0.622 0.422 42 1HB LEU 7 1HB LEU 7 12.251 2.100 -0.634 43 2HB LEU 7 2HB LEU 7 10.568 1.660 -0.478 44 HG LEU 7 HG LEU 7 12.536 2.460 1.650 45 1HD1 LEU 7 1HD1 LEU 7 10.717 3.975 0.884 46 2HD1 LEU 7 2HD1 LEU 7 9.473 2.782 1.342 47 3HD1 LEU 7 3HD1 LEU 7 10.488 3.554 2.588 48 1HD2 LEU 7 1HD2 LEU 7 10.301 0.387 2.266 49 2HD2 LEU 7 2HD2 LEU 7 12.057 0.164 2.494 50 3HD2 LEU 7 3HD2 LEU 7 11.188 1.334 3.489 51 H ALA 8 H ALA 8 13.444 0.007 -2.359 52 HA ALA 8 HA ALA 8 11.639 -0.960 -4.416 53 1HB ALA 8 1HB ALA 8 14.728 -1.032 -4.236 54 2HB ALA 8 2HB ALA 8 13.785 -1.271 -5.721 55 3HB ALA 8 3HB ALA 8 13.724 0.286 -4.885 56 H ASN 9 H ASN 9 14.231 -2.935 -2.853 57 HA ASN 9 HA ASN 9 13.322 -5.571 -3.559 58 1HB ASN 9 1HB ASN 9 14.603 -4.663 -0.886 59 2HB ASN 9 2HB ASN 9 14.470 -6.322 -1.400 60 1HD2 ASN 9 1HD2 ASN 9 17.081 -5.843 -3.924 61 2HD2 ASN 9 2HD2 ASN 9 15.464 -6.658 -3.741 62 H ALA 10 H ALA 10 12.039 -3.511 -0.983 63 HA ALA 10 HA ALA 10 10.235 -5.568 0.249 64 1HB ALA 10 1HB ALA 10 11.271 -3.688 1.537 65 2HB ALA 10 2HB ALA 10 10.352 -2.491 0.588 66 3HB ALA 10 3HB ALA 10 9.501 -3.633 1.650 67 H PHE 11 H PHE 11 9.538 -2.630 -1.723 68 HA PHE 11 HA PHE 11 6.761 -3.208 -2.312 69 1HB PHE 11 1HB PHE 11 7.850 -0.998 -2.619 70 2HB PHE 11 2HB PHE 11 8.831 -1.609 -3.908 71 HD1 PHE 11 HD1 PHE 11 7.195 -2.870 -5.909 72 HD2 PHE 11 HD2 PHE 11 6.079 0.391 -3.333 73 HE1 PHE 11 HE1 PHE 11 5.606 -2.056 -7.607 74 HE2 PHE 11 HE2 PHE 11 4.548 1.225 -5.069 75 HZ PHE 11 HZ PHE 11 4.284 -0.006 -7.187 76 H ARG 12 H ARG 12 9.626 -4.166 -4.246 77 HA ARG 12 HA ARG 12 8.279 -5.803 -6.178 78 1HB ARG 12 1HB ARG 12 10.750 -5.158 -6.118 79 2HB ARG 12 2HB ARG 12 11.028 -6.440 -4.945 80 1HG ARG 12 1HG ARG 12 11.546 -6.991 -7.431 81 2HG ARG 12 2HG ARG 12 10.586 -8.193 -6.558 82 1HD ARG 12 1HD ARG 12 9.681 -7.720 -8.879 83 2HD ARG 12 2HD ARG 12 8.481 -7.406 -7.595 84 HE ARG 12 HE ARG 12 9.113 -4.902 -7.756 85 1HH1 ARG 12 2HH1 ARG 12 9.947 -6.920 -10.446 86 2HH1 ARG 12 1HH1 ARG 12 10.064 -5.494 -11.585 87 1HH2 ARG 12 1HH2 ARG 12 9.257 -3.321 -9.040 88 2HH2 ARG 12 2HH2 ARG 12 9.691 -3.541 -10.798 89 H ILE 13 H ILE 13 9.254 -6.773 -2.877 90 HA ILE 13 HA ILE 13 8.827 -9.685 -3.376 91 HB ILE 13 HB ILE 13 9.645 -8.080 -0.912 92 1HG1 ILE 13 1HG1 ILE 13 11.331 -8.792 -2.867 93 2HG1 ILE 13 2HG1 ILE 13 11.818 -8.865 -1.196 94 1HG2 ILE 13 1HG2 ILE 13 8.237 -9.977 -0.019 95 2HG2 ILE 13 2HG2 ILE 13 9.185 -11.155 -0.958 96 3HG2 ILE 13 3HG2 ILE 13 9.923 -10.254 0.380 97 1HD1 ILE 13 1HD1 ILE 13 11.368 -11.338 -1.066 98 2HD1 ILE 13 2HD1 ILE 13 10.924 -11.341 -2.791 99 3HD1 ILE 13 3HD1 ILE 13 12.576 -10.916 -2.302 100 H PHE 14 H PHE 14 6.992 -7.104 -1.854 101 HA PHE 14 HA PHE 14 4.633 -8.666 -0.902 102 1HB PHE 14 1HB PHE 14 4.817 -5.757 -1.936 103 2HB PHE 14 2HB PHE 14 3.410 -6.449 -1.200 104 HD1 PHE 14 HD1 PHE 14 5.401 -8.079 0.883 105 HD2 PHE 14 HD2 PHE 14 4.683 -3.967 -0.129 106 HE1 PHE 14 HE1 PHE 14 6.130 -7.393 3.134 107 HE2 PHE 14 HE2 PHE 14 5.434 -3.285 2.115 108 HZ PHE 14 HZ PHE 14 6.193 -4.987 3.738 109 H ASP 15 H ASP 15 5.169 -6.813 -3.934 110 HA ASP 15 HA ASP 15 2.772 -7.679 -5.269 111 1HB ASP 15 1HB ASP 15 4.027 -5.624 -5.835 112 2HB ASP 15 2HB ASP 15 5.399 -6.548 -6.425 113 H LYS 16 H LYS 16 2.179 -9.712 -5.879 114 HA LYS 16 HA LYS 16 4.328 -11.839 -5.765 115 1HB LYS 16 1HB LYS 16 2.665 -13.462 -5.300 116 2HB LYS 16 2HB LYS 16 2.215 -12.072 -4.352 117 1HG LYS 16 1HG LYS 16 0.858 -12.205 -7.055 118 2HG LYS 16 2HG LYS 16 0.579 -13.631 -6.063 119 1HD LYS 16 1HD LYS 16 0.235 -11.111 -4.495 120 2HD LYS 16 2HD LYS 16 -0.782 -11.151 -5.933 121 1HE LYS 16 1HE LYS 16 -2.323 -12.433 -4.936 122 2HE LYS 16 2HE LYS 16 -1.155 -13.756 -4.743 123 1HZ LYS 16 1HZ LYS 16 -1.028 -11.390 -2.854 124 2HZ LYS 16 2HZ LYS 16 -2.154 -12.538 -2.601 125 3HZ LYS 16 3HZ LYS 16 -0.562 -12.942 -2.530 126 H ASN 17 H ASN 17 2.290 -10.194 -8.073 127 HA ASN 17 HA ASN 17 3.155 -12.008 -10.300 128 1HB ASN 17 1HB ASN 17 0.845 -10.732 -9.934 129 2HB ASN 17 2HB ASN 17 1.633 -9.396 -10.729 130 1HD2 ASN 17 1HD2 ASN 17 0.935 -12.585 -13.152 131 2HD2 ASN 17 2HD2 ASN 17 1.929 -12.841 -11.680 132 H ALA 18 H ALA 18 3.821 -8.601 -9.404 133 HA ALA 18 HA ALA 18 5.915 -7.372 -9.639 134 1HB ALA 18 1HB ALA 18 7.050 -9.615 -9.410 135 2HB ALA 18 2HB ALA 18 6.835 -9.896 -11.152 136 3HB ALA 18 3HB ALA 18 7.884 -8.578 -10.601 137 H ASP 19 H ASP 19 3.709 -6.922 -11.383 138 HA ASP 19 HA ASP 19 5.048 -5.912 -13.915 139 1HB ASP 19 1HB ASP 19 2.173 -5.947 -12.866 140 2HB ASP 19 2HB ASP 19 2.602 -4.835 -14.158 141 H GLY 20 H GLY 20 5.714 -5.017 -11.054 142 1HA GLY 20 1HA GLY 20 6.672 -2.972 -10.155 143 2HA GLY 20 2HA GLY 20 6.142 -2.143 -11.623 144 H TYR 21 H TYR 21 3.522 -3.653 -10.074 145 HA TYR 21 HA TYR 21 2.537 -0.947 -8.967 146 1HB TYR 21 1HB TYR 21 0.782 -3.136 -10.252 147 2HB TYR 21 2HB TYR 21 0.226 -1.623 -9.599 148 HD1 TYR 21 HD1 TYR 21 2.241 -3.103 -12.388 149 HD2 TYR 21 HD2 TYR 21 0.367 0.473 -10.903 150 HE1 TYR 21 HE1 TYR 21 2.404 -2.078 -14.624 151 HE2 TYR 21 HE2 TYR 21 0.517 1.465 -13.165 152 HH TYR 21 HH TYR 21 2.440 0.731 -15.331 153 H ILE 22 H ILE 22 1.305 -0.969 -7.064 154 HA ILE 22 HA ILE 22 0.852 -3.631 -5.615 155 HB ILE 22 HB ILE 22 0.529 -0.785 -4.519 156 1HG1 ILE 22 1HG1 ILE 22 2.962 -2.375 -4.761 157 2HG1 ILE 22 2HG1 ILE 22 2.759 -0.779 -4.092 158 1HG2 ILE 22 1HG2 ILE 22 -1.027 -2.411 -3.351 159 2HG2 ILE 22 2HG2 ILE 22 0.336 -3.489 -2.995 160 3HG2 ILE 22 3HG2 ILE 22 0.229 -1.874 -2.248 161 1HD1 ILE 22 1HD1 ILE 22 2.125 -1.753 -1.824 162 2HD1 ILE 22 2HD1 ILE 22 2.530 -3.370 -2.455 163 3HD1 ILE 22 3HD1 ILE 22 3.785 -2.117 -2.357 164 H ASP 23 H ASP 23 -1.234 -4.109 -4.747 165 HA ASP 23 HA ASP 23 -3.560 -3.029 -6.419 166 1HB ASP 23 1HB ASP 23 -4.397 -5.469 -6.564 167 2HB ASP 23 2HB ASP 23 -2.988 -5.069 -7.536 168 H ILE 24 H ILE 24 -5.712 -3.652 -5.536 169 HA ILE 24 HA ILE 24 -5.934 -2.711 -2.680 170 HB ILE 24 HB ILE 24 -7.598 -2.402 -4.866 171 1HG1 ILE 24 1HG1 ILE 24 -8.058 -0.745 -3.315 172 2HG1 ILE 24 2HG1 ILE 24 -9.433 -1.762 -2.979 173 1HG2 ILE 24 1HG2 ILE 24 -8.520 -4.763 -4.723 174 2HG2 ILE 24 2HG2 ILE 24 -9.027 -4.476 -3.047 175 3HG2 ILE 24 3HG2 ILE 24 -9.785 -3.591 -4.395 176 1HD1 ILE 24 1HD1 ILE 24 -8.203 -2.875 -1.047 177 2HD1 ILE 24 2HD1 ILE 24 -6.889 -1.692 -1.258 178 3HD1 ILE 24 3HD1 ILE 24 -8.519 -1.134 -0.825 179 H GLU 25 H GLU 25 -5.869 -5.755 -4.357 180 HA GLU 25 HA GLU 25 -6.904 -7.401 -2.072 181 1HB GLU 25 1HB GLU 25 -5.601 -8.165 -4.714 182 2HB GLU 25 2HB GLU 25 -5.958 -9.352 -3.496 183 1HG GLU 25 1HG GLU 25 -8.378 -9.080 -3.762 184 2HG GLU 25 2HG GLU 25 -8.216 -7.543 -4.592 185 H GLU 26 H GLU 26 -3.774 -6.220 -3.062 186 HA GLU 26 HA GLU 26 -2.132 -8.144 -1.441 187 1HB GLU 26 1HB GLU 26 -0.307 -7.340 -2.458 188 2HB GLU 26 2HB GLU 26 -1.471 -6.845 -3.650 189 1HG GLU 26 1HG GLU 26 0.022 -4.959 -3.405 190 2HG GLU 26 2HG GLU 26 -1.426 -4.453 -2.553 191 H LEU 27 H LEU 27 -3.055 -4.731 -1.109 192 HA LEU 27 HA LEU 27 -1.801 -3.925 1.406 193 1HB LEU 27 1HB LEU 27 -3.068 -2.425 -0.122 194 2HB LEU 27 2HB LEU 27 -4.566 -3.232 0.261 195 HG LEU 27 HG LEU 27 -3.873 -2.480 2.821 196 1HD1 LEU 27 1HD1 LEU 27 -1.738 -1.404 2.100 197 2HD1 LEU 27 2HD1 LEU 27 -2.624 -0.280 1.031 198 3HD1 LEU 27 3HD1 LEU 27 -2.844 -0.227 2.804 199 1HD2 LEU 27 1HD2 LEU 27 -5.245 -0.590 0.766 200 2HD2 LEU 27 2HD2 LEU 27 -6.049 -1.880 1.709 201 3HD2 LEU 27 3HD2 LEU 27 -5.359 -0.485 2.545 202 H GLY 28 H GLY 28 -5.247 -4.731 1.393 203 1HA GLY 28 1HA GLY 28 -5.638 -5.150 4.116 204 2HA GLY 28 2HA GLY 28 -6.614 -6.041 2.941 205 H GLU 29 H GLU 29 -4.468 -7.714 1.959 206 HA GLU 29 HA GLU 29 -4.466 -9.966 3.897 207 1HB GLU 29 1HB GLU 29 -4.414 -10.209 1.402 208 2HB GLU 29 2HB GLU 29 -2.780 -9.618 1.369 209 1HG GLU 29 1HG GLU 29 -1.927 -11.639 2.542 210 2HG GLU 29 2HG GLU 29 -3.548 -12.182 2.936 211 H ILE 30 H ILE 30 -1.849 -7.769 2.853 212 HA ILE 30 HA ILE 30 0.255 -8.722 4.724 213 HB ILE 30 HB ILE 30 -0.109 -6.051 3.278 214 1HG1 ILE 30 1HG1 ILE 30 1.560 -8.540 2.710 215 2HG1 ILE 30 2HG1 ILE 30 0.631 -7.556 1.612 216 1HG2 ILE 30 1HG2 ILE 30 1.142 -5.581 5.415 217 2HG2 ILE 30 2HG2 ILE 30 2.313 -6.870 5.036 218 3HG2 ILE 30 3HG2 ILE 30 2.209 -5.401 4.026 219 1HD1 ILE 30 1HD1 ILE 30 3.354 -6.626 2.744 220 2HD1 ILE 30 2HD1 ILE 30 3.021 -7.272 1.123 221 3HD1 ILE 30 3HD1 ILE 30 2.308 -5.723 1.617 222 H LEU 31 H LEU 31 -1.984 -5.937 4.922 223 HA LEU 31 HA LEU 31 -1.090 -5.027 7.578 224 1HB LEU 31 1HB LEU 31 -2.941 -3.482 7.574 225 2HB LEU 31 2HB LEU 31 -2.216 -3.505 5.986 226 HG LEU 31 HG LEU 31 -4.207 -5.284 5.458 227 1HD1 LEU 31 1HD1 LEU 31 -5.333 -3.586 7.787 228 2HD1 LEU 31 2HD1 LEU 31 -6.305 -4.581 6.669 229 3HD1 LEU 31 3HD1 LEU 31 -5.126 -5.359 7.730 230 1HD2 LEU 31 1HD2 LEU 31 -4.570 -2.203 5.560 231 2HD2 LEU 31 2HD2 LEU 31 -3.960 -3.162 4.184 232 3HD2 LEU 31 3HD2 LEU 31 -5.645 -3.327 4.687 233 H ARG 32 H ARG 32 -3.645 -7.270 6.664 234 HA ARG 32 HA ARG 32 -4.357 -7.728 9.622 235 1HB ARG 32 1HB ARG 32 -5.825 -6.949 7.159 236 2HB ARG 32 2HB ARG 32 -6.616 -8.296 7.975 237 1HG ARG 32 1HG ARG 32 -5.747 -5.740 9.488 238 2HG ARG 32 2HG ARG 32 -7.261 -5.801 8.566 239 1HD ARG 32 1HD ARG 32 -8.240 -6.665 10.473 240 2HD ARG 32 2HD ARG 32 -7.431 -8.193 10.056 241 HE ARG 32 HE ARG 32 -5.376 -6.796 11.404 242 1HH1 ARG 32 2HH1 ARG 32 -8.663 -7.424 12.337 243 2HH1 ARG 32 1HH1 ARG 32 -8.245 -7.376 14.116 244 1HH2 ARG 32 1HH2 ARG 32 -4.950 -6.715 13.415 245 2HH2 ARG 32 2HH2 ARG 32 -6.245 -6.969 14.674 246 H ALA 33 H ALA 33 -2.440 -9.305 7.764 247 HA ALA 33 HA ALA 33 -3.568 -12.050 8.437 248 1HB ALA 33 1HB ALA 33 -2.705 -11.630 6.140 249 2HB ALA 33 2HB ALA 33 -1.100 -11.192 6.786 250 3HB ALA 33 3HB ALA 33 -1.714 -12.851 6.956 251 H THR 34 H THR 34 -2.852 -13.337 10.011 252 HA THR 34 HA THR 34 -0.042 -13.259 11.122 253 HB THR 34 HB THR 34 -1.480 -11.431 12.308 254 HG1 THR 34 HG1 THR 34 0.454 -12.420 13.177 255 1HG2 THR 34 2HG2 THR 34 -3.540 -12.951 12.634 256 2HG2 THR 34 3HG2 THR 34 -2.594 -13.913 13.798 257 3HG2 THR 34 1HG2 THR 34 -2.963 -12.216 14.152 258 H GLY 35 H GLY 35 -1.308 -15.268 9.681 259 1HA GLY 35 1HA GLY 35 -2.642 -17.334 11.492 260 2HA GLY 35 2HA GLY 35 -2.424 -17.491 9.745 261 1HN NH2 36 1HN NH2 36 -0.217 -18.038 8.873 262 2HN NH2 36 2HN NH2 36 0.830 -19.071 9.882 263 1H ACE 37 1HH3 ACE 37 -9.932 -10.773 10.383 264 2H ACE 37 2HH3 ACE 37 -8.294 -10.277 9.835 265 3H ACE 37 3HH3 ACE 37 -9.000 -9.567 11.310 266 H VAL 38 H VAL 38 -9.687 -9.894 7.821 267 HA VAL 38 HA VAL 38 -9.570 -6.940 7.524 268 HB VAL 38 HB VAL 38 -8.473 -8.036 5.791 269 1HG1 VAL 38 1HG1 VAL 38 -10.920 -9.904 5.377 270 2HG1 VAL 38 2HG1 VAL 38 -9.494 -9.877 4.315 271 3HG1 VAL 38 3HG1 VAL 38 -9.328 -10.369 6.003 272 1HG2 VAL 38 1HG2 VAL 38 -9.937 -6.225 4.794 273 2HG2 VAL 38 2HG2 VAL 38 -9.710 -7.557 3.639 274 3HG2 VAL 38 3HG2 VAL 38 -11.238 -7.409 4.541 275 H THR 39 H THR 39 -11.168 -5.575 6.661 276 HA THR 39 HA THR 39 -14.010 -6.569 6.388 277 HB THR 39 HB THR 39 -14.800 -4.328 7.581 278 HG1 THR 39 HG1 THR 39 -12.320 -4.920 8.834 279 1HG2 THR 39 2HG2 THR 39 -13.849 -6.816 9.168 280 2HG2 THR 39 3HG2 THR 39 -15.038 -5.621 9.742 281 3HG2 THR 39 1HG2 THR 39 -15.413 -6.642 8.338 282 H GLU 40 H GLU 40 -15.072 -5.540 4.691 283 HA GLU 40 HA GLU 40 -13.143 -4.546 2.634 284 1HB GLU 40 1HB GLU 40 -14.517 -5.383 1.114 285 2HB GLU 40 2HB GLU 40 -15.260 -6.204 2.452 286 1HG GLU 40 1HG GLU 40 -17.179 -4.643 2.481 287 2HG GLU 40 2HG GLU 40 -16.371 -3.499 1.426 288 H GLU 41 H GLU 41 -16.010 -3.088 4.197 289 HA GLU 41 HA GLU 41 -15.843 -0.514 2.957 290 1HB GLU 41 1HB GLU 41 -17.705 -1.604 4.403 291 2HB GLU 41 2HB GLU 41 -16.927 -0.887 5.781 292 1HG GLU 41 1HG GLU 41 -18.605 0.721 5.276 293 2HG GLU 41 2HG GLU 41 -17.219 1.447 4.484 294 H ASP 42 H ASP 42 -14.143 -1.538 5.878 295 HA ASP 42 HA ASP 42 -12.713 0.920 6.619 296 1HB ASP 42 1HB ASP 42 -12.099 -2.077 6.849 297 2HB ASP 42 2HB ASP 42 -10.899 -0.888 7.335 298 H ILE 43 H ILE 43 -11.686 -1.623 4.267 299 HA ILE 43 HA ILE 43 -9.083 -0.209 3.727 300 HB ILE 43 HB ILE 43 -10.333 -2.755 2.604 301 1HG1 ILE 43 1HG1 ILE 43 -8.195 -3.844 3.466 302 2HG1 ILE 43 2HG1 ILE 43 -7.672 -2.311 4.108 303 1HG2 ILE 43 1HG2 ILE 43 -9.171 -1.674 0.640 304 2HG2 ILE 43 2HG2 ILE 43 -7.689 -1.470 1.594 305 3HG2 ILE 43 3HG2 ILE 43 -8.272 -3.094 1.151 306 1HD1 ILE 43 1HD1 ILE 43 -9.656 -2.201 5.675 307 2HD1 ILE 43 2HD1 ILE 43 -10.135 -3.837 5.151 308 3HD1 ILE 43 3HD1 ILE 43 -8.576 -3.583 5.966 309 H GLU 44 H GLU 44 -12.237 -0.477 2.174 310 HA GLU 44 HA GLU 44 -11.407 0.818 -0.400 311 1HB GLU 44 1HB GLU 44 -13.865 -0.480 0.647 312 2HB GLU 44 2HB GLU 44 -14.193 0.862 -0.406 313 1HG GLU 44 1HG GLU 44 -12.164 -1.122 -1.499 314 2HG GLU 44 2HG GLU 44 -13.781 -1.763 -1.272 315 H ASP 45 H ASP 45 -12.791 1.924 2.610 316 HA ASP 45 HA ASP 45 -13.531 4.694 1.714 317 1HB ASP 45 1HB ASP 45 -13.346 3.252 4.410 318 2HB ASP 45 2HB ASP 45 -13.489 5.004 4.373 319 H LEU 46 H LEU 46 -10.781 3.330 3.550 320 HA LEU 46 HA LEU 46 -8.996 5.711 3.403 321 1HB LEU 46 1HB LEU 46 -8.726 3.781 4.969 322 2HB LEU 46 2HB LEU 46 -8.318 2.718 3.643 323 HG LEU 46 HG LEU 46 -6.587 5.199 4.215 324 1HD1 LEU 46 1HD1 LEU 46 -7.048 3.310 6.183 325 2HD1 LEU 46 2HD1 LEU 46 -5.661 2.582 5.359 326 3HD1 LEU 46 3HD1 LEU 46 -5.526 4.234 6.031 327 1HD2 LEU 46 1HD2 LEU 46 -6.166 2.552 2.722 328 2HD2 LEU 46 2HD2 LEU 46 -5.863 4.213 2.132 329 3HD2 LEU 46 3HD2 LEU 46 -4.785 3.459 3.344 330 H MET 47 H MET 47 -8.928 2.803 1.270 331 HA MET 47 HA MET 47 -7.473 4.191 -0.871 332 1HB MET 47 1HB MET 47 -7.685 1.644 -0.469 333 2HB MET 47 2HB MET 47 -9.269 1.728 -1.222 334 1HG MET 47 1HG MET 47 -8.178 1.315 -3.205 335 2HG MET 47 2HG MET 47 -7.743 3.034 -3.171 336 1HE MET 47 1HE MET 47 -6.339 0.438 -4.521 337 2HE MET 47 2HE MET 47 -5.749 2.097 -4.830 338 3HE MET 47 3HE MET 47 -4.596 0.830 -4.319 339 H LYS 48 H LYS 48 -10.673 4.817 0.082 340 HA LYS 48 HA LYS 48 -11.151 6.274 -2.537 341 1HB LYS 48 1HB LYS 48 -13.126 5.403 -1.698 342 2HB LYS 48 2HB LYS 48 -12.756 5.672 -0.022 343 1HG LYS 48 1HG LYS 48 -12.983 8.343 -0.972 344 2HG LYS 48 2HG LYS 48 -14.015 7.515 -2.094 345 1HD LYS 48 1HD LYS 48 -15.158 6.389 0.021 346 2HD LYS 48 2HD LYS 48 -14.447 7.657 0.963 347 1HE LYS 48 1HE LYS 48 -16.379 8.876 0.437 348 2HE LYS 48 2HE LYS 48 -15.660 9.129 -1.144 349 1HZ LYS 48 1HZ LYS 48 -17.096 6.542 -0.758 350 2HZ LYS 48 2HZ LYS 48 -18.037 7.807 -0.904 351 3HZ LYS 48 3HZ LYS 48 -16.993 7.419 -2.131 352 H ASP 49 H ASP 49 -9.889 6.885 0.688 353 HA ASP 49 HA ASP 49 -10.396 9.865 0.658 354 1HB ASP 49 1HB ASP 49 -10.526 8.559 2.796 355 2HB ASP 49 2HB ASP 49 -8.824 8.134 2.675 356 H SER 50 H SER 50 -7.484 7.794 0.405 357 HA SER 50 HA SER 50 -5.893 10.119 -0.686 358 1HB SER 50 1HB SER 50 -4.910 7.243 -0.145 359 2HB SER 50 2HB SER 50 -3.917 8.687 -0.313 360 HG SER 50 HG SER 50 -5.751 8.016 1.761 361 H ASP 51 H ASP 51 -7.600 7.432 -2.014 362 HA ASP 51 HA ASP 51 -6.086 7.204 -4.535 363 1HB ASP 51 1HB ASP 51 -7.514 5.400 -3.392 364 2HB ASP 51 2HB ASP 51 -8.957 6.237 -3.947 365 H LYS 52 H LYS 52 -6.678 9.982 -4.215 366 HA LYS 52 HA LYS 52 -9.408 10.756 -5.206 367 1HB LYS 52 1HB LYS 52 -7.223 11.931 -3.767 368 2HB LYS 52 2HB LYS 52 -7.385 12.930 -5.178 369 1HG LYS 52 1HG LYS 52 -8.919 14.059 -3.773 370 2HG LYS 52 2HG LYS 52 -10.027 12.920 -4.470 371 1HD LYS 52 1HD LYS 52 -9.783 11.333 -2.562 372 2HD LYS 52 2HD LYS 52 -8.632 12.347 -1.756 373 1HE LYS 52 1HE LYS 52 -10.526 13.144 -0.608 374 2HE LYS 52 2HE LYS 52 -10.737 14.177 -2.021 375 1HZ LYS 52 1HZ LYS 52 -11.983 12.000 -2.993 376 2HZ LYS 52 2HZ LYS 52 -12.201 11.573 -1.483 377 3HZ LYS 52 3HZ LYS 52 -12.828 13.007 -2.026 378 H ASN 53 H ASN 53 -6.099 10.802 -6.538 379 HA ASN 53 HA ASN 53 -6.780 11.991 -9.097 380 1HB ASN 53 1HB ASN 53 -4.419 11.392 -9.749 381 2HB ASN 53 2HB ASN 53 -4.503 12.113 -8.166 382 1HD2 ASN 53 1HD2 ASN 53 -2.227 9.295 -7.720 383 2HD2 ASN 53 2HD2 ASN 53 -2.270 10.968 -8.436 384 H ASN 54 H ASN 54 -7.856 9.045 -8.223 385 HA ASN 54 HA ASN 54 -8.821 7.195 -9.412 386 1HB ASN 54 1HB ASN 54 -8.477 9.272 -11.665 387 2HB ASN 54 2HB ASN 54 -9.058 7.672 -12.036 388 1HD2 ASN 54 1HD2 ASN 54 -12.300 8.346 -10.693 389 2HD2 ASN 54 2HD2 ASN 54 -11.141 7.036 -11.198 390 H ASP 55 H ASP 55 -5.889 7.246 -8.946 391 HA ASP 55 HA ASP 55 -5.190 4.971 -10.846 392 1HB ASP 55 1HB ASP 55 -3.688 6.623 -8.808 393 2HB ASP 55 2HB ASP 55 -3.174 4.947 -8.943 394 H GLY 56 H GLY 56 -7.234 3.910 -10.173 395 1HA GLY 56 1HA GLY 56 -7.924 2.669 -7.615 396 2HA GLY 56 2HA GLY 56 -8.280 1.967 -9.198 397 H ARG 57 H ARG 57 -5.434 1.594 -10.002 398 HA ARG 57 HA ARG 57 -4.228 0.018 -7.661 399 1HB ARG 57 1HB ARG 57 -2.791 -0.874 -9.809 400 2HB ARG 57 2HB ARG 57 -4.270 -1.632 -9.221 401 1HG ARG 57 1HG ARG 57 -4.458 0.623 -11.311 402 2HG ARG 57 2HG ARG 57 -3.947 -0.980 -11.834 403 1HD ARG 57 1HD ARG 57 -6.651 -0.167 -10.583 404 2HD ARG 57 2HD ARG 57 -6.346 -0.887 -12.162 405 HE ARG 57 HE ARG 57 -6.323 -2.444 -9.571 406 1HH1 ARG 57 2HH1 ARG 57 -5.455 -2.543 -12.925 407 2HH1 ARG 57 1HH1 ARG 57 -5.476 -4.383 -12.926 408 1HH2 ARG 57 1HH2 ARG 57 -6.337 -4.432 -9.612 409 2HH2 ARG 57 2HH2 ARG 57 -5.964 -5.404 -11.119 410 H ILE 58 H ILE 58 -1.963 0.081 -7.307 411 HA ILE 58 HA ILE 58 -1.192 3.021 -7.301 412 HB ILE 58 HB ILE 58 -0.785 0.803 -5.237 413 1HG1 ILE 58 1HG1 ILE 58 -2.402 3.440 -5.125 414 2HG1 ILE 58 2HG1 ILE 58 -3.071 1.837 -5.252 415 1HG2 ILE 58 1HG2 ILE 58 1.282 2.267 -5.192 416 2HG2 ILE 58 2HG2 ILE 58 0.274 3.717 -5.018 417 3HG2 ILE 58 3HG2 ILE 58 0.334 2.494 -3.727 418 1HD1 ILE 58 1HD1 ILE 58 -2.150 1.186 -2.982 419 2HD1 ILE 58 2HD1 ILE 58 -1.573 2.859 -2.766 420 3HD1 ILE 58 3HD1 ILE 58 -3.312 2.535 -2.935 421 H ASP 59 H ASP 59 0.903 3.744 -7.471 422 HA ASP 59 HA ASP 59 3.069 1.771 -8.380 423 1HB ASP 59 1HB ASP 59 3.989 3.579 -9.849 424 2HB ASP 59 2HB ASP 59 2.347 3.132 -10.291 425 H PHE 60 H PHE 60 5.323 3.171 -8.242 426 HA PHE 60 HA PHE 60 5.936 2.608 -5.411 427 1HB PHE 60 1HB PHE 60 7.416 2.251 -7.540 428 2HB PHE 60 2HB PHE 60 7.828 3.930 -7.440 429 HD1 PHE 60 HD1 PHE 60 8.481 4.629 -4.768 430 HD2 PHE 60 HD2 PHE 60 9.189 0.864 -6.711 431 HE1 PHE 60 HE1 PHE 60 10.375 4.211 -3.266 432 HE2 PHE 60 HE2 PHE 60 11.085 0.445 -5.187 433 HZ PHE 60 HZ PHE 60 11.657 2.099 -3.436 434 H ASP 61 H ASP 61 5.427 5.612 -7.122 435 HA ASP 61 HA ASP 61 6.308 7.648 -5.167 436 1HB ASP 61 1HB ASP 61 5.561 8.611 -7.201 437 2HB ASP 61 2HB ASP 61 4.299 7.421 -7.454 438 H GLU 62 H GLU 62 2.981 6.954 -5.811 439 HA GLU 62 HA GLU 62 1.495 7.333 -3.416 440 1HB GLU 62 1HB GLU 62 1.072 4.876 -5.166 441 2HB GLU 62 2HB GLU 62 -0.105 5.671 -4.166 442 1HG GLU 62 1HG GLU 62 1.094 7.439 -6.329 443 2HG GLU 62 2HG GLU 62 0.160 6.077 -6.918 444 H PHE 63 H PHE 63 3.832 4.717 -3.874 445 HA PHE 63 HA PHE 63 3.037 3.066 -1.484 446 1HB PHE 63 1HB PHE 63 4.433 2.281 -3.511 447 2HB PHE 63 2HB PHE 63 5.766 3.202 -2.904 448 HD1 PHE 63 HD1 PHE 63 3.717 0.166 -2.132 449 HD2 PHE 63 HD2 PHE 63 7.041 2.573 -0.838 450 HE1 PHE 63 HE1 PHE 63 4.613 -1.736 -0.878 451 HE2 PHE 63 HE2 PHE 63 7.951 0.630 0.384 452 HZ PHE 63 HZ PHE 63 6.786 -1.547 0.287 453 H LEU 64 H LEU 64 5.813 5.261 -2.036 454 HA LEU 64 HA LEU 64 6.638 5.770 0.652 455 1HB LEU 64 1HB LEU 64 6.624 7.623 -1.781 456 2HB LEU 64 2HB LEU 64 7.339 8.128 -0.269 457 HG LEU 64 HG LEU 64 8.259 5.501 -1.544 458 1HD1 LEU 64 1HD1 LEU 64 9.156 8.339 -2.405 459 2HD1 LEU 64 2HD1 LEU 64 10.020 6.830 -2.809 460 3HD1 LEU 64 3HD1 LEU 64 8.374 7.080 -3.400 461 1HD2 LEU 64 1HD2 LEU 64 9.695 7.626 0.214 462 2HD2 LEU 64 2HD2 LEU 64 9.208 5.979 0.706 463 3HD2 LEU 64 3HD2 LEU 64 10.482 6.196 -0.500 464 H LYS 65 H LYS 65 4.018 7.591 -1.016 465 HA LYS 65 HA LYS 65 3.072 9.083 1.313 466 1HB LYS 65 1HB LYS 65 1.972 9.950 -0.419 467 2HB LYS 65 2HB LYS 65 2.491 8.652 -1.477 468 1HG LYS 65 1HG LYS 65 0.284 8.018 -1.698 469 2HG LYS 65 2HG LYS 65 0.183 7.698 0.044 470 1HD LYS 65 1HD LYS 65 -1.481 9.418 -0.652 471 2HD LYS 65 2HD LYS 65 -0.376 10.046 0.574 472 1HE LYS 65 1HE LYS 65 0.565 11.623 -0.975 473 2HE LYS 65 2HE LYS 65 0.299 10.556 -2.366 474 1HZ LYS 65 1HZ LYS 65 -2.182 11.552 -0.957 475 2HZ LYS 65 2HZ LYS 65 -1.380 12.609 -1.904 476 3HZ LYS 65 3HZ LYS 65 -1.959 11.262 -2.565 477 H MET 66 H MET 66 2.176 5.837 0.145 478 HA MET 66 HA MET 66 -0.118 5.510 1.899 479 1HB MET 66 1HB MET 66 0.190 4.390 -0.326 480 2HB MET 66 2HB MET 66 1.475 3.398 0.329 481 1HG MET 66 1HG MET 66 -1.160 3.173 1.807 482 2HG MET 66 2HG MET 66 -1.102 2.487 0.172 483 1HE MET 66 1HE MET 66 1.509 1.331 -0.507 484 2HE MET 66 2HE MET 66 1.456 -0.296 0.233 485 3HE MET 66 3HE MET 66 -0.015 0.389 -0.523 486 H MET 67 H MET 67 3.122 3.911 2.247 487 HA MET 67 HA MET 67 2.711 3.324 5.162 488 1HB MET 67 1HB MET 67 5.100 3.335 3.261 489 2HB MET 67 2HB MET 67 5.422 3.482 4.978 490 1HG MET 67 1HG MET 67 4.178 1.333 5.452 491 2HG MET 67 2HG MET 67 3.861 1.132 3.718 492 1HE MET 67 1HE MET 67 4.655 -0.922 3.606 493 2HE MET 67 2HE MET 67 6.343 -1.328 3.166 494 3HE MET 67 3HE MET 67 5.803 -1.482 4.865 495 H GLU 68 H GLU 68 4.919 5.688 3.615 496 HA GLU 68 HA GLU 68 5.241 6.982 6.293 497 1HB GLU 68 1HB GLU 68 7.027 7.983 4.170 498 2HB GLU 68 2HB GLU 68 7.391 7.374 5.756 499 1HG GLU 68 1HG GLU 68 6.679 4.996 4.334 500 2HG GLU 68 2HG GLU 68 7.500 5.954 3.116 501 H GLY 69 H GLY 69 2.933 7.676 4.430 502 1HA GLY 69 1HA GLY 69 2.860 10.569 3.792 503 2HA GLY 69 2HA GLY 69 1.461 9.582 4.231 504 H VAL 70 H VAL 70 3.717 11.939 5.371 505 HA VAL 70 HA VAL 70 2.808 11.603 8.291 506 HB VAL 70 HB VAL 70 5.327 11.039 7.696 507 1HG1 VAL 70 1HG1 VAL 70 5.487 14.131 7.920 508 2HG1 VAL 70 2HG1 VAL 70 6.883 13.026 8.012 509 3HG1 VAL 70 3HG1 VAL 70 5.962 13.152 6.511 510 1HG2 VAL 70 1HG2 VAL 70 4.421 11.129 10.055 511 2HG2 VAL 70 2HG2 VAL 70 6.053 11.775 9.981 512 3HG2 VAL 70 3HG2 VAL 70 4.659 12.889 10.107 513 H GLN 71 H GLN 71 1.659 13.127 6.034 514 HA GLN 71 HA GLN 71 2.511 16.002 6.231 515 1HB GLN 71 1HB GLN 71 1.865 14.881 4.075 516 2HB GLN 71 2HB GLN 71 0.205 14.736 4.648 517 1HG GLN 71 1HG GLN 71 -0.197 17.090 4.480 518 2HG GLN 71 2HG GLN 71 1.489 17.538 4.659 519 1HE2 GLN 71 1HE2 GLN 71 0.050 16.695 0.930 520 2HE2 GLN 71 2HE2 GLN 71 -0.816 16.061 2.436 521 1HN NH2 72 1HN NH2 72 2.090 16.688 8.414 522 2HN NH2 72 2HN NH2 72 0.431 16.916 9.029 No H/Q in entry = 522 Start of MODEL 14 1 1H ACE 1 1HH3 ACE 1 16.958 11.563 -5.911 2 2H ACE 1 2HH3 ACE 1 18.234 10.716 -4.965 3 3H ACE 1 3HH3 ACE 1 18.189 10.591 -6.747 4 H LYS 2 H LYS 2 15.614 10.117 -4.227 5 HA LYS 2 HA LYS 2 15.057 7.947 -3.206 6 1HB LYS 2 1HB LYS 2 14.138 7.360 -6.044 7 2HB LYS 2 2HB LYS 2 13.310 6.971 -4.552 8 1HG LYS 2 1HG LYS 2 13.499 9.680 -6.057 9 2HG LYS 2 2HG LYS 2 12.063 8.787 -5.629 10 1HD LYS 2 1HD LYS 2 12.983 9.303 -3.074 11 2HD LYS 2 2HD LYS 2 13.758 10.655 -3.903 12 1HE LYS 2 1HE LYS 2 11.705 11.648 -3.397 13 2HE LYS 2 2HE LYS 2 11.327 11.061 -5.027 14 1HZ LYS 2 1HZ LYS 2 10.745 9.218 -2.671 15 2HZ LYS 2 2HZ LYS 2 9.747 10.451 -2.989 16 3HZ LYS 2 3HZ LYS 2 9.906 9.359 -4.099 17 H SER 3 H SER 3 17.556 7.395 -3.188 18 HA SER 3 HA SER 3 17.829 4.612 -4.381 19 1HB SER 3 1HB SER 3 19.632 6.588 -3.578 20 2HB SER 3 2HB SER 3 19.751 5.466 -2.244 21 HG SER 3 HG SER 3 20.975 4.352 -3.501 22 H GLU 4 H GLU 4 15.517 5.202 -2.720 23 HA GLU 4 HA GLU 4 15.548 3.933 -0.067 24 1HB GLU 4 1HB GLU 4 13.392 4.509 -2.048 25 2HB GLU 4 2HB GLU 4 13.138 3.192 -0.929 26 1HG GLU 4 1HG GLU 4 12.129 5.449 -0.199 27 2HG GLU 4 2HG GLU 4 13.158 4.710 1.022 28 H GLU 5 H GLU 5 16.973 2.330 0.006 29 HA GLU 5 HA GLU 5 16.915 0.086 -1.937 30 1HB GLU 5 1HB GLU 5 18.929 1.379 -0.751 31 2HB GLU 5 2HB GLU 5 18.802 0.105 0.424 32 1HG GLU 5 1HG GLU 5 19.138 -1.614 -1.517 33 2HG GLU 5 2HG GLU 5 19.441 -0.260 -2.590 34 H GLU 6 H GLU 6 17.166 -0.297 1.614 35 HA GLU 6 HA GLU 6 15.799 -2.841 1.828 36 1HB GLU 6 1HB GLU 6 16.454 -2.702 3.917 37 2HB GLU 6 2HB GLU 6 17.096 -1.122 3.586 38 1HG GLU 6 1HG GLU 6 15.744 -0.308 5.263 39 2HG GLU 6 2HG GLU 6 14.346 -0.584 4.240 40 H LEU 7 H LEU 7 14.350 0.378 1.660 41 HA LEU 7 HA LEU 7 11.512 -0.479 1.817 42 1HB LEU 7 1HB LEU 7 12.842 1.922 0.452 43 2HB LEU 7 2HB LEU 7 11.111 1.689 0.472 44 HG LEU 7 HG LEU 7 12.561 3.147 2.344 45 1HD1 LEU 7 1HD1 LEU 7 10.137 3.377 1.837 46 2HD1 LEU 7 2HD1 LEU 7 9.768 1.863 2.702 47 3HD1 LEU 7 3HD1 LEU 7 10.391 3.280 3.585 48 1HD2 LEU 7 1HD2 LEU 7 11.836 0.439 3.689 49 2HD2 LEU 7 2HD2 LEU 7 13.465 1.155 3.539 50 3HD2 LEU 7 3HD2 LEU 7 12.257 1.938 4.560 51 H ALA 8 H ALA 8 13.806 -0.367 -0.909 52 HA ALA 8 HA ALA 8 12.011 -1.372 -2.953 53 1HB ALA 8 1HB ALA 8 15.086 -1.589 -2.677 54 2HB ALA 8 2HB ALA 8 14.172 -1.873 -4.172 55 3HB ALA 8 3HB ALA 8 14.170 -0.265 -3.435 56 H ASN 9 H ASN 9 14.637 -3.528 -1.644 57 HA ASN 9 HA ASN 9 13.719 -6.066 -1.632 58 1HB ASN 9 1HB ASN 9 14.360 -4.672 1.062 59 2HB ASN 9 2HB ASN 9 14.437 -6.387 0.768 60 1HD2 ASN 9 1HD2 ASN 9 17.874 -4.997 0.436 61 2HD2 ASN 9 2HD2 ASN 9 16.595 -5.009 1.731 62 H ALA 10 H ALA 10 12.159 -3.838 0.703 63 HA ALA 10 HA ALA 10 10.095 -5.766 1.526 64 1HB ALA 10 1HB ALA 10 11.089 -3.989 2.979 65 2HB ALA 10 2HB ALA 10 10.293 -2.715 2.019 66 3HB ALA 10 3HB ALA 10 9.319 -3.869 2.955 67 H PHE 11 H PHE 11 9.838 -2.916 -0.641 68 HA PHE 11 HA PHE 11 7.014 -3.148 -1.276 69 1HB PHE 11 1HB PHE 11 8.417 -1.143 -1.717 70 2HB PHE 11 2HB PHE 11 9.326 -1.991 -2.921 71 HD1 PHE 11 HD1 PHE 11 8.047 -2.826 -5.112 72 HD2 PHE 11 HD2 PHE 11 6.414 0.060 -2.371 73 HE1 PHE 11 HE1 PHE 11 6.551 -1.978 -6.877 74 HE2 PHE 11 HE2 PHE 11 4.942 0.906 -4.153 75 HZ PHE 11 HZ PHE 11 4.982 -0.125 -6.389 76 H ARG 12 H ARG 12 9.779 -4.634 -2.996 77 HA ARG 12 HA ARG 12 8.080 -6.155 -4.853 78 1HB ARG 12 1HB ARG 12 10.293 -5.610 -5.576 79 2HB ARG 12 2HB ARG 12 11.055 -6.281 -4.139 80 1HG ARG 12 1HG ARG 12 11.514 -7.943 -5.765 81 2HG ARG 12 2HG ARG 12 10.098 -8.630 -4.958 82 1HD ARG 12 1HD ARG 12 8.769 -8.471 -6.845 83 2HD ARG 12 2HD ARG 12 9.339 -6.822 -7.227 84 HE ARG 12 HE ARG 12 10.469 -9.333 -8.346 85 1HH1 ARG 12 2HH1 ARG 12 11.345 -6.090 -7.499 86 2HH1 ARG 12 1HH1 ARG 12 12.719 -6.059 -8.706 87 1HH2 ARG 12 1HH2 ARG 12 12.021 -9.288 -9.671 88 2HH2 ARG 12 2HH2 ARG 12 13.071 -7.811 -9.880 89 H ILE 13 H ILE 13 9.347 -6.924 -1.670 90 HA ILE 13 HA ILE 13 8.691 -9.841 -1.619 91 HB ILE 13 HB ILE 13 9.292 -7.787 0.556 92 1HG1 ILE 13 1HG1 ILE 13 11.233 -8.876 -0.779 93 2HG1 ILE 13 2HG1 ILE 13 11.338 -8.938 0.959 94 1HG2 ILE 13 1HG2 ILE 13 7.558 -9.319 1.567 95 2HG2 ILE 13 2HG2 ILE 13 8.500 -10.748 1.079 96 3HG2 ILE 13 3HG2 ILE 13 9.120 -9.625 2.306 97 1HD1 ILE 13 1HD1 ILE 13 10.542 -11.325 1.023 98 2HD1 ILE 13 2HD1 ILE 13 10.480 -11.346 -0.757 99 3HD1 ILE 13 3HD1 ILE 13 12.031 -11.115 0.074 100 H PHE 14 H PHE 14 6.939 -6.849 -0.989 101 HA PHE 14 HA PHE 14 4.443 -8.023 0.079 102 1HB PHE 14 1HB PHE 14 5.156 -5.325 -1.211 103 2HB PHE 14 2HB PHE 14 3.496 -5.715 -0.905 104 HD1 PHE 14 HD1 PHE 14 4.252 -7.352 1.789 105 HD2 PHE 14 HD2 PHE 14 5.042 -3.383 0.350 106 HE1 PHE 14 HE1 PHE 14 4.427 -6.541 4.108 107 HE2 PHE 14 HE2 PHE 14 5.239 -2.583 2.670 108 HZ PHE 14 HZ PHE 14 4.962 -4.159 4.553 109 H ASP 15 H ASP 15 4.902 -6.546 -3.180 110 HA ASP 15 HA ASP 15 2.727 -7.926 -4.472 111 1HB ASP 15 1HB ASP 15 3.763 -5.840 -5.310 112 2HB ASP 15 2HB ASP 15 5.275 -6.662 -5.666 113 H LYS 16 H LYS 16 2.444 -9.781 -5.588 114 HA LYS 16 HA LYS 16 4.697 -11.796 -5.662 115 1HB LYS 16 1HB LYS 16 3.786 -13.409 -4.341 116 2HB LYS 16 2HB LYS 16 2.990 -12.065 -3.571 117 1HG LYS 16 1HG LYS 16 0.981 -13.120 -3.964 118 2HG LYS 16 2HG LYS 16 1.211 -12.875 -5.690 119 1HD LYS 16 1HD LYS 16 0.820 -15.250 -5.375 120 2HD LYS 16 2HD LYS 16 2.502 -15.018 -5.845 121 1HE LYS 16 1HE LYS 16 3.193 -16.287 -4.132 122 2HE LYS 16 2HE LYS 16 2.691 -15.010 -3.005 123 1HZ LYS 16 1HZ LYS 16 0.271 -16.067 -3.522 124 2HZ LYS 16 2HZ LYS 16 1.104 -17.450 -3.831 125 3HZ LYS 16 3HZ LYS 16 1.187 -16.725 -2.348 126 H ASN 17 H ASN 17 2.706 -10.071 -7.506 127 HA ASN 17 HA ASN 17 2.910 -12.249 -9.634 128 1HB ASN 17 1HB ASN 17 1.307 -10.852 -10.972 129 2HB ASN 17 2HB ASN 17 0.655 -11.483 -9.483 130 1HD2 ASN 17 1HD2 ASN 17 0.308 -8.085 -8.170 131 2HD2 ASN 17 2HD2 ASN 17 0.610 -9.766 -7.622 132 H ALA 18 H ALA 18 3.857 -8.904 -8.967 133 HA ALA 18 HA ALA 18 6.023 -7.947 -9.366 134 1HB ALA 18 1HB ALA 18 6.691 -10.367 -9.112 135 2HB ALA 18 2HB ALA 18 6.460 -10.608 -10.858 136 3HB ALA 18 3HB ALA 18 7.735 -9.519 -10.286 137 H ASP 19 H ASP 19 3.880 -7.280 -11.281 138 HA ASP 19 HA ASP 19 5.271 -6.431 -13.770 139 1HB ASP 19 1HB ASP 19 2.731 -5.495 -12.314 140 2HB ASP 19 2HB ASP 19 3.310 -4.666 -13.752 141 H GLY 20 H GLY 20 5.933 -5.565 -10.572 142 1HA GLY 20 1HA GLY 20 7.372 -3.708 -9.800 143 2HA GLY 20 2HA GLY 20 6.976 -2.817 -11.275 144 H TYR 21 H TYR 21 4.066 -3.837 -10.027 145 HA TYR 21 HA TYR 21 3.540 -1.065 -8.782 146 1HB TYR 21 1HB TYR 21 1.637 -2.825 -10.458 147 2HB TYR 21 2HB TYR 21 1.149 -1.381 -9.621 148 HD1 TYR 21 HD1 TYR 21 3.361 0.582 -10.259 149 HD2 TYR 21 HD2 TYR 21 1.520 -2.400 -12.753 150 HE1 TYR 21 HE1 TYR 21 3.900 1.906 -12.277 151 HE2 TYR 21 HE2 TYR 21 2.099 -1.074 -14.748 152 HH TYR 21 HH TYR 21 4.240 1.398 -14.786 153 H ILE 22 H ILE 22 2.060 -0.911 -7.025 154 HA ILE 22 HA ILE 22 0.991 -3.497 -5.792 155 HB ILE 22 HB ILE 22 1.143 -0.684 -4.580 156 1HG1 ILE 22 1HG1 ILE 22 3.003 -3.074 -4.372 157 2HG1 ILE 22 2HG1 ILE 22 3.373 -1.371 -4.359 158 1HG2 ILE 22 1HG2 ILE 22 -0.841 -1.952 -3.642 159 2HG2 ILE 22 2HG2 ILE 22 0.209 -3.316 -3.213 160 3HG2 ILE 22 3HG2 ILE 22 0.383 -1.739 -2.403 161 1HD1 ILE 22 1HD1 ILE 22 2.480 -1.140 -1.984 162 2HD1 ILE 22 2HD1 ILE 22 2.293 -2.912 -1.930 163 3HD1 ILE 22 3HD1 ILE 22 3.905 -2.197 -2.148 164 H ASP 23 H ASP 23 -1.206 -3.806 -5.381 165 HA ASP 23 HA ASP 23 -3.084 -2.169 -7.153 166 1HB ASP 23 1HB ASP 23 -4.057 -4.269 -8.088 167 2HB ASP 23 2HB ASP 23 -2.348 -4.124 -8.472 168 H ILE 24 H ILE 24 -5.447 -2.806 -6.742 169 HA ILE 24 HA ILE 24 -5.956 -2.000 -3.883 170 HB ILE 24 HB ILE 24 -7.262 -1.261 -6.097 171 1HG1 ILE 24 1HG1 ILE 24 -9.162 -0.450 -4.775 172 2HG1 ILE 24 2HG1 ILE 24 -8.976 -1.704 -3.579 173 1HG2 ILE 24 1HG2 ILE 24 -8.161 -3.554 -6.712 174 2HG2 ILE 24 2HG2 ILE 24 -9.013 -3.650 -5.158 175 3HG2 ILE 24 3HG2 ILE 24 -9.482 -2.446 -6.385 176 1HD1 ILE 24 1HD1 ILE 24 -6.736 -0.741 -2.843 177 2HD1 ILE 24 2HD1 ILE 24 -7.032 0.652 -3.914 178 3HD1 ILE 24 3HD1 ILE 24 -8.135 0.328 -2.560 179 H GLU 25 H GLU 25 -6.195 -4.920 -5.822 180 HA GLU 25 HA GLU 25 -7.751 -6.505 -3.805 181 1HB GLU 25 1HB GLU 25 -6.321 -7.921 -6.027 182 2HB GLU 25 2HB GLU 25 -7.884 -8.227 -5.331 183 1HG GLU 25 1HG GLU 25 -8.515 -5.852 -6.573 184 2HG GLU 25 2HG GLU 25 -7.142 -6.282 -7.576 185 H GLU 26 H GLU 26 -4.359 -6.090 -4.585 186 HA GLU 26 HA GLU 26 -3.388 -8.085 -2.563 187 1HB GLU 26 1HB GLU 26 -1.924 -6.042 -4.279 188 2HB GLU 26 2HB GLU 26 -1.100 -6.965 -3.060 189 1HG GLU 26 1HG GLU 26 -2.046 -9.123 -4.364 190 2HG GLU 26 2HG GLU 26 -2.358 -8.003 -5.678 191 H LEU 27 H LEU 27 -4.367 -4.797 -2.440 192 HA LEU 27 HA LEU 27 -2.782 -3.786 -0.231 193 1HB LEU 27 1HB LEU 27 -4.045 -2.372 -1.810 194 2HB LEU 27 2HB LEU 27 -5.573 -2.954 -1.203 195 HG LEU 27 HG LEU 27 -4.718 -0.585 -0.440 196 1HD1 LEU 27 1HD1 LEU 27 -6.779 -1.694 0.427 197 2HD1 LEU 27 2HD1 LEU 27 -5.832 -2.571 1.661 198 3HD1 LEU 27 3HD1 LEU 27 -5.957 -0.789 1.695 199 1HD2 LEU 27 1HD2 LEU 27 -3.190 -2.334 1.629 200 2HD2 LEU 27 2HD2 LEU 27 -2.446 -1.260 0.407 201 3HD2 LEU 27 3HD2 LEU 27 -3.425 -0.566 1.704 202 H GLY 28 H GLY 28 -6.260 -4.465 0.155 203 1HA GLY 28 1HA GLY 28 -6.790 -5.057 2.856 204 2HA GLY 28 2HA GLY 28 -7.297 -6.154 1.566 205 H GLU 29 H GLU 29 -5.236 -7.562 0.765 206 HA GLU 29 HA GLU 29 -4.979 -9.455 3.073 207 1HB GLU 29 1HB GLU 29 -4.478 -9.628 0.110 208 2HB GLU 29 2HB GLU 29 -3.620 -10.753 1.120 209 1HG GLU 29 1HG GLU 29 -6.676 -10.531 1.434 210 2HG GLU 29 2HG GLU 29 -6.017 -11.402 0.061 211 H ILE 30 H ILE 30 -2.874 -7.179 1.501 212 HA ILE 30 HA ILE 30 -0.274 -7.889 2.774 213 HB ILE 30 HB ILE 30 -1.391 -5.223 1.776 214 1HG1 ILE 30 1HG1 ILE 30 -0.439 -5.687 -0.242 215 2HG1 ILE 30 2HG1 ILE 30 1.119 -5.943 0.496 216 1HG2 ILE 30 1HG2 ILE 30 0.171 -4.708 3.686 217 2HG2 ILE 30 2HG2 ILE 30 1.447 -5.701 2.935 218 3HG2 ILE 30 3HG2 ILE 30 0.879 -4.197 2.157 219 1HD1 ILE 30 1HD1 ILE 30 -0.939 -8.229 0.176 220 2HD1 ILE 30 2HD1 ILE 30 0.510 -7.932 -0.808 221 3HD1 ILE 30 3HD1 ILE 30 0.682 -8.354 0.908 222 H LEU 31 H LEU 31 -2.852 -5.606 3.748 223 HA LEU 31 HA LEU 31 -1.844 -5.069 6.520 224 1HB LEU 31 1HB LEU 31 -4.782 -4.836 5.887 225 2HB LEU 31 2HB LEU 31 -3.770 -3.798 6.861 226 HG LEU 31 HG LEU 31 -2.908 -3.632 4.046 227 1HD1 LEU 31 1HD1 LEU 31 -5.903 -3.086 4.598 228 2HD1 LEU 31 2HD1 LEU 31 -5.007 -2.554 3.151 229 3HD1 LEU 31 3HD1 LEU 31 -5.202 -4.280 3.470 230 1HD2 LEU 31 1HD2 LEU 31 -4.132 -1.557 6.004 231 2HD2 LEU 31 2HD2 LEU 31 -2.397 -1.819 5.670 232 3HD2 LEU 31 3HD2 LEU 31 -3.444 -1.167 4.405 233 H ARG 32 H ARG 32 -3.609 -7.656 5.033 234 HA ARG 32 HA ARG 32 -4.097 -8.990 7.765 235 1HB ARG 32 1HB ARG 32 -5.865 -7.878 5.867 236 2HB ARG 32 2HB ARG 32 -5.981 -9.601 5.518 237 1HG ARG 32 1HG ARG 32 -7.661 -9.353 7.158 238 2HG ARG 32 2HG ARG 32 -6.289 -9.811 8.185 239 1HD ARG 32 1HD ARG 32 -6.392 -6.850 7.673 240 2HD ARG 32 2HD ARG 32 -7.865 -7.450 8.468 241 HE ARG 32 HE ARG 32 -5.176 -7.305 9.717 242 1HH1 ARG 32 2HH1 ARG 32 -8.086 -9.202 9.793 243 2HH1 ARG 32 1HH1 ARG 32 -7.779 -9.739 11.512 244 1HH2 ARG 32 1HH2 ARG 32 -4.848 -7.958 11.640 245 2HH2 ARG 32 2HH2 ARG 32 -6.029 -9.057 12.488 246 H ALA 33 H ALA 33 -1.742 -9.433 5.906 247 HA ALA 33 HA ALA 33 -2.004 -12.455 5.745 248 1HB ALA 33 1HB ALA 33 -1.017 -11.204 3.832 249 2HB ALA 33 2HB ALA 33 0.260 -10.535 4.884 250 3HB ALA 33 3HB ALA 33 0.191 -12.280 4.553 251 H THR 34 H THR 34 0.357 -10.193 7.223 252 HA THR 34 HA THR 34 1.670 -12.332 8.787 253 HB THR 34 HB THR 34 2.917 -10.233 9.840 254 HG1 THR 34 HG1 THR 34 1.909 -8.510 9.153 255 1HG2 THR 34 2HG2 THR 34 3.826 -11.874 8.067 256 2HG2 THR 34 3HG2 THR 34 3.161 -10.808 6.802 257 3HG2 THR 34 1HG2 THR 34 4.444 -10.214 7.870 258 H GLY 35 H GLY 35 1.387 -12.964 10.814 259 1HA GLY 35 1HA GLY 35 1.477 -12.360 13.219 260 2HA GLY 35 2HA GLY 35 0.406 -10.991 12.901 261 1HN NH2 36 1HN NH2 36 0.448 -13.498 14.861 262 2HN NH2 36 2HN NH2 36 -1.224 -14.112 14.773 263 1H ACE 37 1HH3 ACE 37 -14.151 -5.863 14.109 264 2H ACE 37 2HH3 ACE 37 -12.495 -6.492 14.408 265 3H ACE 37 3HH3 ACE 37 -12.860 -4.767 14.670 266 H VAL 38 H VAL 38 -13.440 -7.045 11.914 267 HA VAL 38 HA VAL 38 -11.660 -5.240 10.182 268 HB VAL 38 HB VAL 38 -10.137 -6.961 10.586 269 1HG1 VAL 38 1HG1 VAL 38 -12.401 -9.069 10.299 270 2HG1 VAL 38 2HG1 VAL 38 -10.677 -9.472 10.470 271 3HG1 VAL 38 3HG1 VAL 38 -11.526 -8.650 11.784 272 1HG2 VAL 38 1HG2 VAL 38 -10.383 -6.646 8.085 273 2HG2 VAL 38 2HG2 VAL 38 -9.935 -8.323 8.466 274 3HG2 VAL 38 3HG2 VAL 38 -11.618 -7.925 8.040 275 H THR 39 H THR 39 -12.392 -4.961 8.102 276 HA THR 39 HA THR 39 -14.771 -6.351 7.001 277 HB THR 39 HB THR 39 -15.266 -3.385 7.622 278 HG1 THR 39 HG1 THR 39 -16.213 -3.907 9.384 279 1HG2 THR 39 2HG2 THR 39 -17.129 -5.700 6.735 280 2HG2 THR 39 3HG2 THR 39 -17.652 -4.035 7.088 281 3HG2 THR 39 1HG2 THR 39 -16.577 -4.354 5.711 282 H GLU 40 H GLU 40 -15.041 -5.942 4.819 283 HA GLU 40 HA GLU 40 -12.699 -4.795 3.336 284 1HB GLU 40 1HB GLU 40 -13.334 -5.978 1.518 285 2HB GLU 40 2HB GLU 40 -14.001 -6.970 2.778 286 1HG GLU 40 1HG GLU 40 -16.329 -6.101 2.287 287 2HG GLU 40 2HG GLU 40 -15.694 -4.980 1.097 288 H GLU 41 H GLU 41 -16.098 -3.779 3.769 289 HA GLU 41 HA GLU 41 -16.003 -1.349 2.286 290 1HB GLU 41 1HB GLU 41 -17.553 -2.075 4.795 291 2HB GLU 41 2HB GLU 41 -17.728 -0.504 4.075 292 1HG GLU 41 1HG GLU 41 -19.028 -1.307 2.282 293 2HG GLU 41 2HG GLU 41 -18.131 -2.806 2.129 294 H ASP 42 H ASP 42 -14.787 -1.783 5.582 295 HA ASP 42 HA ASP 42 -13.825 0.962 6.129 296 1HB ASP 42 1HB ASP 42 -13.113 -1.835 7.159 297 2HB ASP 42 2HB ASP 42 -12.121 -0.459 7.620 298 H ILE 43 H ILE 43 -12.446 -1.726 4.280 299 HA ILE 43 HA ILE 43 -9.751 -0.469 3.811 300 HB ILE 43 HB ILE 43 -11.143 -2.937 2.717 301 1HG1 ILE 43 1HG1 ILE 43 -9.119 -4.159 3.486 302 2HG1 ILE 43 2HG1 ILE 43 -8.291 -2.672 3.863 303 1HG2 ILE 43 1HG2 ILE 43 -10.112 -1.908 0.654 304 2HG2 ILE 43 2HG2 ILE 43 -8.550 -1.749 1.481 305 3HG2 ILE 43 3HG2 ILE 43 -9.221 -3.355 1.103 306 1HD1 ILE 43 1HD1 ILE 43 -9.947 -2.121 5.696 307 2HD1 ILE 43 2HD1 ILE 43 -10.726 -3.705 5.440 308 3HD1 ILE 43 3HD1 ILE 43 -9.032 -3.621 5.970 309 H GLU 44 H GLU 44 -12.901 -0.432 2.263 310 HA GLU 44 HA GLU 44 -12.046 0.916 -0.275 311 1HB GLU 44 1HB GLU 44 -13.995 0.212 -0.995 312 2HB GLU 44 2HB GLU 44 -14.375 -0.434 0.572 313 1HG GLU 44 1HG GLU 44 -16.207 0.962 0.597 314 2HG GLU 44 2HG GLU 44 -15.126 2.323 0.831 315 H ASP 45 H ASP 45 -13.213 1.981 2.866 316 HA ASP 45 HA ASP 45 -13.421 4.907 2.205 317 1HB ASP 45 1HB ASP 45 -13.637 3.206 4.731 318 2HB ASP 45 2HB ASP 45 -13.344 4.930 4.912 319 H LEU 46 H LEU 46 -10.899 2.736 3.350 320 HA LEU 46 HA LEU 46 -8.821 4.798 3.840 321 1HB LEU 46 1HB LEU 46 -8.791 2.474 4.738 322 2HB LEU 46 2HB LEU 46 -8.543 1.815 3.138 323 HG LEU 46 HG LEU 46 -6.443 1.872 4.566 324 1HD1 LEU 46 1HD1 LEU 46 -6.681 2.178 1.861 325 2HD1 LEU 46 2HD1 LEU 46 -5.794 3.665 2.224 326 3HD1 LEU 46 3HD1 LEU 46 -5.095 2.084 2.678 327 1HD2 LEU 46 1HD2 LEU 46 -6.773 4.937 4.321 328 2HD2 LEU 46 2HD2 LEU 46 -6.519 3.949 5.791 329 3HD2 LEU 46 3HD2 LEU 46 -5.204 4.137 4.629 330 H MET 47 H MET 47 -9.135 2.679 0.979 331 HA MET 47 HA MET 47 -7.190 4.336 -0.566 332 1HB MET 47 1HB MET 47 -8.199 1.629 -0.663 333 2HB MET 47 2HB MET 47 -8.544 2.351 -2.225 334 1HG MET 47 1HG MET 47 -5.718 2.694 -1.094 335 2HG MET 47 2HG MET 47 -6.197 1.161 -1.846 336 1HE MET 47 1HE MET 47 -3.850 2.634 -2.920 337 2HE MET 47 2HE MET 47 -4.543 1.239 -3.797 338 3HE MET 47 3HE MET 47 -4.142 2.735 -4.691 339 H LYS 48 H LYS 48 -10.515 4.840 -0.097 340 HA LYS 48 HA LYS 48 -10.560 6.709 -2.485 341 1HB LYS 48 1HB LYS 48 -12.527 6.461 -0.148 342 2HB LYS 48 2HB LYS 48 -12.835 7.346 -1.611 343 1HG LYS 48 1HG LYS 48 -12.202 4.339 -1.877 344 2HG LYS 48 2HG LYS 48 -13.690 4.755 -1.086 345 1HD LYS 48 1HD LYS 48 -13.427 6.328 -3.578 346 2HD LYS 48 2HD LYS 48 -13.296 4.642 -3.953 347 1HE LYS 48 1HE LYS 48 -15.577 4.180 -3.083 348 2HE LYS 48 2HE LYS 48 -15.611 5.682 -2.175 349 1HZ LYS 48 1HZ LYS 48 -15.239 6.112 -5.096 350 2HZ LYS 48 2HZ LYS 48 -16.686 5.496 -4.659 351 3HZ LYS 48 3HZ LYS 48 -16.261 6.897 -4.056 352 H ASP 49 H ASP 49 -10.055 6.820 1.016 353 HA ASP 49 HA ASP 49 -10.052 9.837 1.210 354 1HB ASP 49 1HB ASP 49 -10.859 8.349 3.102 355 2HB ASP 49 2HB ASP 49 -9.221 7.753 3.331 356 H SER 50 H SER 50 -7.591 7.278 1.059 357 HA SER 50 HA SER 50 -5.315 9.304 1.313 358 1HB SER 50 1HB SER 50 -5.434 6.239 1.544 359 2HB SER 50 2HB SER 50 -3.895 7.051 1.269 360 HG SER 50 HG SER 50 -4.132 6.894 3.432 361 H ASP 51 H ASP 51 -6.868 7.125 -0.996 362 HA ASP 51 HA ASP 51 -4.992 7.550 -3.225 363 1HB ASP 51 1HB ASP 51 -6.827 5.706 -2.859 364 2HB ASP 51 2HB ASP 51 -7.975 6.859 -3.526 365 H LYS 52 H LYS 52 -7.360 8.338 -5.075 366 HA LYS 52 HA LYS 52 -8.395 10.913 -4.070 367 1HB LYS 52 1HB LYS 52 -7.582 12.400 -5.878 368 2HB LYS 52 2HB LYS 52 -6.317 11.913 -4.792 369 1HG LYS 52 1HG LYS 52 -6.702 10.324 -7.419 370 2HG LYS 52 2HG LYS 52 -6.088 11.943 -7.534 371 1HD LYS 52 1HD LYS 52 -4.435 10.960 -5.509 372 2HD LYS 52 2HD LYS 52 -4.633 9.514 -6.441 373 1HE LYS 52 1HE LYS 52 -4.043 11.427 -8.482 374 2HE LYS 52 2HE LYS 52 -3.177 12.101 -7.103 375 1HZ LYS 52 1HZ LYS 52 -2.304 9.552 -6.828 376 2HZ LYS 52 2HZ LYS 52 -2.709 9.442 -8.405 377 3HZ LYS 52 3HZ LYS 52 -1.601 10.496 -7.993 378 H ASN 53 H ASN 53 -8.521 11.280 -7.362 379 HA ASN 53 HA ASN 53 -11.353 10.642 -7.434 380 1HB ASN 53 1HB ASN 53 -11.140 11.356 -9.922 381 2HB ASN 53 2HB ASN 53 -10.606 12.514 -8.736 382 1HD2 ASN 53 1HD2 ASN 53 -7.387 12.683 -10.170 383 2HD2 ASN 53 2HD2 ASN 53 -8.582 13.336 -8.961 384 H ASN 54 H ASN 54 -9.064 8.332 -7.564 385 HA ASN 54 HA ASN 54 -9.581 5.986 -7.494 386 1HB ASN 54 1HB ASN 54 -12.322 7.197 -8.210 387 2HB ASN 54 2HB ASN 54 -12.120 5.467 -8.240 388 1HD2 ASN 54 1HD2 ASN 54 -11.260 6.511 -4.469 389 2HD2 ASN 54 2HD2 ASN 54 -10.095 6.791 -5.839 390 H ASP 55 H ASP 55 -8.549 7.341 -9.964 391 HA ASP 55 HA ASP 55 -8.496 4.653 -11.424 392 1HB ASP 55 1HB ASP 55 -8.047 5.762 -13.579 393 2HB ASP 55 2HB ASP 55 -9.560 6.358 -12.913 394 H GLY 56 H GLY 56 -6.852 4.380 -9.516 395 1HA GLY 56 1HA GLY 56 -4.174 5.699 -10.029 396 2HA GLY 56 2HA GLY 56 -4.932 6.129 -8.487 397 H ARG 57 H ARG 57 -5.044 2.798 -9.851 398 HA ARG 57 HA ARG 57 -3.538 1.241 -8.135 399 1HB ARG 57 1HB ARG 57 -2.239 0.558 -10.493 400 2HB ARG 57 2HB ARG 57 -3.808 -0.049 -9.966 401 1HG ARG 57 1HG ARG 57 -3.750 2.600 -11.509 402 2HG ARG 57 2HG ARG 57 -3.393 1.132 -12.415 403 1HD ARG 57 1HD ARG 57 -5.762 0.565 -10.789 404 2HD ARG 57 2HD ARG 57 -5.985 2.164 -11.497 405 HE ARG 57 HE ARG 57 -5.223 1.145 -13.813 406 1HH1 ARG 57 2HH1 ARG 57 -7.054 -0.693 -11.516 407 2HH1 ARG 57 1HH1 ARG 57 -7.971 -1.547 -12.864 408 1HH2 ARG 57 1HH2 ARG 57 -6.116 0.081 -15.236 409 2HH2 ARG 57 2HH2 ARG 57 -7.389 -1.188 -14.883 410 H ILE 58 H ILE 58 -1.368 0.829 -7.502 411 HA ILE 58 HA ILE 58 -0.162 3.572 -6.984 412 HB ILE 58 HB ILE 58 -0.125 0.989 -5.348 413 1HG1 ILE 58 1HG1 ILE 58 -1.318 3.783 -4.760 414 2HG1 ILE 58 2HG1 ILE 58 -2.222 2.345 -5.144 415 1HG2 ILE 58 1HG2 ILE 58 2.144 2.082 -5.078 416 2HG2 ILE 58 2HG2 ILE 58 1.371 3.618 -4.637 417 3HG2 ILE 58 3HG2 ILE 58 1.223 2.193 -3.582 418 1HD1 ILE 58 1HD1 ILE 58 -1.432 1.188 -3.030 419 2HD1 ILE 58 2HD1 ILE 58 -0.610 2.694 -2.546 420 3HD1 ILE 58 3HD1 ILE 58 -2.377 2.670 -2.738 421 H ASP 59 H ASP 59 1.905 4.099 -7.458 422 HA ASP 59 HA ASP 59 3.943 1.878 -8.020 423 1HB ASP 59 1HB ASP 59 5.116 3.504 -9.514 424 2HB ASP 59 2HB ASP 59 3.461 3.215 -10.031 425 H PHE 60 H PHE 60 6.341 3.051 -7.734 426 HA PHE 60 HA PHE 60 6.590 2.346 -4.870 427 1HB PHE 60 1HB PHE 60 8.263 1.910 -6.828 428 2HB PHE 60 2HB PHE 60 8.788 3.552 -6.653 429 HD1 PHE 60 HD1 PHE 60 8.455 3.423 -3.397 430 HD2 PHE 60 HD2 PHE 60 10.504 1.025 -6.313 431 HE1 PHE 60 HE1 PHE 60 10.180 2.849 -1.726 432 HE2 PHE 60 HE2 PHE 60 12.214 0.457 -4.646 433 HZ PHE 60 HZ PHE 60 12.067 1.370 -2.352 434 H ASP 61 H ASP 61 6.611 5.447 -6.539 435 HA ASP 61 HA ASP 61 7.276 7.341 -4.425 436 1HB ASP 61 1HB ASP 61 4.893 7.779 -6.403 437 2HB ASP 61 2HB ASP 61 6.206 8.826 -5.912 438 H GLU 62 H GLU 62 3.974 6.541 -5.329 439 HA GLU 62 HA GLU 62 2.511 7.348 -2.968 440 1HB GLU 62 1HB GLU 62 1.883 5.048 -4.873 441 2HB GLU 62 2HB GLU 62 0.783 5.610 -3.651 442 1HG GLU 62 1HG GLU 62 0.396 7.739 -4.799 443 2HG GLU 62 2HG GLU 62 1.831 7.579 -5.795 444 H PHE 63 H PHE 63 4.565 4.470 -3.232 445 HA PHE 63 HA PHE 63 3.602 3.034 -0.786 446 1HB PHE 63 1HB PHE 63 5.071 2.069 -2.678 447 2HB PHE 63 2HB PHE 63 6.399 2.999 -2.069 448 HD1 PHE 63 HD1 PHE 63 4.234 0.055 -1.201 449 HD2 PHE 63 HD2 PHE 63 7.737 2.342 -0.196 450 HE1 PHE 63 HE1 PHE 63 4.998 -1.743 0.304 451 HE2 PHE 63 HE2 PHE 63 8.481 0.545 1.283 452 HZ PHE 63 HZ PHE 63 7.088 -1.472 1.597 453 H LEU 64 H LEU 64 6.423 5.176 -1.339 454 HA LEU 64 HA LEU 64 7.158 5.670 1.402 455 1HB LEU 64 1HB LEU 64 7.434 7.458 -1.067 456 2HB LEU 64 2HB LEU 64 8.105 7.923 0.479 457 HG LEU 64 HG LEU 64 8.874 5.251 -0.824 458 1HD1 LEU 64 1HD1 LEU 64 10.134 8.030 -1.354 459 2HD1 LEU 64 2HD1 LEU 64 10.882 6.471 -1.795 460 3HD1 LEU 64 3HD1 LEU 64 9.342 6.938 -2.523 461 1HD2 LEU 64 1HD2 LEU 64 10.316 7.078 1.237 462 2HD2 LEU 64 2HD2 LEU 64 9.618 5.460 1.540 463 3HD2 LEU 64 3HD2 LEU 64 11.030 5.627 0.488 464 H LYS 65 H LYS 65 4.646 7.387 -0.452 465 HA LYS 65 HA LYS 65 3.794 9.159 1.769 466 1HB LYS 65 1HB LYS 65 2.433 10.001 0.146 467 2HB LYS 65 2HB LYS 65 3.556 9.164 -0.909 468 1HG LYS 65 1HG LYS 65 1.605 8.382 -1.897 469 2HG LYS 65 2HG LYS 65 1.578 7.211 -0.565 470 1HD LYS 65 1HD LYS 65 -0.567 8.180 -0.423 471 2HD LYS 65 2HD LYS 65 0.316 8.996 0.872 472 1HE LYS 65 1HE LYS 65 -1.317 10.377 -0.731 473 2HE LYS 65 2HE LYS 65 0.244 11.090 -0.286 474 1HZ LYS 65 1HZ LYS 65 0.283 9.341 -2.728 475 2HZ LYS 65 2HZ LYS 65 -0.384 10.838 -2.916 476 3HZ LYS 65 3HZ LYS 65 1.157 10.655 -2.419 477 H MET 66 H MET 66 2.558 6.006 0.596 478 HA MET 66 HA MET 66 0.402 5.601 2.395 479 1HB MET 66 1HB MET 66 1.103 4.187 0.365 480 2HB MET 66 2HB MET 66 2.284 3.390 1.382 481 1HG MET 66 1HG MET 66 0.250 2.771 2.982 482 2HG MET 66 2HG MET 66 -0.764 3.140 1.574 483 1HE MET 66 1HE MET 66 1.791 2.482 -0.561 484 2HE MET 66 2HE MET 66 1.220 0.893 -1.151 485 3HE MET 66 3HE MET 66 0.060 2.242 -0.952 486 H MET 67 H MET 67 3.590 3.996 3.004 487 HA MET 67 HA MET 67 3.333 3.608 5.870 488 1HB MET 67 1HB MET 67 5.248 2.841 4.187 489 2HB MET 67 2HB MET 67 5.990 4.386 4.551 490 1HG MET 67 1HG MET 67 7.063 2.930 6.089 491 2HG MET 67 2HG MET 67 5.845 3.730 7.101 492 1HE MET 67 1HE MET 67 6.759 1.006 4.772 493 2HE MET 67 2HE MET 67 7.010 -0.146 6.123 494 3HE MET 67 3HE MET 67 5.607 -0.338 5.027 495 H GLU 68 H GLU 68 5.330 6.207 4.438 496 HA GLU 68 HA GLU 68 5.276 7.579 7.128 497 1HB GLU 68 1HB GLU 68 7.475 7.788 6.994 498 2HB GLU 68 2HB GLU 68 7.359 6.566 5.764 499 1HG GLU 68 1HG GLU 68 8.598 7.984 4.430 500 2HG GLU 68 2HG GLU 68 7.148 8.949 4.219 501 H GLY 69 H GLY 69 3.566 8.181 4.483 502 1HA GLY 69 1HA GLY 69 3.703 11.241 4.500 503 2HA GLY 69 2HA GLY 69 2.628 10.278 3.480 504 H VAL 70 H VAL 70 1.923 8.643 6.030 505 HA VAL 70 HA VAL 70 -0.407 10.506 6.787 506 HB VAL 70 HB VAL 70 -0.447 7.500 6.239 507 1HG1 VAL 70 1HG1 VAL 70 -2.637 9.117 7.729 508 2HG1 VAL 70 2HG1 VAL 70 -2.841 7.464 7.095 509 3HG1 VAL 70 3HG1 VAL 70 -1.688 7.768 8.397 510 1HG2 VAL 70 1HG2 VAL 70 -0.968 9.008 4.278 511 2HG2 VAL 70 2HG2 VAL 70 -2.376 8.063 4.739 512 3HG2 VAL 70 3HG2 VAL 70 -2.275 9.790 5.193 513 H GLN 71 H GLN 71 0.230 11.297 8.733 514 HA GLN 71 HA GLN 71 1.146 9.504 10.952 515 1HB GLN 71 1HB GLN 71 3.305 11.259 11.041 516 2HB GLN 71 2HB GLN 71 3.333 9.587 10.485 517 1HG GLN 71 1HG GLN 71 4.377 10.799 8.707 518 2HG GLN 71 2HG GLN 71 2.760 10.552 8.074 519 1HE2 GLN 71 1HE2 GLN 71 3.976 14.357 8.949 520 2HE2 GLN 71 2HE2 GLN 71 4.857 12.893 9.656 521 1HN NH2 72 1HN NH2 72 2.000 13.030 10.624 522 2HN NH2 72 2HN NH2 72 0.848 13.608 11.857 No H/Q in entry = 522 Start of MODEL 15 1 1H ACE 1 1HH3 ACE 1 19.819 10.334 -4.368 2 2H ACE 1 2HH3 ACE 1 19.485 12.068 -4.019 3 3H ACE 1 3HH3 ACE 1 20.942 11.273 -3.360 4 H LYS 2 H LYS 2 17.359 10.947 -3.236 5 HA LYS 2 HA LYS 2 17.417 10.215 -0.365 6 1HB LYS 2 1HB LYS 2 15.035 9.992 -2.276 7 2HB LYS 2 2HB LYS 2 14.932 10.052 -0.530 8 1HG LYS 2 1HG LYS 2 15.596 12.482 -0.545 9 2HG LYS 2 2HG LYS 2 16.143 12.379 -2.198 10 1HD LYS 2 1HD LYS 2 14.091 13.267 -2.748 11 2HD LYS 2 2HD LYS 2 13.447 11.639 -2.522 12 1HE LYS 2 1HE LYS 2 13.360 12.328 0.087 13 2HE LYS 2 2HE LYS 2 13.353 13.992 -0.525 14 1HZ LYS 2 1HZ LYS 2 11.409 12.800 -2.151 15 2HZ LYS 2 2HZ LYS 2 11.295 11.866 -0.836 16 3HZ LYS 2 3HZ LYS 2 11.005 13.393 -0.652 17 H SER 3 H SER 3 17.952 8.328 0.394 18 HA SER 3 HA SER 3 18.630 5.995 -1.039 19 1HB SER 3 1HB SER 3 18.419 6.835 1.737 20 2HB SER 3 2HB SER 3 17.919 5.162 1.652 21 HG SER 3 HG SER 3 20.355 6.330 0.697 22 H GLU 4 H GLU 4 17.700 4.137 -1.766 23 HA GLU 4 HA GLU 4 14.647 4.071 -1.732 24 1HB GLU 4 1HB GLU 4 14.314 3.819 -3.941 25 2HB GLU 4 2HB GLU 4 15.618 4.978 -3.852 26 1HG GLU 4 1HG GLU 4 17.237 2.957 -4.447 27 2HG GLU 4 2HG GLU 4 15.780 2.054 -4.841 28 H GLU 5 H GLU 5 17.549 2.297 -1.339 29 HA GLU 5 HA GLU 5 16.855 -0.297 -2.163 30 1HB GLU 5 1HB GLU 5 19.089 0.760 -1.222 31 2HB GLU 5 2HB GLU 5 18.628 0.006 0.275 32 1HG GLU 5 1HG GLU 5 20.250 -1.262 -1.460 33 2HG GLU 5 2HG GLU 5 19.100 -2.189 -0.513 34 H GLU 6 H GLU 6 16.475 0.669 1.287 35 HA GLU 6 HA GLU 6 15.450 -2.035 2.052 36 1HB GLU 6 1HB GLU 6 16.294 0.421 3.477 37 2HB GLU 6 2HB GLU 6 14.946 -0.365 4.241 38 1HG GLU 6 1HG GLU 6 17.515 -0.984 4.879 39 2HG GLU 6 2HG GLU 6 16.247 -2.190 4.988 40 H LEU 7 H LEU 7 13.936 1.045 1.262 41 HA LEU 7 HA LEU 7 11.125 0.135 1.777 42 1HB LEU 7 1HB LEU 7 12.227 2.467 0.116 43 2HB LEU 7 2HB LEU 7 10.523 2.187 0.379 44 HG LEU 7 HG LEU 7 12.116 3.847 1.920 45 1HD1 LEU 7 1HD1 LEU 7 9.635 3.909 1.755 46 2HD1 LEU 7 2HD1 LEU 7 9.488 2.455 2.776 47 3HD1 LEU 7 3HD1 LEU 7 10.139 3.971 3.450 48 1HD2 LEU 7 1HD2 LEU 7 11.760 1.227 3.557 49 2HD2 LEU 7 2HD2 LEU 7 13.303 2.011 3.118 50 3HD2 LEU 7 3HD2 LEU 7 12.203 2.813 4.242 51 H ALA 8 H ALA 8 13.269 0.021 -1.070 52 HA ALA 8 HA ALA 8 11.437 -1.277 -2.888 53 1HB ALA 8 1HB ALA 8 14.510 -1.520 -2.617 54 2HB ALA 8 2HB ALA 8 13.567 -2.017 -4.036 55 3HB ALA 8 3HB ALA 8 13.611 -0.313 -3.567 56 H ASN 9 H ASN 9 14.045 -3.258 -1.315 57 HA ASN 9 HA ASN 9 12.984 -5.749 -0.946 58 1HB ASN 9 1HB ASN 9 14.179 -3.992 1.306 59 2HB ASN 9 2HB ASN 9 13.871 -5.694 1.512 60 1HD2 ASN 9 1HD2 ASN 9 16.772 -6.633 -0.336 61 2HD2 ASN 9 2HD2 ASN 9 15.207 -7.199 0.399 62 H ALA 10 H ALA 10 11.809 -3.091 1.147 63 HA ALA 10 HA ALA 10 9.814 -4.708 2.574 64 1HB ALA 10 1HB ALA 10 10.974 -2.687 3.484 65 2HB ALA 10 2HB ALA 10 10.094 -1.632 2.348 66 3HB ALA 10 3HB ALA 10 9.213 -2.516 3.612 67 H PHE 11 H PHE 11 9.324 -2.299 -0.034 68 HA PHE 11 HA PHE 11 6.468 -2.636 -0.413 69 1HB PHE 11 1HB PHE 11 7.815 -0.755 -1.312 70 2HB PHE 11 2HB PHE 11 8.647 -1.812 -2.403 71 HD1 PHE 11 HD1 PHE 11 5.860 -3.371 -3.201 72 HD2 PHE 11 HD2 PHE 11 7.146 0.734 -3.149 73 HE1 PHE 11 HE1 PHE 11 4.280 -2.840 -5.016 74 HE2 PHE 11 HE2 PHE 11 5.626 1.224 -5.020 75 HZ PHE 11 HZ PHE 11 4.184 -0.546 -5.944 76 H ARG 12 H ARG 12 9.091 -4.382 -2.126 77 HA ARG 12 HA ARG 12 7.224 -6.266 -3.422 78 1HB ARG 12 1HB ARG 12 10.257 -6.635 -3.095 79 2HB ARG 12 2HB ARG 12 9.223 -7.404 -4.294 80 1HG ARG 12 1HG ARG 12 8.829 -4.524 -4.558 81 2HG ARG 12 2HG ARG 12 10.572 -4.777 -4.401 82 1HD ARG 12 1HD ARG 12 10.088 -6.763 -6.225 83 2HD ARG 12 2HD ARG 12 8.682 -5.729 -6.601 84 HE ARG 12 HE ARG 12 10.499 -3.753 -6.703 85 1HH1 ARG 12 2HH1 ARG 12 11.121 -6.999 -7.744 86 2HH1 ARG 12 1HH1 ARG 12 12.358 -6.454 -8.975 87 1HH2 ARG 12 1HH2 ARG 12 11.892 -3.165 -8.074 88 2HH2 ARG 12 2HH2 ARG 12 12.756 -4.360 -9.148 89 H ILE 13 H ILE 13 8.441 -6.220 -0.226 90 HA ILE 13 HA ILE 13 7.911 -9.102 0.376 91 HB ILE 13 HB ILE 13 8.436 -6.645 2.099 92 1HG1 ILE 13 1HG1 ILE 13 10.363 -8.101 1.009 93 2HG1 ILE 13 2HG1 ILE 13 10.510 -7.582 2.666 94 1HG2 ILE 13 1HG2 ILE 13 6.696 -7.942 3.391 95 2HG2 ILE 13 2HG2 ILE 13 7.652 -9.434 3.229 96 3HG2 ILE 13 3HG2 ILE 13 8.248 -8.071 4.197 97 1HD1 ILE 13 1HD1 ILE 13 9.752 -9.816 3.540 98 2HD1 ILE 13 2HD1 ILE 13 9.646 -10.427 1.870 99 3HD1 ILE 13 3HD1 ILE 13 11.214 -9.926 2.534 100 H PHE 14 H PHE 14 6.055 -6.098 0.533 101 HA PHE 14 HA PHE 14 3.608 -7.259 1.898 102 1HB PHE 14 1HB PHE 14 4.267 -4.573 0.549 103 2HB PHE 14 2HB PHE 14 2.618 -4.993 0.878 104 HD1 PHE 14 HD1 PHE 14 4.771 -6.380 3.454 105 HD2 PHE 14 HD2 PHE 14 2.791 -2.775 2.215 106 HE1 PHE 14 HE1 PHE 14 4.887 -5.521 5.759 107 HE2 PHE 14 HE2 PHE 14 2.930 -1.912 4.518 108 HZ PHE 14 HZ PHE 14 3.933 -3.309 6.308 109 H ASP 15 H ASP 15 4.755 -6.616 -1.389 110 HA ASP 15 HA ASP 15 2.208 -7.234 -2.728 111 1HB ASP 15 1HB ASP 15 3.933 -5.600 -3.542 112 2HB ASP 15 2HB ASP 15 5.057 -6.909 -3.870 113 H LYS 16 H LYS 16 1.485 -9.022 -3.859 114 HA LYS 16 HA LYS 16 2.626 -11.609 -2.741 115 1HB LYS 16 1HB LYS 16 0.511 -12.588 -2.726 116 2HB LYS 16 2HB LYS 16 0.148 -10.945 -2.276 117 1HG LYS 16 1HG LYS 16 -1.419 -10.884 -3.964 118 2HG LYS 16 2HG LYS 16 -0.136 -11.052 -5.156 119 1HD LYS 16 1HD LYS 16 -2.167 -13.028 -4.318 120 2HD LYS 16 2HD LYS 16 -1.162 -12.963 -5.764 121 1HE LYS 16 1HE LYS 16 0.815 -13.896 -4.328 122 2HE LYS 16 2HE LYS 16 -0.411 -14.352 -3.127 123 1HZ LYS 16 1HZ LYS 16 -0.675 -15.105 -6.085 124 2HZ LYS 16 2HZ LYS 16 -0.096 -16.133 -4.929 125 3HZ LYS 16 3HZ LYS 16 -1.633 -15.604 -4.846 126 H ASN 17 H ASN 17 1.257 -10.231 -5.743 127 HA ASN 17 HA ASN 17 2.129 -12.627 -7.310 128 1HB ASN 17 1HB ASN 17 -0.174 -11.877 -7.511 129 2HB ASN 17 2HB ASN 17 0.291 -10.263 -7.976 130 1HD2 ASN 17 1HD2 ASN 17 -0.406 -11.237 -11.265 131 2HD2 ASN 17 2HD2 ASN 17 -0.956 -10.277 -9.852 132 H ALA 18 H ALA 18 2.913 -9.140 -7.402 133 HA ALA 18 HA ALA 18 5.188 -8.317 -7.673 134 1HB ALA 18 1HB ALA 18 5.878 -10.650 -7.003 135 2HB ALA 18 2HB ALA 18 5.729 -11.174 -8.695 136 3HB ALA 18 3HB ALA 18 6.962 -9.980 -8.254 137 H ASP 19 H ASP 19 3.145 -7.952 -9.751 138 HA ASP 19 HA ASP 19 4.920 -7.334 -12.127 139 1HB ASP 19 1HB ASP 19 2.855 -6.239 -13.060 140 2HB ASP 19 2HB ASP 19 2.582 -7.911 -12.590 141 H GLY 20 H GLY 20 4.775 -6.065 -9.087 142 1HA GLY 20 1HA GLY 20 6.336 -4.265 -8.442 143 2HA GLY 20 2HA GLY 20 6.094 -3.513 -10.024 144 H TYR 21 H TYR 21 3.131 -4.272 -8.504 145 HA TYR 21 HA TYR 21 2.725 -1.341 -7.634 146 1HB TYR 21 1HB TYR 21 0.696 -3.158 -9.085 147 2HB TYR 21 2HB TYR 21 0.263 -1.673 -8.291 148 HD1 TYR 21 HD1 TYR 21 2.640 0.085 -9.094 149 HD2 TYR 21 HD2 TYR 21 0.148 -2.576 -11.377 150 HE1 TYR 21 HE1 TYR 21 2.996 1.462 -11.107 151 HE2 TYR 21 HE2 TYR 21 0.556 -1.198 -13.389 152 HH TYR 21 HH TYR 21 2.807 0.564 -13.969 153 H ILE 22 H ILE 22 1.394 -0.992 -5.809 154 HA ILE 22 HA ILE 22 0.345 -3.414 -4.262 155 HB ILE 22 HB ILE 22 0.610 -0.484 -3.404 156 1HG1 ILE 22 1HG1 ILE 22 2.212 -3.000 -2.703 157 2HG1 ILE 22 2HG1 ILE 22 2.794 -1.423 -3.162 158 1HG2 ILE 22 1HG2 ILE 22 -1.473 -1.469 -2.348 159 2HG2 ILE 22 2HG2 ILE 22 -0.532 -2.837 -1.722 160 3HG2 ILE 22 3HG2 ILE 22 -0.248 -1.183 -1.124 161 1HD1 ILE 22 1HD1 ILE 22 2.030 -0.435 -0.941 162 2HD1 ILE 22 2HD1 ILE 22 1.623 -2.083 -0.399 163 3HD1 ILE 22 3HD1 ILE 22 3.302 -1.674 -0.810 164 H ASP 23 H ASP 23 -1.683 -3.988 -4.323 165 HA ASP 23 HA ASP 23 -3.775 -2.180 -5.625 166 1HB ASP 23 1HB ASP 23 -4.894 -4.494 -6.144 167 2HB ASP 23 2HB ASP 23 -3.444 -4.052 -7.034 168 H ILE 24 H ILE 24 -6.092 -2.862 -5.049 169 HA ILE 24 HA ILE 24 -6.586 -2.428 -2.108 170 HB ILE 24 HB ILE 24 -8.015 -1.570 -4.200 171 1HG1 ILE 24 1HG1 ILE 24 -8.437 -1.051 -1.692 172 2HG1 ILE 24 2HG1 ILE 24 -9.806 -0.934 -2.764 173 1HG2 ILE 24 1HG2 ILE 24 -8.730 -3.851 -5.052 174 2HG2 ILE 24 2HG2 ILE 24 -9.525 -4.194 -3.503 175 3HG2 ILE 24 3HG2 ILE 24 -10.132 -2.908 -4.577 176 1HD1 ILE 24 1HD1 ILE 24 -10.610 -3.249 -2.073 177 2HD1 ILE 24 2HD1 ILE 24 -9.337 -3.273 -0.829 178 3HD1 ILE 24 3HD1 ILE 24 -10.612 -2.039 -0.764 179 H GLU 25 H GLU 25 -6.357 -5.148 -4.262 180 HA GLU 25 HA GLU 25 -7.813 -7.102 -2.513 181 1HB GLU 25 1HB GLU 25 -7.175 -7.047 -5.206 182 2HB GLU 25 2HB GLU 25 -6.014 -8.201 -4.624 183 1HG GLU 25 1HG GLU 25 -8.920 -8.650 -3.770 184 2HG GLU 25 2HG GLU 25 -8.534 -8.916 -5.461 185 H GLU 26 H GLU 26 -4.507 -6.033 -2.824 186 HA GLU 26 HA GLU 26 -3.269 -8.326 -1.332 187 1HB GLU 26 1HB GLU 26 -1.216 -7.478 -1.818 188 2HB GLU 26 2HB GLU 26 -2.140 -6.925 -3.182 189 1HG GLU 26 1HG GLU 26 -0.832 -5.007 -2.678 190 2HG GLU 26 2HG GLU 26 -2.322 -4.594 -1.850 191 H LEU 27 H LEU 27 -4.085 -4.968 -0.545 192 HA LEU 27 HA LEU 27 -2.936 -4.536 2.063 193 1HB LEU 27 1HB LEU 27 -4.136 -2.822 0.768 194 2HB LEU 27 2HB LEU 27 -5.656 -3.659 0.943 195 HG LEU 27 HG LEU 27 -4.271 -2.828 3.525 196 1HD1 LEU 27 1HD1 LEU 27 -3.952 -0.833 2.056 197 2HD1 LEU 27 2HD1 LEU 27 -5.699 -0.782 1.686 198 3HD1 LEU 27 3HD1 LEU 27 -5.104 -0.502 3.348 199 1HD2 LEU 27 1HD2 LEU 27 -7.246 -2.722 2.623 200 2HD2 LEU 27 2HD2 LEU 27 -6.500 -3.990 3.640 201 3HD2 LEU 27 3HD2 LEU 27 -6.616 -2.335 4.248 202 H GLY 28 H GLY 28 -6.289 -5.737 1.633 203 1HA GLY 28 1HA GLY 28 -6.887 -6.544 4.265 204 2HA GLY 28 2HA GLY 28 -7.570 -7.391 2.872 205 H GLU 29 H GLU 29 -5.079 -8.578 1.955 206 HA GLU 29 HA GLU 29 -4.734 -10.842 3.820 207 1HB GLU 29 1HB GLU 29 -4.415 -11.800 1.865 208 2HB GLU 29 2HB GLU 29 -4.148 -10.291 1.046 209 1HG GLU 29 1HG GLU 29 -1.672 -10.412 1.518 210 2HG GLU 29 2HG GLU 29 -1.889 -11.843 2.508 211 H ILE 30 H ILE 30 -2.849 -7.953 3.289 212 HA ILE 30 HA ILE 30 -0.555 -8.575 5.116 213 HB ILE 30 HB ILE 30 -1.759 -5.946 4.133 214 1HG1 ILE 30 1HG1 ILE 30 0.869 -7.423 3.532 215 2HG1 ILE 30 2HG1 ILE 30 -0.346 -6.871 2.411 216 1HG2 ILE 30 1HG2 ILE 30 -0.971 -5.525 6.491 217 2HG2 ILE 30 2HG2 ILE 30 0.626 -6.212 6.100 218 3HG2 ILE 30 3HG2 ILE 30 0.069 -4.696 5.338 219 1HD1 ILE 30 1HD1 ILE 30 1.522 -4.908 3.899 220 2HD1 ILE 30 2HD1 ILE 30 1.641 -5.444 2.210 221 3HD1 ILE 30 3HD1 ILE 30 0.245 -4.480 2.731 222 H LEU 31 H LEU 31 -3.532 -6.621 5.653 223 HA LEU 31 HA LEU 31 -3.107 -6.426 8.621 224 1HB LEU 31 1HB LEU 31 -5.809 -5.871 7.407 225 2HB LEU 31 2HB LEU 31 -4.975 -5.029 8.690 226 HG LEU 31 HG LEU 31 -4.224 -4.797 5.713 227 1HD1 LEU 31 1HD1 LEU 31 -5.895 -2.915 7.512 228 2HD1 LEU 31 2HD1 LEU 31 -5.301 -2.521 5.877 229 3HD1 LEU 31 3HD1 LEU 31 -6.451 -3.844 6.092 230 1HD2 LEU 31 1HD2 LEU 31 -3.261 -3.178 8.180 231 2HD2 LEU 31 2HD2 LEU 31 -2.262 -4.221 7.129 232 3HD2 LEU 31 3HD2 LEU 31 -2.950 -2.728 6.482 233 H ARG 32 H ARG 32 -4.336 -8.966 6.648 234 HA ARG 32 HA ARG 32 -5.449 -10.395 9.058 235 1HB ARG 32 1HB ARG 32 -6.437 -10.610 6.831 236 2HB ARG 32 2HB ARG 32 -4.912 -11.122 6.110 237 1HG ARG 32 1HG ARG 32 -5.090 -13.183 7.812 238 2HG ARG 32 2HG ARG 32 -6.762 -12.641 8.049 239 1HD ARG 32 1HD ARG 32 -5.735 -13.016 5.175 240 2HD ARG 32 2HD ARG 32 -6.155 -14.461 6.121 241 HE ARG 32 HE ARG 32 -8.261 -12.322 6.268 242 1HH1 ARG 32 2HH1 ARG 32 -7.232 -15.100 4.453 243 2HH1 ARG 32 1HH1 ARG 32 -8.896 -15.341 3.737 244 1HH2 ARG 32 1HH2 ARG 32 -10.122 -12.628 5.445 245 2HH2 ARG 32 2HH2 ARG 32 -10.434 -13.991 4.274 246 H ALA 33 H ALA 33 -2.539 -10.726 7.006 247 HA ALA 33 HA ALA 33 -1.588 -13.209 7.717 248 1HB ALA 33 1HB ALA 33 -0.568 -11.736 5.987 249 2HB ALA 33 2HB ALA 33 0.191 -10.725 7.247 250 3HB ALA 33 3HB ALA 33 0.688 -12.418 7.034 251 H THR 34 H THR 34 0.382 -10.665 9.201 252 HA THR 34 HA THR 34 -0.235 -11.650 11.989 253 HB THR 34 HB THR 34 2.511 -11.087 12.264 254 HG1 THR 34 HG1 THR 34 3.545 -11.920 10.693 255 1HG2 THR 34 2HG2 THR 34 1.087 -12.914 13.402 256 2HG2 THR 34 3HG2 THR 34 1.230 -13.891 11.918 257 3HG2 THR 34 1HG2 THR 34 2.680 -13.503 12.860 258 H GLY 35 H GLY 35 0.048 -10.048 13.571 259 1HA GLY 35 1HA GLY 35 -0.550 -7.239 13.187 260 2HA GLY 35 2HA GLY 35 0.366 -7.871 14.560 261 1HN NH2 36 1HN NH2 36 2.774 -8.017 14.420 262 2HN NH2 36 2HN NH2 36 3.622 -6.829 13.395 263 1H ACE 37 1HH3 ACE 37 -16.994 -4.168 13.183 264 2H ACE 37 2HH3 ACE 37 -16.979 -3.796 11.425 265 3H ACE 37 3HH3 ACE 37 -18.152 -4.966 12.084 266 H VAL 38 H VAL 38 -14.615 -4.455 12.076 267 HA VAL 38 HA VAL 38 -12.913 -5.727 10.942 268 HB VAL 38 HB VAL 38 -14.193 -7.913 12.658 269 1HG1 VAL 38 1HG1 VAL 38 -11.642 -8.162 10.901 270 2HG1 VAL 38 2HG1 VAL 38 -12.091 -9.314 12.180 271 3HG1 VAL 38 3HG1 VAL 38 -13.124 -9.126 10.759 272 1HG2 VAL 38 1HG2 VAL 38 -12.900 -6.149 13.936 273 2HG2 VAL 38 2HG2 VAL 38 -12.061 -7.714 14.003 274 3HG2 VAL 38 3HG2 VAL 38 -11.480 -6.437 12.907 275 H THR 39 H THR 39 -13.946 -5.226 8.871 276 HA THR 39 HA THR 39 -15.596 -7.403 7.585 277 HB THR 39 HB THR 39 -17.220 -5.337 6.809 278 HG1 THR 39 HG1 THR 39 -16.716 -3.798 8.187 279 1HG2 THR 39 2HG2 THR 39 -17.578 -7.092 9.340 280 2HG2 THR 39 3HG2 THR 39 -18.891 -6.266 8.464 281 3HG2 THR 39 1HG2 THR 39 -17.980 -7.570 7.674 282 H GLU 40 H GLU 40 -16.327 -6.240 5.286 283 HA GLU 40 HA GLU 40 -13.821 -5.425 3.853 284 1HB GLU 40 1HB GLU 40 -16.659 -5.974 2.924 285 2HB GLU 40 2HB GLU 40 -15.518 -5.224 1.850 286 1HG GLU 40 1HG GLU 40 -14.212 -7.218 1.599 287 2HG GLU 40 2HG GLU 40 -14.659 -7.861 3.168 288 H GLU 41 H GLU 41 -16.865 -3.756 4.660 289 HA GLU 41 HA GLU 41 -16.212 -1.235 3.439 290 1HB GLU 41 1HB GLU 41 -18.180 -0.385 4.276 291 2HB GLU 41 2HB GLU 41 -18.493 -2.088 4.139 292 1HG GLU 41 1HG GLU 41 -17.873 -2.108 6.801 293 2HG GLU 41 2HG GLU 41 -18.250 -0.398 6.690 294 H ASP 42 H ASP 42 -15.271 -2.264 6.719 295 HA ASP 42 HA ASP 42 -13.816 0.069 7.509 296 1HB ASP 42 1HB ASP 42 -13.289 -2.929 7.896 297 2HB ASP 42 2HB ASP 42 -12.183 -1.741 8.571 298 H ILE 43 H ILE 43 -12.711 -2.386 5.176 299 HA ILE 43 HA ILE 43 -9.993 -1.167 4.736 300 HB ILE 43 HB ILE 43 -11.520 -3.419 3.366 301 1HG1 ILE 43 1HG1 ILE 43 -9.456 -4.787 3.930 302 2HG1 ILE 43 2HG1 ILE 43 -8.725 -3.396 4.683 303 1HG2 ILE 43 1HG2 ILE 43 -10.399 -2.187 1.467 304 2HG2 ILE 43 2HG2 ILE 43 -8.845 -2.225 2.324 305 3HG2 ILE 43 3HG2 ILE 43 -9.596 -3.728 1.730 306 1HD1 ILE 43 1HD1 ILE 43 -10.555 -3.279 6.427 307 2HD1 ILE 43 2HD1 ILE 43 -11.244 -4.790 5.776 308 3HD1 ILE 43 3HD1 ILE 43 -9.607 -4.783 6.468 309 H GLU 44 H GLU 44 -13.205 -0.815 3.386 310 HA GLU 44 HA GLU 44 -12.395 0.756 0.962 311 1HB GLU 44 1HB GLU 44 -14.382 0.165 0.244 312 2HB GLU 44 2HB GLU 44 -14.736 -0.611 1.757 313 1HG GLU 44 1HG GLU 44 -16.526 0.824 1.966 314 2HG GLU 44 2HG GLU 44 -15.399 2.129 2.289 315 H ASP 45 H ASP 45 -13.380 1.533 4.239 316 HA ASP 45 HA ASP 45 -13.355 4.517 3.980 317 1HB ASP 45 1HB ASP 45 -13.237 2.553 6.337 318 2HB ASP 45 2HB ASP 45 -12.989 4.275 6.592 319 H LEU 46 H LEU 46 -10.931 2.027 4.502 320 HA LEU 46 HA LEU 46 -8.744 3.878 5.336 321 1HB LEU 46 1HB LEU 46 -8.995 1.492 6.052 322 2HB LEU 46 2HB LEU 46 -8.639 0.937 4.433 323 HG LEU 46 HG LEU 46 -6.725 0.835 6.222 324 1HD1 LEU 46 1HD1 LEU 46 -6.281 2.056 3.438 325 2HD1 LEU 46 2HD1 LEU 46 -4.973 1.430 4.453 326 3HD1 LEU 46 3HD1 LEU 46 -6.246 0.321 3.866 327 1HD2 LEU 46 1HD2 LEU 46 -6.633 3.845 5.553 328 2HD2 LEU 46 2HD2 LEU 46 -6.795 3.104 7.147 329 3HD2 LEU 46 3HD2 LEU 46 -5.252 2.953 6.257 330 H MET 47 H MET 47 -9.058 2.043 2.263 331 HA MET 47 HA MET 47 -7.032 3.742 0.913 332 1HB MET 47 1HB MET 47 -7.492 1.288 0.407 333 2HB MET 47 2HB MET 47 -9.009 1.754 -0.343 334 1HG MET 47 1HG MET 47 -7.338 1.462 -2.129 335 2HG MET 47 2HG MET 47 -7.777 3.178 -2.044 336 1HE MET 47 1HE MET 47 -5.142 0.993 -2.774 337 2HE MET 47 2HE MET 47 -5.262 2.577 -3.593 338 3HE MET 47 3HE MET 47 -3.771 2.154 -2.704 339 H LYS 48 H LYS 48 -10.461 4.229 1.394 340 HA LYS 48 HA LYS 48 -10.570 6.567 -0.462 341 1HB LYS 48 1HB LYS 48 -12.189 5.547 1.899 342 2HB LYS 48 2HB LYS 48 -12.505 7.167 1.359 343 1HG LYS 48 1HG LYS 48 -13.813 4.894 0.407 344 2HG LYS 48 2HG LYS 48 -13.753 6.403 -0.447 345 1HD LYS 48 1HD LYS 48 -12.145 5.751 -2.014 346 2HD LYS 48 2HD LYS 48 -11.402 4.535 -1.029 347 1HE LYS 48 1HE LYS 48 -13.497 3.030 -1.396 348 2HE LYS 48 2HE LYS 48 -14.202 4.307 -2.371 349 1HZ LYS 48 1HZ LYS 48 -11.460 3.436 -3.154 350 2HZ LYS 48 2HZ LYS 48 -12.607 2.406 -3.517 351 3HZ LYS 48 3HZ LYS 48 -12.657 3.939 -4.143 352 H ASP 49 H ASP 49 -9.605 6.103 2.915 353 HA ASP 49 HA ASP 49 -9.159 9.037 3.487 354 1HB ASP 49 1HB ASP 49 -9.863 7.303 5.255 355 2HB ASP 49 2HB ASP 49 -8.241 6.629 5.182 356 H SER 50 H SER 50 -7.188 6.296 2.464 357 HA SER 50 HA SER 50 -4.645 7.869 2.493 358 1HB SER 50 1HB SER 50 -5.374 4.994 1.662 359 2HB SER 50 2HB SER 50 -3.752 5.628 1.404 360 HG SER 50 HG SER 50 -4.273 6.309 3.850 361 H ASP 51 H ASP 51 -7.135 7.852 0.262 362 HA ASP 51 HA ASP 51 -5.716 7.483 -2.319 363 1HB ASP 51 1HB ASP 51 -8.222 7.102 -1.816 364 2HB ASP 51 2HB ASP 51 -8.440 8.846 -1.831 365 H LYS 52 H LYS 52 -4.081 8.763 -2.811 366 HA LYS 52 HA LYS 52 -4.238 11.780 -2.970 367 1HB LYS 52 1HB LYS 52 -2.431 9.736 -4.369 368 2HB LYS 52 2HB LYS 52 -2.223 11.452 -4.538 369 1HG LYS 52 1HG LYS 52 -0.857 9.864 -2.697 370 2HG LYS 52 2HG LYS 52 -1.033 11.584 -2.548 371 1HD LYS 52 1HD LYS 52 -3.182 11.255 -1.184 372 2HD LYS 52 2HD LYS 52 -2.893 9.548 -1.120 373 1HE LYS 52 1HE LYS 52 -1.653 9.955 0.820 374 2HE LYS 52 2HE LYS 52 -0.400 10.645 -0.211 375 1HZ LYS 52 1HZ LYS 52 -2.546 12.622 0.232 376 2HZ LYS 52 2HZ LYS 52 -1.902 12.106 1.640 377 3HZ LYS 52 3HZ LYS 52 -0.934 12.776 0.580 378 H ASN 53 H ASN 53 -3.381 11.140 -6.005 379 HA ASN 53 HA ASN 53 -5.902 11.739 -7.294 380 1HB ASN 53 1HB ASN 53 -4.661 11.588 -9.399 381 2HB ASN 53 2HB ASN 53 -3.582 12.245 -8.200 382 1HD2 ASN 53 1HD2 ASN 53 -2.462 8.941 -10.140 383 2HD2 ASN 53 2HD2 ASN 53 -3.960 9.884 -10.564 384 H ASN 54 H ASN 54 -4.171 8.607 -7.411 385 HA ASN 54 HA ASN 54 -4.917 6.368 -7.937 386 1HB ASN 54 1HB ASN 54 -7.184 7.655 -6.281 387 2HB ASN 54 2HB ASN 54 -7.270 5.982 -6.757 388 1HD2 ASN 54 1HD2 ASN 54 -5.135 4.982 -4.129 389 2HD2 ASN 54 2HD2 ASN 54 -6.218 4.501 -5.511 390 H ASP 55 H ASP 55 -5.013 6.278 -10.140 391 HA ASP 55 HA ASP 55 -7.591 6.424 -11.678 392 1HB ASP 55 1HB ASP 55 -6.362 5.181 -13.421 393 2HB ASP 55 2HB ASP 55 -5.370 6.504 -12.824 394 H GLY 56 H GLY 56 -6.244 4.206 -9.341 395 1HA GLY 56 1HA GLY 56 -8.379 2.365 -9.064 396 2HA GLY 56 2HA GLY 56 -7.461 1.665 -10.404 397 H ARG 57 H ARG 57 -4.873 2.611 -9.199 398 HA ARG 57 HA ARG 57 -4.486 0.855 -6.784 399 1HB ARG 57 1HB ARG 57 -2.783 -0.626 -8.084 400 2HB ARG 57 2HB ARG 57 -4.504 -0.968 -8.254 401 1HG ARG 57 1HG ARG 57 -3.752 0.978 -10.330 402 2HG ARG 57 2HG ARG 57 -2.539 -0.301 -10.332 403 1HD ARG 57 1HD ARG 57 -5.423 -1.264 -10.179 404 2HD ARG 57 2HD ARG 57 -4.983 -0.418 -11.662 405 HE ARG 57 HE ARG 57 -2.723 -2.168 -11.154 406 1HH1 ARG 57 2HH1 ARG 57 -6.023 -2.532 -12.139 407 2HH1 ARG 57 1HH1 ARG 57 -5.696 -4.223 -12.790 408 1HH2 ARG 57 1HH2 ARG 57 -2.372 -3.928 -12.014 409 2HH2 ARG 57 2HH2 ARG 57 -3.686 -4.937 -12.798 410 H ILE 58 H ILE 58 -2.127 0.596 -6.233 411 HA ILE 58 HA ILE 58 -0.793 3.320 -6.451 412 HB ILE 58 HB ILE 58 -0.697 1.180 -4.269 413 1HG1 ILE 58 1HG1 ILE 58 -1.780 4.080 -4.241 414 2HG1 ILE 58 2HG1 ILE 58 -2.749 2.633 -4.254 415 1HG2 ILE 58 1HG2 ILE 58 1.604 2.228 -4.418 416 2HG2 ILE 58 2HG2 ILE 58 0.893 3.849 -4.291 417 3HG2 ILE 58 3HG2 ILE 58 0.802 2.710 -2.927 418 1HD1 ILE 58 1HD1 ILE 58 -1.853 1.917 -1.993 419 2HD1 ILE 58 2HD1 ILE 58 -0.956 3.454 -1.892 420 3HD1 ILE 58 3HD1 ILE 58 -2.732 3.467 -1.969 421 H ASP 59 H ASP 59 1.392 3.583 -7.033 422 HA ASP 59 HA ASP 59 3.163 1.083 -7.053 423 1HB ASP 59 1HB ASP 59 4.542 2.187 -8.755 424 2HB ASP 59 2HB ASP 59 2.860 2.222 -9.265 425 H PHE 60 H PHE 60 5.626 2.572 -7.121 426 HA PHE 60 HA PHE 60 6.142 2.496 -4.168 427 1HB PHE 60 1HB PHE 60 7.678 1.673 -6.143 428 2HB PHE 60 2HB PHE 60 8.142 3.330 -6.345 429 HD1 PHE 60 HD1 PHE 60 8.858 4.542 -3.897 430 HD2 PHE 60 HD2 PHE 60 9.162 0.365 -4.852 431 HE1 PHE 60 HE1 PHE 60 10.618 4.270 -2.187 432 HE2 PHE 60 HE2 PHE 60 10.887 0.095 -3.127 433 HZ PHE 60 HZ PHE 60 11.684 2.059 -1.849 434 H ASP 61 H ASP 61 5.764 5.080 -6.524 435 HA ASP 61 HA ASP 61 6.677 7.451 -5.007 436 1HB ASP 61 1HB ASP 61 6.038 7.985 -7.235 437 2HB ASP 61 2HB ASP 61 4.735 6.814 -7.276 438 H GLU 62 H GLU 62 3.344 6.765 -5.629 439 HA GLU 62 HA GLU 62 1.761 7.612 -3.440 440 1HB GLU 62 1HB GLU 62 1.603 5.011 -5.008 441 2HB GLU 62 2HB GLU 62 0.438 5.380 -3.773 442 1HG GLU 62 1HG GLU 62 -0.344 5.959 -6.136 443 2HG GLU 62 2HG GLU 62 -0.436 7.326 -5.034 444 H PHE 63 H PHE 63 3.988 4.855 -3.290 445 HA PHE 63 HA PHE 63 2.982 3.699 -0.698 446 1HB PHE 63 1HB PHE 63 4.254 2.442 -2.499 447 2HB PHE 63 2HB PHE 63 5.683 3.346 -2.142 448 HD1 PHE 63 HD1 PHE 63 6.153 3.405 0.705 449 HD2 PHE 63 HD2 PHE 63 4.264 0.220 -1.488 450 HE1 PHE 63 HE1 PHE 63 7.060 1.751 2.291 451 HE2 PHE 63 HE2 PHE 63 5.156 -1.400 0.108 452 HZ PHE 63 HZ PHE 63 6.637 -0.659 1.947 453 H LEU 64 H LEU 64 5.984 5.481 -1.449 454 HA LEU 64 HA LEU 64 6.853 6.336 1.124 455 1HB LEU 64 1HB LEU 64 6.985 7.772 -1.573 456 2HB LEU 64 2HB LEU 64 7.741 8.459 -0.159 457 HG LEU 64 HG LEU 64 8.432 5.651 -1.220 458 1HD1 LEU 64 1HD1 LEU 64 9.783 8.368 -1.837 459 2HD1 LEU 64 2HD1 LEU 64 10.487 6.770 -2.209 460 3HD1 LEU 64 3HD1 LEU 64 8.972 7.257 -2.975 461 1HD2 LEU 64 1HD2 LEU 64 9.904 7.509 0.790 462 2HD2 LEU 64 2HD2 LEU 64 9.151 5.927 1.145 463 3HD2 LEU 64 3HD2 LEU 64 10.580 6.009 0.106 464 H LYS 65 H LYS 65 4.276 7.899 -0.766 465 HA LYS 65 HA LYS 65 3.890 10.146 1.167 466 1HB LYS 65 1HB LYS 65 2.579 9.063 -1.374 467 2HB LYS 65 2HB LYS 65 1.848 10.427 -0.550 468 1HG LYS 65 1HG LYS 65 4.737 10.940 -1.029 469 2HG LYS 65 2HG LYS 65 3.970 10.358 -2.518 470 1HD LYS 65 1HD LYS 65 2.011 12.016 -1.958 471 2HD LYS 65 2HD LYS 65 3.114 12.800 -0.822 472 1HE LYS 65 1HE LYS 65 3.989 12.399 -3.755 473 2HE LYS 65 2HE LYS 65 2.742 13.610 -3.404 474 1HZ LYS 65 1HZ LYS 65 4.476 14.341 -1.474 475 2HZ LYS 65 2HZ LYS 65 5.606 13.667 -2.468 476 3HZ LYS 65 3HZ LYS 65 4.663 14.896 -2.971 477 H MET 66 H MET 66 2.045 7.145 0.459 478 HA MET 66 HA MET 66 0.036 7.435 2.513 479 1HB MET 66 1HB MET 66 0.023 5.826 0.538 480 2HB MET 66 2HB MET 66 1.191 4.823 1.371 481 1HG MET 66 1HG MET 66 -0.372 4.215 3.156 482 2HG MET 66 2HG MET 66 -1.568 5.411 2.622 483 1HE MET 66 1HE MET 66 0.803 3.051 0.495 484 2HE MET 66 2HE MET 66 0.291 2.057 1.894 485 3HE MET 66 3HE MET 66 -0.265 1.635 0.248 486 H MET 67 H MET 67 3.315 6.220 2.853 487 HA MET 67 HA MET 67 2.812 5.062 5.636 488 1HB MET 67 1HB MET 67 5.016 4.019 5.445 489 2HB MET 67 2HB MET 67 4.100 3.694 3.986 490 1HG MET 67 1HG MET 67 6.017 4.300 2.879 491 2HG MET 67 2HG MET 67 5.449 5.963 3.124 492 1HE MET 67 1HE MET 67 6.943 3.053 5.304 493 2HE MET 67 2HE MET 67 8.154 3.249 4.002 494 3HE MET 67 3HE MET 67 8.580 3.667 5.693 495 H GLU 68 H GLU 68 4.821 7.598 4.070 496 HA GLU 68 HA GLU 68 5.661 8.794 6.619 497 1HB GLU 68 1HB GLU 68 5.682 10.064 3.844 498 2HB GLU 68 2HB GLU 68 6.507 10.690 5.239 499 1HG GLU 68 1HG GLU 68 7.949 8.521 5.284 500 2HG GLU 68 2HG GLU 68 7.177 8.030 3.788 501 H GLY 69 H GLY 69 2.809 9.585 4.580 502 1HA GLY 69 1HA GLY 69 2.631 12.460 5.113 503 2HA GLY 69 2HA GLY 69 1.266 11.436 4.650 504 H VAL 70 H VAL 70 0.163 10.212 6.504 505 HA VAL 70 HA VAL 70 -0.291 11.470 9.006 506 HB VAL 70 HB VAL 70 -0.522 8.629 8.067 507 1HG1 VAL 70 1HG1 VAL 70 -0.620 9.291 11.098 508 2HG1 VAL 70 2HG1 VAL 70 -1.215 7.781 10.362 509 3HG1 VAL 70 3HG1 VAL 70 0.507 8.166 10.302 510 1HG2 VAL 70 1HG2 VAL 70 -2.456 10.246 7.869 511 2HG2 VAL 70 2HG2 VAL 70 -2.876 8.882 8.893 512 3HG2 VAL 70 3HG2 VAL 70 -2.488 10.464 9.633 513 H GLN 71 H GLN 71 1.365 12.354 10.206 514 HA GLN 71 HA GLN 71 3.629 10.750 11.249 515 1HB GLN 71 1HB GLN 71 2.565 13.249 12.631 516 2HB GLN 71 2HB GLN 71 4.224 12.668 12.501 517 1HG GLN 71 1HG GLN 71 3.595 13.038 9.797 518 2HG GLN 71 2HG GLN 71 2.564 14.270 10.500 519 1HE2 GLN 71 1HE2 GLN 71 6.513 14.959 10.157 520 2HE2 GLN 71 2HE2 GLN 71 5.730 13.362 9.652 521 1HN NH2 72 1HN NH2 72 3.970 9.902 13.448 522 2HN NH2 72 2HN NH2 72 2.578 9.309 14.394 No H/Q in entry = 522 Start of MODEL 16 1 1H ACE 1 1HH3 ACE 1 20.248 8.477 5.824 2 2H ACE 1 2HH3 ACE 1 21.817 9.323 5.579 3 3H ACE 1 3HH3 ACE 1 20.400 10.203 6.218 4 H LYS 2 H LYS 2 21.303 8.263 3.358 5 HA LYS 2 HA LYS 2 19.024 9.424 1.801 6 1HB LYS 2 1HB LYS 2 20.901 9.635 -0.209 7 2HB LYS 2 2HB LYS 2 20.203 10.993 0.646 8 1HG LYS 2 1HG LYS 2 22.356 10.467 2.345 9 2HG LYS 2 2HG LYS 2 22.976 9.678 0.918 10 1HD LYS 2 1HD LYS 2 23.803 11.740 0.323 11 2HD LYS 2 2HD LYS 2 22.159 12.156 -0.167 12 1HE LYS 2 1HE LYS 2 22.362 13.880 1.333 13 2HE LYS 2 2HE LYS 2 21.913 12.682 2.560 14 1HZ LYS 2 1HZ LYS 2 24.797 13.042 1.706 15 2HZ LYS 2 2HZ LYS 2 24.258 14.014 2.809 16 3HZ LYS 2 3HZ LYS 2 24.339 12.381 3.108 17 H SER 3 H SER 3 18.578 7.136 2.370 18 HA SER 3 HA SER 3 19.509 5.212 0.167 19 1HB SER 3 1HB SER 3 20.813 4.526 1.950 20 2HB SER 3 2HB SER 3 19.670 4.995 3.186 21 HG SER 3 HG SER 3 19.367 2.908 3.213 22 H GLU 4 H GLU 4 17.753 5.141 -1.074 23 HA GLU 4 HA GLU 4 14.977 4.457 -0.139 24 1HB GLU 4 1HB GLU 4 16.160 4.431 -2.932 25 2HB GLU 4 2HB GLU 4 14.589 3.787 -2.520 26 1HG GLU 4 1HG GLU 4 14.368 6.419 -1.517 27 2HG GLU 4 2HG GLU 4 15.435 6.661 -2.895 28 H GLU 5 H GLU 5 17.886 2.736 -0.311 29 HA GLU 5 HA GLU 5 16.985 0.370 -1.687 30 1HB GLU 5 1HB GLU 5 19.256 0.997 -1.830 31 2HB GLU 5 2HB GLU 5 19.503 0.976 -0.110 32 1HG GLU 5 1HG GLU 5 19.008 -1.701 -0.380 33 2HG GLU 5 2HG GLU 5 19.438 -1.400 -2.054 34 H GLU 6 H GLU 6 17.387 0.725 1.860 35 HA GLU 6 HA GLU 6 16.244 -1.767 2.693 36 1HB GLU 6 1HB GLU 6 16.907 -0.811 4.567 37 2HB GLU 6 2HB GLU 6 16.831 0.797 3.914 38 1HG GLU 6 1HG GLU 6 14.517 1.127 4.691 39 2HG GLU 6 2HG GLU 6 14.275 -0.585 4.986 40 H LEU 7 H LEU 7 14.425 1.118 1.675 41 HA LEU 7 HA LEU 7 11.726 -0.067 2.392 42 1HB LEU 7 1HB LEU 7 12.491 2.583 1.047 43 2HB LEU 7 2HB LEU 7 10.849 2.118 1.428 44 HG LEU 7 HG LEU 7 12.977 3.215 3.216 45 1HD1 LEU 7 1HD1 LEU 7 10.918 4.476 2.615 46 2HD1 LEU 7 2HD1 LEU 7 9.885 3.216 3.337 47 3HD1 LEU 7 3HD1 LEU 7 10.974 4.188 4.360 48 1HD2 LEU 7 1HD2 LEU 7 11.084 1.001 4.304 49 2HD2 LEU 7 2HD2 LEU 7 12.869 0.967 4.288 50 3HD2 LEU 7 3HD2 LEU 7 12.025 2.133 5.311 51 H ALA 8 H ALA 8 13.667 0.365 -0.568 52 HA ALA 8 HA ALA 8 11.797 -0.905 -2.386 53 1HB ALA 8 1HB ALA 8 14.892 -0.879 -2.356 54 2HB ALA 8 2HB ALA 8 13.887 -1.331 -3.747 55 3HB ALA 8 3HB ALA 8 13.818 0.319 -3.117 56 H ASN 9 H ASN 9 14.632 -2.709 -0.994 57 HA ASN 9 HA ASN 9 13.842 -5.343 -1.040 58 1HB ASN 9 1HB ASN 9 14.926 -3.875 1.464 59 2HB ASN 9 2HB ASN 9 14.860 -5.610 1.325 60 1HD2 ASN 9 1HD2 ASN 9 18.177 -5.306 0.113 61 2HD2 ASN 9 2HD2 ASN 9 17.077 -5.869 1.449 62 H ALA 10 H ALA 10 12.478 -3.146 1.433 63 HA ALA 10 HA ALA 10 10.598 -5.131 2.592 64 1HB ALA 10 1HB ALA 10 11.606 -3.218 3.850 65 2HB ALA 10 2HB ALA 10 10.695 -2.047 2.862 66 3HB ALA 10 3HB ALA 10 9.834 -3.169 3.938 67 H PHE 11 H PHE 11 10.080 -2.430 0.304 68 HA PHE 11 HA PHE 11 7.215 -2.709 -0.042 69 1HB PHE 11 1HB PHE 11 8.538 -0.710 -0.691 70 2HB PHE 11 2HB PHE 11 9.342 -1.591 -1.945 71 HD1 PHE 11 HD1 PHE 11 5.840 -0.445 -1.018 72 HD2 PHE 11 HD2 PHE 11 8.538 -1.585 -4.171 73 HE1 PHE 11 HE1 PHE 11 4.166 0.205 -2.703 74 HE2 PHE 11 HE2 PHE 11 6.854 -0.921 -5.837 75 HZ PHE 11 HZ PHE 11 4.705 0.040 -5.114 76 H ARG 12 H ARG 12 9.794 -4.246 -2.022 77 HA ARG 12 HA ARG 12 7.915 -5.945 -3.503 78 1HB ARG 12 1HB ARG 12 9.759 -6.855 -4.590 79 2HB ARG 12 2HB ARG 12 10.370 -5.277 -4.106 80 1HG ARG 12 1HG ARG 12 11.278 -6.582 -1.935 81 2HG ARG 12 2HG ARG 12 11.028 -8.041 -2.902 82 1HD ARG 12 1HD ARG 12 12.940 -5.695 -3.472 83 2HD ARG 12 2HD ARG 12 13.336 -7.425 -3.276 84 HE ARG 12 HE ARG 12 12.367 -6.147 -5.790 85 1HH1 ARG 12 2HH1 ARG 12 12.392 -9.164 -4.084 86 2HH1 ARG 12 1HH1 ARG 12 12.132 -10.126 -5.618 87 1HH2 ARG 12 1HH2 ARG 12 12.049 -7.237 -7.487 88 2HH2 ARG 12 2HH2 ARG 12 11.948 -9.058 -7.461 89 H ILE 13 H ILE 13 9.581 -6.459 -0.427 90 HA ILE 13 HA ILE 13 9.251 -9.420 -0.243 91 HB ILE 13 HB ILE 13 9.923 -7.266 1.816 92 1HG1 ILE 13 1HG1 ILE 13 11.704 -8.278 0.088 93 2HG1 ILE 13 2HG1 ILE 13 12.144 -7.957 1.743 94 1HG2 ILE 13 1HG2 ILE 13 8.595 -9.013 3.067 95 2HG2 ILE 13 2HG2 ILE 13 9.634 -10.303 2.418 96 3HG2 ILE 13 3HG2 ILE 13 10.280 -9.096 3.547 97 1HD1 ILE 13 1HD1 ILE 13 11.830 -10.366 2.399 98 2HD1 ILE 13 2HD1 ILE 13 11.439 -10.769 0.709 99 3HD1 ILE 13 3HD1 ILE 13 13.049 -10.148 1.123 100 H PHE 14 H PHE 14 7.284 -6.628 0.550 101 HA PHE 14 HA PHE 14 5.047 -8.073 1.979 102 1HB PHE 14 1HB PHE 14 5.415 -5.279 0.760 103 2HB PHE 14 2HB PHE 14 3.811 -5.847 1.091 104 HD1 PHE 14 HD1 PHE 14 3.054 -6.315 3.451 105 HD2 PHE 14 HD2 PHE 14 6.903 -4.587 2.645 106 HE1 PHE 14 HE1 PHE 14 3.229 -5.596 5.801 107 HE2 PHE 14 HE2 PHE 14 7.082 -3.891 5.000 108 HZ PHE 14 HZ PHE 14 5.258 -4.402 6.586 109 H ASP 15 H ASP 15 5.730 -6.966 -1.342 110 HA ASP 15 HA ASP 15 3.025 -7.118 -2.279 111 1HB ASP 15 1HB ASP 15 4.761 -5.671 -3.270 112 2HB ASP 15 2HB ASP 15 5.674 -7.053 -3.857 113 H LYS 16 H LYS 16 1.694 -8.678 -3.045 114 HA LYS 16 HA LYS 16 2.416 -11.471 -2.323 115 1HB LYS 16 1HB LYS 16 -0.117 -10.354 -3.671 116 2HB LYS 16 2HB LYS 16 0.077 -12.036 -3.262 117 1HG LYS 16 1HG LYS 16 0.579 -10.726 -0.781 118 2HG LYS 16 2HG LYS 16 -0.568 -9.638 -1.553 119 1HD LYS 16 1HD LYS 16 -2.165 -10.996 -0.608 120 2HD LYS 16 2HD LYS 16 -1.878 -11.960 -2.055 121 1HE LYS 16 1HE LYS 16 -0.358 -12.559 0.541 122 2HE LYS 16 2HE LYS 16 -1.921 -13.312 0.167 123 1HZ LYS 16 1HZ LYS 16 0.033 -13.282 -2.072 124 2HZ LYS 16 2HZ LYS 16 0.479 -14.289 -0.852 125 3HZ LYS 16 3HZ LYS 16 -0.955 -14.504 -1.645 126 H ASN 17 H ASN 17 2.113 -9.612 -5.303 127 HA ASN 17 HA ASN 17 2.562 -12.119 -6.990 128 1HB ASN 17 1HB ASN 17 0.546 -9.840 -7.268 129 2HB ASN 17 2HB ASN 17 0.948 -10.827 -8.647 130 1HD2 ASN 17 1HD2 ASN 17 -0.728 -13.434 -6.215 131 2HD2 ASN 17 2HD2 ASN 17 1.033 -13.159 -6.417 132 H ALA 18 H ALA 18 3.712 -8.929 -6.526 133 HA ALA 18 HA ALA 18 5.606 -7.788 -7.479 134 1HB ALA 18 1HB ALA 18 6.503 -10.144 -7.399 135 2HB ALA 18 2HB ALA 18 5.858 -10.440 -9.029 136 3HB ALA 18 3HB ALA 18 7.147 -9.245 -8.801 137 H ASP 19 H ASP 19 2.992 -7.316 -8.826 138 HA ASP 19 HA ASP 19 3.627 -6.430 -11.548 139 1HB ASP 19 1HB ASP 19 1.359 -6.474 -10.039 140 2HB ASP 19 2HB ASP 19 1.768 -4.784 -9.783 141 H GLY 20 H GLY 20 5.381 -5.572 -8.858 142 1HA GLY 20 1HA GLY 20 6.580 -3.609 -8.078 143 2HA GLY 20 2HA GLY 20 6.267 -2.884 -9.659 144 H TYR 21 H TYR 21 3.248 -3.560 -8.541 145 HA TYR 21 HA TYR 21 2.915 -0.926 -6.996 146 1HB TYR 21 1HB TYR 21 0.730 -2.590 -8.400 147 2HB TYR 21 2HB TYR 21 0.503 -1.061 -7.603 148 HD1 TYR 21 HD1 TYR 21 1.873 -2.689 -10.641 149 HD2 TYR 21 HD2 TYR 21 1.246 1.091 -8.688 150 HE1 TYR 21 HE1 TYR 21 2.222 -1.516 -12.779 151 HE2 TYR 21 HE2 TYR 21 1.610 2.242 -10.846 152 HH TYR 21 HH TYR 21 1.360 1.577 -13.371 153 H ILE 22 H ILE 22 1.366 -0.884 -5.204 154 HA ILE 22 HA ILE 22 0.617 -3.589 -3.962 155 HB ILE 22 HB ILE 22 0.961 -0.848 -2.645 156 1HG1 ILE 22 1HG1 ILE 22 2.531 -3.468 -2.474 157 2HG1 ILE 22 2HG1 ILE 22 3.124 -1.840 -2.663 158 1HG2 ILE 22 1HG2 ILE 22 -1.090 -1.943 -1.635 159 2HG2 ILE 22 2HG2 ILE 22 -0.159 -3.413 -1.290 160 3HG2 ILE 22 3HG2 ILE 22 0.210 -1.882 -0.456 161 1HD1 ILE 22 1HD1 ILE 22 2.489 -1.272 -0.262 162 2HD1 ILE 22 2HD1 ILE 22 2.074 -2.987 -0.013 163 3HD1 ILE 22 3HD1 ILE 22 3.740 -2.531 -0.427 164 H ASP 23 H ASP 23 -1.413 -4.215 -3.994 165 HA ASP 23 HA ASP 23 -3.636 -2.262 -4.709 166 1HB ASP 23 1HB ASP 23 -4.845 -4.647 -5.099 167 2HB ASP 23 2HB ASP 23 -3.762 -3.952 -6.296 168 H ILE 24 H ILE 24 -5.875 -3.085 -3.861 169 HA ILE 24 HA ILE 24 -5.976 -2.846 -0.858 170 HB ILE 24 HB ILE 24 -7.763 -2.023 -2.664 171 1HG1 ILE 24 1HG1 ILE 24 -9.658 -2.308 -0.830 172 2HG1 ILE 24 2HG1 ILE 24 -8.437 -3.071 0.151 173 1HG2 ILE 24 1HG2 ILE 24 -8.375 -4.311 -3.574 174 2HG2 ILE 24 2HG2 ILE 24 -8.907 -4.825 -1.961 175 3HG2 ILE 24 3HG2 ILE 24 -9.778 -3.548 -2.847 176 1HD1 ILE 24 1HD1 ILE 24 -6.957 -1.004 0.009 177 2HD1 ILE 24 2HD1 ILE 24 -8.293 -0.156 -0.808 178 3HD1 ILE 24 3HD1 ILE 24 -8.510 -0.752 0.851 179 H GLU 25 H GLU 25 -5.963 -5.412 -3.231 180 HA GLU 25 HA GLU 25 -7.095 -7.501 -1.398 181 1HB GLU 25 1HB GLU 25 -6.860 -7.175 -4.226 182 2HB GLU 25 2HB GLU 25 -5.978 -8.623 -3.851 183 1HG GLU 25 1HG GLU 25 -7.952 -9.794 -3.072 184 2HG GLU 25 2HG GLU 25 -8.841 -8.318 -2.747 185 H GLU 26 H GLU 26 -3.927 -6.401 -2.165 186 HA GLU 26 HA GLU 26 -2.448 -8.605 -0.765 187 1HB GLU 26 1HB GLU 26 -0.500 -7.408 -1.032 188 2HB GLU 26 2HB GLU 26 -1.408 -7.037 -2.466 189 1HG GLU 26 1HG GLU 26 -0.872 -4.827 -2.074 190 2HG GLU 26 2HG GLU 26 -2.060 -4.830 -0.784 191 H LEU 27 H LEU 27 -3.770 -5.465 0.216 192 HA LEU 27 HA LEU 27 -2.285 -5.213 2.682 193 1HB LEU 27 1HB LEU 27 -3.274 -3.322 1.459 194 2HB LEU 27 2HB LEU 27 -4.897 -3.861 1.804 195 HG LEU 27 HG LEU 27 -3.300 -3.404 4.301 196 1HD1 LEU 27 1HD1 LEU 27 -2.255 -1.651 2.862 197 2HD1 LEU 27 2HD1 LEU 27 -3.860 -0.980 2.452 198 3HD1 LEU 27 3HD1 LEU 27 -3.246 -0.934 4.130 199 1HD2 LEU 27 1HD2 LEU 27 -6.019 -2.245 3.333 200 2HD2 LEU 27 2HD2 LEU 27 -5.798 -3.698 4.354 201 3HD2 LEU 27 3HD2 LEU 27 -5.333 -2.110 4.976 202 H GLY 28 H GLY 28 -5.860 -5.841 2.662 203 1HA GLY 28 1HA GLY 28 -6.542 -6.959 5.019 204 2HA GLY 28 2HA GLY 28 -6.893 -7.924 3.580 205 H GLU 29 H GLU 29 -4.553 -9.005 2.842 206 HA GLU 29 HA GLU 29 -4.158 -11.231 4.770 207 1HB GLU 29 1HB GLU 29 -4.021 -11.200 2.144 208 2HB GLU 29 2HB GLU 29 -2.362 -10.738 2.367 209 1HG GLU 29 1HG GLU 29 -2.038 -13.050 2.234 210 2HG GLU 29 2HG GLU 29 -2.315 -12.986 3.965 211 H ILE 30 H ILE 30 -2.312 -8.316 4.049 212 HA ILE 30 HA ILE 30 0.204 -8.972 5.507 213 HB ILE 30 HB ILE 30 -1.048 -6.279 4.765 214 1HG1 ILE 30 1HG1 ILE 30 -0.192 -6.866 2.697 215 2HG1 ILE 30 2HG1 ILE 30 1.288 -6.249 3.380 216 1HG2 ILE 30 1HG2 ILE 30 0.370 -5.948 6.824 217 2HG2 ILE 30 2HG2 ILE 30 1.749 -6.749 6.027 218 3HG2 ILE 30 3HG2 ILE 30 1.126 -5.185 5.429 219 1HD1 ILE 30 1HD1 ILE 30 0.653 -9.275 3.303 220 2HD1 ILE 30 2HD1 ILE 30 1.752 -8.373 2.238 221 3HD1 ILE 30 3HD1 ILE 30 2.122 -8.514 3.968 222 H LEU 31 H LEU 31 -2.700 -7.113 6.449 223 HA LEU 31 HA LEU 31 -2.187 -7.001 9.398 224 1HB LEU 31 1HB LEU 31 -5.007 -7.131 8.338 225 2HB LEU 31 2HB LEU 31 -4.357 -6.163 9.640 226 HG LEU 31 HG LEU 31 -3.779 -5.566 6.676 227 1HD1 LEU 31 1HD1 LEU 31 -5.969 -4.404 8.525 228 2HD1 LEU 31 2HD1 LEU 31 -5.520 -3.758 6.923 229 3HD1 LEU 31 3HD1 LEU 31 -6.195 -5.386 7.050 230 1HD2 LEU 31 1HD2 LEU 31 -3.391 -3.859 9.238 231 2HD2 LEU 31 2HD2 LEU 31 -2.108 -4.479 8.162 232 3HD2 LEU 31 3HD2 LEU 31 -3.227 -3.246 7.571 233 H ARG 32 H ARG 32 -3.969 -9.287 7.325 234 HA ARG 32 HA ARG 32 -4.783 -11.031 9.571 235 1HB ARG 32 1HB ARG 32 -6.030 -10.434 7.446 236 2HB ARG 32 2HB ARG 32 -4.921 -11.436 6.513 237 1HG ARG 32 1HG ARG 32 -6.337 -13.207 6.914 238 2HG ARG 32 2HG ARG 32 -5.861 -13.140 8.621 239 1HD ARG 32 1HD ARG 32 -7.716 -11.637 9.206 240 2HD ARG 32 2HD ARG 32 -8.074 -11.287 7.500 241 HE ARG 32 HE ARG 32 -8.261 -14.211 8.297 242 1HH1 ARG 32 2HH1 ARG 32 -10.037 -11.295 7.650 243 2HH1 ARG 32 1HH1 ARG 32 -11.605 -12.209 7.442 244 1HH2 ARG 32 1HH2 ARG 32 -10.046 -15.205 8.055 245 2HH2 ARG 32 2HH2 ARG 32 -11.588 -14.313 7.668 246 H ALA 33 H ALA 33 -3.159 -12.314 6.684 247 HA ALA 33 HA ALA 33 -2.248 -14.728 7.577 248 1HB ALA 33 1HB ALA 33 -1.968 -13.888 5.249 249 2HB ALA 33 2HB ALA 33 -0.601 -12.855 5.750 250 3HB ALA 33 3HB ALA 33 -0.463 -14.625 5.824 251 H THR 34 H THR 34 -0.887 -15.659 8.960 252 HA THR 34 HA THR 34 1.051 -14.191 10.668 253 HB THR 34 HB THR 34 1.317 -16.140 11.883 254 HG1 THR 34 HG1 THR 34 0.765 -17.645 9.535 255 1HG2 THR 34 2HG2 THR 34 -1.201 -15.651 11.597 256 2HG2 THR 34 3HG2 THR 34 -1.250 -16.881 10.306 257 3HG2 THR 34 1HG2 THR 34 -0.856 -17.360 11.966 258 H GLY 35 H GLY 35 1.386 -15.956 7.577 259 1HA GLY 35 1HA GLY 35 3.012 -15.462 5.847 260 2HA GLY 35 2HA GLY 35 3.313 -13.935 6.686 261 1HN NH2 36 1HN NH2 36 5.260 -13.587 7.749 262 2HN NH2 36 2HN NH2 36 6.498 -14.848 8.000 263 1H ACE 37 1HH3 ACE 37 -20.546 -5.068 12.793 264 2H ACE 37 2HH3 ACE 37 -20.130 -5.958 11.289 265 3H ACE 37 3HH3 ACE 37 -19.720 -6.647 12.882 266 H VAL 38 H VAL 38 -19.115 -3.737 10.914 267 HA VAL 38 HA VAL 38 -17.375 -2.059 10.974 268 HB VAL 38 HB VAL 38 -17.429 -3.027 13.879 269 1HG1 VAL 38 1HG1 VAL 38 -15.959 -0.540 12.737 270 2HG1 VAL 38 2HG1 VAL 38 -16.275 -0.806 14.467 271 3HG1 VAL 38 3HG1 VAL 38 -15.219 -1.911 13.582 272 1HG2 VAL 38 1HG2 VAL 38 -19.551 -1.883 13.100 273 2HG2 VAL 38 2HG2 VAL 38 -18.694 -0.876 14.287 274 3HG2 VAL 38 3HG2 VAL 38 -18.602 -0.483 12.552 275 H THR 39 H THR 39 -16.007 -3.328 9.460 276 HA THR 39 HA THR 39 -13.614 -4.715 10.540 277 HB THR 39 HB THR 39 -14.421 -6.947 9.176 278 HG1 THR 39 HG1 THR 39 -16.683 -6.190 10.698 279 1HG2 THR 39 2HG2 THR 39 -14.981 -6.333 12.163 280 2HG2 THR 39 3HG2 THR 39 -14.864 -7.962 11.451 281 3HG2 THR 39 1HG2 THR 39 -13.438 -6.903 11.487 282 H GLU 40 H GLU 40 -15.358 -5.620 7.574 283 HA GLU 40 HA GLU 40 -12.928 -5.112 5.896 284 1HB GLU 40 1HB GLU 40 -15.545 -5.802 4.597 285 2HB GLU 40 2HB GLU 40 -13.931 -6.293 4.181 286 1HG GLU 40 1HG GLU 40 -15.361 -7.396 6.699 287 2HG GLU 40 2HG GLU 40 -15.543 -8.140 5.121 288 H GLU 41 H GLU 41 -16.260 -3.800 5.645 289 HA GLU 41 HA GLU 41 -15.641 -1.671 3.849 290 1HB GLU 41 1HB GLU 41 -17.835 -0.602 4.794 291 2HB GLU 41 2HB GLU 41 -17.864 -2.054 3.842 292 1HG GLU 41 1HG GLU 41 -18.699 -3.372 5.607 293 2HG GLU 41 2HG GLU 41 -17.764 -2.548 6.841 294 H ASP 42 H ASP 42 -15.133 -1.590 7.323 295 HA ASP 42 HA ASP 42 -14.391 1.232 7.479 296 1HB ASP 42 1HB ASP 42 -13.804 -1.226 9.221 297 2HB ASP 42 2HB ASP 42 -13.116 0.339 9.631 298 H ILE 43 H ILE 43 -12.457 -1.582 6.597 299 HA ILE 43 HA ILE 43 -9.810 -0.174 6.366 300 HB ILE 43 HB ILE 43 -10.807 -2.847 5.266 301 1HG1 ILE 43 1HG1 ILE 43 -8.334 -2.761 6.993 302 2HG1 ILE 43 2HG1 ILE 43 -9.784 -2.256 7.817 303 1HG2 ILE 43 1HG2 ILE 43 -9.175 -1.937 3.568 304 2HG2 ILE 43 2HG2 ILE 43 -7.979 -1.631 4.842 305 3HG2 ILE 43 3HG2 ILE 43 -8.451 -3.295 4.418 306 1HD1 ILE 43 1HD1 ILE 43 -10.973 -4.406 7.208 307 2HD1 ILE 43 2HD1 ILE 43 -9.459 -5.016 6.490 308 3HD1 ILE 43 3HD1 ILE 43 -9.533 -4.635 8.224 309 H GLU 44 H GLU 44 -12.566 -0.810 4.228 310 HA GLU 44 HA GLU 44 -11.312 0.296 1.741 311 1HB GLU 44 1HB GLU 44 -12.926 -0.807 0.745 312 2HB GLU 44 2HB GLU 44 -13.562 -1.308 2.282 313 1HG GLU 44 1HG GLU 44 -15.485 -0.050 2.001 314 2HG GLU 44 2HG GLU 44 -14.596 1.410 1.609 315 H ASP 45 H ASP 45 -13.278 1.589 4.345 316 HA ASP 45 HA ASP 45 -13.584 4.312 3.112 317 1HB ASP 45 1HB ASP 45 -14.411 3.038 5.776 318 2HB ASP 45 2HB ASP 45 -14.531 4.779 5.560 319 H LEU 46 H LEU 46 -11.556 2.923 5.672 320 HA LEU 46 HA LEU 46 -9.824 5.250 6.277 321 1HB LEU 46 1HB LEU 46 -9.844 3.105 7.536 322 2HB LEU 46 2HB LEU 46 -9.163 2.246 6.175 323 HG LEU 46 HG LEU 46 -7.069 3.838 6.394 324 1HD1 LEU 46 1HD1 LEU 46 -8.289 5.477 7.918 325 2HD1 LEU 46 2HD1 LEU 46 -8.229 4.269 9.210 326 3HD1 LEU 46 3HD1 LEU 46 -6.707 4.941 8.555 327 1HD2 LEU 46 1HD2 LEU 46 -7.362 1.326 7.245 328 2HD2 LEU 46 2HD2 LEU 46 -5.962 2.273 7.828 329 3HD2 LEU 46 3HD2 LEU 46 -7.408 2.046 8.856 330 H MET 47 H MET 47 -9.284 2.751 3.780 331 HA MET 47 HA MET 47 -7.022 4.090 2.536 332 1HB MET 47 1HB MET 47 -7.204 1.758 2.144 333 2HB MET 47 2HB MET 47 -8.884 1.851 1.645 334 1HG MET 47 1HG MET 47 -7.824 1.502 -0.440 335 2HG MET 47 2HG MET 47 -8.000 3.267 -0.434 336 1HE MET 47 1HE MET 47 -5.854 0.449 -1.132 337 2HE MET 47 2HE MET 47 -5.941 1.793 -2.307 338 3HE MET 47 3HE MET 47 -4.365 1.344 -1.594 339 H LYS 48 H LYS 48 -10.476 4.422 1.917 340 HA LYS 48 HA LYS 48 -10.273 6.021 -0.595 341 1HB LYS 48 1HB LYS 48 -12.271 4.913 -0.436 342 2HB LYS 48 2HB LYS 48 -12.451 5.076 1.284 343 1HG LYS 48 1HG LYS 48 -12.774 7.776 0.368 344 2HG LYS 48 2HG LYS 48 -13.376 6.866 -0.981 345 1HD LYS 48 1HD LYS 48 -14.871 5.521 0.692 346 2HD LYS 48 2HD LYS 48 -14.536 6.727 1.889 347 1HE LYS 48 1HE LYS 48 -15.503 7.823 -0.802 348 2HE LYS 48 2HE LYS 48 -16.647 6.785 0.032 349 1HZ LYS 48 1HZ LYS 48 -15.792 8.438 2.115 350 2HZ LYS 48 2HZ LYS 48 -15.788 9.458 0.841 351 3HZ LYS 48 3HZ LYS 48 -17.150 8.741 1.216 352 H ASP 49 H ASP 49 -10.171 6.767 2.816 353 HA ASP 49 HA ASP 49 -9.965 9.763 2.475 354 1HB ASP 49 1HB ASP 49 -10.615 8.567 4.672 355 2HB ASP 49 2HB ASP 49 -8.934 8.082 4.845 356 H SER 50 H SER 50 -7.631 7.036 2.490 357 HA SER 50 HA SER 50 -5.288 8.827 3.078 358 1HB SER 50 1HB SER 50 -5.701 5.823 2.676 359 2HB SER 50 2HB SER 50 -4.069 6.465 2.521 360 HG SER 50 HG SER 50 -4.336 5.953 4.625 361 H ASP 51 H ASP 51 -6.781 7.448 0.240 362 HA ASP 51 HA ASP 51 -4.360 7.306 -1.415 363 1HB ASP 51 1HB ASP 51 -6.413 5.767 -1.486 364 2HB ASP 51 2HB ASP 51 -7.295 7.032 -2.330 365 H LYS 52 H LYS 52 -6.930 8.670 -3.289 366 HA LYS 52 HA LYS 52 -5.612 11.290 -3.724 367 1HB LYS 52 1HB LYS 52 -5.084 10.402 -6.266 368 2HB LYS 52 2HB LYS 52 -3.879 10.664 -5.040 369 1HG LYS 52 1HG LYS 52 -3.235 8.449 -5.382 370 2HG LYS 52 2HG LYS 52 -4.676 7.968 -4.547 371 1HD LYS 52 1HD LYS 52 -4.979 6.745 -6.471 372 2HD LYS 52 2HD LYS 52 -5.967 8.109 -6.874 373 1HE LYS 52 1HE LYS 52 -3.748 9.051 -8.124 374 2HE LYS 52 2HE LYS 52 -3.123 7.417 -7.904 375 1HZ LYS 52 1HZ LYS 52 -5.774 7.100 -8.913 376 2HZ LYS 52 2HZ LYS 52 -5.186 8.251 -9.829 377 3HZ LYS 52 3HZ LYS 52 -4.411 6.789 -9.755 378 H ASN 53 H ASN 53 -6.450 11.708 -6.437 379 HA ASN 53 HA ASN 53 -9.255 11.958 -6.556 380 1HB ASN 53 1HB ASN 53 -8.907 11.761 -9.176 381 2HB ASN 53 2HB ASN 53 -8.089 13.031 -8.309 382 1HD2 ASN 53 1HD2 ASN 53 -4.876 11.819 -9.217 383 2HD2 ASN 53 2HD2 ASN 53 -5.819 12.990 -8.192 384 H ASN 54 H ASN 54 -7.639 8.954 -6.588 385 HA ASN 54 HA ASN 54 -8.626 6.904 -5.842 386 1HB ASN 54 1HB ASN 54 -11.043 8.818 -5.865 387 2HB ASN 54 2HB ASN 54 -11.282 7.133 -5.497 388 1HD2 ASN 54 1HD2 ASN 54 -9.321 7.521 -2.380 389 2HD2 ASN 54 2HD2 ASN 54 -9.319 6.411 -3.823 390 H ASP 55 H ASP 55 -8.264 5.439 -7.370 391 HA ASP 55 HA ASP 55 -10.583 4.732 -9.239 392 1HB ASP 55 1HB ASP 55 -7.599 4.947 -9.989 393 2HB ASP 55 2HB ASP 55 -8.798 4.181 -11.022 394 H GLY 56 H GLY 56 -7.716 3.516 -7.540 395 1HA GLY 56 1HA GLY 56 -8.979 1.134 -6.539 396 2HA GLY 56 2HA GLY 56 -8.119 0.588 -7.984 397 H ARG 57 H ARG 57 -5.742 2.009 -7.844 398 HA ARG 57 HA ARG 57 -4.501 0.076 -5.821 399 1HB ARG 57 1HB ARG 57 -3.738 0.817 -8.705 400 2HB ARG 57 2HB ARG 57 -2.702 -0.161 -7.665 401 1HG ARG 57 1HG ARG 57 -4.083 -2.050 -7.831 402 2HG ARG 57 2HG ARG 57 -5.574 -1.112 -7.796 403 1HD ARG 57 1HD ARG 57 -4.914 -0.338 -10.267 404 2HD ARG 57 2HD ARG 57 -3.716 -1.630 -10.199 405 HE ARG 57 HE ARG 57 -5.737 -3.210 -9.380 406 1HH1 ARG 57 2HH1 ARG 57 -6.000 -0.815 -11.871 407 2HH1 ARG 57 1HH1 ARG 57 -7.223 -1.839 -12.789 408 1HH2 ARG 57 1HH2 ARG 57 -7.148 -4.230 -10.340 409 2HH2 ARG 57 2HH2 ARG 57 -7.876 -3.675 -11.926 410 H ILE 58 H ILE 58 -2.404 0.422 -4.971 411 HA ILE 58 HA ILE 58 -1.440 3.300 -4.845 412 HB ILE 58 HB ILE 58 -0.957 0.892 -3.029 413 1HG1 ILE 58 1HG1 ILE 58 -2.299 3.633 -2.530 414 2HG1 ILE 58 2HG1 ILE 58 -3.106 2.093 -2.629 415 1HG2 ILE 58 1HG2 ILE 58 1.235 2.155 -3.160 416 2HG2 ILE 58 2HG2 ILE 58 0.408 3.668 -2.741 417 3HG2 ILE 58 3HG2 ILE 58 0.512 2.337 -1.566 418 1HD1 ILE 58 1HD1 ILE 58 -1.921 1.250 -0.550 419 2HD1 ILE 58 2HD1 ILE 58 -1.187 2.862 -0.347 420 3HD1 ILE 58 3HD1 ILE 58 -2.953 2.675 -0.270 421 H ASP 59 H ASP 59 0.559 3.964 -5.537 422 HA ASP 59 HA ASP 59 2.619 1.885 -6.409 423 1HB ASP 59 1HB ASP 59 3.576 3.721 -7.816 424 2HB ASP 59 2HB ASP 59 1.886 3.412 -8.187 425 H PHE 60 H PHE 60 4.960 2.943 -6.281 426 HA PHE 60 HA PHE 60 5.723 2.484 -3.538 427 1HB PHE 60 1HB PHE 60 7.106 2.203 -5.741 428 2HB PHE 60 2HB PHE 60 7.526 3.877 -5.602 429 HD1 PHE 60 HD1 PHE 60 7.536 3.441 -2.298 430 HD2 PHE 60 HD2 PHE 60 9.689 1.877 -5.670 431 HE1 PHE 60 HE1 PHE 60 9.429 2.901 -0.837 432 HE2 PHE 60 HE2 PHE 60 11.591 1.336 -4.193 433 HZ PHE 60 HZ PHE 60 11.477 1.879 -1.778 434 H ASP 61 H ASP 61 5.370 5.594 -5.187 435 HA ASP 61 HA ASP 61 6.169 7.529 -3.169 436 1HB ASP 61 1HB ASP 61 3.548 7.823 -4.843 437 2HB ASP 61 2HB ASP 61 4.846 8.946 -4.510 438 H GLU 62 H GLU 62 2.833 6.540 -3.671 439 HA GLU 62 HA GLU 62 1.575 7.258 -1.179 440 1HB GLU 62 1HB GLU 62 0.981 4.855 -2.957 441 2HB GLU 62 2HB GLU 62 -0.023 5.318 -1.616 442 1HG GLU 62 1HG GLU 62 0.540 7.296 -3.930 443 2HG GLU 62 2HG GLU 62 -0.734 6.096 -4.046 444 H PHE 63 H PHE 63 3.681 4.418 -1.689 445 HA PHE 63 HA PHE 63 3.103 2.978 0.860 446 1HB PHE 63 1HB PHE 63 4.272 2.012 -1.184 447 2HB PHE 63 2HB PHE 63 5.646 3.018 -0.875 448 HD1 PHE 63 HD1 PHE 63 7.278 2.593 0.884 449 HD2 PHE 63 HD2 PHE 63 3.964 -0.091 0.306 450 HE1 PHE 63 HE1 PHE 63 8.392 0.914 2.264 451 HE2 PHE 63 HE2 PHE 63 5.104 -1.769 1.704 452 HZ PHE 63 HZ PHE 63 7.268 -1.228 2.777 453 H LEU 64 H LEU 64 5.683 5.276 -0.051 454 HA LEU 64 HA LEU 64 6.929 5.579 2.529 455 1HB LEU 64 1HB LEU 64 6.733 7.539 0.186 456 2HB LEU 64 2HB LEU 64 7.677 7.910 1.607 457 HG LEU 64 HG LEU 64 8.183 5.400 -0.100 458 1HD1 LEU 64 1HD1 LEU 64 9.460 8.211 -0.338 459 2HD1 LEU 64 2HD1 LEU 64 10.092 6.735 -1.117 460 3HD1 LEU 64 3HD1 LEU 64 8.489 7.335 -1.553 461 1HD2 LEU 64 1HD2 LEU 64 9.936 6.846 2.020 462 2HD2 LEU 64 2HD2 LEU 64 9.227 5.210 2.150 463 3HD2 LEU 64 3HD2 LEU 64 10.499 5.527 0.963 464 H LYS 65 H LYS 65 4.311 7.625 1.220 465 HA LYS 65 HA LYS 65 4.133 9.292 3.710 466 1HB LYS 65 1HB LYS 65 2.913 10.703 2.327 467 2HB LYS 65 2HB LYS 65 3.966 9.911 1.171 468 1HG LYS 65 1HG LYS 65 2.042 8.566 0.315 469 2HG LYS 65 2HG LYS 65 1.031 9.066 1.682 470 1HD LYS 65 1HD LYS 65 2.165 11.447 0.414 471 2HD LYS 65 2HD LYS 65 1.400 10.480 -0.850 472 1HE LYS 65 1HE LYS 65 -0.395 11.893 -0.170 473 2HE LYS 65 2HE LYS 65 -0.688 10.491 0.875 474 1HZ LYS 65 1HZ LYS 65 1.181 12.638 1.901 475 2HZ LYS 65 2HZ LYS 65 -0.444 12.848 2.089 476 3HZ LYS 65 3HZ LYS 65 0.328 11.577 2.756 477 H MET 66 H MET 66 2.164 6.596 2.346 478 HA MET 66 HA MET 66 0.315 6.331 4.529 479 1HB MET 66 1HB MET 66 0.031 4.981 2.556 480 2HB MET 66 2HB MET 66 1.641 4.302 2.667 481 1HG MET 66 1HG MET 66 0.588 3.371 5.080 482 2HG MET 66 2HG MET 66 -0.854 3.361 4.048 483 1HE MET 66 1HE MET 66 1.044 3.261 1.235 484 2HE MET 66 2HE MET 66 0.782 1.542 0.818 485 3HE MET 66 3HE MET 66 -0.591 2.545 1.376 486 H MET 67 H MET 67 3.478 4.610 4.342 487 HA MET 67 HA MET 67 3.602 3.504 6.968 488 1HB MET 67 1HB MET 67 5.312 3.232 5.015 489 2HB MET 67 2HB MET 67 6.043 4.731 5.551 490 1HG MET 67 1HG MET 67 6.768 3.812 7.679 491 2HG MET 67 2HG MET 67 5.752 2.368 7.507 492 1HE MET 67 1HE MET 67 5.993 0.642 5.498 493 2HE MET 67 2HE MET 67 7.647 -0.037 5.363 494 3HE MET 67 3HE MET 67 6.892 0.177 6.973 495 H GLU 68 H GLU 68 4.650 6.785 6.016 496 HA GLU 68 HA GLU 68 5.344 7.639 8.811 497 1HB GLU 68 1HB GLU 68 5.300 9.095 6.147 498 2HB GLU 68 2HB GLU 68 5.465 9.984 7.630 499 1HG GLU 68 1HG GLU 68 7.436 7.682 7.104 500 2HG GLU 68 2HG GLU 68 7.639 9.181 6.216 501 H GLY 69 H GLY 69 2.801 8.851 6.562 502 1HA GLY 69 1HA GLY 69 0.753 10.075 7.006 503 2HA GLY 69 2HA GLY 69 0.642 9.031 8.427 504 H VAL 70 H VAL 70 3.160 11.505 7.998 505 HA VAL 70 HA VAL 70 2.093 12.922 10.506 506 HB VAL 70 HB VAL 70 4.331 11.400 10.677 507 1HG1 VAL 70 1HG1 VAL 70 5.432 14.190 9.880 508 2HG1 VAL 70 2HG1 VAL 70 6.390 12.892 10.637 509 3HG1 VAL 70 3HG1 VAL 70 5.722 12.660 9.020 510 1HG2 VAL 70 1HG2 VAL 70 3.251 12.615 12.613 511 2HG2 VAL 70 2HG2 VAL 70 5.002 12.747 12.683 512 3HG2 VAL 70 3HG2 VAL 70 4.025 14.138 12.123 513 H GLN 71 H GLN 71 1.368 14.789 9.841 514 HA GLN 71 HA GLN 71 1.726 15.990 7.295 515 1HB GLN 71 1HB GLN 71 -0.215 16.576 8.465 516 2HB GLN 71 2HB GLN 71 0.648 17.046 9.928 517 1HG GLN 71 1HG GLN 71 1.369 19.165 8.942 518 2HG GLN 71 2HG GLN 71 0.991 18.667 7.304 519 1HE2 GLN 71 1HE2 GLN 71 -1.746 20.690 9.347 520 2HE2 GLN 71 2HE2 GLN 71 0.005 20.446 9.888 521 1HN NH2 72 1HN NH2 72 3.529 16.937 10.344 522 2HN NH2 72 2HN NH2 72 4.743 17.953 9.522 No H/Q in entry = 522 Start of MODEL 17 1 1H ACE 1 1HH3 ACE 1 16.647 10.860 6.279 2 2H ACE 1 2HH3 ACE 1 18.065 11.595 5.450 3 3H ACE 1 3HH3 ACE 1 16.562 12.531 5.681 4 H LYS 2 H LYS 2 17.250 9.250 4.403 5 HA LYS 2 HA LYS 2 15.749 9.678 1.839 6 1HB LYS 2 1HB LYS 2 18.728 10.225 2.060 7 2HB LYS 2 2HB LYS 2 18.144 9.533 0.562 8 1HG LYS 2 1HG LYS 2 16.400 11.658 0.660 9 2HG LYS 2 2HG LYS 2 17.522 12.284 1.840 10 1HD LYS 2 1HD LYS 2 17.928 13.118 -0.538 11 2HD LYS 2 2HD LYS 2 19.361 12.407 0.207 12 1HE LYS 2 1HE LYS 2 17.629 10.408 -1.246 13 2HE LYS 2 2HE LYS 2 18.339 11.630 -2.318 14 1HZ LYS 2 1HZ LYS 2 20.524 11.091 -0.850 15 2HZ LYS 2 2HZ LYS 2 19.864 9.714 -0.507 16 3HZ LYS 2 3HZ LYS 2 20.212 10.097 -2.087 17 H SER 3 H SER 3 14.904 7.667 1.870 18 HA SER 3 HA SER 3 16.658 5.197 2.287 19 1HB SER 3 1HB SER 3 15.610 6.483 4.437 20 2HB SER 3 2HB SER 3 14.224 5.479 4.085 21 HG SER 3 HG SER 3 15.275 3.739 4.648 22 H GLU 4 H GLU 4 16.207 4.135 0.439 23 HA GLU 4 HA GLU 4 13.300 3.811 -0.438 24 1HB GLU 4 1HB GLU 4 13.676 4.007 -2.720 25 2HB GLU 4 2HB GLU 4 14.355 5.393 -1.902 26 1HG GLU 4 1HG GLU 4 16.638 4.791 -2.514 27 2HG GLU 4 2HG GLU 4 16.216 3.115 -2.849 28 H GLU 5 H GLU 5 16.405 2.303 -0.022 29 HA GLU 5 HA GLU 5 16.153 0.018 -1.628 30 1HB GLU 5 1HB GLU 5 18.272 0.426 -0.851 31 2HB GLU 5 2HB GLU 5 17.802 0.622 0.810 32 1HG GLU 5 1HG GLU 5 17.312 -2.094 0.595 33 2HG GLU 5 2HG GLU 5 18.500 -1.948 -0.687 34 H GLU 6 H GLU 6 15.168 0.001 1.818 35 HA GLU 6 HA GLU 6 14.338 -2.882 1.727 36 1HB GLU 6 1HB GLU 6 13.822 -2.700 4.069 37 2HB GLU 6 2HB GLU 6 15.411 -2.083 3.736 38 1HG GLU 6 1HG GLU 6 14.100 0.338 3.771 39 2HG GLU 6 2HG GLU 6 12.947 -0.567 4.736 40 H LEU 7 H LEU 7 12.686 0.196 1.411 41 HA LEU 7 HA LEU 7 9.941 -1.023 1.294 42 1HB LEU 7 1HB LEU 7 10.956 1.792 0.615 43 2HB LEU 7 2HB LEU 7 9.273 1.332 0.542 44 HG LEU 7 HG LEU 7 10.990 1.913 2.947 45 1HD1 LEU 7 1HD1 LEU 7 9.275 3.519 2.128 46 2HD1 LEU 7 2HD1 LEU 7 7.984 2.306 2.321 47 3HD1 LEU 7 3HD1 LEU 7 8.850 2.939 3.745 48 1HD2 LEU 7 1HD2 LEU 7 8.694 -0.180 3.094 49 2HD2 LEU 7 2HD2 LEU 7 10.411 -0.448 3.501 50 3HD2 LEU 7 3HD2 LEU 7 9.435 0.632 4.499 51 H ALA 8 H ALA 8 12.339 -0.052 -1.183 52 HA ALA 8 HA ALA 8 10.832 -0.935 -3.490 53 1HB ALA 8 1HB ALA 8 13.879 -0.945 -2.949 54 2HB ALA 8 2HB ALA 8 13.124 -1.101 -4.548 55 3HB ALA 8 3HB ALA 8 12.916 0.391 -3.623 56 H ASN 9 H ASN 9 13.405 -2.996 -1.957 57 HA ASN 9 HA ASN 9 12.587 -5.579 -2.717 58 1HB ASN 9 1HB ASN 9 13.416 -4.808 0.167 59 2HB ASN 9 2HB ASN 9 13.528 -6.398 -0.534 60 1HD2 ASN 9 1HD2 ASN 9 16.176 -4.584 -2.766 61 2HD2 ASN 9 2HD2 ASN 9 14.411 -4.817 -3.146 62 H ALA 10 H ALA 10 10.973 -3.672 -0.192 63 HA ALA 10 HA ALA 10 9.011 -5.765 0.647 64 1HB ALA 10 1HB ALA 10 9.830 -3.929 2.140 65 2HB ALA 10 2HB ALA 10 9.044 -2.702 1.113 66 3HB ALA 10 3HB ALA 10 8.061 -3.889 1.999 67 H PHE 11 H PHE 11 8.727 -2.886 -1.471 68 HA PHE 11 HA PHE 11 5.945 -3.325 -2.276 69 1HB PHE 11 1HB PHE 11 7.164 -1.143 -2.379 70 2HB PHE 11 2HB PHE 11 8.186 -1.742 -3.642 71 HD1 PHE 11 HD1 PHE 11 7.296 -2.142 -5.979 72 HD2 PHE 11 HD2 PHE 11 4.889 -0.252 -2.955 73 HE1 PHE 11 HE1 PHE 11 5.715 -1.376 -7.703 74 HE2 PHE 11 HE2 PHE 11 3.353 0.557 -4.702 75 HZ PHE 11 HZ PHE 11 3.773 0.005 -7.079 76 H ARG 12 H ARG 12 8.959 -4.298 -3.959 77 HA ARG 12 HA ARG 12 7.807 -6.035 -5.978 78 1HB ARG 12 1HB ARG 12 10.304 -5.428 -5.507 79 2HB ARG 12 2HB ARG 12 10.312 -6.759 -4.356 80 1HG ARG 12 1HG ARG 12 9.286 -8.141 -6.479 81 2HG ARG 12 2HG ARG 12 10.041 -6.845 -7.415 82 1HD ARG 12 1HD ARG 12 12.024 -7.981 -7.282 83 2HD ARG 12 2HD ARG 12 12.071 -7.591 -5.540 84 HE ARG 12 HE ARG 12 10.443 -10.024 -6.441 85 1HH1 ARG 12 2HH1 ARG 12 13.163 -8.807 -4.673 86 2HH1 ARG 12 1HH1 ARG 12 13.397 -10.389 -3.785 87 1HH2 ARG 12 1HH2 ARG 12 10.732 -11.788 -5.454 88 2HH2 ARG 12 2HH2 ARG 12 12.072 -12.005 -4.236 89 H ILE 13 H ILE 13 8.511 -6.910 -2.528 90 HA ILE 13 HA ILE 13 8.082 -9.827 -3.003 91 HB ILE 13 HB ILE 13 8.507 -8.158 -0.483 92 1HG1 ILE 13 1HG1 ILE 13 10.482 -8.969 -2.118 93 2HG1 ILE 13 2HG1 ILE 13 10.685 -8.954 -0.388 94 1HG2 ILE 13 1HG2 ILE 13 6.934 -10.011 0.203 95 2HG2 ILE 13 2HG2 ILE 13 8.007 -11.226 -0.532 96 3HG2 ILE 13 3HG2 ILE 13 8.521 -10.299 0.891 97 1HD1 ILE 13 1HD1 ILE 13 10.185 -11.414 -0.207 98 2HD1 ILE 13 2HD1 ILE 13 10.032 -11.507 -1.978 99 3HD1 ILE 13 3HD1 ILE 13 11.586 -11.065 -1.245 100 H PHE 14 H PHE 14 6.090 -7.138 -1.940 101 HA PHE 14 HA PHE 14 3.611 -8.516 -1.140 102 1HB PHE 14 1HB PHE 14 4.102 -5.797 -2.518 103 2HB PHE 14 2HB PHE 14 2.509 -6.347 -2.115 104 HD1 PHE 14 HD1 PHE 14 5.091 -7.321 0.329 105 HD2 PHE 14 HD2 PHE 14 2.309 -4.234 -0.760 106 HE1 PHE 14 HE1 PHE 14 5.225 -6.394 2.606 107 HE2 PHE 14 HE2 PHE 14 2.465 -3.299 1.514 108 HZ PHE 14 HZ PHE 14 3.898 -4.400 3.214 109 H ASP 15 H ASP 15 4.419 -7.126 -4.349 110 HA ASP 15 HA ASP 15 2.071 -8.203 -5.659 111 1HB ASP 15 1HB ASP 15 3.241 -6.118 -6.331 112 2HB ASP 15 2HB ASP 15 4.658 -7.016 -6.851 113 H LYS 16 H LYS 16 1.722 -9.847 -7.206 114 HA LYS 16 HA LYS 16 3.251 -12.327 -6.359 115 1HB LYS 16 1HB LYS 16 0.609 -12.347 -7.917 116 2HB LYS 16 2HB LYS 16 1.335 -13.674 -7.052 117 1HG LYS 16 1HG LYS 16 0.040 -11.126 -5.838 118 2HG LYS 16 2HG LYS 16 -0.684 -12.728 -5.907 119 1HD LYS 16 1HD LYS 16 1.869 -12.029 -4.309 120 2HD LYS 16 2HD LYS 16 0.237 -12.097 -3.647 121 1HE LYS 16 1HE LYS 16 0.935 -14.645 -5.017 122 2HE LYS 16 2HE LYS 16 2.017 -14.286 -3.656 123 1HZ LYS 16 1HZ LYS 16 -0.398 -13.591 -2.527 124 2HZ LYS 16 2HZ LYS 16 -0.935 -14.739 -3.588 125 3HZ LYS 16 3HZ LYS 16 0.190 -15.125 -2.476 126 H ASN 17 H ASN 17 2.226 -10.505 -9.211 127 HA ASN 17 HA ASN 17 3.583 -12.470 -11.063 128 1HB ASN 17 1HB ASN 17 1.555 -10.253 -11.706 129 2HB ASN 17 2HB ASN 17 2.160 -11.417 -12.854 130 1HD2 ASN 17 1HD2 ASN 17 -0.067 -13.966 -11.593 131 2HD2 ASN 17 2HD2 ASN 17 1.442 -13.710 -12.530 132 H ALA 18 H ALA 18 3.983 -9.166 -10.070 133 HA ALA 18 HA ALA 18 6.003 -7.864 -10.158 134 1HB ALA 18 1HB ALA 18 7.000 -10.178 -10.019 135 2HB ALA 18 2HB ALA 18 6.982 -10.287 -11.793 136 3HB ALA 18 3HB ALA 18 8.015 -9.086 -11.000 137 H ASP 19 H ASP 19 3.993 -7.300 -12.197 138 HA ASP 19 HA ASP 19 5.543 -5.984 -14.418 139 1HB ASP 19 1HB ASP 19 2.713 -5.360 -13.354 140 2HB ASP 19 2HB ASP 19 3.399 -4.777 -14.864 141 H GLY 20 H GLY 20 5.516 -5.486 -11.095 142 1HA GLY 20 1HA GLY 20 6.460 -3.685 -9.760 143 2HA GLY 20 2HA GLY 20 6.635 -2.732 -11.239 144 H TYR 21 H TYR 21 3.398 -3.743 -10.836 145 HA TYR 21 HA TYR 21 2.615 -1.235 -9.234 146 1HB TYR 21 1HB TYR 21 0.940 -2.894 -11.227 147 2HB TYR 21 2HB TYR 21 0.304 -1.603 -10.253 148 HD1 TYR 21 HD1 TYR 21 2.028 0.667 -10.443 149 HD2 TYR 21 HD2 TYR 21 1.238 -2.255 -13.498 150 HE1 TYR 21 HE1 TYR 21 2.518 2.340 -12.182 151 HE2 TYR 21 HE2 TYR 21 1.764 -0.563 -15.222 152 HH TYR 21 HH TYR 21 1.637 2.372 -14.996 153 H ILE 22 H ILE 22 1.027 -1.398 -7.581 154 HA ILE 22 HA ILE 22 0.136 -4.185 -6.695 155 HB ILE 22 HB ILE 22 -0.018 -1.517 -5.192 156 1HG1 ILE 22 1HG1 ILE 22 1.839 -3.951 -4.766 157 2HG1 ILE 22 2HG1 ILE 22 2.318 -2.338 -5.220 158 1HG2 ILE 22 1HG2 ILE 22 -1.944 -3.021 -4.515 159 2HG2 ILE 22 2HG2 ILE 22 -0.813 -4.343 -4.163 160 3HG2 ILE 22 3HG2 ILE 22 -0.809 -2.852 -3.186 161 1HD1 ILE 22 1HD1 ILE 22 1.512 -1.412 -2.987 162 2HD1 ILE 22 2HD1 ILE 22 1.214 -3.085 -2.452 163 3HD1 ILE 22 3HD1 ILE 22 2.860 -2.571 -2.874 164 H ASP 23 H ASP 23 -2.084 -4.679 -6.371 165 HA ASP 23 HA ASP 23 -4.144 -2.675 -7.415 166 1HB ASP 23 1HB ASP 23 -5.546 -4.827 -7.800 167 2HB ASP 23 2HB ASP 23 -4.141 -4.593 -8.831 168 H ILE 24 H ILE 24 -6.333 -2.853 -6.495 169 HA ILE 24 HA ILE 24 -6.389 -2.327 -3.562 170 HB ILE 24 HB ILE 24 -8.055 -1.439 -5.350 171 1HG1 ILE 24 1HG1 ILE 24 -9.631 -0.801 -3.714 172 2HG1 ILE 24 2HG1 ILE 24 -9.707 -2.382 -2.984 173 1HG2 ILE 24 1HG2 ILE 24 -8.865 -3.655 -6.281 174 2HG2 ILE 24 2HG2 ILE 24 -9.535 -4.092 -4.697 175 3HG2 ILE 24 3HG2 ILE 24 -10.213 -2.736 -5.635 176 1HD1 ILE 24 1HD1 ILE 24 -7.412 -2.061 -1.928 177 2HD1 ILE 24 2HD1 ILE 24 -7.434 -0.373 -2.496 178 3HD1 ILE 24 3HD1 ILE 24 -8.665 -0.933 -1.345 179 H GLU 25 H GLU 25 -6.829 -5.215 -5.510 180 HA GLU 25 HA GLU 25 -8.172 -6.838 -3.374 181 1HB GLU 25 1HB GLU 25 -8.645 -7.101 -5.823 182 2HB GLU 25 2HB GLU 25 -7.059 -7.768 -6.066 183 1HG GLU 25 1HG GLU 25 -8.324 -9.753 -5.931 184 2HG GLU 25 2HG GLU 25 -7.850 -9.628 -4.247 185 H GLU 26 H GLU 26 -4.883 -6.460 -4.542 186 HA GLU 26 HA GLU 26 -3.726 -8.564 -2.740 187 1HB GLU 26 1HB GLU 26 -2.418 -6.508 -4.567 188 2HB GLU 26 2HB GLU 26 -1.484 -7.530 -3.517 189 1HG GLU 26 1HG GLU 26 -2.827 -9.543 -4.801 190 2HG GLU 26 2HG GLU 26 -3.056 -8.314 -6.032 191 H LEU 27 H LEU 27 -4.278 -5.114 -2.487 192 HA LEU 27 HA LEU 27 -2.344 -4.253 -0.451 193 1HB LEU 27 1HB LEU 27 -3.816 -2.738 -1.766 194 2HB LEU 27 2HB LEU 27 -5.236 -3.347 -0.956 195 HG LEU 27 HG LEU 27 -3.422 -2.405 1.128 196 1HD1 LEU 27 1HD1 LEU 27 -2.304 -1.068 -0.659 197 2HD1 LEU 27 2HD1 LEU 27 -3.858 -0.319 -1.122 198 3HD1 LEU 27 3HD1 LEU 27 -3.143 -0.028 0.490 199 1HD2 LEU 27 1HD2 LEU 27 -6.072 -1.166 0.070 200 2HD2 LEU 27 2HD2 LEU 27 -5.930 -2.420 1.338 201 3HD2 LEU 27 3HD2 LEU 27 -5.279 -0.803 1.628 202 H GLY 28 H GLY 28 -5.772 -4.927 0.350 203 1HA GLY 28 1HA GLY 28 -5.499 -4.860 3.246 204 2HA GLY 28 2HA GLY 28 -6.781 -5.730 2.393 205 H GLU 29 H GLU 29 -5.285 -7.705 1.086 206 HA GLU 29 HA GLU 29 -4.931 -9.652 3.288 207 1HB GLU 29 1HB GLU 29 -5.010 -9.815 0.289 208 2HB GLU 29 2HB GLU 29 -4.241 -11.135 1.116 209 1HG GLU 29 1HG GLU 29 -6.875 -11.205 0.521 210 2HG GLU 29 2HG GLU 29 -6.282 -11.980 1.978 211 H ILE 30 H ILE 30 -2.649 -7.916 1.296 212 HA ILE 30 HA ILE 30 -0.099 -9.125 2.245 213 HB ILE 30 HB ILE 30 -0.794 -6.296 1.316 214 1HG1 ILE 30 1HG1 ILE 30 1.328 -7.944 -0.096 215 2HG1 ILE 30 2HG1 ILE 30 -0.304 -8.536 -0.256 216 1HG2 ILE 30 1HG2 ILE 30 1.065 -6.074 3.005 217 2HG2 ILE 30 2HG2 ILE 30 2.024 -7.302 2.139 218 3HG2 ILE 30 3HG2 ILE 30 1.660 -5.724 1.386 219 1HD1 ILE 30 1HD1 ILE 30 0.494 -5.674 -1.115 220 2HD1 ILE 30 2HD1 ILE 30 0.215 -7.080 -2.164 221 3HD1 ILE 30 3HD1 ILE 30 -1.130 -6.402 -1.225 222 H LEU 31 H LEU 31 -2.001 -6.355 3.506 223 HA LEU 31 HA LEU 31 -0.295 -5.784 5.862 224 1HB LEU 31 1HB LEU 31 -3.249 -5.204 6.020 225 2HB LEU 31 2HB LEU 31 -1.896 -4.225 6.531 226 HG LEU 31 HG LEU 31 -2.776 -4.608 3.606 227 1HD1 LEU 31 1HD1 LEU 31 -3.159 -2.235 5.553 228 2HD1 LEU 31 2HD1 LEU 31 -3.515 -2.204 3.805 229 3HD1 LEU 31 3HD1 LEU 31 -4.421 -3.292 4.861 230 1HD2 LEU 31 1HD2 LEU 31 -0.587 -2.766 4.809 231 2HD2 LEU 31 2HD2 LEU 31 -0.342 -4.101 3.649 232 3HD2 LEU 31 3HD2 LEU 31 -1.213 -2.649 3.143 233 H ARG 32 H ARG 32 -3.247 -7.753 5.563 234 HA ARG 32 HA ARG 32 -3.250 -8.373 8.496 235 1HB ARG 32 1HB ARG 32 -5.069 -8.091 6.243 236 2HB ARG 32 2HB ARG 32 -5.394 -9.659 6.980 237 1HG ARG 32 1HG ARG 32 -5.164 -7.097 8.694 238 2HG ARG 32 2HG ARG 32 -6.648 -7.453 7.791 239 1HD ARG 32 1HD ARG 32 -5.615 -9.815 9.361 240 2HD ARG 32 2HD ARG 32 -6.046 -8.426 10.384 241 HE ARG 32 HE ARG 32 -8.280 -8.495 8.731 242 1HH1 ARG 32 2HH1 ARG 32 -6.712 -11.146 10.338 243 2HH1 ARG 32 1HH1 ARG 32 -8.267 -12.099 10.444 244 1HH2 ARG 32 1HH2 ARG 32 -10.016 -9.587 8.890 245 2HH2 ARG 32 2HH2 ARG 32 -10.034 -11.242 9.655 246 H ALA 33 H ALA 33 -2.837 -10.292 5.501 247 HA ALA 33 HA ALA 33 -2.250 -12.820 6.942 248 1HB ALA 33 1HB ALA 33 -3.385 -12.735 4.727 249 2HB ALA 33 2HB ALA 33 -1.930 -12.033 3.970 250 3HB ALA 33 3HB ALA 33 -1.895 -13.686 4.620 251 H THR 34 H THR 34 -0.238 -14.123 6.658 252 HA THR 34 HA THR 34 2.273 -12.466 6.929 253 HB THR 34 HB THR 34 2.782 -13.426 9.240 254 HG1 THR 34 HG1 THR 34 0.070 -13.543 9.763 255 1HG2 THR 34 2HG2 THR 34 1.944 -11.020 8.829 256 2HG2 THR 34 3HG2 THR 34 0.284 -11.591 9.137 257 3HG2 THR 34 1HG2 THR 34 1.492 -11.656 10.432 258 H GLY 35 H GLY 35 3.512 -13.613 5.510 259 1HA GLY 35 1HA GLY 35 4.686 -15.579 4.607 260 2HA GLY 35 2HA GLY 35 3.661 -16.625 5.598 261 1HN NH2 36 1HN NH2 36 3.963 -17.826 3.347 262 2HN NH2 36 2HN NH2 36 2.586 -17.621 2.232 263 1H ACE 37 1HH3 ACE 37 -7.862 -2.043 14.676 264 2H ACE 37 2HH3 ACE 37 -6.192 -2.310 14.065 265 3H ACE 37 3HH3 ACE 37 -6.708 -0.685 14.589 266 H VAL 38 H VAL 38 -7.995 -3.170 12.259 267 HA VAL 38 HA VAL 38 -8.268 -1.139 10.098 268 HB VAL 38 HB VAL 38 -6.464 -2.419 8.616 269 1HG1 VAL 38 1HG1 VAL 38 -5.719 -0.174 10.631 270 2HG1 VAL 38 2HG1 VAL 38 -4.732 -0.617 9.219 271 3HG1 VAL 38 3HG1 VAL 38 -6.354 0.045 8.990 272 1HG2 VAL 38 1HG2 VAL 38 -5.630 -4.018 10.394 273 2HG2 VAL 38 2HG2 VAL 38 -4.334 -2.916 9.883 274 3HG2 VAL 38 3HG2 VAL 38 -5.178 -2.644 11.427 275 H THR 39 H THR 39 -10.250 -1.970 9.698 276 HA THR 39 HA THR 39 -10.766 -4.965 9.407 277 HB THR 39 HB THR 39 -13.203 -3.865 8.830 278 HG1 THR 39 HG1 THR 39 -12.415 -2.292 10.991 279 1HG2 THR 39 2HG2 THR 39 -12.043 -4.332 11.669 280 2HG2 THR 39 3HG2 THR 39 -13.775 -4.291 11.258 281 3HG2 THR 39 1HG2 THR 39 -12.740 -5.580 10.609 282 H GLU 40 H GLU 40 -12.623 -5.030 7.438 283 HA GLU 40 HA GLU 40 -11.160 -4.574 4.861 284 1HB GLU 40 1HB GLU 40 -12.456 -6.601 5.144 285 2HB GLU 40 2HB GLU 40 -13.926 -5.726 5.447 286 1HG GLU 40 1HG GLU 40 -14.423 -5.562 3.185 287 2HG GLU 40 2HG GLU 40 -12.816 -5.002 2.760 288 H GLU 41 H GLU 41 -14.266 -3.257 6.105 289 HA GLU 41 HA GLU 41 -14.651 -1.213 4.191 290 1HB GLU 41 1HB GLU 41 -15.901 -2.020 6.562 291 2HB GLU 41 2HB GLU 41 -15.531 -0.355 6.889 292 1HG GLU 41 1HG GLU 41 -16.715 0.031 4.434 293 2HG GLU 41 2HG GLU 41 -17.467 -1.507 4.816 294 H ASP 42 H ASP 42 -12.338 -1.067 6.790 295 HA ASP 42 HA ASP 42 -11.813 1.914 6.525 296 1HB ASP 42 1HB ASP 42 -10.645 -0.286 8.334 297 2HB ASP 42 2HB ASP 42 -9.943 1.325 8.264 298 H ILE 43 H ILE 43 -10.044 -1.131 5.850 299 HA ILE 43 HA ILE 43 -7.852 -0.142 4.296 300 HB ILE 43 HB ILE 43 -9.456 -2.701 4.060 301 1HG1 ILE 43 1HG1 ILE 43 -6.399 -2.506 4.318 302 2HG1 ILE 43 2HG1 ILE 43 -7.400 -2.222 5.716 303 1HG2 ILE 43 1HG2 ILE 43 -8.948 -2.182 1.640 304 2HG2 ILE 43 2HG2 ILE 43 -7.234 -1.932 2.026 305 3HG2 ILE 43 3HG2 ILE 43 -7.975 -3.546 2.171 306 1HD1 ILE 43 1HD1 ILE 43 -8.482 -4.500 5.503 307 2HD1 ILE 43 2HD1 ILE 43 -7.365 -4.883 4.166 308 3HD1 ILE 43 3HD1 ILE 43 -6.728 -4.553 5.791 309 H GLU 44 H GLU 44 -11.182 -0.649 3.115 310 HA GLU 44 HA GLU 44 -10.598 0.286 0.326 311 1HB GLU 44 1HB GLU 44 -12.894 -0.934 1.732 312 2HB GLU 44 2HB GLU 44 -13.393 0.297 0.613 313 1HG GLU 44 1HG GLU 44 -11.432 -1.539 -0.693 314 2HG GLU 44 2HG GLU 44 -12.764 -2.443 0.003 315 H ASP 45 H ASP 45 -11.847 1.761 3.250 316 HA ASP 45 HA ASP 45 -12.632 4.388 2.019 317 1HB ASP 45 1HB ASP 45 -12.455 3.262 4.853 318 2HB ASP 45 2HB ASP 45 -12.526 5.006 4.649 319 H LEU 46 H LEU 46 -9.741 3.137 3.677 320 HA LEU 46 HA LEU 46 -7.960 5.465 3.243 321 1HB LEU 46 1HB LEU 46 -7.436 3.497 4.674 322 2HB LEU 46 2HB LEU 46 -7.330 2.452 3.277 323 HG LEU 46 HG LEU 46 -5.377 4.131 2.478 324 1HD1 LEU 46 1HD1 LEU 46 -6.027 5.593 4.633 325 2HD1 LEU 46 2HD1 LEU 46 -4.939 4.475 5.469 326 3HD1 LEU 46 3HD1 LEU 46 -4.322 5.462 4.112 327 1HD2 LEU 46 1HD2 LEU 46 -5.303 1.729 4.305 328 2HD2 LEU 46 2HD2 LEU 46 -4.371 2.090 2.821 329 3HD2 LEU 46 3HD2 LEU 46 -3.857 2.780 4.362 330 H MET 47 H MET 47 -8.486 2.682 1.072 331 HA MET 47 HA MET 47 -6.861 3.838 -1.100 332 1HB MET 47 1HB MET 47 -7.920 1.284 -0.461 333 2HB MET 47 2HB MET 47 -8.728 1.703 -1.962 334 1HG MET 47 1HG MET 47 -5.733 2.190 -1.964 335 2HG MET 47 2HG MET 47 -6.273 0.502 -1.923 336 1HE MET 47 1HE MET 47 -4.581 1.259 -4.173 337 2HE MET 47 2HE MET 47 -5.484 -0.284 -4.192 338 3HE MET 47 3HE MET 47 -5.481 0.756 -5.646 339 H LYS 48 H LYS 48 -10.274 4.290 -0.346 340 HA LYS 48 HA LYS 48 -10.696 5.870 -2.865 341 1HB LYS 48 1HB LYS 48 -12.238 5.186 -0.363 342 2HB LYS 48 2HB LYS 48 -12.764 6.628 -1.174 343 1HG LYS 48 1HG LYS 48 -13.796 5.385 -2.905 344 2HG LYS 48 2HG LYS 48 -12.417 4.348 -3.092 345 1HD LYS 48 1HD LYS 48 -13.372 3.443 -0.621 346 2HD LYS 48 2HD LYS 48 -14.875 3.826 -1.394 347 1HE LYS 48 1HE LYS 48 -12.705 2.026 -2.734 348 2HE LYS 48 2HE LYS 48 -13.930 1.385 -1.653 349 1HZ LYS 48 1HZ LYS 48 -14.941 3.092 -3.876 350 2HZ LYS 48 2HZ LYS 48 -14.434 1.662 -4.331 351 3HZ LYS 48 3HZ LYS 48 -15.665 1.780 -3.229 352 H ASP 49 H ASP 49 -9.775 6.573 0.482 353 HA ASP 49 HA ASP 49 -10.042 9.572 0.220 354 1HB ASP 49 1HB ASP 49 -10.440 8.286 2.404 355 2HB ASP 49 2HB ASP 49 -8.712 7.976 2.502 356 H SER 50 H SER 50 -7.447 7.196 -0.018 357 HA SER 50 HA SER 50 -5.236 9.267 -0.207 358 1HB SER 50 1HB SER 50 -5.093 6.860 0.914 359 2HB SER 50 2HB SER 50 -4.912 6.248 -0.728 360 HG SER 50 HG SER 50 -3.167 7.669 0.864 361 H ASP 51 H ASP 51 -7.297 7.430 -2.341 362 HA ASP 51 HA ASP 51 -5.755 7.644 -4.796 363 1HB ASP 51 1HB ASP 51 -7.897 6.197 -4.104 364 2HB ASP 51 2HB ASP 51 -8.816 7.521 -4.806 365 H LYS 52 H LYS 52 -7.540 8.847 -6.722 366 HA LYS 52 HA LYS 52 -6.996 11.769 -6.303 367 1HB LYS 52 1HB LYS 52 -5.234 10.279 -8.311 368 2HB LYS 52 2HB LYS 52 -5.114 11.965 -7.911 369 1HG LYS 52 1HG LYS 52 -4.251 9.502 -6.237 370 2HG LYS 52 2HG LYS 52 -3.253 10.788 -6.840 371 1HD LYS 52 1HD LYS 52 -5.238 12.025 -5.099 372 2HD LYS 52 2HD LYS 52 -4.575 10.694 -4.211 373 1HE LYS 52 1HE LYS 52 -2.978 12.336 -3.605 374 2HE LYS 52 2HE LYS 52 -2.184 11.780 -5.077 375 1HZ LYS 52 1HZ LYS 52 -4.256 13.953 -5.439 376 2HZ LYS 52 2HZ LYS 52 -2.756 14.386 -4.887 377 3HZ LYS 52 3HZ LYS 52 -2.979 13.642 -6.323 378 H ASN 53 H ASN 53 -6.473 11.679 -9.428 379 HA ASN 53 HA ASN 53 -9.224 11.788 -10.399 380 1HB ASN 53 1HB ASN 53 -8.127 12.071 -12.682 381 2HB ASN 53 2HB ASN 53 -7.496 13.142 -11.462 382 1HD2 ASN 53 1HD2 ASN 53 -4.421 12.044 -12.959 383 2HD2 ASN 53 2HD2 ASN 53 -5.723 13.315 -13.023 384 H ASN 54 H ASN 54 -7.957 9.045 -9.428 385 HA ASN 54 HA ASN 54 -9.284 7.036 -9.311 386 1HB ASN 54 1HB ASN 54 -10.876 8.686 -11.370 387 2HB ASN 54 2HB ASN 54 -11.274 7.005 -11.155 388 1HD2 ASN 54 1HD2 ASN 54 -13.240 7.756 -8.335 389 2HD2 ASN 54 2HD2 ASN 54 -12.791 6.595 -9.663 390 H ASP 55 H ASP 55 -6.886 7.261 -10.978 391 HA ASP 55 HA ASP 55 -7.219 4.694 -12.595 392 1HB ASP 55 1HB ASP 55 -4.617 4.941 -12.790 393 2HB ASP 55 2HB ASP 55 -5.627 6.076 -13.675 394 H GLY 56 H GLY 56 -8.101 3.479 -10.714 395 1HA GLY 56 1HA GLY 56 -7.363 3.849 -7.933 396 2HA GLY 56 2HA GLY 56 -8.111 2.381 -8.575 397 H ARG 57 H ARG 57 -6.060 1.410 -10.212 398 HA ARG 57 HA ARG 57 -4.348 -0.013 -8.371 399 1HB ARG 57 1HB ARG 57 -3.046 -0.578 -10.621 400 2HB ARG 57 2HB ARG 57 -4.674 -1.188 -10.329 401 1HG ARG 57 1HG ARG 57 -5.680 0.431 -11.847 402 2HG ARG 57 2HG ARG 57 -4.270 1.488 -11.812 403 1HD ARG 57 1HD ARG 57 -3.159 0.272 -13.485 404 2HD ARG 57 2HD ARG 57 -3.641 -1.279 -12.800 405 HE ARG 57 HE ARG 57 -5.240 0.193 -14.857 406 1HH1 ARG 57 2HH1 ARG 57 -5.572 -2.092 -12.271 407 2HH1 ARG 57 1HH1 ARG 57 -7.201 -2.655 -12.917 408 1HH2 ARG 57 1HH2 ARG 57 -6.945 -0.527 -15.586 409 2HH2 ARG 57 2HH2 ARG 57 -7.903 -1.854 -14.763 410 H ILE 58 H ILE 58 -2.253 0.087 -7.712 411 HA ILE 58 HA ILE 58 -1.344 2.978 -7.500 412 HB ILE 58 HB ILE 58 -1.148 0.626 -5.557 413 1HG1 ILE 58 1HG1 ILE 58 -2.610 3.346 -5.367 414 2HG1 ILE 58 2HG1 ILE 58 -3.361 1.791 -5.586 415 1HG2 ILE 58 1HG2 ILE 58 1.003 1.947 -5.344 416 2HG2 ILE 58 2HG2 ILE 58 0.081 3.447 -5.121 417 3HG2 ILE 58 3HG2 ILE 58 0.009 2.150 -3.906 418 1HD1 ILE 58 1HD1 ILE 58 -2.558 0.994 -3.316 419 2HD1 ILE 58 2HD1 ILE 58 -1.898 2.622 -3.009 420 3HD1 ILE 58 3HD1 ILE 58 -3.646 2.404 -3.248 421 H ASP 59 H ASP 59 0.771 3.636 -7.748 422 HA ASP 59 HA ASP 59 2.929 1.546 -8.316 423 1HB ASP 59 1HB ASP 59 4.076 3.371 -9.590 424 2HB ASP 59 2HB ASP 59 2.455 3.057 -10.193 425 H PHE 60 H PHE 60 5.210 3.237 -7.908 426 HA PHE 60 HA PHE 60 5.705 2.075 -5.188 427 1HB PHE 60 1HB PHE 60 7.322 2.158 -7.249 428 2HB PHE 60 2HB PHE 60 7.614 3.818 -6.847 429 HD1 PHE 60 HD1 PHE 60 7.486 3.221 -3.645 430 HD2 PHE 60 HD2 PHE 60 9.697 1.582 -6.944 431 HE1 PHE 60 HE1 PHE 60 9.296 2.543 -2.108 432 HE2 PHE 60 HE2 PHE 60 11.493 0.913 -5.410 433 HZ PHE 60 HZ PHE 60 11.321 1.422 -2.996 434 H ASP 61 H ASP 61 5.646 5.386 -6.507 435 HA ASP 61 HA ASP 61 6.081 7.040 -4.164 436 1HB ASP 61 1HB ASP 61 3.895 7.684 -6.300 437 2HB ASP 61 2HB ASP 61 5.138 8.677 -5.576 438 H GLU 62 H GLU 62 2.884 6.346 -5.445 439 HA GLU 62 HA GLU 62 1.070 6.973 -3.355 440 1HB GLU 62 1HB GLU 62 1.036 4.727 -5.385 441 2HB GLU 62 2HB GLU 62 -0.215 4.798 -4.181 442 1HG GLU 62 1HG GLU 62 -0.819 5.877 -6.440 443 2HG GLU 62 2HG GLU 62 -1.099 6.923 -5.058 444 H PHE 63 H PHE 63 3.120 4.091 -3.423 445 HA PHE 63 HA PHE 63 2.016 2.693 -1.015 446 1HB PHE 63 1HB PHE 63 3.497 1.669 -2.843 447 2HB PHE 63 2HB PHE 63 4.849 2.546 -2.211 448 HD1 PHE 63 HD1 PHE 63 2.554 1.209 0.391 449 HD2 PHE 63 HD2 PHE 63 5.913 0.212 -2.108 450 HE1 PHE 63 HE1 PHE 63 3.277 -0.500 2.015 451 HE2 PHE 63 HE2 PHE 63 6.599 -1.494 -0.496 452 HZ PHE 63 HZ PHE 63 5.380 -1.749 1.643 453 H LEU 64 H LEU 64 4.985 4.662 -1.389 454 HA LEU 64 HA LEU 64 5.797 4.758 1.346 455 1HB LEU 64 1HB LEU 64 6.205 6.801 -0.892 456 2HB LEU 64 2HB LEU 64 6.932 7.029 0.682 457 HG LEU 64 HG LEU 64 7.446 4.483 -0.960 458 1HD1 LEU 64 1HD1 LEU 64 8.973 7.173 -1.094 459 2HD1 LEU 64 2HD1 LEU 64 9.572 5.627 -1.754 460 3HD1 LEU 64 3HD1 LEU 64 8.092 6.339 -2.403 461 1HD2 LEU 64 1HD2 LEU 64 9.036 5.849 1.335 462 2HD2 LEU 64 2HD2 LEU 64 8.181 4.281 1.408 463 3HD2 LEU 64 3HD2 LEU 64 9.613 4.457 0.385 464 H LYS 65 H LYS 65 3.538 7.056 -0.194 465 HA LYS 65 HA LYS 65 2.899 8.481 2.361 466 1HB LYS 65 1HB LYS 65 2.342 9.973 0.805 467 2HB LYS 65 2HB LYS 65 2.724 8.831 -0.469 468 1HG LYS 65 1HG LYS 65 0.536 9.109 -1.150 469 2HG LYS 65 2HG LYS 65 0.041 8.178 0.275 470 1HD LYS 65 1HD LYS 65 -1.107 10.376 0.234 471 2HD LYS 65 2HD LYS 65 -0.124 10.210 1.692 472 1HE LYS 65 1HE LYS 65 -0.058 12.537 0.627 473 2HE LYS 65 2HE LYS 65 1.548 11.799 0.769 474 1HZ LYS 65 1HZ LYS 65 0.823 10.856 -1.711 475 2HZ LYS 65 2HZ LYS 65 0.040 12.306 -1.758 476 3HZ LYS 65 3HZ LYS 65 1.649 12.221 -1.515 477 H MET 66 H MET 66 1.012 6.147 0.335 478 HA MET 66 HA MET 66 -1.105 5.508 2.069 479 1HB MET 66 1HB MET 66 -0.924 4.551 -0.173 480 2HB MET 66 2HB MET 66 0.530 3.668 0.239 481 1HG MET 66 1HG MET 66 -1.915 2.952 1.889 482 2HG MET 66 2HG MET 66 -1.901 2.437 0.191 483 1HE MET 66 1HE MET 66 0.009 1.037 -0.948 484 2HE MET 66 2HE MET 66 0.308 -0.470 -0.033 485 3HE MET 66 3HE MET 66 -1.363 0.138 -0.229 486 H MET 67 H MET 67 2.230 4.420 2.581 487 HA MET 67 HA MET 67 1.508 2.903 5.087 488 1HB MET 67 1HB MET 67 3.327 1.942 3.827 489 2HB MET 67 2HB MET 67 4.110 3.491 3.587 490 1HG MET 67 1HG MET 67 5.183 3.504 5.662 491 2HG MET 67 2HG MET 67 3.895 2.602 6.485 492 1HE MET 67 1HE MET 67 6.147 2.505 3.449 493 2HE MET 67 2HE MET 67 7.489 2.103 4.564 494 3HE MET 67 3HE MET 67 6.894 0.876 3.405 495 H GLU 68 H GLU 68 3.429 5.842 4.358 496 HA GLU 68 HA GLU 68 3.828 6.558 7.157 497 1HB GLU 68 1HB GLU 68 5.274 7.087 5.089 498 2HB GLU 68 2HB GLU 68 4.241 8.454 4.802 499 1HG GLU 68 1HG GLU 68 6.511 8.827 6.115 500 2HG GLU 68 2HG GLU 68 5.091 9.681 6.690 501 H GLY 69 H GLY 69 1.139 7.363 5.097 502 1HA GLY 69 1HA GLY 69 -0.592 9.075 5.160 503 2HA GLY 69 2HA GLY 69 -0.477 8.812 6.904 504 H VAL 70 H VAL 70 -1.316 11.149 6.480 505 HA VAL 70 HA VAL 70 0.689 13.293 6.206 506 HB VAL 70 HB VAL 70 -2.171 13.270 7.275 507 1HG1 VAL 70 1HG1 VAL 70 -0.320 15.756 7.100 508 2HG1 VAL 70 2HG1 VAL 70 -2.083 15.811 7.356 509 3HG1 VAL 70 3HG1 VAL 70 -1.042 15.083 8.582 510 1HG2 VAL 70 1HG2 VAL 70 -1.888 13.149 4.765 511 2HG2 VAL 70 2HG2 VAL 70 -2.656 14.656 5.242 512 3HG2 VAL 70 3HG2 VAL 70 -0.929 14.645 4.775 513 H GLN 71 H GLN 71 1.755 14.485 7.743 514 HA GLN 71 HA GLN 71 2.284 13.434 10.505 515 1HB GLN 71 1HB GLN 71 3.540 15.696 10.707 516 2HB GLN 71 2HB GLN 71 4.160 14.473 9.600 517 1HG GLN 71 1HG GLN 71 3.349 15.689 7.642 518 2HG GLN 71 2HG GLN 71 2.268 16.709 8.574 519 1HE2 GLN 71 1HE2 GLN 71 4.967 18.958 9.472 520 2HE2 GLN 71 2HE2 GLN 71 3.371 18.246 10.074 521 1HN NH2 72 1HN NH2 72 1.317 14.045 12.462 522 2HN NH2 72 2HN NH2 72 0.011 15.251 12.606 No H/Q in entry = 522 Start of MODEL 18 1 1H ACE 1 1HH3 ACE 1 21.156 3.963 -6.251 2 2H ACE 1 2HH3 ACE 1 19.720 4.854 -6.869 3 3H ACE 1 3HH3 ACE 1 21.369 5.335 -7.361 4 H LYS 2 H LYS 2 19.760 4.723 -4.198 5 HA LYS 2 HA LYS 2 21.008 7.139 -2.994 6 1HB LYS 2 1HB LYS 2 18.765 7.773 -4.387 7 2HB LYS 2 2HB LYS 2 17.963 7.335 -2.894 8 1HG LYS 2 1HG LYS 2 18.344 9.758 -2.771 9 2HG LYS 2 2HG LYS 2 19.542 9.072 -1.703 10 1HD LYS 2 1HD LYS 2 20.893 9.149 -4.223 11 2HD LYS 2 2HD LYS 2 19.918 10.620 -4.243 12 1HE LYS 2 1HE LYS 2 22.227 10.931 -3.207 13 2HE LYS 2 2HE LYS 2 20.910 11.469 -2.147 14 1HZ LYS 2 1HZ LYS 2 21.838 8.610 -1.962 15 2HZ LYS 2 2HZ LYS 2 22.802 9.645 -1.292 16 3HZ LYS 2 3HZ LYS 2 21.245 9.478 -0.732 17 H SER 3 H SER 3 20.451 7.300 -0.639 18 HA SER 3 HA SER 3 20.191 4.997 0.953 19 1HB SER 3 1HB SER 3 19.810 7.912 1.305 20 2HB SER 3 2HB SER 3 18.883 7.009 2.478 21 HG SER 3 HG SER 3 21.666 7.124 2.044 22 H GLU 4 H GLU 4 18.735 3.380 0.916 23 HA GLU 4 HA GLU 4 15.838 3.710 0.813 24 1HB GLU 4 1HB GLU 4 16.865 2.868 -1.915 25 2HB GLU 4 2HB GLU 4 15.217 2.943 -1.339 26 1HG GLU 4 1HG GLU 4 16.180 5.645 -1.048 27 2HG GLU 4 2HG GLU 4 16.873 5.091 -2.567 28 H GLU 5 H GLU 5 18.566 1.599 0.314 29 HA GLU 5 HA GLU 5 17.962 -0.842 -0.278 30 1HB GLU 5 1HB GLU 5 20.074 -0.660 0.589 31 2HB GLU 5 2HB GLU 5 19.567 -0.014 2.120 32 1HG GLU 5 1HG GLU 5 19.033 -2.242 3.017 33 2HG GLU 5 2HG GLU 5 19.054 -2.988 1.429 34 H GLU 6 H GLU 6 17.081 -0.210 3.132 35 HA GLU 6 HA GLU 6 15.593 -2.787 3.197 36 1HB GLU 6 1HB GLU 6 15.463 -1.481 5.757 37 2HB GLU 6 2HB GLU 6 16.296 -2.932 5.289 38 1HG GLU 6 1HG GLU 6 18.202 -1.189 4.396 39 2HG GLU 6 2HG GLU 6 17.416 -0.083 5.509 40 H LEU 7 H LEU 7 14.495 0.567 3.137 41 HA LEU 7 HA LEU 7 11.627 -0.215 3.349 42 1HB LEU 7 1HB LEU 7 13.052 2.301 2.350 43 2HB LEU 7 2HB LEU 7 11.317 2.140 2.235 44 HG LEU 7 HG LEU 7 12.395 1.610 4.992 45 1HD1 LEU 7 1HD1 LEU 7 13.960 3.407 4.278 46 2HD1 LEU 7 2HD1 LEU 7 12.604 4.439 3.756 47 3HD1 LEU 7 3HD1 LEU 7 12.817 4.029 5.478 48 1HD2 LEU 7 1HD2 LEU 7 10.111 3.418 3.903 49 2HD2 LEU 7 2HD2 LEU 7 9.935 1.802 4.641 50 3HD2 LEU 7 3HD2 LEU 7 10.482 3.159 5.629 51 H ALA 8 H ALA 8 13.800 0.192 0.505 52 HA ALA 8 HA ALA 8 11.979 -0.810 -1.487 53 1HB ALA 8 1HB ALA 8 15.042 -1.168 -1.223 54 2HB ALA 8 2HB ALA 8 14.106 -1.431 -2.708 55 3HB ALA 8 3HB ALA 8 14.185 0.185 -1.997 56 H ASN 9 H ASN 9 14.118 -2.779 0.601 57 HA ASN 9 HA ASN 9 13.059 -5.457 -0.154 58 1HB ASN 9 1HB ASN 9 14.631 -4.366 2.267 59 2HB ASN 9 2HB ASN 9 14.028 -6.000 2.272 60 1HD2 ASN 9 1HD2 ASN 9 17.530 -5.838 0.850 61 2HD2 ASN 9 2HD2 ASN 9 16.763 -5.113 2.333 62 H ALA 10 H ALA 10 12.134 -3.127 2.382 63 HA ALA 10 HA ALA 10 9.877 -4.581 3.568 64 1HB ALA 10 1HB ALA 10 11.016 -2.587 4.562 65 2HB ALA 10 2HB ALA 10 10.351 -1.532 3.287 66 3HB ALA 10 3HB ALA 10 9.265 -2.324 4.449 67 H PHE 11 H PHE 11 9.866 -2.235 0.856 68 HA PHE 11 HA PHE 11 6.991 -2.325 0.342 69 1HB PHE 11 1HB PHE 11 8.521 -0.462 -0.314 70 2HB PHE 11 2HB PHE 11 9.309 -1.476 -1.475 71 HD1 PHE 11 HD1 PHE 11 5.892 -0.052 -0.740 72 HD2 PHE 11 HD2 PHE 11 8.565 -1.521 -3.776 73 HE1 PHE 11 HE1 PHE 11 4.343 0.718 -2.490 74 HE2 PHE 11 HE2 PHE 11 6.997 -0.748 -5.512 75 HZ PHE 11 HZ PHE 11 4.876 0.355 -4.868 76 H ARG 12 H ARG 12 9.616 -4.052 -1.387 77 HA ARG 12 HA ARG 12 7.865 -5.767 -2.969 78 1HB ARG 12 1HB ARG 12 10.777 -6.117 -2.069 79 2HB ARG 12 2HB ARG 12 9.977 -7.298 -3.100 80 1HG ARG 12 1HG ARG 12 11.418 -5.165 -4.063 81 2HG ARG 12 2HG ARG 12 10.122 -5.933 -4.989 82 1HD ARG 12 1HD ARG 12 8.601 -4.160 -4.655 83 2HD ARG 12 2HD ARG 12 9.287 -3.718 -3.067 84 HE ARG 12 HE ARG 12 11.395 -2.876 -4.417 85 1HH1 ARG 12 2HH1 ARG 12 8.245 -2.874 -5.862 86 2HH1 ARG 12 1HH1 ARG 12 8.676 -1.504 -6.995 87 1HH2 ARG 12 1HH2 ARG 12 11.853 -1.341 -5.682 88 2HH2 ARG 12 2HH2 ARG 12 10.644 -0.677 -6.875 89 H ILE 13 H ILE 13 9.042 -6.175 0.352 90 HA ILE 13 HA ILE 13 8.471 -9.102 0.586 91 HB ILE 13 HB ILE 13 9.233 -6.931 2.584 92 1HG1 ILE 13 1HG1 ILE 13 11.008 -8.228 1.121 93 2HG1 ILE 13 2HG1 ILE 13 11.317 -7.994 2.820 94 1HG2 ILE 13 1HG2 ILE 13 7.580 -8.371 3.839 95 2HG2 ILE 13 2HG2 ILE 13 8.469 -9.840 3.373 96 3HG2 ILE 13 3HG2 ILE 13 9.197 -8.645 4.464 97 1HD1 ILE 13 1HD1 ILE 13 10.562 -10.327 3.383 98 2HD1 ILE 13 2HD1 ILE 13 10.292 -10.651 1.652 99 3HD1 ILE 13 3HD1 ILE 13 11.926 -10.296 2.243 100 H PHE 14 H PHE 14 6.691 -6.124 1.210 101 HA PHE 14 HA PHE 14 4.259 -7.297 2.432 102 1HB PHE 14 1HB PHE 14 4.857 -4.683 0.929 103 2HB PHE 14 2HB PHE 14 3.213 -5.106 1.279 104 HD1 PHE 14 HD1 PHE 14 4.035 -6.505 4.082 105 HD2 PHE 14 HD2 PHE 14 4.703 -2.636 2.340 106 HE1 PHE 14 HE1 PHE 14 4.248 -5.524 6.332 107 HE2 PHE 14 HE2 PHE 14 4.938 -1.665 4.591 108 HZ PHE 14 HZ PHE 14 4.735 -3.105 6.589 109 H ASP 15 H ASP 15 5.129 -6.562 -0.947 110 HA ASP 15 HA ASP 15 2.517 -7.075 -2.077 111 1HB ASP 15 1HB ASP 15 4.227 -5.585 -3.084 112 2HB ASP 15 2HB ASP 15 5.288 -6.942 -3.429 113 H LYS 16 H LYS 16 1.415 -8.899 -2.328 114 HA LYS 16 HA LYS 16 2.892 -11.553 -2.136 115 1HB LYS 16 1HB LYS 16 0.325 -12.348 -1.681 116 2HB LYS 16 2HB LYS 16 1.433 -11.903 -0.413 117 1HG LYS 16 1HG LYS 16 -0.031 -10.260 0.280 118 2HG LYS 16 2HG LYS 16 0.083 -9.463 -1.284 119 1HD LYS 16 1HD LYS 16 -2.285 -9.982 -0.783 120 2HD LYS 16 2HD LYS 16 -1.723 -10.834 -2.219 121 1HE LYS 16 1HE LYS 16 -2.553 -12.759 -1.420 122 2HE LYS 16 2HE LYS 16 -1.251 -12.781 -0.213 123 1HZ LYS 16 1HZ LYS 16 -3.052 -10.944 0.901 124 2HZ LYS 16 2HZ LYS 16 -4.080 -12.020 0.183 125 3HZ LYS 16 3HZ LYS 16 -2.996 -12.542 1.279 126 H ASN 17 H ASN 17 2.028 -9.655 -4.546 127 HA ASN 17 HA ASN 17 1.428 -12.025 -6.372 128 1HB ASN 17 1HB ASN 17 -0.459 -11.104 -7.258 129 2HB ASN 17 2HB ASN 17 -0.557 -10.388 -5.672 130 1HD2 ASN 17 1HD2 ASN 17 0.579 -7.251 -7.636 131 2HD2 ASN 17 2HD2 ASN 17 1.508 -8.259 -6.479 132 H ALA 18 H ALA 18 2.983 -8.814 -6.158 133 HA ALA 18 HA ALA 18 5.216 -8.339 -6.960 134 1HB ALA 18 1HB ALA 18 5.608 -10.779 -6.446 135 2HB ALA 18 2HB ALA 18 5.031 -11.209 -8.071 136 3HB ALA 18 3HB ALA 18 6.517 -10.260 -7.892 137 H ASP 19 H ASP 19 2.904 -7.551 -8.547 138 HA ASP 19 HA ASP 19 4.159 -7.136 -11.272 139 1HB ASP 19 1HB ASP 19 1.858 -5.521 -10.012 140 2HB ASP 19 2HB ASP 19 2.266 -5.650 -11.717 141 H GLY 20 H GLY 20 4.334 -5.706 -8.106 142 1HA GLY 20 1HA GLY 20 6.663 -4.192 -7.953 143 2HA GLY 20 2HA GLY 20 5.752 -3.230 -9.128 144 H TYR 21 H TYR 21 3.312 -4.292 -7.183 145 HA TYR 21 HA TYR 21 3.212 -1.393 -6.136 146 1HB TYR 21 1HB TYR 21 0.846 -3.108 -7.137 147 2HB TYR 21 2HB TYR 21 0.724 -1.505 -6.474 148 HD1 TYR 21 HD1 TYR 21 2.236 -3.389 -9.358 149 HD2 TYR 21 HD2 TYR 21 0.966 0.448 -7.887 150 HE1 TYR 21 HE1 TYR 21 2.478 -2.434 -11.615 151 HE2 TYR 21 HE2 TYR 21 1.213 1.378 -10.164 152 HH TYR 21 HH TYR 21 2.620 0.812 -12.202 153 H ILE 22 H ILE 22 1.821 -1.020 -4.263 154 HA ILE 22 HA ILE 22 1.123 -3.465 -2.542 155 HB ILE 22 HB ILE 22 0.952 -0.540 -1.649 156 1HG1 ILE 22 1HG1 ILE 22 3.417 -1.817 -2.101 157 2HG1 ILE 22 2HG1 ILE 22 3.148 -0.441 -1.066 158 1HG2 ILE 22 1HG2 ILE 22 -0.487 -2.132 -0.299 159 2HG2 ILE 22 2HG2 ILE 22 0.923 -3.159 0.029 160 3HG2 ILE 22 3HG2 ILE 22 0.821 -1.507 0.691 161 1HD1 ILE 22 1HD1 ILE 22 2.777 -1.959 0.947 162 2HD1 ILE 22 2HD1 ILE 22 3.251 -3.345 -0.068 163 3HD1 ILE 22 3HD1 ILE 22 4.411 -2.037 0.242 164 H ASP 23 H ASP 23 -0.956 -4.040 -2.195 165 HA ASP 23 HA ASP 23 -3.018 -2.705 -4.029 166 1HB ASP 23 1HB ASP 23 -3.867 -5.028 -4.537 167 2HB ASP 23 2HB ASP 23 -2.209 -4.768 -5.061 168 H ILE 24 H ILE 24 -5.302 -3.721 -3.503 169 HA ILE 24 HA ILE 24 -6.068 -2.678 -0.785 170 HB ILE 24 HB ILE 24 -7.421 -2.473 -3.046 171 1HG1 ILE 24 1HG1 ILE 24 -9.635 -2.266 -1.800 172 2HG1 ILE 24 2HG1 ILE 24 -8.928 -3.044 -0.410 173 1HG2 ILE 24 1HG2 ILE 24 -7.732 -4.950 -3.501 174 2HG2 ILE 24 2HG2 ILE 24 -8.625 -5.130 -1.978 175 3HG2 ILE 24 3HG2 ILE 24 -9.289 -4.162 -3.318 176 1HD1 ILE 24 1HD1 ILE 24 -7.211 -1.178 -0.174 177 2HD1 ILE 24 2HD1 ILE 24 -8.067 -0.287 -1.456 178 3HD1 ILE 24 3HD1 ILE 24 -8.903 -0.668 0.064 179 H GLU 25 H GLU 25 -5.553 -5.809 -2.259 180 HA GLU 25 HA GLU 25 -6.825 -7.392 -0.050 181 1HB GLU 25 1HB GLU 25 -6.147 -7.906 -2.743 182 2HB GLU 25 2HB GLU 25 -5.094 -8.958 -1.847 183 1HG GLU 25 1HG GLU 25 -7.445 -9.887 -2.617 184 2HG GLU 25 2HG GLU 25 -6.911 -10.294 -0.997 185 H GLU 26 H GLU 26 -3.632 -6.198 -0.704 186 HA GLU 26 HA GLU 26 -2.174 -7.932 1.266 187 1HB GLU 26 1HB GLU 26 -0.243 -7.003 0.571 188 2HB GLU 26 2HB GLU 26 -1.202 -6.749 -0.856 189 1HG GLU 26 1HG GLU 26 0.137 -4.722 -0.456 190 2HG GLU 26 2HG GLU 26 -1.538 -4.287 -0.174 191 H LEU 27 H LEU 27 -3.389 -4.598 1.277 192 HA LEU 27 HA LEU 27 -2.416 -3.467 3.724 193 1HB LEU 27 1HB LEU 27 -3.767 -2.245 2.080 194 2HB LEU 27 2HB LEU 27 -5.178 -3.214 2.411 195 HG LEU 27 HG LEU 27 -5.043 -0.790 3.421 196 1HD1 LEU 27 1HD1 LEU 27 -6.861 -2.428 3.919 197 2HD1 LEU 27 2HD1 LEU 27 -5.894 -3.156 5.233 198 3HD1 LEU 27 3HD1 LEU 27 -6.459 -1.464 5.339 199 1HD2 LEU 27 1HD2 LEU 27 -3.411 -2.295 5.600 200 2HD2 LEU 27 2HD2 LEU 27 -2.805 -0.975 4.555 201 3HD2 LEU 27 3HD2 LEU 27 -4.084 -0.646 5.729 202 H GLY 28 H GLY 28 -5.455 -5.344 3.495 203 1HA GLY 28 1HA GLY 28 -5.934 -5.244 6.406 204 2HA GLY 28 2HA GLY 28 -6.925 -6.131 5.242 205 H GLU 29 H GLU 29 -4.895 -7.917 4.298 206 HA GLU 29 HA GLU 29 -4.796 -10.033 6.386 207 1HB GLU 29 1HB GLU 29 -4.910 -10.288 3.806 208 2HB GLU 29 2HB GLU 29 -3.189 -10.045 3.794 209 1HG GLU 29 1HG GLU 29 -4.053 -12.517 3.762 210 2HG GLU 29 2HG GLU 29 -2.740 -12.173 4.874 211 H ILE 30 H ILE 30 -2.400 -7.704 5.199 212 HA ILE 30 HA ILE 30 -0.083 -8.742 6.811 213 HB ILE 30 HB ILE 30 -0.529 -6.134 5.282 214 1HG1 ILE 30 1HG1 ILE 30 0.236 -8.484 4.160 215 2HG1 ILE 30 2HG1 ILE 30 0.823 -6.943 3.594 216 1HG2 ILE 30 1HG2 ILE 30 0.855 -5.551 7.307 217 2HG2 ILE 30 2HG2 ILE 30 2.002 -6.860 6.924 218 3HG2 ILE 30 3HG2 ILE 30 1.831 -5.447 5.845 219 1HD1 ILE 30 1HD1 ILE 30 2.481 -8.730 5.497 220 2HD1 ILE 30 2HD1 ILE 30 2.704 -8.513 3.749 221 3HD1 ILE 30 3HD1 ILE 30 2.960 -7.141 4.845 222 H LEU 31 H LEU 31 -2.140 -5.824 7.103 223 HA LEU 31 HA LEU 31 -1.211 -4.928 9.773 224 1HB LEU 31 1HB LEU 31 -3.051 -3.445 9.823 225 2HB LEU 31 2HB LEU 31 -2.526 -3.493 8.158 226 HG LEU 31 HG LEU 31 -4.473 -5.294 7.826 227 1HD1 LEU 31 1HD1 LEU 31 -5.373 -3.876 10.424 228 2HD1 LEU 31 2HD1 LEU 31 -6.420 -4.867 9.372 229 3HD1 LEU 31 3HD1 LEU 31 -5.044 -5.616 10.189 230 1HD2 LEU 31 1HD2 LEU 31 -5.048 -2.272 8.239 231 2HD2 LEU 31 2HD2 LEU 31 -4.574 -3.072 6.715 232 3HD2 LEU 31 3HD2 LEU 31 -6.151 -3.418 7.432 233 H ARG 32 H ARG 32 -3.704 -7.326 8.855 234 HA ARG 32 HA ARG 32 -4.155 -8.196 11.653 235 1HB ARG 32 1HB ARG 32 -5.690 -8.377 9.654 236 2HB ARG 32 2HB ARG 32 -4.640 -9.605 8.948 237 1HG ARG 32 1HG ARG 32 -5.247 -11.228 10.660 238 2HG ARG 32 2HG ARG 32 -5.795 -9.963 11.776 239 1HD ARG 32 1HD ARG 32 -7.197 -10.620 9.083 240 2HD ARG 32 2HD ARG 32 -7.717 -11.269 10.655 241 HE ARG 32 HE ARG 32 -7.914 -8.357 9.792 242 1HH1 ARG 32 2HH1 ARG 32 -8.344 -10.621 12.392 243 2HH1 ARG 32 1HH1 ARG 32 -9.403 -9.461 13.326 244 1HH2 ARG 32 1HH2 ARG 32 -9.103 -7.075 10.876 245 2HH2 ARG 32 2HH2 ARG 32 -9.807 -7.561 12.487 246 H ALA 33 H ALA 33 -2.801 -10.340 9.163 247 HA ALA 33 HA ALA 33 -1.746 -12.100 11.253 248 1HB ALA 33 1HB ALA 33 -2.888 -12.890 9.187 249 2HB ALA 33 2HB ALA 33 -1.549 -12.285 8.173 250 3HB ALA 33 3HB ALA 33 -1.278 -13.618 9.317 251 H THR 34 H THR 34 0.441 -13.367 10.108 252 HA THR 34 HA THR 34 2.699 -11.418 9.616 253 HB THR 34 HB THR 34 4.171 -12.375 11.396 254 HG1 THR 34 HG1 THR 34 2.893 -13.303 13.197 255 1HG2 THR 34 2HG2 THR 34 2.764 -10.251 11.799 256 2HG2 THR 34 3HG2 THR 34 1.529 -11.270 12.584 257 3HG2 THR 34 1HG2 THR 34 3.145 -11.135 13.300 258 H GLY 35 H GLY 35 4.527 -12.400 8.688 259 1HA GLY 35 1HA GLY 35 5.065 -15.246 8.554 260 2HA GLY 35 2HA GLY 35 4.342 -14.833 6.995 261 1HN NH2 36 1HN NH2 36 5.440 -13.066 5.643 262 2HN NH2 36 2HN NH2 36 7.216 -12.935 5.746 263 1H ACE 37 1HH3 ACE 37 -15.950 -10.248 12.495 264 2H ACE 37 2HH3 ACE 37 -17.157 -9.074 11.867 265 3H ACE 37 3HH3 ACE 37 -17.012 -10.691 11.131 266 H VAL 38 H VAL 38 -14.824 -7.913 11.854 267 HA VAL 38 HA VAL 38 -13.583 -6.488 10.330 268 HB VAL 38 HB VAL 38 -12.726 -8.825 8.674 269 1HG1 VAL 38 1HG1 VAL 38 -11.190 -6.732 10.381 270 2HG1 VAL 38 2HG1 VAL 38 -10.404 -7.974 9.378 271 3HG1 VAL 38 3HG1 VAL 38 -11.390 -6.720 8.619 272 1HG2 VAL 38 1HG2 VAL 38 -13.102 -10.042 10.864 273 2HG2 VAL 38 2HG2 VAL 38 -11.365 -9.886 10.522 274 3HG2 VAL 38 3HG2 VAL 38 -12.139 -8.816 11.717 275 H THR 39 H THR 39 -15.245 -5.346 9.303 276 HA THR 39 HA THR 39 -16.921 -6.644 7.104 277 HB THR 39 HB THR 39 -18.590 -5.465 8.034 278 HG1 THR 39 HG1 THR 39 -17.471 -3.778 6.469 279 1HG2 THR 39 2HG2 THR 39 -16.481 -3.800 9.583 280 2HG2 THR 39 3HG2 THR 39 -18.233 -3.790 9.896 281 3HG2 THR 39 1HG2 THR 39 -17.291 -5.269 10.176 282 H GLU 40 H GLU 40 -17.138 -5.566 5.067 283 HA GLU 40 HA GLU 40 -14.486 -4.843 3.946 284 1HB GLU 40 1HB GLU 40 -16.145 -6.440 2.916 285 2HB GLU 40 2HB GLU 40 -17.141 -5.094 2.451 286 1HG GLU 40 1HG GLU 40 -14.695 -4.351 1.260 287 2HG GLU 40 2HG GLU 40 -14.582 -6.100 1.185 288 H GLU 41 H GLU 41 -17.559 -3.009 4.065 289 HA GLU 41 HA GLU 41 -16.524 -0.558 2.970 290 1HB GLU 41 1HB GLU 41 -18.539 0.551 3.846 291 2HB GLU 41 2HB GLU 41 -18.861 -0.904 2.953 292 1HG GLU 41 1HG GLU 41 -19.380 -2.151 5.098 293 2HG GLU 41 2HG GLU 41 -18.943 -0.748 6.055 294 H ASP 42 H ASP 42 -16.167 -1.718 6.218 295 HA ASP 42 HA ASP 42 -15.040 0.651 7.577 296 1HB ASP 42 1HB ASP 42 -14.819 -2.373 7.881 297 2HB ASP 42 2HB ASP 42 -13.628 -1.379 8.707 298 H ILE 43 H ILE 43 -13.376 -1.884 5.657 299 HA ILE 43 HA ILE 43 -10.702 -0.539 5.842 300 HB ILE 43 HB ILE 43 -11.696 -3.000 4.352 301 1HG1 ILE 43 1HG1 ILE 43 -9.221 -2.896 6.166 302 2HG1 ILE 43 2HG1 ILE 43 -10.804 -2.919 6.894 303 1HG2 ILE 43 1HG2 ILE 43 -10.120 -1.901 2.715 304 2HG2 ILE 43 2HG2 ILE 43 -8.875 -1.753 3.971 305 3HG2 ILE 43 3HG2 ILE 43 -9.376 -3.352 3.369 306 1HD1 ILE 43 1HD1 ILE 43 -11.402 -5.076 5.713 307 2HD1 ILE 43 2HD1 ILE 43 -9.740 -5.163 5.073 308 3HD1 ILE 43 3HD1 ILE 43 -10.023 -5.216 6.826 309 H GLU 44 H GLU 44 -13.329 -0.599 3.470 310 HA GLU 44 HA GLU 44 -11.660 0.529 1.245 311 1HB GLU 44 1HB GLU 44 -13.084 -0.575 -0.006 312 2HB GLU 44 2HB GLU 44 -14.031 -1.019 1.381 313 1HG GLU 44 1HG GLU 44 -15.802 0.096 0.421 314 2HG GLU 44 2HG GLU 44 -14.997 1.616 0.767 315 H ASP 45 H ASP 45 -14.073 1.795 3.469 316 HA ASP 45 HA ASP 45 -13.993 4.626 2.452 317 1HB ASP 45 1HB ASP 45 -15.080 3.374 5.051 318 2HB ASP 45 2HB ASP 45 -15.192 5.091 4.686 319 H LEU 46 H LEU 46 -12.199 2.706 4.807 320 HA LEU 46 HA LEU 46 -10.414 4.901 5.750 321 1HB LEU 46 1HB LEU 46 -10.845 2.752 6.954 322 2HB LEU 46 2HB LEU 46 -9.990 1.853 5.724 323 HG LEU 46 HG LEU 46 -7.835 3.110 6.326 324 1HD1 LEU 46 1HD1 LEU 46 -9.089 5.104 7.345 325 2HD1 LEU 46 2HD1 LEU 46 -9.393 4.112 8.778 326 3HD1 LEU 46 3HD1 LEU 46 -7.712 4.510 8.317 327 1HD2 LEU 46 1HD2 LEU 46 -8.516 0.800 7.388 328 2HD2 LEU 46 2HD2 LEU 46 -7.319 1.781 8.286 329 3HD2 LEU 46 3HD2 LEU 46 -9.000 1.752 8.822 330 H MET 47 H MET 47 -9.579 2.293 3.401 331 HA MET 47 HA MET 47 -7.339 3.659 2.200 332 1HB MET 47 1HB MET 47 -8.490 1.197 1.846 333 2HB MET 47 2HB MET 47 -9.065 1.973 0.380 334 1HG MET 47 1HG MET 47 -6.110 2.375 0.886 335 2HG MET 47 2HG MET 47 -6.623 0.714 0.538 336 1HE MET 47 1HE MET 47 -4.685 2.598 -1.118 337 2HE MET 47 2HE MET 47 -5.028 0.919 -1.626 338 3HE MET 47 3HE MET 47 -5.169 2.248 -2.813 339 H LYS 48 H LYS 48 -10.746 4.380 1.768 340 HA LYS 48 HA LYS 48 -10.235 6.408 -0.383 341 1HB LYS 48 1HB LYS 48 -12.327 5.317 -0.415 342 2HB LYS 48 2HB LYS 48 -12.648 5.505 1.282 343 1HG LYS 48 1HG LYS 48 -12.459 8.056 -0.452 344 2HG LYS 48 2HG LYS 48 -13.814 7.007 -0.723 345 1HD LYS 48 1HD LYS 48 -14.212 7.078 1.896 346 2HD LYS 48 2HD LYS 48 -13.206 8.488 1.922 347 1HE LYS 48 1HE LYS 48 -14.822 9.677 0.325 348 2HE LYS 48 2HE LYS 48 -15.744 8.195 0.142 349 1HZ LYS 48 1HZ LYS 48 -15.753 8.403 2.864 350 2HZ LYS 48 2HZ LYS 48 -15.697 9.957 2.563 351 3HZ LYS 48 3HZ LYS 48 -16.950 9.054 1.967 352 H ASP 49 H ASP 49 -10.142 6.378 3.094 353 HA ASP 49 HA ASP 49 -10.191 9.371 3.500 354 1HB ASP 49 1HB ASP 49 -10.939 7.999 5.371 355 2HB ASP 49 2HB ASP 49 -9.473 7.030 5.365 356 H SER 50 H SER 50 -7.607 6.886 3.456 357 HA SER 50 HA SER 50 -5.374 8.864 3.832 358 1HB SER 50 1HB SER 50 -5.048 5.965 2.857 359 2HB SER 50 2HB SER 50 -3.890 6.947 3.748 360 HG SER 50 HG SER 50 -4.806 5.596 5.197 361 H ASP 51 H ASP 51 -6.675 6.959 1.105 362 HA ASP 51 HA ASP 51 -4.751 7.814 -0.890 363 1HB ASP 51 1HB ASP 51 -6.321 5.757 -0.893 364 2HB ASP 51 2HB ASP 51 -7.611 6.809 -1.460 365 H LYS 52 H LYS 52 -4.768 9.258 -2.567 366 HA LYS 52 HA LYS 52 -6.686 11.623 -2.584 367 1HB LYS 52 1HB LYS 52 -4.130 10.890 -4.062 368 2HB LYS 52 2HB LYS 52 -5.153 12.101 -4.770 369 1HG LYS 52 1HG LYS 52 -3.191 12.977 -3.297 370 2HG LYS 52 2HG LYS 52 -4.746 13.664 -2.949 371 1HD LYS 52 1HD LYS 52 -5.090 12.472 -0.926 372 2HD LYS 52 2HD LYS 52 -3.925 11.232 -1.253 373 1HE LYS 52 1HE LYS 52 -2.096 12.567 -0.452 374 2HE LYS 52 2HE LYS 52 -2.788 14.064 -1.074 375 1HZ LYS 52 1HZ LYS 52 -4.670 13.409 0.876 376 2HZ LYS 52 2HZ LYS 52 -3.272 12.893 1.599 377 3HZ LYS 52 3HZ LYS 52 -3.476 14.429 1.087 378 H ASN 53 H ASN 53 -5.696 10.447 -5.668 379 HA ASN 53 HA ASN 53 -8.408 10.976 -6.538 380 1HB ASN 53 1HB ASN 53 -7.484 10.481 -8.875 381 2HB ASN 53 2HB ASN 53 -6.543 11.622 -7.953 382 1HD2 ASN 53 1HD2 ASN 53 -4.683 8.431 -9.409 383 2HD2 ASN 53 2HD2 ASN 53 -6.377 8.914 -9.866 384 H ASN 54 H ASN 54 -7.062 7.954 -5.648 385 HA ASN 54 HA ASN 54 -7.858 5.687 -5.699 386 1HB ASN 54 1HB ASN 54 -10.445 7.339 -6.017 387 2HB ASN 54 2HB ASN 54 -10.509 5.599 -6.007 388 1HD2 ASN 54 1HD2 ASN 54 -10.250 5.458 -2.481 389 2HD2 ASN 54 2HD2 ASN 54 -10.503 4.571 -4.050 390 H ASP 55 H ASP 55 -6.529 5.651 -7.745 391 HA ASP 55 HA ASP 55 -8.200 4.429 -9.999 392 1HB ASP 55 1HB ASP 55 -5.442 5.578 -9.843 393 2HB ASP 55 2HB ASP 55 -5.488 4.037 -10.688 394 H GLY 56 H GLY 56 -7.398 3.509 -7.024 395 1HA GLY 56 1HA GLY 56 -8.237 1.327 -6.261 396 2HA GLY 56 2HA GLY 56 -7.831 0.640 -7.839 397 H ARG 57 H ARG 57 -5.057 2.141 -7.004 398 HA ARG 57 HA ARG 57 -3.771 -0.158 -5.491 399 1HB ARG 57 1HB ARG 57 -3.560 0.253 -8.522 400 2HB ARG 57 2HB ARG 57 -2.303 -0.599 -7.627 401 1HG ARG 57 1HG ARG 57 -4.272 -2.116 -6.680 402 2HG ARG 57 2HG ARG 57 -5.280 -1.386 -7.928 403 1HD ARG 57 1HD ARG 57 -2.577 -2.665 -8.696 404 2HD ARG 57 2HD ARG 57 -3.989 -3.678 -8.400 405 HE ARG 57 HE ARG 57 -4.374 -1.320 -10.321 406 1HH1 ARG 57 2HH1 ARG 57 -4.296 -4.760 -9.933 407 2HH1 ARG 57 1HH1 ARG 57 -5.327 -5.004 -11.438 408 1HH2 ARG 57 1HH2 ARG 57 -5.326 -1.632 -12.040 409 2HH2 ARG 57 2HH2 ARG 57 -5.775 -3.301 -12.645 410 H ILE 58 H ILE 58 -1.778 0.199 -4.724 411 HA ILE 58 HA ILE 58 -0.908 3.112 -4.711 412 HB ILE 58 HB ILE 58 -0.689 0.913 -2.598 413 1HG1 ILE 58 1HG1 ILE 58 -2.228 3.598 -2.610 414 2HG1 ILE 58 2HG1 ILE 58 -2.939 2.016 -2.761 415 1HG2 ILE 58 1HG2 ILE 58 1.415 2.316 -2.457 416 2HG2 ILE 58 2HG2 ILE 58 0.442 3.797 -2.360 417 3HG2 ILE 58 3HG2 ILE 58 0.393 2.593 -1.051 418 1HD1 ILE 58 1HD1 ILE 58 -2.172 1.361 -0.435 419 2HD1 ILE 58 2HD1 ILE 58 -1.556 3.018 -0.201 420 3HD1 ILE 58 3HD1 ILE 58 -3.292 2.746 -0.468 421 H ASP 59 H ASP 59 0.930 3.725 -5.550 422 HA ASP 59 HA ASP 59 3.203 1.763 -6.069 423 1HB ASP 59 1HB ASP 59 4.052 3.470 -7.665 424 2HB ASP 59 2HB ASP 59 2.372 3.074 -7.999 425 H PHE 60 H PHE 60 5.456 3.022 -6.002 426 HA PHE 60 HA PHE 60 6.080 2.632 -3.186 427 1HB PHE 60 1HB PHE 60 7.585 2.121 -5.188 428 2HB PHE 60 2HB PHE 60 7.921 3.811 -5.355 429 HD1 PHE 60 HD1 PHE 60 8.509 0.902 -3.059 430 HD2 PHE 60 HD2 PHE 60 9.532 4.971 -3.979 431 HE1 PHE 60 HE1 PHE 60 10.483 0.748 -1.585 432 HE2 PHE 60 HE2 PHE 60 11.515 4.798 -2.544 433 HZ PHE 60 HZ PHE 60 12.021 2.678 -1.374 434 H ASP 61 H ASP 61 5.808 5.654 -5.016 435 HA ASP 61 HA ASP 61 6.398 7.693 -3.040 436 1HB ASP 61 1HB ASP 61 3.834 7.827 -4.827 437 2HB ASP 61 2HB ASP 61 5.097 8.992 -4.511 438 H GLU 62 H GLU 62 3.137 6.526 -3.667 439 HA GLU 62 HA GLU 62 1.840 7.345 -1.169 440 1HB GLU 62 1HB GLU 62 0.978 4.975 -2.880 441 2HB GLU 62 2HB GLU 62 -0.009 5.870 -1.766 442 1HG GLU 62 1HG GLU 62 0.307 7.966 -3.316 443 2HG GLU 62 2HG GLU 62 1.097 6.909 -4.471 444 H PHE 63 H PHE 63 4.058 4.654 -1.559 445 HA PHE 63 HA PHE 63 3.409 3.274 1.035 446 1HB PHE 63 1HB PHE 63 4.846 2.350 -0.926 447 2HB PHE 63 2HB PHE 63 6.113 3.419 -0.422 448 HD1 PHE 63 HD1 PHE 63 3.949 1.329 1.932 449 HD2 PHE 63 HD2 PHE 63 7.803 1.836 0.085 450 HE1 PHE 63 HE1 PHE 63 4.949 -0.239 3.547 451 HE2 PHE 63 HE2 PHE 63 8.771 0.269 1.687 452 HZ PHE 63 HZ PHE 63 7.364 -0.756 3.440 453 H LEU 64 H LEU 64 5.969 5.593 0.098 454 HA LEU 64 HA LEU 64 7.062 6.081 2.745 455 1HB LEU 64 1HB LEU 64 7.043 7.854 0.248 456 2HB LEU 64 2HB LEU 64 7.908 8.307 1.696 457 HG LEU 64 HG LEU 64 8.467 5.746 0.079 458 1HD1 LEU 64 1HD1 LEU 64 9.919 8.480 0.093 459 2HD1 LEU 64 2HD1 LEU 64 10.556 6.991 -0.657 460 3HD1 LEU 64 3HD1 LEU 64 9.054 7.698 -1.259 461 1HD2 LEU 64 1HD2 LEU 64 10.030 7.022 2.442 462 2HD2 LEU 64 2HD2 LEU 64 9.219 5.429 2.428 463 3HD2 LEU 64 3HD2 LEU 64 10.640 5.702 1.412 464 H LYS 65 H LYS 65 4.270 7.657 1.224 465 HA LYS 65 HA LYS 65 3.682 9.343 3.648 466 1HB LYS 65 1HB LYS 65 2.059 8.659 1.130 467 2HB LYS 65 2HB LYS 65 1.733 10.012 2.195 468 1HG LYS 65 1HG LYS 65 4.321 10.652 1.408 469 2HG LYS 65 2HG LYS 65 3.852 9.624 0.040 470 1HD LYS 65 1HD LYS 65 1.749 11.580 0.927 471 2HD LYS 65 2HD LYS 65 3.188 12.354 0.256 472 1HE LYS 65 1HE LYS 65 2.796 10.862 -1.875 473 2HE LYS 65 2HE LYS 65 1.299 10.302 -1.108 474 1HZ LYS 65 1HZ LYS 65 0.676 12.845 -0.891 475 2HZ LYS 65 2HZ LYS 65 1.945 13.171 -1.861 476 3HZ LYS 65 3HZ LYS 65 0.724 12.304 -2.449 477 H MET 66 H MET 66 2.189 6.365 2.218 478 HA MET 66 HA MET 66 0.460 5.601 4.317 479 1HB MET 66 1HB MET 66 0.452 4.256 2.363 480 2HB MET 66 2HB MET 66 2.186 4.014 2.379 481 1HG MET 66 1HG MET 66 2.094 2.381 4.207 482 2HG MET 66 2HG MET 66 0.379 2.712 4.516 483 1HE MET 66 1HE MET 66 1.932 -0.103 3.882 484 2HE MET 66 2HE MET 66 1.884 -0.628 2.173 485 3HE MET 66 3HE MET 66 2.981 0.696 2.669 486 H MET 67 H MET 67 3.997 5.511 4.574 487 HA MET 67 HA MET 67 3.823 4.736 7.504 488 1HB MET 67 1HB MET 67 6.127 6.082 5.943 489 2HB MET 67 2HB MET 67 6.207 5.527 7.603 490 1HG MET 67 1HG MET 67 5.360 3.178 6.283 491 2HG MET 67 2HG MET 67 6.471 3.910 5.110 492 1HE MET 67 1HE MET 67 8.024 2.203 5.117 493 2HE MET 67 2HE MET 67 9.214 1.786 6.388 494 3HE MET 67 3HE MET 67 7.575 1.071 6.433 495 H GLU 68 H GLU 68 4.404 7.749 5.652 496 HA GLU 68 HA GLU 68 4.883 9.232 8.158 497 1HB GLU 68 1HB GLU 68 5.149 9.954 5.224 498 2HB GLU 68 2HB GLU 68 5.326 11.186 6.435 499 1HG GLU 68 1HG GLU 68 7.188 9.516 7.488 500 2HG GLU 68 2HG GLU 68 7.170 8.783 5.895 501 H GLY 69 H GLY 69 1.921 8.686 6.792 502 1HA GLY 69 1HA GLY 69 0.807 11.435 6.306 503 2HA GLY 69 2HA GLY 69 -0.123 9.932 6.343 504 H VAL 70 H VAL 70 -0.974 9.167 8.317 505 HA VAL 70 HA VAL 70 -2.300 11.502 9.566 506 HB VAL 70 HB VAL 70 -2.733 8.522 10.160 507 1HG1 VAL 70 1HG1 VAL 70 -4.554 10.956 10.788 508 2HG1 VAL 70 2HG1 VAL 70 -5.031 9.249 10.971 509 3HG1 VAL 70 3HG1 VAL 70 -3.744 9.912 11.981 510 1HG2 VAL 70 1HG2 VAL 70 -3.205 9.066 7.737 511 2HG2 VAL 70 2HG2 VAL 70 -4.685 8.659 8.592 512 3HG2 VAL 70 3HG2 VAL 70 -4.314 10.368 8.217 513 H GLN 71 H GLN 71 -1.455 12.622 11.239 514 HA GLN 71 HA GLN 71 0.206 11.364 13.389 515 1HB GLN 71 1HB GLN 71 1.886 11.175 11.746 516 2HB GLN 71 2HB GLN 71 1.517 12.731 11.006 517 1HG GLN 71 1HG GLN 71 2.873 13.903 12.501 518 2HG GLN 71 2HG GLN 71 2.400 12.957 13.900 519 1HE2 GLN 71 1HE2 GLN 71 5.633 11.667 11.729 520 2HE2 GLN 71 2HE2 GLN 71 4.239 12.537 10.881 521 1HN NH2 72 1HN NH2 72 0.979 14.676 12.189 522 2HN NH2 72 2HN NH2 72 0.101 15.564 13.464 No H/Q in entry = 522 Start of MODEL 19 1 1H ACE 1 1HH3 ACE 1 22.147 11.037 -5.060 2 2H ACE 1 2HH3 ACE 1 21.656 9.817 -6.288 3 3H ACE 1 3HH3 ACE 1 20.742 11.341 -6.105 4 H LYS 2 H LYS 2 21.856 8.759 -3.896 5 HA LYS 2 HA LYS 2 20.875 7.800 -1.950 6 1HB LYS 2 1HB LYS 2 20.233 9.479 -0.659 7 2HB LYS 2 2HB LYS 2 20.031 10.547 -2.031 8 1HG LYS 2 1HG LYS 2 17.591 10.081 -2.108 9 2HG LYS 2 2HG LYS 2 17.768 8.598 -1.206 10 1HD LYS 2 1HD LYS 2 16.891 9.985 0.472 11 2HD LYS 2 2HD LYS 2 18.610 10.215 0.799 12 1HE LYS 2 1HE LYS 2 17.349 12.061 -1.277 13 2HE LYS 2 2HE LYS 2 16.903 12.362 0.412 14 1HZ LYS 2 1HZ LYS 2 19.619 12.139 0.717 15 2HZ LYS 2 2HZ LYS 2 19.593 12.766 -0.822 16 3HZ LYS 2 3HZ LYS 2 18.901 13.503 0.441 17 H SER 3 H SER 3 19.956 5.910 -2.182 18 HA SER 3 HA SER 3 17.886 5.557 -4.386 19 1HB SER 3 1HB SER 3 19.654 3.297 -3.452 20 2HB SER 3 2HB SER 3 19.162 3.709 -5.077 21 HG SER 3 HG SER 3 21.364 4.457 -3.657 22 H GLU 4 H GLU 4 17.768 2.560 -3.418 23 HA GLU 4 HA GLU 4 15.362 2.910 -1.674 24 1HB GLU 4 1HB GLU 4 14.726 2.049 -4.510 25 2HB GLU 4 2HB GLU 4 13.663 2.194 -3.131 26 1HG GLU 4 1HG GLU 4 13.100 4.307 -3.867 27 2HG GLU 4 2HG GLU 4 14.729 4.861 -3.499 28 H GLU 5 H GLU 5 17.851 1.399 -1.720 29 HA GLU 5 HA GLU 5 17.762 -1.168 -2.792 30 1HB GLU 5 1HB GLU 5 19.834 -0.453 -2.088 31 2HB GLU 5 2HB GLU 5 19.319 -0.018 -0.487 32 1HG GLU 5 1HG GLU 5 20.442 -1.933 0.175 33 2HG GLU 5 2HG GLU 5 19.019 -2.814 -0.350 34 H GLU 6 H GLU 6 17.142 -0.834 0.717 35 HA GLU 6 HA GLU 6 15.924 -3.560 0.755 36 1HB GLU 6 1HB GLU 6 17.486 -3.365 2.408 37 2HB GLU 6 2HB GLU 6 17.115 -1.712 2.793 38 1HG GLU 6 1HG GLU 6 15.123 -3.935 3.578 39 2HG GLU 6 2HG GLU 6 16.549 -3.645 4.557 40 H LEU 7 H LEU 7 14.642 -0.349 0.939 41 HA LEU 7 HA LEU 7 11.808 -1.117 1.651 42 1HB LEU 7 1HB LEU 7 12.972 1.378 0.297 43 2HB LEU 7 2HB LEU 7 11.274 1.176 0.648 44 HG LEU 7 HG LEU 7 13.554 1.783 2.536 45 1HD1 LEU 7 1HD1 LEU 7 12.002 3.568 1.763 46 2HD1 LEU 7 2HD1 LEU 7 10.595 2.679 2.401 47 3HD1 LEU 7 3HD1 LEU 7 11.836 3.322 3.508 48 1HD2 LEU 7 1HD2 LEU 7 11.021 0.239 3.470 49 2HD2 LEU 7 2HD2 LEU 7 12.715 -0.308 3.602 50 3HD2 LEU 7 3HD2 LEU 7 12.169 1.078 4.548 51 H ALA 8 H ALA 8 13.661 -0.786 -1.414 52 HA ALA 8 HA ALA 8 11.571 -1.809 -3.148 53 1HB ALA 8 1HB ALA 8 14.653 -1.988 -3.373 54 2HB ALA 8 2HB ALA 8 13.512 -2.284 -4.701 55 3HB ALA 8 3HB ALA 8 13.609 -0.677 -3.972 56 H ASN 9 H ASN 9 14.362 -3.897 -2.062 57 HA ASN 9 HA ASN 9 13.301 -6.450 -2.092 58 1HB ASN 9 1HB ASN 9 14.837 -5.088 0.220 59 2HB ASN 9 2HB ASN 9 14.459 -6.788 0.259 60 1HD2 ASN 9 1HD2 ASN 9 17.851 -6.358 -1.230 61 2HD2 ASN 9 2HD2 ASN 9 17.045 -5.905 0.337 62 H ALA 10 H ALA 10 12.421 -4.189 0.544 63 HA ALA 10 HA ALA 10 10.386 -5.933 1.775 64 1HB ALA 10 1HB ALA 10 11.695 -4.167 2.969 65 2HB ALA 10 2HB ALA 10 10.852 -2.884 2.062 66 3HB ALA 10 3HB ALA 10 9.952 -3.921 3.190 67 H PHE 11 H PHE 11 9.938 -3.028 -0.305 68 HA PHE 11 HA PHE 11 7.056 -3.196 -0.596 69 1HB PHE 11 1HB PHE 11 8.433 -1.193 -1.128 70 2HB PHE 11 2HB PHE 11 9.168 -2.003 -2.470 71 HD1 PHE 11 HD1 PHE 11 7.985 -2.333 -4.628 72 HD2 PHE 11 HD2 PHE 11 6.032 -0.314 -1.369 73 HE1 PHE 11 HE1 PHE 11 6.364 -1.350 -6.196 74 HE2 PHE 11 HE2 PHE 11 4.402 0.637 -2.951 75 HZ PHE 11 HZ PHE 11 4.621 0.185 -5.375 76 H ARG 12 H ARG 12 9.558 -4.664 -2.694 77 HA ARG 12 HA ARG 12 7.677 -6.220 -4.318 78 1HB ARG 12 1HB ARG 12 9.505 -6.883 -5.468 79 2HB ARG 12 2HB ARG 12 10.353 -5.671 -4.514 80 1HG ARG 12 1HG ARG 12 11.207 -7.368 -2.943 81 2HG ARG 12 2HG ARG 12 10.126 -8.616 -3.576 82 1HD ARG 12 1HD ARG 12 11.598 -7.716 -5.877 83 2HD ARG 12 2HD ARG 12 12.800 -7.782 -4.559 84 HE ARG 12 HE ARG 12 12.474 -10.193 -4.374 85 1HH1 ARG 12 2HH1 ARG 12 10.127 -8.881 -6.560 86 2HH1 ARG 12 1HH1 ARG 12 9.645 -10.538 -7.166 87 1HH2 ARG 12 1HH2 ARG 12 11.917 -12.035 -5.057 88 2HH2 ARG 12 2HH2 ARG 12 10.636 -12.243 -6.339 89 H ILE 13 H ILE 13 9.206 -6.948 -1.211 90 HA ILE 13 HA ILE 13 8.490 -9.841 -1.011 91 HB ILE 13 HB ILE 13 9.299 -7.722 1.024 92 1HG1 ILE 13 1HG1 ILE 13 10.977 -9.244 -0.479 93 2HG1 ILE 13 2HG1 ILE 13 11.367 -8.736 1.141 94 1HG2 ILE 13 1HG2 ILE 13 7.566 -9.110 2.228 95 2HG2 ILE 13 2HG2 ILE 13 8.406 -10.607 1.762 96 3HG2 ILE 13 3HG2 ILE 13 9.157 -9.453 2.882 97 1HD1 ILE 13 1HD1 ILE 13 10.613 -10.929 2.118 98 2HD1 ILE 13 2HD1 ILE 13 10.259 -11.531 0.480 99 3HD1 ILE 13 3HD1 ILE 13 11.924 -11.113 0.930 100 H PHE 14 H PHE 14 6.836 -6.799 -0.419 101 HA PHE 14 HA PHE 14 4.352 -7.874 0.903 102 1HB PHE 14 1HB PHE 14 5.116 -5.232 -0.469 103 2HB PHE 14 2HB PHE 14 3.448 -5.581 -0.159 104 HD1 PHE 14 HD1 PHE 14 4.154 -7.145 2.588 105 HD2 PHE 14 HD2 PHE 14 5.045 -3.243 1.030 106 HE1 PHE 14 HE1 PHE 14 4.405 -6.281 4.881 107 HE2 PHE 14 HE2 PHE 14 5.317 -2.391 3.324 108 HZ PHE 14 HZ PHE 14 5.007 -3.903 5.253 109 H ASP 15 H ASP 15 4.584 -6.302 -2.299 110 HA ASP 15 HA ASP 15 2.214 -7.510 -3.497 111 1HB ASP 15 1HB ASP 15 3.320 -5.418 -4.288 112 2HB ASP 15 2HB ASP 15 4.737 -6.314 -4.812 113 H LYS 16 H LYS 16 1.823 -9.628 -3.953 114 HA LYS 16 HA LYS 16 4.155 -11.517 -3.507 115 1HB LYS 16 1HB LYS 16 2.247 -13.296 -3.293 116 2HB LYS 16 2HB LYS 16 2.536 -12.199 -1.972 117 1HG LYS 16 1HG LYS 16 0.497 -10.979 -3.690 118 2HG LYS 16 2HG LYS 16 0.109 -12.690 -3.575 119 1HD LYS 16 1HD LYS 16 0.815 -11.587 -0.904 120 2HD LYS 16 2HD LYS 16 -0.452 -10.639 -1.680 121 1HE LYS 16 1HE LYS 16 -1.229 -12.600 -0.143 122 2HE LYS 16 2HE LYS 16 -2.075 -12.361 -1.685 123 1HZ LYS 16 1HZ LYS 16 0.383 -14.147 -1.664 124 2HZ LYS 16 2HZ LYS 16 -1.071 -14.765 -1.181 125 3HZ LYS 16 3HZ LYS 16 -0.906 -14.163 -2.685 126 H ASN 17 H ASN 17 2.975 -10.071 -6.165 127 HA ASN 17 HA ASN 17 4.230 -12.352 -7.758 128 1HB ASN 17 1HB ASN 17 2.557 -11.406 -9.663 129 2HB ASN 17 2HB ASN 17 2.154 -12.719 -8.591 130 1HD2 ASN 17 1HD2 ASN 17 -0.266 -9.598 -8.695 131 2HD2 ASN 17 2HD2 ASN 17 1.259 -9.564 -9.640 132 H ALA 18 H ALA 18 3.591 -8.838 -7.720 133 HA ALA 18 HA ALA 18 5.324 -7.162 -7.701 134 1HB ALA 18 1HB ALA 18 6.721 -9.074 -6.829 135 2HB ALA 18 2HB ALA 18 7.114 -9.541 -8.498 136 3HB ALA 18 3HB ALA 18 7.678 -7.984 -7.870 137 H ASP 19 H ASP 19 3.738 -7.165 -9.977 138 HA ASP 19 HA ASP 19 5.473 -6.174 -12.228 139 1HB ASP 19 1HB ASP 19 2.513 -6.140 -11.549 140 2HB ASP 19 2HB ASP 19 3.088 -4.879 -12.631 141 H GLY 20 H GLY 20 5.174 -5.150 -9.082 142 1HA GLY 20 1HA GLY 20 6.536 -3.312 -8.194 143 2HA GLY 20 2HA GLY 20 6.443 -2.507 -9.765 144 H TYR 21 H TYR 21 3.313 -3.304 -8.836 145 HA TYR 21 HA TYR 21 2.806 -0.577 -7.500 146 1HB TYR 21 1HB TYR 21 0.833 -2.367 -9.059 147 2HB TYR 21 2HB TYR 21 0.403 -0.893 -8.244 148 HD1 TYR 21 HD1 TYR 21 3.641 -0.326 -9.618 149 HD2 TYR 21 HD2 TYR 21 -0.509 -0.520 -10.731 150 HE1 TYR 21 HE1 TYR 21 4.126 0.930 -11.681 151 HE2 TYR 21 HE2 TYR 21 0.006 0.744 -12.792 152 HH TYR 21 HH TYR 21 3.063 2.250 -13.315 153 H ILE 22 H ILE 22 1.258 -0.464 -5.752 154 HA ILE 22 HA ILE 22 0.366 -3.090 -4.457 155 HB ILE 22 HB ILE 22 -0.101 -0.329 -3.246 156 1HG1 ILE 22 1HG1 ILE 22 2.489 -0.913 -3.729 157 2HG1 ILE 22 2HG1 ILE 22 1.983 -0.138 -2.252 158 1HG2 ILE 22 1HG2 ILE 22 -1.368 -2.258 -2.198 159 2HG2 ILE 22 2HG2 ILE 22 0.152 -3.130 -1.920 160 3HG2 ILE 22 3HG2 ILE 22 -0.199 -1.609 -1.060 161 1HD1 ILE 22 1HD1 ILE 22 1.943 -2.373 -1.029 162 2HD1 ILE 22 2HD1 ILE 22 2.653 -3.128 -2.479 163 3HD1 ILE 22 3HD1 ILE 22 3.549 -1.866 -1.609 164 H ASP 23 H ASP 23 -1.852 -3.404 -3.902 165 HA ASP 23 HA ASP 23 -3.923 -1.679 -5.357 166 1HB ASP 23 1HB ASP 23 -5.079 -3.823 -6.044 167 2HB ASP 23 2HB ASP 23 -3.483 -3.628 -6.754 168 H ILE 24 H ILE 24 -6.201 -2.197 -4.661 169 HA ILE 24 HA ILE 24 -6.335 -1.557 -1.723 170 HB ILE 24 HB ILE 24 -7.703 -0.453 -3.705 171 1HG1 ILE 24 1HG1 ILE 24 -8.603 -0.878 -0.821 172 2HG1 ILE 24 2HG1 ILE 24 -8.060 0.579 -1.607 173 1HG2 ILE 24 1HG2 ILE 24 -8.924 -2.537 -4.487 174 2HG2 ILE 24 2HG2 ILE 24 -9.686 -2.703 -2.893 175 3HG2 ILE 24 3HG2 ILE 24 -10.071 -1.321 -3.950 176 1HD1 ILE 24 1HD1 ILE 24 -10.225 0.729 -2.940 177 2HD1 ILE 24 2HD1 ILE 24 -10.859 -0.631 -1.982 178 3HD1 ILE 24 3HD1 ILE 24 -10.424 0.890 -1.175 179 H GLU 25 H GLU 25 -6.982 -4.326 -3.734 180 HA GLU 25 HA GLU 25 -8.392 -5.965 -1.656 181 1HB GLU 25 1HB GLU 25 -6.977 -7.049 -4.122 182 2HB GLU 25 2HB GLU 25 -8.180 -7.850 -3.158 183 1HG GLU 25 1HG GLU 25 -9.797 -5.823 -3.964 184 2HG GLU 25 2HG GLU 25 -8.593 -5.604 -5.221 185 H GLU 26 H GLU 26 -5.050 -5.440 -2.593 186 HA GLU 26 HA GLU 26 -3.884 -7.529 -0.791 187 1HB GLU 26 1HB GLU 26 -2.646 -5.321 -2.470 188 2HB GLU 26 2HB GLU 26 -1.681 -6.212 -1.332 189 1HG GLU 26 1HG GLU 26 -2.413 -8.403 -2.610 190 2HG GLU 26 2HG GLU 26 -3.102 -7.355 -3.837 191 H LEU 27 H LEU 27 -4.865 -4.233 -0.377 192 HA LEU 27 HA LEU 27 -3.137 -3.291 1.711 193 1HB LEU 27 1HB LEU 27 -4.659 -1.850 0.441 194 2HB LEU 27 2HB LEU 27 -6.071 -2.605 1.133 195 HG LEU 27 HG LEU 27 -4.994 -1.733 3.482 196 1HD1 LEU 27 1HD1 LEU 27 -2.920 -0.829 2.425 197 2HD1 LEU 27 2HD1 LEU 27 -3.879 0.299 1.425 198 3HD1 LEU 27 3HD1 LEU 27 -3.852 0.448 3.206 199 1HD2 LEU 27 1HD2 LEU 27 -6.525 0.143 1.530 200 2HD2 LEU 27 2HD2 LEU 27 -7.264 -1.049 2.640 201 3HD2 LEU 27 3HD2 LEU 27 -6.389 0.337 3.300 202 H GLY 28 H GLY 28 -6.110 -5.190 2.137 203 1HA GLY 28 1HA GLY 28 -6.062 -5.165 5.089 204 2HA GLY 28 2HA GLY 28 -7.092 -6.203 4.096 205 H GLU 29 H GLU 29 -4.963 -7.657 2.763 206 HA GLU 29 HA GLU 29 -4.006 -9.512 4.851 207 1HB GLU 29 1HB GLU 29 -4.030 -9.428 1.893 208 2HB GLU 29 2HB GLU 29 -2.621 -10.227 2.521 209 1HG GLU 29 1HG GLU 29 -4.896 -11.350 3.974 210 2HG GLU 29 2HG GLU 29 -5.369 -11.267 2.287 211 H ILE 30 H ILE 30 -2.295 -7.076 2.931 212 HA ILE 30 HA ILE 30 0.379 -7.094 4.132 213 HB ILE 30 HB ILE 30 -1.418 -4.807 3.220 214 1HG1 ILE 30 1HG1 ILE 30 0.055 -4.520 1.358 215 2HG1 ILE 30 2HG1 ILE 30 1.392 -5.319 2.137 216 1HG2 ILE 30 1HG2 ILE 30 -0.097 -3.873 5.154 217 2HG2 ILE 30 2HG2 ILE 30 1.421 -4.447 4.418 218 3HG2 ILE 30 3HG2 ILE 30 0.451 -3.168 3.637 219 1HD1 ILE 30 1HD1 ILE 30 -1.048 -6.882 1.057 220 2HD1 ILE 30 2HD1 ILE 30 0.559 -6.737 0.314 221 3HD1 ILE 30 3HD1 ILE 30 0.381 -7.573 1.869 222 H LEU 31 H LEU 31 -2.539 -5.409 5.368 223 HA LEU 31 HA LEU 31 -1.097 -4.594 7.872 224 1HB LEU 31 1HB LEU 31 -2.879 -3.129 8.301 225 2HB LEU 31 2HB LEU 31 -2.702 -3.102 6.564 226 HG LEU 31 HG LEU 31 -4.675 -4.800 6.430 227 1HD1 LEU 31 1HD1 LEU 31 -4.973 -3.956 9.392 228 2HD1 LEU 31 2HD1 LEU 31 -6.217 -4.795 8.427 229 3HD1 LEU 31 3HD1 LEU 31 -4.677 -5.596 8.750 230 1HD2 LEU 31 1HD2 LEU 31 -5.192 -1.952 7.552 231 2HD2 LEU 31 2HD2 LEU 31 -5.071 -2.418 5.832 232 3HD2 LEU 31 3HD2 LEU 31 -6.432 -2.992 6.802 233 H ARG 32 H ARG 32 -3.314 -7.179 7.087 234 HA ARG 32 HA ARG 32 -3.149 -8.121 10.006 235 1HB ARG 32 1HB ARG 32 -5.331 -7.508 8.682 236 2HB ARG 32 2HB ARG 32 -5.119 -9.033 7.823 237 1HG ARG 32 1HG ARG 32 -6.256 -10.039 9.555 238 2HG ARG 32 2HG ARG 32 -4.848 -9.723 10.586 239 1HD ARG 32 1HD ARG 32 -6.929 -7.494 10.121 240 2HD ARG 32 2HD ARG 32 -7.261 -8.772 11.312 241 HE ARG 32 HE ARG 32 -4.532 -7.474 11.553 242 1HH1 ARG 32 2HH1 ARG 32 -7.782 -7.539 12.778 243 2HH1 ARG 32 1HH1 ARG 32 -7.297 -6.683 14.319 244 1HH2 ARG 32 1HH2 ARG 32 -4.029 -6.488 13.287 245 2HH2 ARG 32 2HH2 ARG 32 -5.275 -6.108 14.563 246 H ALA 33 H ALA 33 -1.119 -8.538 7.630 247 HA ALA 33 HA ALA 33 -0.682 -11.471 7.860 248 1HB ALA 33 1HB ALA 33 0.051 -10.131 5.894 249 2HB ALA 33 2HB ALA 33 1.171 -9.186 6.912 250 3HB ALA 33 3HB ALA 33 1.442 -10.923 6.652 251 H THR 34 H THR 34 1.262 -12.459 8.716 252 HA THR 34 HA THR 34 2.830 -10.974 10.828 253 HB THR 34 HB THR 34 1.448 -13.657 11.408 254 HG1 THR 34 HG1 THR 34 1.725 -11.411 13.093 255 1HG2 THR 34 2HG2 THR 34 3.941 -13.715 12.072 256 2HG2 THR 34 3HG2 THR 34 3.655 -12.291 13.105 257 3HG2 THR 34 1HG2 THR 34 2.841 -13.821 13.471 258 H GLY 35 H GLY 35 4.339 -10.970 8.961 259 1HA GLY 35 1HA GLY 35 6.353 -13.220 9.525 260 2HA GLY 35 2HA GLY 35 5.977 -12.816 7.846 261 1HN NH2 36 1HN NH2 36 8.235 -12.303 10.308 262 2HN NH2 36 2HN NH2 36 8.955 -10.774 9.736 263 1H ACE 37 1HH3 ACE 37 -18.879 -4.795 11.171 264 2H ACE 37 2HH3 ACE 37 -18.731 -6.407 11.952 265 3H ACE 37 3HH3 ACE 37 -18.136 -4.947 12.786 266 H VAL 38 H VAL 38 -17.466 -7.157 10.081 267 HA VAL 38 HA VAL 38 -15.155 -5.479 9.021 268 HB VAL 38 HB VAL 38 -14.305 -6.838 11.014 269 1HG1 VAL 38 1HG1 VAL 38 -14.715 -9.239 9.086 270 2HG1 VAL 38 2HG1 VAL 38 -13.701 -9.292 10.546 271 3HG1 VAL 38 3HG1 VAL 38 -15.443 -9.033 10.690 272 1HG2 VAL 38 1HG2 VAL 38 -12.700 -5.960 9.260 273 2HG2 VAL 38 2HG2 VAL 38 -12.165 -7.542 9.867 274 3HG2 VAL 38 3HG2 VAL 38 -12.965 -7.419 8.281 275 H THR 39 H THR 39 -15.266 -5.543 6.918 276 HA THR 39 HA THR 39 -15.373 -8.173 5.489 277 HB THR 39 HB THR 39 -16.883 -6.826 3.616 278 HG1 THR 39 HG1 THR 39 -17.618 -5.203 4.834 279 1HG2 THR 39 2HG2 THR 39 -17.935 -8.617 5.917 280 2HG2 THR 39 3HG2 THR 39 -18.781 -8.315 4.380 281 3HG2 THR 39 1HG2 THR 39 -17.236 -9.191 4.386 282 H GLU 40 H GLU 40 -15.194 -7.318 2.900 283 HA GLU 40 HA GLU 40 -12.812 -5.585 2.474 284 1HB GLU 40 1HB GLU 40 -12.936 -6.135 0.324 285 2HB GLU 40 2HB GLU 40 -13.982 -7.398 0.897 286 1HG GLU 40 1HG GLU 40 -15.491 -6.699 -0.701 287 2HG GLU 40 2HG GLU 40 -15.846 -5.318 0.321 288 H GLU 41 H GLU 41 -16.137 -4.890 3.126 289 HA GLU 41 HA GLU 41 -16.381 -2.241 2.102 290 1HB GLU 41 1HB GLU 41 -17.774 -3.811 4.220 291 2HB GLU 41 2HB GLU 41 -17.972 -2.090 4.361 292 1HG GLU 41 1HG GLU 41 -19.866 -2.731 3.056 293 2HG GLU 41 2HG GLU 41 -18.775 -2.146 1.813 294 H ASP 42 H ASP 42 -14.909 -3.110 5.205 295 HA ASP 42 HA ASP 42 -14.437 -0.329 6.062 296 1HB ASP 42 1HB ASP 42 -13.600 -3.090 7.083 297 2HB ASP 42 2HB ASP 42 -12.885 -1.655 7.806 298 H ILE 43 H ILE 43 -12.392 -2.645 4.372 299 HA ILE 43 HA ILE 43 -9.879 -1.006 4.275 300 HB ILE 43 HB ILE 43 -10.885 -3.330 2.568 301 1HG1 ILE 43 1HG1 ILE 43 -9.947 -4.406 4.418 302 2HG1 ILE 43 2HG1 ILE 43 -8.536 -4.284 3.403 303 1HG2 ILE 43 1HG2 ILE 43 -9.604 -1.829 0.992 304 2HG2 ILE 43 2HG2 ILE 43 -8.232 -1.773 2.117 305 3HG2 ILE 43 3HG2 ILE 43 -8.679 -3.291 1.300 306 1HD1 ILE 43 1HD1 ILE 43 -7.735 -2.220 4.629 307 2HD1 ILE 43 2HD1 ILE 43 -9.085 -2.405 5.781 308 3HD1 ILE 43 3HD1 ILE 43 -7.846 -3.672 5.648 309 H GLU 44 H GLU 44 -12.867 -1.175 2.356 310 HA GLU 44 HA GLU 44 -11.836 0.493 0.088 311 1HB GLU 44 1HB GLU 44 -13.458 -0.478 -1.025 312 2HB GLU 44 2HB GLU 44 -13.972 -1.316 0.407 313 1HG GLU 44 1HG GLU 44 -15.961 -0.134 0.502 314 2HG GLU 44 2HG GLU 44 -15.164 1.422 0.363 315 H ASP 45 H ASP 45 -13.708 1.096 2.999 316 HA ASP 45 HA ASP 45 -14.332 3.977 2.399 317 1HB ASP 45 1HB ASP 45 -14.748 2.104 4.781 318 2HB ASP 45 2HB ASP 45 -14.902 3.838 5.025 319 H LEU 46 H LEU 46 -11.833 2.229 4.175 320 HA LEU 46 HA LEU 46 -10.224 4.522 5.181 321 1HB LEU 46 1HB LEU 46 -9.927 2.133 5.847 322 2HB LEU 46 2HB LEU 46 -9.346 1.723 4.251 323 HG LEU 46 HG LEU 46 -7.791 3.894 5.710 324 1HD1 LEU 46 1HD1 LEU 46 -7.972 0.995 6.690 325 2HD1 LEU 46 2HD1 LEU 46 -6.451 1.924 6.823 326 3HD1 LEU 46 3HD1 LEU 46 -7.915 2.523 7.617 327 1HD2 LEU 46 1HD2 LEU 46 -7.277 2.577 3.332 328 2HD2 LEU 46 2HD2 LEU 46 -5.990 3.191 4.411 329 3HD2 LEU 46 3HD2 LEU 46 -6.447 1.488 4.481 330 H MET 47 H MET 47 -9.941 2.778 2.086 331 HA MET 47 HA MET 47 -7.938 4.795 1.095 332 1HB MET 47 1HB MET 47 -7.572 2.316 0.879 333 2HB MET 47 2HB MET 47 -8.952 2.198 -0.199 334 1HG MET 47 1HG MET 47 -7.809 3.015 -2.048 335 2HG MET 47 2HG MET 47 -6.926 4.231 -1.107 336 1HE MET 47 1HE MET 47 -5.953 2.316 -3.483 337 2HE MET 47 2HE MET 47 -4.878 3.552 -2.768 338 3HE MET 47 3HE MET 47 -4.296 1.871 -2.945 339 H LYS 48 H LYS 48 -11.310 4.799 0.903 340 HA LYS 48 HA LYS 48 -11.151 6.771 -1.403 341 1HB LYS 48 1HB LYS 48 -13.607 7.051 -0.957 342 2HB LYS 48 2HB LYS 48 -13.150 5.458 -1.474 343 1HG LYS 48 1HG LYS 48 -14.235 4.572 0.393 344 2HG LYS 48 2HG LYS 48 -13.095 5.373 1.428 345 1HD LYS 48 1HD LYS 48 -15.909 6.168 0.819 346 2HD LYS 48 2HD LYS 48 -15.045 6.354 2.309 347 1HE LYS 48 1HE LYS 48 -14.533 8.595 1.809 348 2HE LYS 48 2HE LYS 48 -13.917 8.174 0.220 349 1HZ LYS 48 1HZ LYS 48 -16.538 7.859 -0.352 350 2HZ LYS 48 2HZ LYS 48 -16.727 8.872 0.913 351 3HZ LYS 48 3HZ LYS 48 -15.904 9.389 -0.338 352 H ASP 49 H ASP 49 -11.129 6.698 2.087 353 HA ASP 49 HA ASP 49 -11.822 9.607 2.526 354 1HB ASP 49 1HB ASP 49 -12.299 7.678 4.196 355 2HB ASP 49 2HB ASP 49 -10.584 7.674 4.583 356 H SER 50 H SER 50 -8.872 7.701 2.187 357 HA SER 50 HA SER 50 -7.069 10.098 2.771 358 1HB SER 50 1HB SER 50 -6.683 7.099 2.728 359 2HB SER 50 2HB SER 50 -5.328 8.026 2.091 360 HG SER 50 HG SER 50 -6.616 8.515 4.598 361 H ASP 51 H ASP 51 -8.216 8.057 0.152 362 HA ASP 51 HA ASP 51 -5.886 8.520 -1.595 363 1HB ASP 51 1HB ASP 51 -7.372 6.381 -1.272 364 2HB ASP 51 2HB ASP 51 -8.490 7.102 -2.421 365 H LYS 52 H LYS 52 -5.578 10.449 -2.431 366 HA LYS 52 HA LYS 52 -7.389 11.091 -4.796 367 1HB LYS 52 1HB LYS 52 -6.298 13.499 -4.622 368 2HB LYS 52 2HB LYS 52 -7.769 13.138 -3.772 369 1HG LYS 52 1HG LYS 52 -5.092 12.730 -2.283 370 2HG LYS 52 2HG LYS 52 -5.558 14.360 -2.653 371 1HD LYS 52 1HD LYS 52 -7.714 12.687 -1.349 372 2HD LYS 52 2HD LYS 52 -6.381 13.079 -0.315 373 1HE LYS 52 1HE LYS 52 -7.515 15.081 0.119 374 2HE LYS 52 2HE LYS 52 -6.978 15.615 -1.472 375 1HZ LYS 52 1HZ LYS 52 -9.445 13.898 -1.349 376 2HZ LYS 52 2HZ LYS 52 -9.640 15.414 -0.934 377 3HZ LYS 52 3HZ LYS 52 -9.107 15.046 -2.458 378 H ASN 53 H ASN 53 -4.704 9.529 -3.975 379 HA ASN 53 HA ASN 53 -3.055 10.106 -6.329 380 1HB ASN 53 1HB ASN 53 -1.930 7.968 -5.801 381 2HB ASN 53 2HB ASN 53 -2.264 8.820 -4.320 382 1HD2 ASN 53 1HD2 ASN 53 -4.090 6.103 -3.006 383 2HD2 ASN 53 2HD2 ASN 53 -3.340 7.741 -2.742 384 H ASN 54 H ASN 54 -6.063 9.603 -6.700 385 HA ASN 54 HA ASN 54 -7.576 8.723 -8.334 386 1HB ASN 54 1HB ASN 54 -4.885 8.239 -9.750 387 2HB ASN 54 2HB ASN 54 -6.296 7.420 -10.358 388 1HD2 ASN 54 1HD2 ASN 54 -7.397 10.302 -12.066 389 2HD2 ASN 54 2HD2 ASN 54 -7.675 8.547 -11.665 390 H ASP 55 H ASP 55 -8.825 7.015 -7.769 391 HA ASP 55 HA ASP 55 -7.692 5.464 -5.519 392 1HB ASP 55 1HB ASP 55 -10.202 6.483 -6.208 393 2HB ASP 55 2HB ASP 55 -10.464 4.763 -6.461 394 H GLY 56 H GLY 56 -7.781 4.743 -8.835 395 1HA GLY 56 1HA GLY 56 -8.368 1.916 -9.184 396 2HA GLY 56 2HA GLY 56 -7.119 2.790 -10.079 397 H ARG 57 H ARG 57 -5.184 3.340 -8.281 398 HA ARG 57 HA ARG 57 -4.198 0.847 -6.949 399 1HB ARG 57 1HB ARG 57 -3.638 1.372 -9.887 400 2HB ARG 57 2HB ARG 57 -2.330 0.693 -8.920 401 1HG ARG 57 1HG ARG 57 -4.160 -1.088 -8.110 402 2HG ARG 57 2HG ARG 57 -5.123 -0.509 -9.467 403 1HD ARG 57 1HD ARG 57 -3.731 -1.537 -11.069 404 2HD ARG 57 2HD ARG 57 -2.261 -1.155 -10.175 405 HE ARG 57 HE ARG 57 -2.617 -3.025 -8.563 406 1HH1 ARG 57 2HH1 ARG 57 -4.823 -3.150 -11.232 407 2HH1 ARG 57 1HH1 ARG 57 -5.028 -4.969 -11.041 408 1HH2 ARG 57 1HH2 ARG 57 -3.013 -4.954 -8.272 409 2HH2 ARG 57 2HH2 ARG 57 -4.105 -5.927 -9.374 410 H ILE 58 H ILE 58 -2.235 1.008 -5.948 411 HA ILE 58 HA ILE 58 -0.978 3.762 -5.734 412 HB ILE 58 HB ILE 58 -1.085 1.370 -3.853 413 1HG1 ILE 58 1HG1 ILE 58 -1.965 4.317 -3.627 414 2HG1 ILE 58 2HG1 ILE 58 -2.982 2.904 -3.625 415 1HG2 ILE 58 1HG2 ILE 58 1.318 2.162 -3.749 416 2HG2 ILE 58 2HG2 ILE 58 0.775 3.823 -3.438 417 3HG2 ILE 58 3HG2 ILE 58 0.479 2.534 -2.247 418 1HD1 ILE 58 1HD1 ILE 58 -2.048 2.136 -1.395 419 2HD1 ILE 58 2HD1 ILE 58 -1.098 3.642 -1.304 420 3HD1 ILE 58 3HD1 ILE 58 -2.874 3.713 -1.331 421 H ASP 59 H ASP 59 1.307 4.063 -5.713 422 HA ASP 59 HA ASP 59 3.091 1.723 -6.568 423 1HB ASP 59 1HB ASP 59 4.209 3.191 -8.205 424 2HB ASP 59 2HB ASP 59 2.479 3.164 -8.514 425 H PHE 60 H PHE 60 5.542 2.947 -6.596 426 HA PHE 60 HA PHE 60 6.220 2.237 -3.818 427 1HB PHE 60 1HB PHE 60 7.579 1.892 -6.044 428 2HB PHE 60 2HB PHE 60 8.152 3.512 -5.835 429 HD1 PHE 60 HD1 PHE 60 8.154 2.970 -2.527 430 HD2 PHE 60 HD2 PHE 60 9.991 1.172 -5.969 431 HE1 PHE 60 HE1 PHE 60 10.008 2.145 -1.121 432 HE2 PHE 60 HE2 PHE 60 11.854 0.402 -4.576 433 HZ PHE 60 HZ PHE 60 11.869 0.869 -2.144 434 H ASP 61 H ASP 61 5.809 5.338 -5.356 435 HA ASP 61 HA ASP 61 7.014 7.222 -3.419 436 1HB ASP 61 1HB ASP 61 6.185 8.319 -5.352 437 2HB ASP 61 2HB ASP 61 4.814 7.241 -5.534 438 H GLU 62 H GLU 62 3.600 6.817 -3.803 439 HA GLU 62 HA GLU 62 2.357 7.283 -1.289 440 1HB GLU 62 1HB GLU 62 1.501 4.885 -2.937 441 2HB GLU 62 2HB GLU 62 0.517 5.927 -1.953 442 1HG GLU 62 1HG GLU 62 1.870 6.861 -4.586 443 2HG GLU 62 2HG GLU 62 0.230 6.243 -4.500 444 H PHE 63 H PHE 63 4.408 4.479 -1.958 445 HA PHE 63 HA PHE 63 3.693 2.865 0.478 446 1HB PHE 63 1HB PHE 63 4.945 2.027 -1.622 447 2HB PHE 63 2HB PHE 63 6.345 2.890 -1.081 448 HD1 PHE 63 HD1 PHE 63 4.151 0.003 -0.055 449 HD2 PHE 63 HD2 PHE 63 7.815 2.127 0.711 450 HE1 PHE 63 HE1 PHE 63 4.979 -1.885 1.254 451 HE2 PHE 63 HE2 PHE 63 8.622 0.220 2.044 452 HZ PHE 63 HZ PHE 63 7.261 -1.838 2.211 453 H LEU 64 H LEU 64 6.565 4.877 -0.227 454 HA LEU 64 HA LEU 64 7.616 5.360 2.398 455 1HB LEU 64 1HB LEU 64 7.479 7.209 -0.035 456 2HB LEU 64 2HB LEU 64 8.332 7.679 1.415 457 HG LEU 64 HG LEU 64 9.047 5.031 0.054 458 1HD1 LEU 64 1HD1 LEU 64 9.988 7.843 -0.841 459 2HD1 LEU 64 2HD1 LEU 64 10.757 6.307 -1.328 460 3HD1 LEU 64 3HD1 LEU 64 9.082 6.630 -1.787 461 1HD2 LEU 64 1HD2 LEU 64 10.696 7.073 1.720 462 2HD2 LEU 64 2HD2 LEU 64 10.182 5.439 2.230 463 3HD2 LEU 64 3HD2 LEU 64 11.369 5.624 0.932 464 H LYS 65 H LYS 65 4.915 7.120 0.889 465 HA LYS 65 HA LYS 65 4.606 9.053 3.142 466 1HB LYS 65 1HB LYS 65 3.432 10.183 1.568 467 2HB LYS 65 2HB LYS 65 4.213 9.076 0.457 468 1HG LYS 65 1HG LYS 65 2.153 8.106 -0.143 469 2HG LYS 65 2HG LYS 65 1.531 8.154 1.517 470 1HD LYS 65 1HD LYS 65 1.973 10.738 -0.061 471 2HD LYS 65 2HD LYS 65 0.475 9.831 -0.291 472 1HE LYS 65 1HE LYS 65 -0.047 10.187 2.196 473 2HE LYS 65 2HE LYS 65 1.518 10.996 2.395 474 1HZ LYS 65 1HZ LYS 65 0.560 12.482 0.323 475 2HZ LYS 65 2HZ LYS 65 -0.897 12.095 0.993 476 3HZ LYS 65 3HZ LYS 65 0.246 12.880 1.849 477 H MET 66 H MET 66 2.790 6.150 2.106 478 HA MET 66 HA MET 66 0.803 6.276 4.263 479 1HB MET 66 1HB MET 66 0.257 5.181 2.166 480 2HB MET 66 2HB MET 66 1.633 4.104 2.269 481 1HG MET 66 1HG MET 66 0.650 2.704 3.965 482 2HG MET 66 2HG MET 66 -0.586 3.904 4.392 483 1HE MET 66 1HE MET 66 0.666 1.198 1.908 484 2HE MET 66 2HE MET 66 -0.388 1.413 0.480 485 3HE MET 66 3HE MET 66 0.826 2.663 0.890 486 H MET 67 H MET 67 3.912 4.583 4.103 487 HA MET 67 HA MET 67 3.548 3.164 6.716 488 1HB MET 67 1HB MET 67 5.392 1.970 6.088 489 2HB MET 67 2HB MET 67 5.175 2.733 4.526 490 1HG MET 67 1HG MET 67 6.821 4.552 5.117 491 2HG MET 67 2HG MET 67 7.085 3.806 6.705 492 1HE MET 67 1HE MET 67 8.465 2.396 7.292 493 2HE MET 67 2HE MET 67 8.312 0.749 6.609 494 3HE MET 67 3HE MET 67 9.808 1.700 6.334 495 H GLU 68 H GLU 68 5.189 6.142 5.673 496 HA GLU 68 HA GLU 68 6.193 6.748 8.400 497 1HB GLU 68 1HB GLU 68 6.278 8.394 5.834 498 2HB GLU 68 2HB GLU 68 7.005 8.914 7.324 499 1HG GLU 68 1HG GLU 68 8.703 7.121 7.249 500 2HG GLU 68 2HG GLU 68 7.843 6.242 5.998 501 H GLY 69 H GLY 69 3.415 7.861 6.565 502 1HA GLY 69 1HA GLY 69 1.251 8.289 7.605 503 2HA GLY 69 2HA GLY 69 2.066 8.417 9.168 504 H VAL 70 H VAL 70 0.903 10.171 6.408 505 HA VAL 70 HA VAL 70 1.415 12.890 7.741 506 HB VAL 70 HB VAL 70 0.077 12.650 5.027 507 1HG1 VAL 70 1HG1 VAL 70 1.997 14.756 6.256 508 2HG1 VAL 70 2HG1 VAL 70 1.307 14.837 4.615 509 3HG1 VAL 70 3HG1 VAL 70 0.243 14.943 6.019 510 1HG2 VAL 70 1HG2 VAL 70 2.146 11.218 4.784 511 2HG2 VAL 70 2HG2 VAL 70 2.290 12.698 3.848 512 3HG2 VAL 70 3HG2 VAL 70 3.164 12.538 5.401 513 H GLN 71 H GLN 71 -0.692 14.369 7.555 514 HA GLN 71 HA GLN 71 -3.149 13.844 8.541 515 1HB GLN 71 1HB GLN 71 -2.618 15.109 5.803 516 2HB GLN 71 2HB GLN 71 -4.216 15.117 6.547 517 1HG GLN 71 1HG GLN 71 -1.626 16.463 7.536 518 2HG GLN 71 2HG GLN 71 -3.140 17.254 7.141 519 1HE2 GLN 71 1HE2 GLN 71 -4.404 16.861 10.443 520 2HE2 GLN 71 2HE2 GLN 71 -4.804 17.225 8.675 521 1HN NH2 72 1HN NH2 72 -3.364 13.217 4.966 522 2HN NH2 72 2HN NH2 72 -4.218 11.657 5.114 No H/Q in entry = 522 Start of MODEL 20 1 1H ACE 1 1HH3 ACE 1 19.693 11.129 0.406 2 2H ACE 1 2HH3 ACE 1 18.983 12.651 1.052 3 3H ACE 1 3HH3 ACE 1 19.825 11.509 2.137 4 H LYS 2 H LYS 2 16.937 11.631 -0.036 5 HA LYS 2 HA LYS 2 15.391 9.769 1.623 6 1HB LYS 2 1HB LYS 2 14.970 10.585 -1.301 7 2HB LYS 2 2HB LYS 2 13.786 9.677 -0.387 8 1HG LYS 2 1HG LYS 2 13.725 11.764 1.271 9 2HG LYS 2 2HG LYS 2 14.780 12.581 0.147 10 1HD LYS 2 1HD LYS 2 12.112 11.415 -0.853 11 2HD LYS 2 2HD LYS 2 12.120 12.945 0.027 12 1HE LYS 2 1HE LYS 2 12.379 13.785 -2.127 13 2HE LYS 2 2HE LYS 2 14.096 13.639 -1.713 14 1HZ LYS 2 1HZ LYS 2 13.975 11.272 -2.820 15 2HZ LYS 2 2HZ LYS 2 12.508 11.716 -3.464 16 3HZ LYS 2 3HZ LYS 2 13.886 12.497 -3.790 17 H SER 3 H SER 3 16.193 7.820 1.996 18 HA SER 3 HA SER 3 17.807 6.241 0.127 19 1HB SER 3 1HB SER 3 18.442 5.919 2.304 20 2HB SER 3 2HB SER 3 16.829 6.015 2.968 21 HG SER 3 HG SER 3 17.378 3.932 3.163 22 H GLU 4 H GLU 4 17.251 4.868 -1.448 23 HA GLU 4 HA GLU 4 14.276 4.452 -1.961 24 1HB GLU 4 1HB GLU 4 16.369 3.930 -4.074 25 2HB GLU 4 2HB GLU 4 14.636 4.105 -4.202 26 1HG GLU 4 1HG GLU 4 15.394 6.673 -3.268 27 2HG GLU 4 2HG GLU 4 16.775 6.226 -4.262 28 H GLU 5 H GLU 5 17.033 2.697 -0.965 29 HA GLU 5 HA GLU 5 16.584 0.269 -2.461 30 1HB GLU 5 1HB GLU 5 18.782 0.651 -1.939 31 2HB GLU 5 2HB GLU 5 18.484 1.092 -0.286 32 1HG GLU 5 1HG GLU 5 19.251 -0.987 0.337 33 2HG GLU 5 2HG GLU 5 17.815 -1.712 -0.363 34 H GLU 6 H GLU 6 15.987 0.709 1.036 35 HA GLU 6 HA GLU 6 14.822 -1.973 1.532 36 1HB GLU 6 1HB GLU 6 15.508 -1.161 3.506 37 2HB GLU 6 2HB GLU 6 15.258 0.507 3.091 38 1HG GLU 6 1HG GLU 6 13.038 0.552 3.970 39 2HG GLU 6 2HG GLU 6 12.739 -1.147 3.656 40 H LEU 7 H LEU 7 13.196 1.198 1.094 41 HA LEU 7 HA LEU 7 10.454 0.366 0.798 42 1HB LEU 7 1HB LEU 7 12.030 2.590 -0.585 43 2HB LEU 7 2HB LEU 7 10.336 2.347 -0.936 44 HG LEU 7 HG LEU 7 11.247 4.067 0.977 45 1HD1 LEU 7 1HD1 LEU 7 8.929 3.959 0.080 46 2HD1 LEU 7 2HD1 LEU 7 8.565 2.525 1.076 47 3HD1 LEU 7 3HD1 LEU 7 8.899 4.099 1.844 48 1HD2 LEU 7 1HD2 LEU 7 10.564 1.472 2.550 49 2HD2 LEU 7 2HD2 LEU 7 12.122 2.345 2.553 50 3HD2 LEU 7 3HD2 LEU 7 10.694 3.102 3.264 51 H ALA 8 H ALA 8 12.925 0.359 -1.798 52 HA ALA 8 HA ALA 8 11.333 -0.903 -3.846 53 1HB ALA 8 1HB ALA 8 14.393 -0.928 -3.386 54 2HB ALA 8 2HB ALA 8 13.585 -1.355 -4.908 55 3HB ALA 8 3HB ALA 8 13.454 0.292 -4.279 56 H ASN 9 H ASN 9 13.984 -2.752 -2.244 57 HA ASN 9 HA ASN 9 13.272 -5.387 -2.518 58 1HB ASN 9 1HB ASN 9 14.048 -4.141 0.212 59 2HB ASN 9 2HB ASN 9 14.160 -5.836 -0.172 60 1HD2 ASN 9 1HD2 ASN 9 17.406 -3.873 -0.807 61 2HD2 ASN 9 2HD2 ASN 9 16.167 -3.698 0.515 62 H ALA 10 H ALA 10 11.714 -3.499 0.112 63 HA ALA 10 HA ALA 10 9.709 -5.452 0.852 64 1HB ALA 10 1HB ALA 10 10.450 -3.495 2.223 65 2HB ALA 10 2HB ALA 10 9.610 -2.368 1.126 66 3HB ALA 10 3HB ALA 10 8.681 -3.539 2.087 67 H PHE 11 H PHE 11 9.361 -2.782 -1.496 68 HA PHE 11 HA PHE 11 6.538 -3.145 -2.095 69 1HB PHE 11 1HB PHE 11 7.844 -1.074 -2.545 70 2HB PHE 11 2HB PHE 11 8.773 -1.876 -3.765 71 HD1 PHE 11 HD1 PHE 11 5.404 -0.482 -3.030 72 HD2 PHE 11 HD2 PHE 11 7.879 -2.247 -6.075 73 HE1 PHE 11 HE1 PHE 11 3.823 0.265 -4.761 74 HE2 PHE 11 HE2 PHE 11 6.282 -1.493 -7.792 75 HZ PHE 11 HZ PHE 11 4.249 -0.242 -7.134 76 H ARG 12 H ARG 12 9.358 -4.577 -3.748 77 HA ARG 12 HA ARG 12 7.759 -6.225 -5.595 78 1HB ARG 12 1HB ARG 12 10.674 -6.480 -4.659 79 2HB ARG 12 2HB ARG 12 9.967 -7.542 -5.870 80 1HG ARG 12 1HG ARG 12 9.296 -5.244 -7.108 81 2HG ARG 12 2HG ARG 12 10.516 -4.512 -6.058 82 1HD ARG 12 1HD ARG 12 11.925 -5.049 -7.835 83 2HD ARG 12 2HD ARG 12 12.035 -6.604 -6.965 84 HE ARG 12 HE ARG 12 9.811 -6.260 -9.042 85 1HH1 ARG 12 2HH1 ARG 12 12.712 -7.900 -8.094 86 2HH1 ARG 12 1HH1 ARG 12 12.482 -9.207 -9.353 87 1HH2 ARG 12 1HH2 ARG 12 9.570 -7.729 -10.439 88 2HH2 ARG 12 2HH2 ARG 12 10.761 -9.099 -10.617 89 H ILE 13 H ILE 13 8.898 -6.804 -2.301 90 HA ILE 13 HA ILE 13 8.456 -9.764 -2.230 91 HB ILE 13 HB ILE 13 8.951 -7.664 -0.070 92 1HG1 ILE 13 1HG1 ILE 13 10.877 -8.825 -1.558 93 2HG1 ILE 13 2HG1 ILE 13 11.118 -8.463 0.130 94 1HG2 ILE 13 1HG2 ILE 13 7.357 -9.321 0.973 95 2HG2 ILE 13 2HG2 ILE 13 8.394 -10.676 0.465 96 3HG2 ILE 13 3HG2 ILE 13 8.951 -9.509 1.681 97 1HD1 ILE 13 1HD1 ILE 13 10.582 -10.824 0.817 98 2HD1 ILE 13 2HD1 ILE 13 10.389 -11.273 -0.896 99 3HD1 ILE 13 3HD1 ILE 13 11.966 -10.722 -0.295 100 H PHE 14 H PHE 14 6.502 -6.893 -1.585 101 HA PHE 14 HA PHE 14 4.044 -8.308 -0.718 102 1HB PHE 14 1HB PHE 14 4.612 -5.496 -1.830 103 2HB PHE 14 2HB PHE 14 2.977 -6.026 -1.611 104 HD1 PHE 14 HD1 PHE 14 4.083 -7.757 1.027 105 HD2 PHE 14 HD2 PHE 14 3.981 -3.636 -0.181 106 HE1 PHE 14 HE1 PHE 14 4.167 -7.058 3.387 107 HE2 PHE 14 HE2 PHE 14 4.088 -2.944 2.180 108 HZ PHE 14 HZ PHE 14 4.232 -4.646 3.966 109 H ASP 15 H ASP 15 5.041 -6.977 -3.883 110 HA ASP 15 HA ASP 15 2.526 -7.554 -5.217 111 1HB ASP 15 1HB ASP 15 4.068 -5.695 -5.817 112 2HB ASP 15 2HB ASP 15 5.289 -6.824 -6.382 113 H LYS 16 H LYS 16 1.730 -9.557 -5.599 114 HA LYS 16 HA LYS 16 3.704 -11.847 -5.976 115 1HB LYS 16 1HB LYS 16 2.491 -13.242 -4.633 116 2HB LYS 16 2HB LYS 16 1.995 -11.744 -3.896 117 1HG LYS 16 1HG LYS 16 -0.152 -11.879 -5.413 118 2HG LYS 16 2HG LYS 16 0.416 -13.461 -5.933 119 1HD LYS 16 1HD LYS 16 -1.278 -13.702 -4.130 120 2HD LYS 16 2HD LYS 16 0.287 -14.367 -3.668 121 1HE LYS 16 1HE LYS 16 -0.199 -11.519 -2.778 122 2HE LYS 16 2HE LYS 16 -1.128 -12.779 -1.942 123 1HZ LYS 16 1HZ LYS 16 1.175 -14.042 -1.796 124 2HZ LYS 16 2HZ LYS 16 1.880 -12.665 -2.303 125 3HZ LYS 16 3HZ LYS 16 1.110 -12.688 -0.851 126 H ASN 17 H ASN 17 2.037 -9.898 -7.927 127 HA ASN 17 HA ASN 17 1.964 -12.180 -9.957 128 1HB ASN 17 1HB ASN 17 -0.166 -10.782 -9.450 129 2HB ASN 17 2HB ASN 17 0.586 -9.460 -10.302 130 1HD2 ASN 17 1HD2 ASN 17 -1.597 -11.005 -12.754 131 2HD2 ASN 17 2HD2 ASN 17 -1.836 -10.275 -11.133 132 H ALA 18 H ALA 18 2.924 -8.664 -9.831 133 HA ALA 18 HA ALA 18 5.265 -7.971 -9.945 134 1HB ALA 18 1HB ALA 18 5.817 -10.349 -9.305 135 2HB ALA 18 2HB ALA 18 5.706 -10.829 -11.013 136 3HB ALA 18 3HB ALA 18 6.977 -9.706 -10.500 137 H ASP 19 H ASP 19 3.306 -7.508 -12.056 138 HA ASP 19 HA ASP 19 4.872 -7.006 -14.562 139 1HB ASP 19 1HB ASP 19 2.299 -5.852 -13.349 140 2HB ASP 19 2HB ASP 19 3.028 -5.103 -14.762 141 H GLY 20 H GLY 20 4.824 -5.638 -11.379 142 1HA GLY 20 1HA GLY 20 7.065 -3.986 -11.070 143 2HA GLY 20 2HA GLY 20 6.125 -3.047 -12.239 144 H TYR 21 H TYR 21 3.532 -3.592 -11.179 145 HA TYR 21 HA TYR 21 3.601 -1.651 -8.784 146 1HB TYR 21 1HB TYR 21 2.030 -0.187 -9.896 147 2HB TYR 21 2HB TYR 21 3.369 -0.454 -10.971 148 HD1 TYR 21 HD1 TYR 21 1.791 -3.476 -11.393 149 HD2 TYR 21 HD2 TYR 21 1.103 0.684 -12.239 150 HE1 TYR 21 HE1 TYR 21 0.290 -4.091 -13.245 151 HE2 TYR 21 HE2 TYR 21 -0.400 0.038 -14.092 152 HH TYR 21 HH TYR 21 -1.889 -2.521 -14.448 153 H ILE 22 H ILE 22 1.285 -1.204 -7.970 154 HA ILE 22 HA ILE 22 0.239 -3.967 -7.133 155 HB ILE 22 HB ILE 22 0.270 -1.470 -5.360 156 1HG1 ILE 22 1HG1 ILE 22 2.298 -3.806 -5.254 157 2HG1 ILE 22 2HG1 ILE 22 2.657 -2.207 -5.846 158 1HG2 ILE 22 1HG2 ILE 22 -1.444 -3.216 -4.689 159 2HG2 ILE 22 2HG2 ILE 22 -0.179 -4.458 -4.620 160 3HG2 ILE 22 3HG2 ILE 22 -0.187 -3.098 -3.469 161 1HD1 ILE 22 1HD1 ILE 22 2.124 -1.186 -3.574 162 2HD1 ILE 22 2HD1 ILE 22 1.956 -2.836 -2.922 163 3HD1 ILE 22 3HD1 ILE 22 3.514 -2.301 -3.586 164 H ASP 23 H ASP 23 -1.985 -4.149 -6.591 165 HA ASP 23 HA ASP 23 -3.831 -2.080 -7.876 166 1HB ASP 23 1HB ASP 23 -5.088 -3.980 -9.035 167 2HB ASP 23 2HB ASP 23 -3.476 -3.669 -9.664 168 H ILE 24 H ILE 24 -6.206 -2.673 -7.440 169 HA ILE 24 HA ILE 24 -6.510 -2.444 -4.449 170 HB ILE 24 HB ILE 24 -7.889 -1.255 -6.475 171 1HG1 ILE 24 1HG1 ILE 24 -7.952 -0.815 -3.850 172 2HG1 ILE 24 2HG1 ILE 24 -9.233 -0.216 -4.868 173 1HG2 ILE 24 1HG2 ILE 24 -9.099 -3.360 -7.215 174 2HG2 ILE 24 2HG2 ILE 24 -9.782 -3.555 -5.589 175 3HG2 ILE 24 3HG2 ILE 24 -10.246 -2.175 -6.616 176 1HD1 ILE 24 1HD1 ILE 24 -10.695 -2.221 -4.296 177 2HD1 ILE 24 2HD1 ILE 24 -9.474 -2.715 -3.098 178 3HD1 ILE 24 3HD1 ILE 24 -10.312 -1.160 -2.915 179 H GLU 25 H GLU 25 -6.825 -4.932 -6.860 180 HA GLU 25 HA GLU 25 -8.198 -6.917 -5.079 181 1HB GLU 25 1HB GLU 25 -8.027 -6.699 -7.778 182 2HB GLU 25 2HB GLU 25 -6.736 -7.838 -7.545 183 1HG GLU 25 1HG GLU 25 -8.726 -9.128 -6.072 184 2HG GLU 25 2HG GLU 25 -9.732 -8.251 -7.209 185 H GLU 26 H GLU 26 -4.871 -6.134 -5.853 186 HA GLU 26 HA GLU 26 -3.639 -8.515 -4.509 187 1HB GLU 26 1HB GLU 26 -2.454 -5.961 -5.658 188 2HB GLU 26 2HB GLU 26 -1.479 -7.073 -4.745 189 1HG GLU 26 1HG GLU 26 -2.140 -8.926 -6.492 190 2HG GLU 26 2HG GLU 26 -2.877 -7.654 -7.450 191 H LEU 27 H LEU 27 -4.682 -5.365 -3.479 192 HA LEU 27 HA LEU 27 -3.031 -4.942 -1.149 193 1HB LEU 27 1HB LEU 27 -4.383 -3.192 -2.225 194 2HB LEU 27 2HB LEU 27 -5.876 -3.960 -1.751 195 HG LEU 27 HG LEU 27 -5.356 -1.949 -0.355 196 1HD1 LEU 27 1HD1 LEU 27 -6.805 -3.762 0.564 197 2HD1 LEU 27 2HD1 LEU 27 -5.387 -4.583 1.277 198 3HD1 LEU 27 3HD1 LEU 27 -5.890 -2.963 1.841 199 1HD2 LEU 27 1HD2 LEU 27 -2.974 -3.602 0.774 200 2HD2 LEU 27 2HD2 LEU 27 -2.849 -2.119 -0.219 201 3HD2 LEU 27 3HD2 LEU 27 -3.567 -2.036 1.394 202 H GLY 28 H GLY 28 -6.331 -6.334 -1.126 203 1HA GLY 28 1HA GLY 28 -6.617 -6.896 1.760 204 2HA GLY 28 2HA GLY 28 -7.472 -7.745 0.466 205 H GLU 29 H GLU 29 -5.276 -8.890 -0.884 206 HA GLU 29 HA GLU 29 -4.788 -11.246 0.824 207 1HB GLU 29 1HB GLU 29 -4.459 -10.569 -2.051 208 2HB GLU 29 2HB GLU 29 -3.307 -11.738 -1.481 209 1HG GLU 29 1HG GLU 29 -5.128 -13.325 -0.823 210 2HG GLU 29 2HG GLU 29 -6.366 -12.118 -1.117 211 H ILE 30 H ILE 30 -2.780 -8.525 0.045 212 HA ILE 30 HA ILE 30 -0.292 -9.394 1.464 213 HB ILE 30 HB ILE 30 -1.530 -6.638 0.995 214 1HG1 ILE 30 1HG1 ILE 30 0.208 -6.196 -0.584 215 2HG1 ILE 30 2HG1 ILE 30 1.264 -7.428 0.050 216 1HG2 ILE 30 1HG2 ILE 30 -0.342 -6.539 3.217 217 2HG2 ILE 30 2HG2 ILE 30 1.135 -7.211 2.478 218 3HG2 ILE 30 3HG2 ILE 30 0.529 -5.597 2.011 219 1HD1 ILE 30 1HD1 ILE 30 -1.242 -8.120 -1.624 220 2HD1 ILE 30 2HD1 ILE 30 0.451 -8.124 -2.160 221 3HD1 ILE 30 3HD1 ILE 30 -0.082 -9.277 -0.921 222 H LEU 31 H LEU 31 -3.184 -7.566 2.611 223 HA LEU 31 HA LEU 31 -2.150 -7.482 5.431 224 1HB LEU 31 1HB LEU 31 -4.039 -6.130 5.958 225 2HB LEU 31 2HB LEU 31 -3.439 -5.586 4.411 226 HG LEU 31 HG LEU 31 -5.339 -7.139 3.364 227 1HD1 LEU 31 1HD1 LEU 31 -6.377 -6.767 6.255 228 2HD1 LEU 31 2HD1 LEU 31 -7.358 -7.309 4.867 229 3HD1 LEU 31 3HD1 LEU 31 -6.005 -8.301 5.419 230 1HD2 LEU 31 1HD2 LEU 31 -5.989 -4.477 4.821 231 2HD2 LEU 31 2HD2 LEU 31 -5.434 -4.665 3.134 232 3HD2 LEU 31 3HD2 LEU 31 -7.034 -5.252 3.602 233 H ARG 32 H ARG 32 -4.378 -9.548 3.679 234 HA ARG 32 HA ARG 32 -4.701 -11.275 6.205 235 1HB ARG 32 1HB ARG 32 -6.560 -9.806 4.733 236 2HB ARG 32 2HB ARG 32 -6.761 -11.400 4.008 237 1HG ARG 32 1HG ARG 32 -6.794 -10.959 7.073 238 2HG ARG 32 2HG ARG 32 -8.235 -10.684 6.076 239 1HD ARG 32 1HD ARG 32 -7.724 -13.152 5.111 240 2HD ARG 32 2HD ARG 32 -6.751 -13.338 6.588 241 HE ARG 32 HE ARG 32 -9.590 -12.285 6.943 242 1HH1 ARG 32 2HH1 ARG 32 -7.424 -14.974 7.331 243 2HH1 ARG 32 1HH1 ARG 32 -8.550 -15.806 8.506 244 1HH2 ARG 32 1HH2 ARG 32 -10.850 -13.272 8.235 245 2HH2 ARG 32 2HH2 ARG 32 -10.403 -14.887 8.954 246 H ALA 33 H ALA 33 -2.756 -11.351 3.647 247 HA ALA 33 HA ALA 33 -2.644 -13.900 2.543 248 1HB ALA 33 1HB ALA 33 -0.867 -12.168 2.341 249 2HB ALA 33 2HB ALA 33 -0.331 -12.473 4.016 250 3HB ALA 33 3HB ALA 33 -0.156 -13.732 2.774 251 H THR 34 H THR 34 -0.535 -13.831 5.339 252 HA THR 34 HA THR 34 -1.201 -16.667 5.983 253 HB THR 34 HB THR 34 0.841 -16.800 7.099 254 HG1 THR 34 HG1 THR 34 1.770 -14.408 7.466 255 1HG2 THR 34 2HG2 THR 34 1.162 -15.972 4.675 256 2HG2 THR 34 3HG2 THR 34 1.321 -14.313 5.308 257 3HG2 THR 34 1HG2 THR 34 2.519 -15.543 5.748 258 H GLY 35 H GLY 35 -2.475 -17.407 7.640 259 1HA GLY 35 1HA GLY 35 -3.206 -15.623 9.987 260 2HA GLY 35 2HA GLY 35 -3.917 -17.201 9.628 261 1HN NH2 36 1HN NH2 36 -3.741 -18.277 11.581 262 2HN NH2 36 2HN NH2 36 -2.189 -18.621 12.391 263 1H ACE 37 1HH3 ACE 37 -13.022 -5.832 14.755 264 2H ACE 37 2HH3 ACE 37 -14.220 -5.395 13.489 265 3H ACE 37 3HH3 ACE 37 -13.724 -7.094 13.707 266 H VAL 38 H VAL 38 -11.964 -3.972 13.285 267 HA VAL 38 HA VAL 38 -10.907 -3.170 11.194 268 HB VAL 38 HB VAL 38 -9.026 -3.660 12.495 269 1HG1 VAL 38 1HG1 VAL 38 -9.488 -6.701 12.054 270 2HG1 VAL 38 2HG1 VAL 38 -8.055 -6.013 12.853 271 3HG1 VAL 38 3HG1 VAL 38 -9.652 -5.816 13.582 272 1HG2 VAL 38 1HG2 VAL 38 -8.372 -3.607 10.048 273 2HG2 VAL 38 2HG2 VAL 38 -7.303 -4.694 10.961 274 3HG2 VAL 38 3HG2 VAL 38 -8.601 -5.367 9.943 275 H THR 39 H THR 39 -12.261 -3.464 9.418 276 HA THR 39 HA THR 39 -12.520 -6.265 8.204 277 HB THR 39 HB THR 39 -14.872 -6.078 7.831 278 HG1 THR 39 HG1 THR 39 -14.754 -3.472 8.962 279 1HG2 THR 39 2HG2 THR 39 -14.293 -4.998 10.679 280 2HG2 THR 39 3HG2 THR 39 -15.806 -5.779 10.161 281 3HG2 THR 39 1HG2 THR 39 -14.293 -6.709 10.192 282 H GLU 40 H GLU 40 -14.061 -5.535 6.010 283 HA GLU 40 HA GLU 40 -11.852 -4.579 4.271 284 1HB GLU 40 1HB GLU 40 -13.317 -5.239 2.369 285 2HB GLU 40 2HB GLU 40 -12.935 -6.503 3.498 286 1HG GLU 40 1HG GLU 40 -15.186 -7.028 3.379 287 2HG GLU 40 2HG GLU 40 -15.448 -5.696 4.490 288 H GLU 41 H GLU 41 -14.941 -3.106 5.203 289 HA GLU 41 HA GLU 41 -14.759 -0.746 3.576 290 1HB GLU 41 1HB GLU 41 -16.635 -0.110 4.568 291 2HB GLU 41 2HB GLU 41 -16.615 -1.698 5.272 292 1HG GLU 41 1HG GLU 41 -15.283 -0.380 7.302 293 2HG GLU 41 2HG GLU 41 -16.134 0.999 6.630 294 H ASP 42 H ASP 42 -12.959 -1.336 6.580 295 HA ASP 42 HA ASP 42 -11.569 1.213 6.627 296 1HB ASP 42 1HB ASP 42 -10.826 -1.597 7.625 297 2HB ASP 42 2HB ASP 42 -9.741 -0.235 7.865 298 H ILE 43 H ILE 43 -10.728 -1.729 4.826 299 HA ILE 43 HA ILE 43 -8.296 -0.753 3.430 300 HB ILE 43 HB ILE 43 -10.374 -2.844 2.626 301 1HG1 ILE 43 1HG1 ILE 43 -7.682 -3.935 2.719 302 2HG1 ILE 43 2HG1 ILE 43 -7.864 -2.976 4.162 303 1HG2 ILE 43 1HG2 ILE 43 -9.506 -1.853 0.472 304 2HG2 ILE 43 2HG2 ILE 43 -7.830 -2.088 1.008 305 3HG2 ILE 43 3HG2 ILE 43 -8.882 -3.485 0.668 306 1HD1 ILE 43 1HD1 ILE 43 -9.975 -4.212 4.812 307 2HD1 ILE 43 2HD1 ILE 43 -9.734 -5.311 3.428 308 3HD1 ILE 43 3HD1 ILE 43 -8.527 -5.241 4.730 309 H GLU 44 H GLU 44 -11.783 -0.454 2.627 310 HA GLU 44 HA GLU 44 -11.270 0.750 -0.068 311 1HB GLU 44 1HB GLU 44 -13.653 -0.181 1.448 312 2HB GLU 44 2HB GLU 44 -13.966 1.202 0.443 313 1HG GLU 44 1HG GLU 44 -12.546 -0.613 -1.298 314 2HG GLU 44 2HG GLU 44 -13.599 -1.648 -0.351 315 H ASP 45 H ASP 45 -12.004 1.989 3.131 316 HA ASP 45 HA ASP 45 -12.217 4.890 2.382 317 1HB ASP 45 1HB ASP 45 -11.842 3.385 5.037 318 2HB ASP 45 2HB ASP 45 -11.772 5.140 4.960 319 H LEU 46 H LEU 46 -9.615 2.695 3.327 320 HA LEU 46 HA LEU 46 -7.425 4.704 3.484 321 1HB LEU 46 1HB LEU 46 -7.404 2.443 4.546 322 2HB LEU 46 2HB LEU 46 -7.318 1.669 2.981 323 HG LEU 46 HG LEU 46 -5.107 1.821 4.322 324 1HD1 LEU 46 1HD1 LEU 46 -5.478 1.538 1.650 325 2HD1 LEU 46 2HD1 LEU 46 -4.652 3.122 1.627 326 3HD1 LEU 46 3HD1 LEU 46 -3.847 1.727 2.359 327 1HD2 LEU 46 1HD2 LEU 46 -5.547 4.444 4.765 328 2HD2 LEU 46 2HD2 LEU 46 -3.913 3.802 4.587 329 3HD2 LEU 46 3HD2 LEU 46 -4.688 4.636 3.208 330 H MET 47 H MET 47 -8.246 2.494 0.810 331 HA MET 47 HA MET 47 -6.199 3.634 -0.988 332 1HB MET 47 1HB MET 47 -7.882 1.291 -0.915 333 2HB MET 47 2HB MET 47 -8.203 2.084 -2.448 334 1HG MET 47 1HG MET 47 -5.264 1.953 -1.891 335 2HG MET 47 2HG MET 47 -6.043 0.362 -1.972 336 1HE MET 47 1HE MET 47 -3.894 0.906 -3.895 337 2HE MET 47 2HE MET 47 -4.962 -0.513 -4.095 338 3HE MET 47 3HE MET 47 -4.589 0.517 -5.507 339 H LYS 48 H LYS 48 -9.640 4.320 -0.577 340 HA LYS 48 HA LYS 48 -9.836 6.143 -2.934 341 1HB LYS 48 1HB LYS 48 -11.582 5.547 -0.502 342 2HB LYS 48 2HB LYS 48 -12.047 6.825 -1.582 343 1HG LYS 48 1HG LYS 48 -12.524 3.937 -1.813 344 2HG LYS 48 2HG LYS 48 -13.173 5.215 -2.791 345 1HD LYS 48 1HD LYS 48 -12.144 3.948 -4.436 346 2HD LYS 48 2HD LYS 48 -10.953 5.187 -4.221 347 1HE LYS 48 1HE LYS 48 -9.808 2.980 -4.382 348 2HE LYS 48 2HE LYS 48 -9.582 3.581 -2.749 349 1HZ LYS 48 1HZ LYS 48 -11.907 2.216 -2.388 350 2HZ LYS 48 2HZ LYS 48 -11.359 1.305 -3.562 351 3HZ LYS 48 3HZ LYS 48 -10.468 1.476 -2.176 352 H ASP 49 H ASP 49 -9.026 6.541 0.466 353 HA ASP 49 HA ASP 49 -9.086 9.563 0.465 354 1HB ASP 49 1HB ASP 49 -9.525 8.082 2.535 355 2HB ASP 49 2HB ASP 49 -7.805 7.721 2.580 356 H SER 50 H SER 50 -6.617 7.046 0.132 357 HA SER 50 HA SER 50 -4.251 8.876 -0.126 358 1HB SER 50 1HB SER 50 -3.893 6.552 0.614 359 2HB SER 50 2HB SER 50 -4.692 5.893 -0.810 360 HG SER 50 HG SER 50 -2.262 6.075 -0.687 361 H ASP 51 H ASP 51 -5.972 6.803 -2.509 362 HA ASP 51 HA ASP 51 -4.765 7.886 -4.915 363 1HB ASP 51 1HB ASP 51 -6.182 5.701 -4.501 364 2HB ASP 51 2HB ASP 51 -7.598 6.690 -4.832 365 H LYS 52 H LYS 52 -5.797 9.132 -6.663 366 HA LYS 52 HA LYS 52 -7.000 11.707 -5.519 367 1HB LYS 52 1HB LYS 52 -5.335 11.317 -8.063 368 2HB LYS 52 2HB LYS 52 -5.933 12.854 -7.521 369 1HG LYS 52 1HG LYS 52 -3.598 11.163 -6.461 370 2HG LYS 52 2HG LYS 52 -3.634 12.854 -6.849 371 1HD LYS 52 1HD LYS 52 -5.454 12.284 -4.573 372 2HD LYS 52 2HD LYS 52 -3.846 11.767 -4.188 373 1HE LYS 52 1HE LYS 52 -3.466 13.990 -3.556 374 2HE LYS 52 2HE LYS 52 -3.358 14.349 -5.278 375 1HZ LYS 52 1HZ LYS 52 -6.136 14.281 -4.072 376 2HZ LYS 52 2HZ LYS 52 -5.194 15.593 -3.837 377 3HZ LYS 52 3HZ LYS 52 -5.584 15.214 -5.325 378 H ASN 53 H ASN 53 -7.333 12.131 -8.695 379 HA ASN 53 HA ASN 53 -10.148 11.515 -8.901 380 1HB ASN 53 1HB ASN 53 -9.913 12.221 -11.306 381 2HB ASN 53 2HB ASN 53 -9.084 13.306 -10.224 382 1HD2 ASN 53 1HD2 ASN 53 -6.888 11.240 -12.955 383 2HD2 ASN 53 2HD2 ASN 53 -8.609 10.756 -12.611 384 H ASN 54 H ASN 54 -7.815 9.175 -8.913 385 HA ASN 54 HA ASN 54 -8.135 6.794 -9.014 386 1HB ASN 54 1HB ASN 54 -11.015 7.831 -9.387 387 2HB ASN 54 2HB ASN 54 -10.683 6.123 -9.492 388 1HD2 ASN 54 1HD2 ASN 54 -9.531 7.166 -5.796 389 2HD2 ASN 54 2HD2 ASN 54 -8.562 7.625 -7.266 390 H ASP 55 H ASP 55 -6.730 7.091 -11.011 391 HA ASP 55 HA ASP 55 -7.927 6.309 -13.593 392 1HB ASP 55 1HB ASP 55 -4.973 6.032 -12.753 393 2HB ASP 55 2HB ASP 55 -5.602 6.193 -14.387 394 H GLY 56 H GLY 56 -6.381 4.396 -11.033 395 1HA GLY 56 1HA GLY 56 -8.096 2.435 -10.579 396 2HA GLY 56 2HA GLY 56 -7.642 1.860 -12.191 397 H ARG 57 H ARG 57 -4.974 3.105 -10.452 398 HA ARG 57 HA ARG 57 -4.126 0.446 -9.323 399 1HB ARG 57 1HB ARG 57 -1.957 0.414 -10.656 400 2HB ARG 57 2HB ARG 57 -3.413 0.029 -11.571 401 1HG ARG 57 1HG ARG 57 -2.601 2.964 -11.560 402 2HG ARG 57 2HG ARG 57 -1.466 1.876 -12.357 403 1HD ARG 57 1HD ARG 57 -3.926 0.992 -13.437 404 2HD ARG 57 2HD ARG 57 -4.249 2.705 -13.172 405 HE ARG 57 HE ARG 57 -1.645 2.855 -14.271 406 1HH1 ARG 57 2HH1 ARG 57 -4.607 1.533 -15.484 407 2HH1 ARG 57 1HH1 ARG 57 -3.980 1.585 -17.214 408 1HH2 ARG 57 1HH2 ARG 57 -1.070 3.058 -16.164 409 2HH2 ARG 57 2HH2 ARG 57 -2.110 2.549 -17.584 410 H ILE 58 H ILE 58 -2.319 0.573 -7.826 411 HA ILE 58 HA ILE 58 -0.941 3.276 -7.519 412 HB ILE 58 HB ILE 58 -1.113 0.863 -5.650 413 1HG1 ILE 58 1HG1 ILE 58 -2.124 3.772 -5.353 414 2HG1 ILE 58 2HG1 ILE 58 -3.116 2.365 -5.615 415 1HG2 ILE 58 1HG2 ILE 58 1.221 1.824 -5.439 416 2HG2 ILE 58 2HG2 ILE 58 0.549 3.443 -5.160 417 3HG2 ILE 58 3HG2 ILE 58 0.291 2.138 -3.978 418 1HD1 ILE 58 1HD1 ILE 58 -2.433 1.373 -3.383 419 2HD1 ILE 58 2HD1 ILE 58 -1.519 2.862 -3.030 420 3HD1 ILE 58 3HD1 ILE 58 -3.281 2.934 -3.253 421 H ASP 59 H ASP 59 0.991 3.534 -8.577 422 HA ASP 59 HA ASP 59 2.957 1.190 -8.604 423 1HB ASP 59 1HB ASP 59 3.963 2.291 -10.600 424 2HB ASP 59 2HB ASP 59 2.248 1.982 -10.832 425 H PHE 60 H PHE 60 5.357 2.235 -8.910 426 HA PHE 60 HA PHE 60 5.971 2.156 -6.090 427 1HB PHE 60 1HB PHE 60 7.436 1.402 -8.090 428 2HB PHE 60 2HB PHE 60 7.932 3.050 -8.287 429 HD1 PHE 60 HD1 PHE 60 7.463 2.168 -4.790 430 HD2 PHE 60 HD2 PHE 60 10.334 2.150 -7.985 431 HE1 PHE 60 HE1 PHE 60 9.262 1.773 -3.168 432 HE2 PHE 60 HE2 PHE 60 12.142 1.772 -6.345 433 HZ PHE 60 HZ PHE 60 11.607 1.576 -3.933 434 H ASP 61 H ASP 61 5.868 4.977 -8.207 435 HA ASP 61 HA ASP 61 6.653 7.148 -6.421 436 1HB ASP 61 1HB ASP 61 4.190 7.385 -8.333 437 2HB ASP 61 2HB ASP 61 5.579 8.414 -8.088 438 H GLU 62 H GLU 62 3.302 6.302 -7.084 439 HA GLU 62 HA GLU 62 1.922 7.374 -4.784 440 1HB GLU 62 1HB GLU 62 1.124 4.718 -6.029 441 2HB GLU 62 2HB GLU 62 0.101 5.879 -5.239 442 1HG GLU 62 1HG GLU 62 0.929 7.492 -7.316 443 2HG GLU 62 2HG GLU 62 1.221 5.946 -8.089 444 H PHE 63 H PHE 63 4.081 4.594 -4.739 445 HA PHE 63 HA PHE 63 3.227 3.463 -2.085 446 1HB PHE 63 1HB PHE 63 4.643 2.287 -3.943 447 2HB PHE 63 2HB PHE 63 5.990 3.240 -3.411 448 HD1 PHE 63 HD1 PHE 63 3.439 0.964 -1.697 449 HD2 PHE 63 HD2 PHE 63 7.564 2.116 -2.118 450 HE1 PHE 63 HE1 PHE 63 4.085 -0.650 0.042 451 HE2 PHE 63 HE2 PHE 63 8.184 0.507 -0.395 452 HZ PHE 63 HZ PHE 63 6.450 -0.851 0.734 453 H LEU 64 H LEU 64 5.970 5.520 -3.104 454 HA LEU 64 HA LEU 64 6.983 6.219 -0.497 455 1HB LEU 64 1HB LEU 64 7.097 7.764 -3.137 456 2HB LEU 64 2HB LEU 64 7.942 8.321 -1.713 457 HG LEU 64 HG LEU 64 8.453 5.488 -2.763 458 1HD1 LEU 64 1HD1 LEU 64 9.706 8.101 -3.856 459 2HD1 LEU 64 2HD1 LEU 64 10.342 6.461 -4.158 460 3HD1 LEU 64 3HD1 LEU 64 8.731 6.893 -4.738 461 1HD2 LEU 64 1HD2 LEU 64 10.215 7.517 -1.200 462 2HD2 LEU 64 2HD2 LEU 64 9.519 5.994 -0.573 463 3HD2 LEU 64 3HD2 LEU 64 10.778 5.942 -1.815 464 H LYS 65 H LYS 65 4.315 7.817 -2.223 465 HA LYS 65 HA LYS 65 3.730 9.725 0.012 466 1HB LYS 65 1HB LYS 65 2.509 8.792 -2.621 467 2HB LYS 65 2HB LYS 65 1.535 9.814 -1.581 468 1HG LYS 65 1HG LYS 65 4.356 10.619 -2.592 469 2HG LYS 65 2HG LYS 65 2.888 10.884 -3.550 470 1HD LYS 65 1HD LYS 65 2.821 11.775 -0.656 471 2HD LYS 65 2HD LYS 65 3.821 12.755 -1.732 472 1HE LYS 65 1HE LYS 65 1.845 13.479 -2.996 473 2HE LYS 65 2HE LYS 65 0.885 12.101 -2.427 474 1HZ LYS 65 1HZ LYS 65 1.935 13.974 -0.298 475 2HZ LYS 65 2HZ LYS 65 0.672 14.481 -1.195 476 3HZ LYS 65 3HZ LYS 65 0.513 13.140 -0.323 477 H MET 66 H MET 66 1.819 6.921 -1.205 478 HA MET 66 HA MET 66 -0.013 6.380 0.725 479 1HB MET 66 1HB MET 66 0.159 4.790 -1.031 480 2HB MET 66 2HB MET 66 1.845 4.443 -0.709 481 1HG MET 66 1HG MET 66 0.295 3.637 1.659 482 2HG MET 66 2HG MET 66 -0.399 2.898 0.203 483 1HE MET 66 1HE MET 66 1.516 2.183 -1.842 484 2HE MET 66 2HE MET 66 2.228 0.645 -1.269 485 3HE MET 66 3HE MET 66 0.486 0.972 -1.016 486 H MET 67 H MET 67 3.368 5.293 1.306 487 HA MET 67 HA MET 67 2.836 4.854 4.242 488 1HB MET 67 1HB MET 67 4.275 3.243 3.002 489 2HB MET 67 2HB MET 67 5.363 4.527 2.513 490 1HG MET 67 1HG MET 67 6.032 4.940 4.924 491 2HG MET 67 2HG MET 67 4.989 3.599 5.436 492 1HE MET 67 1HE MET 67 5.108 1.497 5.120 493 2HE MET 67 2HE MET 67 5.985 0.603 3.842 494 3HE MET 67 3HE MET 67 6.709 0.778 5.473 495 H GLU 68 H GLU 68 4.721 7.218 2.290 496 HA GLU 68 HA GLU 68 5.537 8.666 4.814 497 1HB GLU 68 1HB GLU 68 7.286 6.844 3.883 498 2HB GLU 68 2HB GLU 68 7.788 8.160 2.866 499 1HG GLU 68 1HG GLU 68 9.105 7.841 5.090 500 2HG GLU 68 2HG GLU 68 8.594 9.485 4.750 501 H GLY 69 H GLY 69 3.680 9.345 2.770 502 1HA GLY 69 1HA GLY 69 4.621 11.819 1.310 503 2HA GLY 69 2HA GLY 69 2.938 11.384 1.636 504 H VAL 70 H VAL 70 3.564 13.920 1.865 505 HA VAL 70 HA VAL 70 4.778 14.696 4.485 506 HB VAL 70 HB VAL 70 5.417 15.924 2.480 507 1HG1 VAL 70 1HG1 VAL 70 2.477 16.901 2.274 508 2HG1 VAL 70 2HG1 VAL 70 3.838 17.547 1.321 509 3HG1 VAL 70 3HG1 VAL 70 3.330 15.872 1.097 510 1HG2 VAL 70 1HG2 VAL 70 5.472 17.226 4.647 511 2HG2 VAL 70 2HG2 VAL 70 5.157 18.286 3.282 512 3HG2 VAL 70 3HG2 VAL 70 3.818 17.812 4.368 513 H GLN 71 H GLN 71 3.740 16.350 5.882 514 HA GLN 71 HA GLN 71 0.749 16.421 6.004 515 1HB GLN 71 1HB GLN 71 1.128 14.256 7.048 516 2HB GLN 71 2HB GLN 71 2.329 14.914 8.157 517 1HG GLN 71 1HG GLN 71 0.230 14.618 9.389 518 2HG GLN 71 2HG GLN 71 0.473 16.349 9.246 519 1HE2 GLN 71 1HE2 GLN 71 -3.083 15.579 8.472 520 2HE2 GLN 71 2HE2 GLN 71 -1.924 15.255 9.875 521 1HN NH2 72 1HN NH2 72 2.703 16.846 9.002 522 2HN NH2 72 2HN NH2 72 2.657 18.630 9.018 No H/Q in entry = 522 Start of MODEL 21 1 1H ACE 1 1HH3 ACE 1 22.990 9.584 -0.310 2 2H ACE 1 2HH3 ACE 1 22.276 11.095 0.359 3 3H ACE 1 3HH3 ACE 1 22.379 9.619 1.359 4 H LYS 2 H LYS 2 20.902 10.801 -1.671 5 HA LYS 2 HA LYS 2 18.330 9.463 -1.036 6 1HB LYS 2 1HB LYS 2 18.912 10.804 -3.707 7 2HB LYS 2 2HB LYS 2 17.367 10.689 -2.893 8 1HG LYS 2 1HG LYS 2 17.789 12.888 -2.174 9 2HG LYS 2 2HG LYS 2 18.930 12.199 -1.048 10 1HD LYS 2 1HD LYS 2 20.783 12.441 -2.814 11 2HD LYS 2 2HD LYS 2 19.620 13.187 -3.912 12 1HE LYS 2 1HE LYS 2 19.137 14.737 -1.673 13 2HE LYS 2 2HE LYS 2 20.844 14.367 -1.367 14 1HZ LYS 2 1HZ LYS 2 19.998 15.189 -4.141 15 2HZ LYS 2 2HZ LYS 2 20.109 16.365 -3.114 16 3HZ LYS 2 3HZ LYS 2 21.454 15.466 -3.496 17 H SER 3 H SER 3 18.926 7.239 -1.064 18 HA SER 3 HA SER 3 19.093 5.980 -3.848 19 1HB SER 3 1HB SER 3 20.776 5.743 -1.707 20 2HB SER 3 2HB SER 3 19.738 4.382 -1.356 21 HG SER 3 HG SER 3 20.140 4.198 -3.938 22 H GLU 4 H GLU 4 18.063 3.827 -4.092 23 HA GLU 4 HA GLU 4 15.437 3.484 -2.667 24 1HB GLU 4 1HB GLU 4 15.393 4.063 -5.645 25 2HB GLU 4 2HB GLU 4 14.129 3.244 -4.760 26 1HG GLU 4 1HG GLU 4 13.463 5.602 -5.095 27 2HG GLU 4 2HG GLU 4 13.745 5.380 -3.372 28 H GLU 5 H GLU 5 18.060 2.074 -3.123 29 HA GLU 5 HA GLU 5 17.731 -0.383 -4.469 30 1HB GLU 5 1HB GLU 5 19.862 -0.199 -3.834 31 2HB GLU 5 2HB GLU 5 19.508 0.620 -2.343 32 1HG GLU 5 1HG GLU 5 18.824 -1.819 -1.423 33 2HG GLU 5 2HG GLU 5 19.692 -2.420 -2.824 34 H GLU 6 H GLU 6 16.958 -0.032 -0.998 35 HA GLU 6 HA GLU 6 15.878 -2.813 -0.925 36 1HB GLU 6 1HB GLU 6 16.821 -0.820 1.089 37 2HB GLU 6 2HB GLU 6 15.605 -1.917 1.669 38 1HG GLU 6 1HG GLU 6 17.939 -3.244 0.231 39 2HG GLU 6 2HG GLU 6 18.338 -2.442 1.739 40 H LEU 7 H LEU 7 14.393 0.376 -0.764 41 HA LEU 7 HA LEU 7 11.612 -0.644 -0.381 42 1HB LEU 7 1HB LEU 7 12.689 2.038 -1.407 43 2HB LEU 7 2HB LEU 7 10.985 1.714 -1.207 44 HG LEU 7 HG LEU 7 12.617 1.186 1.266 45 1HD1 LEU 7 1HD1 LEU 7 13.840 3.161 0.373 46 2HD1 LEU 7 2HD1 LEU 7 12.318 4.068 0.176 47 3HD1 LEU 7 3HD1 LEU 7 12.898 3.617 1.800 48 1HD2 LEU 7 1HD2 LEU 7 10.008 2.791 0.733 49 2HD2 LEU 7 2HD2 LEU 7 10.129 1.139 1.398 50 3HD2 LEU 7 3HD2 LEU 7 10.728 2.507 2.339 51 H ALA 8 H ALA 8 13.583 -0.008 -3.290 52 HA ALA 8 HA ALA 8 11.583 -0.920 -5.210 53 1HB ALA 8 1HB ALA 8 14.675 -0.906 -5.332 54 2HB ALA 8 2HB ALA 8 13.599 -1.126 -6.726 55 3HB ALA 8 3HB ALA 8 13.578 0.401 -5.835 56 H ASN 9 H ASN 9 14.363 -2.931 -3.971 57 HA ASN 9 HA ASN 9 13.297 -5.543 -4.381 58 1HB ASN 9 1HB ASN 9 14.657 -4.626 -1.754 59 2HB ASN 9 2HB ASN 9 14.606 -6.250 -2.383 60 1HD2 ASN 9 1HD2 ASN 9 17.904 -5.226 -3.419 61 2HD2 ASN 9 2HD2 ASN 9 16.970 -5.947 -2.033 62 H ALA 10 H ALA 10 12.318 -3.326 -1.774 63 HA ALA 10 HA ALA 10 10.413 -5.146 -0.468 64 1HB ALA 10 1HB ALA 10 11.597 -3.240 0.637 65 2HB ALA 10 2HB ALA 10 10.656 -2.063 -0.316 66 3HB ALA 10 3HB ALA 10 9.841 -3.112 0.864 67 H PHE 11 H PHE 11 9.634 -2.241 -2.463 68 HA PHE 11 HA PHE 11 6.830 -2.751 -2.879 69 1HB PHE 11 1HB PHE 11 7.956 -0.604 -3.371 70 2HB PHE 11 2HB PHE 11 8.861 -1.312 -4.666 71 HD1 PHE 11 HD1 PHE 11 7.747 -1.880 -6.901 72 HD2 PHE 11 HD2 PHE 11 5.555 0.030 -3.729 73 HE1 PHE 11 HE1 PHE 11 6.081 -1.068 -8.524 74 HE2 PHE 11 HE2 PHE 11 3.901 0.829 -5.366 75 HZ PHE 11 HZ PHE 11 4.169 0.305 -7.758 76 H ARG 12 H ARG 12 9.546 -3.966 -4.827 77 HA ARG 12 HA ARG 12 7.960 -5.543 -6.739 78 1HB ARG 12 1HB ARG 12 10.878 -5.659 -5.828 79 2HB ARG 12 2HB ARG 12 10.242 -6.893 -6.909 80 1HG ARG 12 1HG ARG 12 10.004 -3.867 -7.512 81 2HG ARG 12 2HG ARG 12 11.426 -4.803 -7.991 82 1HD ARG 12 1HD ARG 12 10.226 -6.104 -9.601 83 2HD ARG 12 2HD ARG 12 8.651 -5.828 -8.808 84 HE ARG 12 HE ARG 12 9.003 -3.279 -9.504 85 1HH1 ARG 12 2HH1 ARG 12 10.333 -5.865 -11.388 86 2HH1 ARG 12 1HH1 ARG 12 10.408 -4.836 -12.898 87 1HH2 ARG 12 1HH2 ARG 12 9.062 -2.156 -11.208 88 2HH2 ARG 12 2HH2 ARG 12 9.702 -2.821 -12.781 89 H ILE 13 H ILE 13 9.324 -6.415 -3.545 90 HA ILE 13 HA ILE 13 8.917 -9.356 -3.873 91 HB ILE 13 HB ILE 13 9.795 -7.600 -1.540 92 1HG1 ILE 13 1HG1 ILE 13 11.439 -8.427 -3.457 93 2HG1 ILE 13 2HG1 ILE 13 11.953 -8.468 -1.792 94 1HG2 ILE 13 1HG2 ILE 13 8.395 -9.413 -0.475 95 2HG2 ILE 13 2HG2 ILE 13 9.308 -10.666 -1.350 96 3HG2 ILE 13 3HG2 ILE 13 10.088 -9.677 -0.100 97 1HD1 ILE 13 1HD1 ILE 13 11.447 -10.925 -1.590 98 2HD1 ILE 13 2HD1 ILE 13 10.974 -10.963 -3.307 99 3HD1 ILE 13 3HD1 ILE 13 12.643 -10.565 -2.855 100 H PHE 14 H PHE 14 7.097 -6.712 -2.443 101 HA PHE 14 HA PHE 14 4.751 -8.187 -1.357 102 1HB PHE 14 1HB PHE 14 5.218 -5.363 -2.461 103 2HB PHE 14 2HB PHE 14 3.590 -5.915 -2.244 104 HD1 PHE 14 HD1 PHE 14 4.141 -7.613 0.378 105 HD2 PHE 14 HD2 PHE 14 5.165 -3.610 -0.794 106 HE1 PHE 14 HE1 PHE 14 4.149 -6.922 2.742 107 HE2 PHE 14 HE2 PHE 14 5.193 -2.929 1.573 108 HZ PHE 14 HZ PHE 14 4.654 -4.580 3.346 109 H ASP 15 H ASP 15 5.363 -6.780 -4.640 110 HA ASP 15 HA ASP 15 2.673 -7.234 -5.707 111 1HB ASP 15 1HB ASP 15 4.340 -5.604 -6.617 112 2HB ASP 15 2HB ASP 15 5.381 -6.914 -7.154 113 H LYS 16 H LYS 16 1.929 -8.784 -7.266 114 HA LYS 16 HA LYS 16 3.116 -11.545 -6.852 115 1HB LYS 16 1HB LYS 16 0.204 -10.766 -6.298 116 2HB LYS 16 2HB LYS 16 0.584 -12.396 -6.780 117 1HG LYS 16 1HG LYS 16 2.375 -11.760 -4.570 118 2HG LYS 16 2HG LYS 16 0.827 -11.034 -4.156 119 1HD LYS 16 1HD LYS 16 0.243 -13.083 -3.327 120 2HD LYS 16 2HD LYS 16 -0.041 -13.501 -5.015 121 1HE LYS 16 1HE LYS 16 2.515 -14.169 -3.452 122 2HE LYS 16 2HE LYS 16 1.288 -15.323 -4.012 123 1HZ LYS 16 1HZ LYS 16 2.721 -13.461 -5.949 124 2HZ LYS 16 2HZ LYS 16 3.328 -14.922 -5.566 125 3HZ LYS 16 3HZ LYS 16 1.891 -14.831 -6.358 126 H ASN 17 H ASN 17 3.110 -9.551 -9.076 127 HA ASN 17 HA ASN 17 2.886 -11.719 -11.165 128 1HB ASN 17 1HB ASN 17 0.726 -11.032 -11.535 129 2HB ASN 17 2HB ASN 17 0.982 -9.405 -10.964 130 1HD2 ASN 17 1HD2 ASN 17 1.288 -10.096 -14.937 131 2HD2 ASN 17 2HD2 ASN 17 1.754 -11.432 -13.833 132 H ALA 18 H ALA 18 3.932 -8.432 -10.372 133 HA ALA 18 HA ALA 18 6.180 -7.583 -10.602 134 1HB ALA 18 1HB ALA 18 6.768 -10.027 -10.392 135 2HB ALA 18 2HB ALA 18 6.600 -10.214 -12.152 136 3HB ALA 18 3HB ALA 18 7.882 -9.178 -11.499 137 H ASP 19 H ASP 19 4.141 -6.804 -12.537 138 HA ASP 19 HA ASP 19 5.995 -5.714 -14.715 139 1HB ASP 19 1HB ASP 19 3.363 -6.486 -14.951 140 2HB ASP 19 2HB ASP 19 3.110 -4.791 -14.558 141 H GLY 20 H GLY 20 5.850 -5.175 -11.632 142 1HA GLY 20 1HA GLY 20 6.704 -3.343 -10.298 143 2HA GLY 20 2HA GLY 20 6.836 -2.411 -11.794 144 H TYR 21 H TYR 21 3.605 -3.437 -11.225 145 HA TYR 21 HA TYR 21 2.871 -0.853 -9.745 146 1HB TYR 21 1HB TYR 21 1.119 -2.797 -11.381 147 2HB TYR 21 2HB TYR 21 0.481 -1.470 -10.454 148 HD1 TYR 21 HD1 TYR 21 3.685 -0.712 -12.127 149 HD2 TYR 21 HD2 TYR 21 -0.581 -0.826 -12.664 150 HE1 TYR 21 HE1 TYR 21 3.883 0.672 -14.166 151 HE2 TYR 21 HE2 TYR 21 -0.354 0.561 -14.686 152 HH TYR 21 HH TYR 21 2.676 2.081 -15.522 153 H ILE 22 H ILE 22 1.116 -0.968 -8.156 154 HA ILE 22 HA ILE 22 0.709 -3.657 -6.729 155 HB ILE 22 HB ILE 22 1.242 -0.940 -5.418 156 1HG1 ILE 22 1HG1 ILE 22 2.841 -3.573 -5.422 157 2HG1 ILE 22 2HG1 ILE 22 3.377 -1.993 -5.923 158 1HG2 ILE 22 1HG2 ILE 22 -0.601 -2.120 -4.138 159 2HG2 ILE 22 2HG2 ILE 22 0.405 -3.574 -3.992 160 3HG2 ILE 22 3HG2 ILE 22 0.865 -2.059 -3.174 161 1HD1 ILE 22 1HD1 ILE 22 3.241 -1.127 -3.531 162 2HD1 ILE 22 2HD1 ILE 22 2.892 -2.791 -2.996 163 3HD1 ILE 22 3HD1 ILE 22 4.437 -2.422 -3.791 164 H ASP 23 H ASP 23 -1.390 -4.225 -6.450 165 HA ASP 23 HA ASP 23 -3.443 -2.290 -7.641 166 1HB ASP 23 1HB ASP 23 -4.722 -4.582 -8.071 167 2HB ASP 23 2HB ASP 23 -3.408 -4.094 -9.132 168 H ILE 24 H ILE 24 -5.657 -2.494 -6.874 169 HA ILE 24 HA ILE 24 -6.063 -2.266 -3.936 170 HB ILE 24 HB ILE 24 -7.630 -1.440 -5.901 171 1HG1 ILE 24 1HG1 ILE 24 -8.990 -2.543 -3.352 172 2HG1 ILE 24 2HG1 ILE 24 -8.016 -1.098 -3.363 173 1HG2 ILE 24 1HG2 ILE 24 -8.210 -3.715 -6.865 174 2HG2 ILE 24 2HG2 ILE 24 -8.941 -4.197 -5.322 175 3HG2 ILE 24 3HG2 ILE 24 -9.661 -2.899 -6.308 176 1HD1 ILE 24 1HD1 ILE 24 -9.554 -0.012 -5.077 177 2HD1 ILE 24 2HD1 ILE 24 -10.658 -1.399 -4.902 178 3HD1 ILE 24 3HD1 ILE 24 -10.319 -0.357 -3.504 179 H GLU 25 H GLU 25 -5.925 -4.973 -6.137 180 HA GLU 25 HA GLU 25 -7.337 -6.909 -4.333 181 1HB GLU 25 1HB GLU 25 -6.268 -6.988 -7.127 182 2HB GLU 25 2HB GLU 25 -6.284 -8.514 -6.296 183 1HG GLU 25 1HG GLU 25 -8.809 -8.279 -5.914 184 2HG GLU 25 2HG GLU 25 -8.791 -6.735 -6.746 185 H GLU 26 H GLU 26 -4.080 -5.905 -4.728 186 HA GLU 26 HA GLU 26 -2.797 -8.121 -3.164 187 1HB GLU 26 1HB GLU 26 -0.804 -7.017 -3.325 188 2HB GLU 26 2HB GLU 26 -1.595 -6.551 -4.800 189 1HG GLU 26 1HG GLU 26 -0.991 -4.384 -4.291 190 2HG GLU 26 2HG GLU 26 -2.250 -4.377 -3.070 191 H LEU 27 H LEU 27 -4.103 -4.924 -2.370 192 HA LEU 27 HA LEU 27 -3.080 -4.391 0.237 193 1HB LEU 27 1HB LEU 27 -4.414 -2.799 -1.052 194 2HB LEU 27 2HB LEU 27 -5.848 -3.785 -0.938 195 HG LEU 27 HG LEU 27 -5.451 -3.399 1.757 196 1HD1 LEU 27 1HD1 LEU 27 -3.377 -2.048 1.427 197 2HD1 LEU 27 2HD1 LEU 27 -4.274 -0.841 0.462 198 3HD1 LEU 27 3HD1 LEU 27 -4.648 -1.097 2.191 199 1HD2 LEU 27 1HD2 LEU 27 -6.821 -1.319 -0.107 200 2HD2 LEU 27 2HD2 LEU 27 -7.572 -2.808 0.540 201 3HD2 LEU 27 3HD2 LEU 27 -7.095 -1.515 1.647 202 H GLY 28 H GLY 28 -6.425 -5.792 0.032 203 1HA GLY 28 1HA GLY 28 -6.769 -5.766 2.938 204 2HA GLY 28 2HA GLY 28 -7.725 -6.750 1.823 205 H GLU 29 H GLU 29 -5.795 -8.489 0.823 206 HA GLU 29 HA GLU 29 -5.515 -10.410 3.045 207 1HB GLU 29 1HB GLU 29 -4.919 -12.050 1.445 208 2HB GLU 29 2HB GLU 29 -6.216 -11.095 0.796 209 1HG GLU 29 1HG GLU 29 -4.826 -10.126 -0.938 210 2HG GLU 29 2HG GLU 29 -3.330 -10.450 -0.081 211 H ILE 30 H ILE 30 -3.136 -8.457 1.334 212 HA ILE 30 HA ILE 30 -0.680 -9.211 2.822 213 HB ILE 30 HB ILE 30 -1.595 -6.622 1.504 214 1HG1 ILE 30 1HG1 ILE 30 -0.649 -7.843 -0.248 215 2HG1 ILE 30 2HG1 ILE 30 0.771 -7.010 0.325 216 1HG2 ILE 30 1HG2 ILE 30 -0.332 -5.883 3.558 217 2HG2 ILE 30 2HG2 ILE 30 1.041 -6.928 3.112 218 3HG2 ILE 30 3HG2 ILE 30 0.593 -5.524 2.104 219 1HD1 ILE 30 1HD1 ILE 30 0.178 -9.949 1.082 220 2HD1 ILE 30 2HD1 ILE 30 1.340 -9.356 -0.124 221 3HD1 ILE 30 3HD1 ILE 30 1.586 -8.984 1.594 222 H LEU 31 H LEU 31 -2.810 -6.418 3.506 223 HA LEU 31 HA LEU 31 -1.594 -5.753 6.042 224 1HB LEU 31 1HB LEU 31 -3.668 -4.413 6.544 225 2HB LEU 31 2HB LEU 31 -2.894 -4.045 5.022 226 HG LEU 31 HG LEU 31 -4.686 -5.658 3.921 227 1HD1 LEU 31 1HD1 LEU 31 -6.026 -5.097 6.653 228 2HD1 LEU 31 2HD1 LEU 31 -6.853 -5.745 5.210 229 3HD1 LEU 31 3HD1 LEU 31 -5.561 -6.681 5.970 230 1HD2 LEU 31 1HD2 LEU 31 -5.497 -2.908 5.111 231 2HD2 LEU 31 2HD2 LEU 31 -4.766 -3.206 3.509 232 3HD2 LEU 31 3HD2 LEU 31 -6.404 -3.777 3.845 233 H ARG 32 H ARG 32 -4.273 -7.993 5.480 234 HA ARG 32 HA ARG 32 -4.687 -8.621 8.357 235 1HB ARG 32 1HB ARG 32 -6.424 -8.586 6.582 236 2HB ARG 32 2HB ARG 32 -5.645 -9.913 5.722 237 1HG ARG 32 1HG ARG 32 -7.434 -10.965 6.915 238 2HG ARG 32 2HG ARG 32 -6.023 -11.303 7.936 239 1HD ARG 32 1HD ARG 32 -7.367 -8.678 8.586 240 2HD ARG 32 2HD ARG 32 -8.423 -10.088 8.827 241 HE ARG 32 HE ARG 32 -5.762 -10.692 9.949 242 1HH1 ARG 32 2HH1 ARG 32 -8.554 -8.766 10.705 243 2HH1 ARG 32 1HH1 ARG 32 -8.180 -8.793 12.493 244 1HH2 ARG 32 1HH2 ARG 32 -5.385 -10.717 11.971 245 2HH2 ARG 32 2HH2 ARG 32 -6.475 -9.859 13.154 246 H ALA 33 H ALA 33 -3.711 -10.904 5.772 247 HA ALA 33 HA ALA 33 -3.399 -13.043 7.660 248 1HB ALA 33 1HB ALA 33 -4.072 -13.309 5.278 249 2HB ALA 33 2HB ALA 33 -2.429 -12.876 4.730 250 3HB ALA 33 3HB ALA 33 -2.704 -14.370 5.654 251 H THR 34 H THR 34 -0.960 -10.787 6.756 252 HA THR 34 HA THR 34 1.463 -12.278 6.907 253 HB THR 34 HB THR 34 1.187 -9.391 7.937 254 HG1 THR 34 HG1 THR 34 0.308 -9.598 5.861 255 1HG2 THR 34 2HG2 THR 34 3.459 -10.576 8.246 256 2HG2 THR 34 3HG2 THR 34 3.531 -10.806 6.480 257 3HG2 THR 34 1HG2 THR 34 3.546 -9.168 7.156 258 H GLY 35 H GLY 35 2.574 -13.323 8.541 259 1HA GLY 35 1HA GLY 35 2.598 -13.314 11.286 260 2HA GLY 35 2HA GLY 35 0.899 -13.747 11.062 261 1HN NH2 36 1HN NH2 36 3.679 -15.126 12.016 262 2HN NH2 36 2HN NH2 36 3.551 -16.756 11.301 263 1H ACE 37 1HH3 ACE 37 -15.584 -4.810 12.297 264 2H ACE 37 2HH3 ACE 37 -14.463 -3.981 13.430 265 3H ACE 37 3HH3 ACE 37 -16.031 -3.241 13.018 266 H VAL 38 H VAL 38 -13.055 -4.402 11.435 267 HA VAL 38 HA VAL 38 -13.194 -2.226 9.282 268 HB VAL 38 HB VAL 38 -11.052 -4.400 9.572 269 1HG1 VAL 38 1HG1 VAL 38 -11.106 -1.765 7.927 270 2HG1 VAL 38 2HG1 VAL 38 -9.664 -2.786 8.131 271 3HG1 VAL 38 3HG1 VAL 38 -11.078 -3.416 7.281 272 1HG2 VAL 38 1HG2 VAL 38 -10.954 -2.895 11.607 273 2HG2 VAL 38 2HG2 VAL 38 -9.555 -2.613 10.548 274 3HG2 VAL 38 3HG2 VAL 38 -10.916 -1.464 10.553 275 H THR 39 H THR 39 -14.470 -2.641 7.621 276 HA THR 39 HA THR 39 -15.167 -5.529 6.851 277 HB THR 39 HB THR 39 -17.392 -4.924 6.200 278 HG1 THR 39 HG1 THR 39 -16.745 -2.729 5.498 279 1HG2 THR 39 2HG2 THR 39 -16.756 -3.493 8.878 280 2HG2 THR 39 3HG2 THR 39 -18.374 -4.015 8.348 281 3HG2 THR 39 1HG2 THR 39 -17.116 -5.225 8.679 282 H GLU 40 H GLU 40 -16.243 -5.181 4.430 283 HA GLU 40 HA GLU 40 -14.045 -4.483 2.546 284 1HB GLU 40 1HB GLU 40 -16.790 -5.614 2.327 285 2HB GLU 40 2HB GLU 40 -16.315 -4.655 0.958 286 1HG GLU 40 1HG GLU 40 -15.839 -7.121 0.634 287 2HG GLU 40 2HG GLU 40 -14.380 -6.162 0.469 288 H GLU 41 H GLU 41 -17.014 -2.810 3.540 289 HA GLU 41 HA GLU 41 -16.843 -0.625 1.679 290 1HB GLU 41 1HB GLU 41 -18.346 -0.950 4.293 291 2HB GLU 41 2HB GLU 41 -18.418 0.562 3.440 292 1HG GLU 41 1HG GLU 41 -19.088 -1.298 1.388 293 2HG GLU 41 2HG GLU 41 -19.797 -2.037 2.812 294 H ASP 42 H ASP 42 -15.572 -0.685 4.989 295 HA ASP 42 HA ASP 42 -14.374 2.039 5.040 296 1HB ASP 42 1HB ASP 42 -13.935 -0.543 6.643 297 2HB ASP 42 2HB ASP 42 -12.887 0.848 6.883 298 H ILE 43 H ILE 43 -13.315 -1.064 3.754 299 HA ILE 43 HA ILE 43 -10.458 -0.322 3.190 300 HB ILE 43 HB ILE 43 -12.237 -2.637 2.368 301 1HG1 ILE 43 1HG1 ILE 43 -10.420 -4.071 3.267 302 2HG1 ILE 43 2HG1 ILE 43 -9.352 -2.707 3.456 303 1HG2 ILE 43 1HG2 ILE 43 -11.104 -2.026 0.195 304 2HG2 ILE 43 2HG2 ILE 43 -9.518 -2.026 0.990 305 3HG2 ILE 43 3HG2 ILE 43 -10.443 -3.536 0.803 306 1HD1 ILE 43 1HD1 ILE 43 -10.846 -1.682 5.223 307 2HD1 ILE 43 2HD1 ILE 43 -11.878 -3.135 5.165 308 3HD1 ILE 43 3HD1 ILE 43 -10.179 -3.269 5.668 309 H GLU 44 H GLU 44 -13.437 -0.465 1.169 310 HA GLU 44 HA GLU 44 -11.986 0.385 -1.312 311 1HB GLU 44 1HB GLU 44 -14.708 -0.599 -0.654 312 2HB GLU 44 2HB GLU 44 -14.702 0.601 -1.911 313 1HG GLU 44 1HG GLU 44 -12.608 -1.325 -2.604 314 2HG GLU 44 2HG GLU 44 -14.009 -2.253 -2.102 315 H ASP 45 H ASP 45 -13.825 2.006 1.174 316 HA ASP 45 HA ASP 45 -13.961 4.677 -0.196 317 1HB ASP 45 1HB ASP 45 -14.584 3.691 2.648 318 2HB ASP 45 2HB ASP 45 -14.613 5.405 2.256 319 H LEU 46 H LEU 46 -11.739 3.125 2.084 320 HA LEU 46 HA LEU 46 -9.863 5.412 2.354 321 1HB LEU 46 1HB LEU 46 -10.016 3.472 3.913 322 2HB LEU 46 2HB LEU 46 -9.386 2.391 2.693 323 HG LEU 46 HG LEU 46 -7.657 2.993 4.406 324 1HD1 LEU 46 1HD1 LEU 46 -7.136 2.476 1.884 325 2HD1 LEU 46 2HD1 LEU 46 -6.702 4.206 1.756 326 3HD1 LEU 46 3HD1 LEU 46 -5.855 3.136 2.910 327 1HD2 LEU 46 1HD2 LEU 46 -7.998 5.853 3.312 328 2HD2 LEU 46 2HD2 LEU 46 -8.176 5.328 5.011 329 3HD2 LEU 46 3HD2 LEU 46 -6.574 5.333 4.216 330 H MET 47 H MET 47 -9.434 2.510 0.287 331 HA MET 47 HA MET 47 -7.245 3.464 -1.283 332 1HB MET 47 1HB MET 47 -8.099 1.117 -1.314 333 2HB MET 47 2HB MET 47 -9.524 1.621 -2.207 334 1HG MET 47 1HG MET 47 -8.117 0.755 -3.929 335 2HG MET 47 2HG MET 47 -7.892 2.507 -4.076 336 1HE MET 47 1HE MET 47 -5.954 0.841 -5.474 337 2HE MET 47 2HE MET 47 -5.647 2.585 -5.233 338 3HE MET 47 3HE MET 47 -4.339 1.407 -4.921 339 H LYS 48 H LYS 48 -10.715 3.979 -1.928 340 HA LYS 48 HA LYS 48 -10.286 5.403 -4.519 341 1HB LYS 48 1HB LYS 48 -12.560 5.253 -4.803 342 2HB LYS 48 2HB LYS 48 -12.276 3.858 -3.808 343 1HG LYS 48 1HG LYS 48 -14.199 4.749 -2.727 344 2HG LYS 48 2HG LYS 48 -12.964 5.512 -1.777 345 1HD LYS 48 1HD LYS 48 -13.999 7.469 -2.172 346 2HD LYS 48 2HD LYS 48 -13.174 7.507 -3.695 347 1HE LYS 48 1HE LYS 48 -15.437 7.930 -4.365 348 2HE LYS 48 2HE LYS 48 -15.349 6.197 -4.625 349 1HZ LYS 48 1HZ LYS 48 -16.173 6.935 -1.855 350 2HZ LYS 48 2HZ LYS 48 -17.246 7.275 -3.036 351 3HZ LYS 48 3HZ LYS 48 -16.802 5.767 -2.846 352 H ASP 49 H ASP 49 -10.553 6.401 -1.194 353 HA ASP 49 HA ASP 49 -10.681 9.368 -1.753 354 1HB ASP 49 1HB ASP 49 -11.423 8.485 0.456 355 2HB ASP 49 2HB ASP 49 -9.824 7.833 0.785 356 H SER 50 H SER 50 -8.091 6.996 -1.165 357 HA SER 50 HA SER 50 -5.940 8.969 -0.885 358 1HB SER 50 1HB SER 50 -5.651 6.805 0.163 359 2HB SER 50 2HB SER 50 -5.930 5.922 -1.334 360 HG SER 50 HG SER 50 -3.744 5.995 -0.878 361 H ASP 51 H ASP 51 -6.992 7.068 -3.690 362 HA ASP 51 HA ASP 51 -4.675 7.613 -5.374 363 1HB ASP 51 1HB ASP 51 -6.418 5.659 -5.445 364 2HB ASP 51 2HB ASP 51 -7.433 6.720 -6.412 365 H LYS 52 H LYS 52 -4.592 8.671 -7.440 366 HA LYS 52 HA LYS 52 -5.774 11.432 -7.692 367 1HB LYS 52 1HB LYS 52 -4.486 9.845 -9.943 368 2HB LYS 52 2HB LYS 52 -4.502 11.571 -9.752 369 1HG LYS 52 1HG LYS 52 -2.618 9.480 -8.592 370 2HG LYS 52 2HG LYS 52 -2.266 11.074 -9.181 371 1HD LYS 52 1HD LYS 52 -3.871 11.133 -6.654 372 2HD LYS 52 2HD LYS 52 -2.327 10.382 -6.423 373 1HE LYS 52 1HE LYS 52 -1.998 12.755 -5.911 374 2HE LYS 52 2HE LYS 52 -1.232 12.522 -7.481 375 1HZ LYS 52 1HZ LYS 52 -4.151 13.391 -7.409 376 2HZ LYS 52 2HZ LYS 52 -2.929 14.509 -7.378 377 3HZ LYS 52 3HZ LYS 52 -3.143 13.481 -8.628 378 H ASN 53 H ASN 53 -6.221 10.617 -10.690 379 HA ASN 53 HA ASN 53 -9.087 10.911 -10.480 380 1HB ASN 53 1HB ASN 53 -9.006 10.641 -13.071 381 2HB ASN 53 2HB ASN 53 -8.021 11.901 -12.380 382 1HD2 ASN 53 1HD2 ASN 53 -6.131 8.756 -14.172 383 2HD2 ASN 53 2HD2 ASN 53 -7.840 8.553 -13.578 384 H ASN 54 H ASN 54 -7.558 8.025 -9.975 385 HA ASN 54 HA ASN 54 -8.581 5.959 -9.291 386 1HB ASN 54 1HB ASN 54 -11.050 7.709 -9.874 387 2HB ASN 54 2HB ASN 54 -11.265 6.017 -9.516 388 1HD2 ASN 54 1HD2 ASN 54 -9.443 7.541 -6.283 389 2HD2 ASN 54 2HD2 ASN 54 -8.554 7.298 -7.852 390 H ASP 55 H ASP 55 -7.377 5.688 -11.572 391 HA ASP 55 HA ASP 55 -9.014 4.079 -13.535 392 1HB ASP 55 1HB ASP 55 -6.725 5.257 -13.998 393 2HB ASP 55 2HB ASP 55 -5.967 3.942 -13.111 394 H GLY 56 H GLY 56 -6.781 3.290 -10.852 395 1HA GLY 56 1HA GLY 56 -8.286 1.545 -9.336 396 2HA GLY 56 2HA GLY 56 -7.791 0.434 -10.623 397 H ARG 57 H ARG 57 -5.111 1.960 -10.701 398 HA ARG 57 HA ARG 57 -3.826 -0.018 -8.744 399 1HB ARG 57 1HB ARG 57 -2.243 0.789 -11.144 400 2HB ARG 57 2HB ARG 57 -2.528 -0.808 -10.453 401 1HG ARG 57 1HG ARG 57 -4.623 0.766 -12.119 402 2HG ARG 57 2HG ARG 57 -3.509 -0.407 -12.817 403 1HD ARG 57 1HD ARG 57 -4.531 -2.270 -11.525 404 2HD ARG 57 2HD ARG 57 -5.423 -1.139 -10.507 405 HE ARG 57 HE ARG 57 -6.868 -0.398 -12.404 406 1HH1 ARG 57 2HH1 ARG 57 -4.925 -3.149 -13.223 407 2HH1 ARG 57 1HH1 ARG 57 -5.999 -3.537 -14.667 408 1HH2 ARG 57 1HH2 ARG 57 -8.092 -0.942 -13.875 409 2HH2 ARG 57 2HH2 ARG 57 -7.714 -2.321 -15.025 410 H ILE 58 H ILE 58 -1.870 0.415 -7.722 411 HA ILE 58 HA ILE 58 -0.975 3.316 -7.550 412 HB ILE 58 HB ILE 58 -0.549 0.944 -5.667 413 1HG1 ILE 58 1HG1 ILE 58 -2.075 3.610 -5.279 414 2HG1 ILE 58 2HG1 ILE 58 -2.806 2.047 -5.512 415 1HG2 ILE 58 1HG2 ILE 58 1.557 2.351 -5.623 416 2HG2 ILE 58 2HG2 ILE 58 0.598 3.809 -5.300 417 3HG2 ILE 58 3HG2 ILE 58 0.685 2.498 -4.101 418 1HD1 ILE 58 1HD1 ILE 58 -1.819 1.172 -3.348 419 2HD1 ILE 58 2HD1 ILE 58 -1.173 2.800 -3.016 420 3HD1 ILE 58 3HD1 ILE 58 -2.928 2.549 -3.136 421 H ASP 59 H ASP 59 1.078 3.998 -7.921 422 HA ASP 59 HA ASP 59 3.086 2.048 -9.154 423 1HB ASP 59 1HB ASP 59 3.994 3.996 -10.386 424 2HB ASP 59 2HB ASP 59 2.263 3.853 -10.653 425 H PHE 60 H PHE 60 5.437 3.247 -8.976 426 HA PHE 60 HA PHE 60 6.297 2.454 -6.284 427 1HB PHE 60 1HB PHE 60 7.612 2.210 -8.477 428 2HB PHE 60 2HB PHE 60 7.964 3.905 -8.429 429 HD1 PHE 60 HD1 PHE 60 8.238 3.574 -5.087 430 HD2 PHE 60 HD2 PHE 60 10.115 1.853 -8.546 431 HE1 PHE 60 HE1 PHE 60 10.302 3.191 -3.788 432 HE2 PHE 60 HE2 PHE 60 12.167 1.483 -7.251 433 HZ PHE 60 HZ PHE 60 12.281 2.173 -4.876 434 H ASP 61 H ASP 61 6.075 5.691 -7.757 435 HA ASP 61 HA ASP 61 6.901 7.439 -5.588 436 1HB ASP 61 1HB ASP 61 4.370 7.998 -7.339 437 2HB ASP 61 2HB ASP 61 5.712 9.017 -6.872 438 H GLU 62 H GLU 62 3.530 6.694 -6.280 439 HA GLU 62 HA GLU 62 2.270 7.417 -3.770 440 1HB GLU 62 1HB GLU 62 1.329 5.103 -5.513 441 2HB GLU 62 2HB GLU 62 0.372 6.040 -4.407 442 1HG GLU 62 1HG GLU 62 1.155 8.101 -6.090 443 2HG GLU 62 2HG GLU 62 1.302 6.770 -7.223 444 H PHE 63 H PHE 63 4.255 4.535 -4.315 445 HA PHE 63 HA PHE 63 3.464 3.000 -1.869 446 1HB PHE 63 1HB PHE 63 4.797 2.113 -3.884 447 2HB PHE 63 2HB PHE 63 6.159 3.041 -3.354 448 HD1 PHE 63 HD1 PHE 63 4.108 0.037 -2.401 449 HD2 PHE 63 HD2 PHE 63 7.676 2.325 -1.658 450 HE1 PHE 63 HE1 PHE 63 5.008 -1.782 -1.011 451 HE2 PHE 63 HE2 PHE 63 8.531 0.529 -0.251 452 HZ PHE 63 HZ PHE 63 7.180 -1.505 0.145 453 H LEU 64 H LEU 64 6.290 5.109 -2.512 454 HA LEU 64 HA LEU 64 7.250 5.516 0.173 455 1HB LEU 64 1HB LEU 64 7.257 7.411 -2.230 456 2HB LEU 64 2HB LEU 64 8.055 7.828 -0.731 457 HG LEU 64 HG LEU 64 8.772 5.226 -2.188 458 1HD1 LEU 64 1HD1 LEU 64 9.871 8.057 -2.796 459 2HD1 LEU 64 2HD1 LEU 64 10.621 6.533 -3.343 460 3HD1 LEU 64 3HD1 LEU 64 8.997 6.954 -3.894 461 1HD2 LEU 64 1HD2 LEU 64 10.363 7.072 -0.258 462 2HD2 LEU 64 2HD2 LEU 64 9.757 5.426 0.088 463 3HD2 LEU 64 3HD2 LEU 64 11.042 5.660 -1.105 464 H LYS 65 H LYS 65 4.645 7.350 -1.433 465 HA LYS 65 HA LYS 65 3.955 9.030 0.906 466 1HB LYS 65 1HB LYS 65 2.675 8.222 -1.755 467 2HB LYS 65 2HB LYS 65 1.825 9.314 -0.678 468 1HG LYS 65 1HG LYS 65 3.687 11.006 -0.956 469 2HG LYS 65 2HG LYS 65 4.641 9.824 -1.870 470 1HD LYS 65 1HD LYS 65 3.261 9.855 -3.753 471 2HD LYS 65 2HD LYS 65 1.800 10.318 -2.875 472 1HE LYS 65 1HE LYS 65 2.339 12.660 -3.067 473 2HE LYS 65 2HE LYS 65 4.084 12.350 -3.098 474 1HZ LYS 65 1HZ LYS 65 2.352 11.332 -5.363 475 2HZ LYS 65 2HZ LYS 65 2.878 12.850 -5.423 476 3HZ LYS 65 3HZ LYS 65 3.958 11.604 -5.429 477 H MET 66 H MET 66 1.975 6.357 -0.498 478 HA MET 66 HA MET 66 0.289 5.609 1.531 479 1HB MET 66 1HB MET 66 0.248 4.299 -0.456 480 2HB MET 66 2HB MET 66 1.944 3.878 -0.351 481 1HG MET 66 1HG MET 66 1.034 2.633 1.972 482 2HG MET 66 2HG MET 66 -0.387 2.471 0.922 483 1HE MET 66 1HE MET 66 0.805 2.504 -1.982 484 2HE MET 66 2HE MET 66 1.000 0.751 -2.280 485 3HE MET 66 3HE MET 66 -0.444 1.354 -1.410 486 H MET 67 H MET 67 3.770 5.156 1.832 487 HA MET 67 HA MET 67 3.560 3.737 4.492 488 1HB MET 67 1HB MET 67 5.426 3.131 2.986 489 2HB MET 67 2HB MET 67 5.948 4.799 2.869 490 1HG MET 67 1HG MET 67 6.613 4.846 5.288 491 2HG MET 67 2HG MET 67 6.064 3.171 5.493 492 1HE MET 67 1HE MET 67 6.502 1.568 3.491 493 2HE MET 67 2HE MET 67 8.104 1.347 2.723 494 3HE MET 67 3HE MET 67 7.869 0.901 4.440 495 H GLU 68 H GLU 68 5.282 6.763 3.576 496 HA GLU 68 HA GLU 68 5.523 7.494 6.463 497 1HB GLU 68 1HB GLU 68 7.272 8.826 5.921 498 2HB GLU 68 2HB GLU 68 7.346 7.665 4.630 499 1HG GLU 68 1HG GLU 68 6.171 9.408 3.085 500 2HG GLU 68 2HG GLU 68 6.290 10.573 4.392 501 H GLY 69 H GLY 69 3.112 8.236 4.201 502 1HA GLY 69 1HA GLY 69 2.791 11.177 4.341 503 2HA GLY 69 2HA GLY 69 1.530 10.032 3.867 504 H VAL 70 H VAL 70 0.206 9.060 5.554 505 HA VAL 70 HA VAL 70 -0.204 11.001 7.899 506 HB VAL 70 HB VAL 70 -1.831 11.248 5.805 507 1HG1 VAL 70 1HG1 VAL 70 -3.201 8.927 7.344 508 2HG1 VAL 70 2HG1 VAL 70 -3.991 9.942 6.110 509 3HG1 VAL 70 3HG1 VAL 70 -2.652 8.888 5.651 510 1HG2 VAL 70 1HG2 VAL 70 -2.085 12.543 7.962 511 2HG2 VAL 70 2HG2 VAL 70 -3.651 12.076 7.318 512 3HG2 VAL 70 3HG2 VAL 70 -2.957 11.185 8.705 513 H GLN 71 H GLN 71 0.420 9.727 9.586 514 HA GLN 71 HA GLN 71 -0.645 6.960 9.947 515 1HB GLN 71 1HB GLN 71 1.643 8.202 10.727 516 2HB GLN 71 2HB GLN 71 0.720 8.428 12.211 517 1HG GLN 71 1HG GLN 71 0.864 5.649 10.889 518 2HG GLN 71 2HG GLN 71 2.229 6.202 11.840 519 1HE2 GLN 71 1HE2 GLN 71 0.687 5.074 14.785 520 2HE2 GLN 71 2HE2 GLN 71 2.208 5.450 13.805 521 1HN NH2 72 1HN NH2 72 -2.921 6.908 10.157 522 2HN NH2 72 2HN NH2 72 -3.786 7.650 11.530 No H/Q in entry = 522 Start of MODEL 22 1 1H ACE 1 1HH3 ACE 1 24.077 6.907 0.435 2 2H ACE 1 2HH3 ACE 1 24.520 7.534 -1.193 3 3H ACE 1 3HH3 ACE 1 24.295 8.653 0.181 4 H LYS 2 H LYS 2 22.401 6.025 -1.332 5 HA LYS 2 HA LYS 2 20.308 8.033 -2.116 6 1HB LYS 2 1HB LYS 2 20.265 5.110 -2.961 7 2HB LYS 2 2HB LYS 2 19.613 6.479 -3.836 8 1HG LYS 2 1HG LYS 2 22.625 6.622 -3.420 9 2HG LYS 2 2HG LYS 2 22.132 5.155 -4.226 10 1HD LYS 2 1HD LYS 2 22.671 6.854 -5.925 11 2HD LYS 2 2HD LYS 2 20.942 6.516 -6.025 12 1HE LYS 2 1HE LYS 2 20.283 8.581 -5.156 13 2HE LYS 2 2HE LYS 2 21.707 8.786 -4.120 14 1HZ LYS 2 1HZ LYS 2 22.462 8.756 -6.984 15 2HZ LYS 2 2HZ LYS 2 21.511 10.061 -6.587 16 3HZ LYS 2 3HZ LYS 2 22.912 9.734 -5.847 17 H SER 3 H SER 3 18.241 8.105 -1.433 18 HA SER 3 HA SER 3 17.277 6.192 0.712 19 1HB SER 3 1HB SER 3 17.399 8.884 0.627 20 2HB SER 3 2HB SER 3 15.799 8.742 -0.059 21 HG SER 3 HG SER 3 16.594 7.358 2.321 22 H GLU 4 H GLU 4 17.077 4.687 -1.497 23 HA GLU 4 HA GLU 4 14.275 4.680 -2.462 24 1HB GLU 4 1HB GLU 4 14.237 5.629 -4.436 25 2HB GLU 4 2HB GLU 4 15.599 6.508 -3.786 26 1HG GLU 4 1HG GLU 4 17.145 4.812 -5.096 27 2HG GLU 4 2HG GLU 4 15.684 4.244 -5.895 28 H GLU 5 H GLU 5 17.528 3.371 -2.933 29 HA GLU 5 HA GLU 5 16.854 0.883 -4.118 30 1HB GLU 5 1HB GLU 5 19.098 1.486 -4.120 31 2HB GLU 5 2HB GLU 5 19.182 1.760 -2.407 32 1HG GLU 5 1HG GLU 5 19.711 -0.488 -1.926 33 2HG GLU 5 2HG GLU 5 18.667 -1.139 -3.176 34 H GLU 6 H GLU 6 16.251 1.732 -0.826 35 HA GLU 6 HA GLU 6 15.823 -1.071 0.097 36 1HB GLU 6 1HB GLU 6 16.777 1.065 1.364 37 2HB GLU 6 2HB GLU 6 15.115 1.325 1.802 38 1HG GLU 6 1HG GLU 6 16.859 -1.118 2.553 39 2HG GLU 6 2HG GLU 6 16.236 0.108 3.642 40 H LEU 7 H LEU 7 13.569 1.706 -0.237 41 HA LEU 7 HA LEU 7 11.083 0.049 -0.254 42 1HB LEU 7 1HB LEU 7 11.705 2.865 -1.287 43 2HB LEU 7 2HB LEU 7 10.126 2.142 -1.468 44 HG LEU 7 HG LEU 7 10.921 1.937 1.352 45 1HD1 LEU 7 1HD1 LEU 7 12.417 3.866 0.872 46 2HD1 LEU 7 2HD1 LEU 7 11.071 4.785 0.149 47 3HD1 LEU 7 3HD1 LEU 7 11.059 4.379 1.885 48 1HD2 LEU 7 1HD2 LEU 7 8.679 3.556 -0.072 49 2HD2 LEU 7 2HD2 LEU 7 8.533 1.924 0.638 50 3HD2 LEU 7 3HD2 LEU 7 8.810 3.314 1.690 51 H ALA 8 H ALA 8 13.452 0.863 -2.768 52 HA ALA 8 HA ALA 8 12.210 -0.341 -5.038 53 1HB ALA 8 1HB ALA 8 15.183 -0.374 -4.180 54 2HB ALA 8 2HB ALA 8 14.589 -0.710 -5.818 55 3HB ALA 8 3HB ALA 8 14.352 0.894 -5.112 56 H ASN 9 H ASN 9 14.771 -2.330 -3.478 57 HA ASN 9 HA ASN 9 13.914 -4.948 -3.639 58 1HB ASN 9 1HB ASN 9 14.643 -3.730 -0.887 59 2HB ASN 9 2HB ASN 9 14.870 -5.382 -1.391 60 1HD2 ASN 9 1HD2 ASN 9 17.513 -3.768 -3.743 61 2HD2 ASN 9 2HD2 ASN 9 15.814 -4.289 -4.140 62 H ALA 10 H ALA 10 12.444 -2.797 -1.176 63 HA ALA 10 HA ALA 10 10.468 -4.713 -0.141 64 1HB ALA 10 1HB ALA 10 11.335 -2.710 1.083 65 2HB ALA 10 2HB ALA 10 10.486 -1.617 -0.040 66 3HB ALA 10 3HB ALA 10 9.562 -2.698 1.026 67 H PHE 11 H PHE 11 9.951 -2.012 -2.471 68 HA PHE 11 HA PHE 11 7.207 -2.643 -3.179 69 1HB PHE 11 1HB PHE 11 8.332 -0.470 -3.617 70 2HB PHE 11 2HB PHE 11 9.386 -1.200 -4.780 71 HD1 PHE 11 HD1 PHE 11 5.885 -0.005 -4.279 72 HD2 PHE 11 HD2 PHE 11 8.657 -1.734 -7.078 73 HE1 PHE 11 HE1 PHE 11 4.411 0.627 -6.148 74 HE2 PHE 11 HE2 PHE 11 7.144 -1.145 -8.926 75 HZ PHE 11 HZ PHE 11 5.046 0.065 -8.474 76 H ARG 12 H ARG 12 10.195 -3.754 -4.826 77 HA ARG 12 HA ARG 12 8.899 -5.543 -6.688 78 1HB ARG 12 1HB ARG 12 11.165 -5.003 -7.121 79 2HB ARG 12 2HB ARG 12 11.716 -5.455 -5.512 80 1HG ARG 12 1HG ARG 12 11.419 -7.874 -6.014 81 2HG ARG 12 2HG ARG 12 10.612 -7.521 -7.547 82 1HD ARG 12 1HD ARG 12 13.083 -6.123 -7.793 83 2HD ARG 12 2HD ARG 12 13.533 -7.616 -6.924 84 HE ARG 12 HE ARG 12 12.187 -7.522 -9.671 85 1HH1 ARG 12 2HH1 ARG 12 13.596 -9.464 -7.170 86 2HH1 ARG 12 1HH1 ARG 12 13.682 -10.938 -8.250 87 1HH2 ARG 12 1HH2 ARG 12 12.314 -9.171 -10.868 88 2HH2 ARG 12 2HH2 ARG 12 12.980 -10.757 -10.261 89 H ILE 13 H ILE 13 9.814 -6.164 -3.321 90 HA ILE 13 HA ILE 13 9.541 -9.126 -3.533 91 HB ILE 13 HB ILE 13 10.205 -7.252 -1.216 92 1HG1 ILE 13 1HG1 ILE 13 12.095 -7.713 -2.809 93 2HG1 ILE 13 2HG1 ILE 13 12.421 -8.296 -1.199 94 1HG2 ILE 13 1HG2 ILE 13 8.895 -9.149 -0.183 95 2HG2 ILE 13 2HG2 ILE 13 9.937 -10.342 -0.994 96 3HG2 ILE 13 3HG2 ILE 13 10.584 -9.280 0.272 97 1HD1 ILE 13 1HD1 ILE 13 11.878 -10.669 -1.840 98 2HD1 ILE 13 2HD1 ILE 13 11.598 -10.145 -3.519 99 3HD1 ILE 13 3HD1 ILE 13 13.210 -9.979 -2.796 100 H PHE 14 H PHE 14 7.529 -6.510 -2.354 101 HA PHE 14 HA PHE 14 5.269 -8.029 -1.160 102 1HB PHE 14 1HB PHE 14 5.545 -5.278 -2.503 103 2HB PHE 14 2HB PHE 14 3.968 -5.906 -2.157 104 HD1 PHE 14 HD1 PHE 14 6.019 -7.187 0.427 105 HD2 PHE 14 HD2 PHE 14 4.169 -3.527 -0.851 106 HE1 PHE 14 HE1 PHE 14 6.185 -6.298 2.718 107 HE2 PHE 14 HE2 PHE 14 4.358 -2.635 1.437 108 HZ PHE 14 HZ PHE 14 5.389 -4.001 3.219 109 H ASP 15 H ASP 15 6.110 -7.102 -4.495 110 HA ASP 15 HA ASP 15 3.653 -7.886 -5.771 111 1HB ASP 15 1HB ASP 15 5.312 -6.337 -6.755 112 2HB ASP 15 2HB ASP 15 6.501 -7.619 -6.927 113 H LYS 16 H LYS 16 3.110 -9.579 -7.201 114 HA LYS 16 HA LYS 16 4.611 -12.209 -6.855 115 1HB LYS 16 1HB LYS 16 1.779 -12.152 -8.003 116 2HB LYS 16 2HB LYS 16 2.657 -13.518 -7.375 117 1HG LYS 16 1HG LYS 16 2.447 -12.157 -5.023 118 2HG LYS 16 2HG LYS 16 1.203 -11.257 -5.882 119 1HD LYS 16 1HD LYS 16 0.752 -14.137 -6.309 120 2HD LYS 16 2HD LYS 16 1.003 -13.829 -4.592 121 1HE LYS 16 1HE LYS 16 -1.014 -12.875 -4.243 122 2HE LYS 16 2HE LYS 16 -0.911 -11.831 -5.675 123 1HZ LYS 16 1HZ LYS 16 -1.145 -14.635 -6.514 124 2HZ LYS 16 2HZ LYS 16 -2.399 -14.238 -5.514 125 3HZ LYS 16 3HZ LYS 16 -2.129 -13.365 -6.861 126 H ASN 17 H ASN 17 2.537 -10.591 -9.296 127 HA ASN 17 HA ASN 17 3.625 -12.261 -11.423 128 1HB ASN 17 1HB ASN 17 1.976 -11.189 -12.897 129 2HB ASN 17 2HB ASN 17 1.267 -11.652 -11.373 130 1HD2 ASN 17 1HD2 ASN 17 0.546 -8.025 -12.639 131 2HD2 ASN 17 2HD2 ASN 17 1.459 -9.192 -13.650 132 H ALA 18 H ALA 18 3.881 -8.684 -11.045 133 HA ALA 18 HA ALA 18 5.977 -7.471 -11.045 134 1HB ALA 18 1HB ALA 18 6.971 -9.713 -10.452 135 2HB ALA 18 2HB ALA 18 7.094 -10.109 -12.181 136 3HB ALA 18 3HB ALA 18 8.055 -8.776 -11.518 137 H ASP 19 H ASP 19 4.253 -6.882 -13.100 138 HA ASP 19 HA ASP 19 6.255 -5.981 -15.236 139 1HB ASP 19 1HB ASP 19 3.961 -6.881 -15.962 140 2HB ASP 19 2HB ASP 19 3.207 -5.490 -15.195 141 H GLY 20 H GLY 20 6.129 -5.201 -12.329 142 1HA GLY 20 1HA GLY 20 7.237 -3.255 -11.337 143 2HA GLY 20 2HA GLY 20 6.933 -2.360 -12.831 144 H TYR 21 H TYR 21 4.091 -3.735 -11.500 145 HA TYR 21 HA TYR 21 3.214 -1.016 -10.344 146 1HB TYR 21 1HB TYR 21 1.433 -2.939 -11.975 147 2HB TYR 21 2HB TYR 21 0.878 -1.514 -11.147 148 HD1 TYR 21 HD1 TYR 21 1.309 0.754 -12.027 149 HD2 TYR 21 HD2 TYR 21 2.700 -2.716 -14.154 150 HE1 TYR 21 HE1 TYR 21 1.706 2.130 -14.032 151 HE2 TYR 21 HE2 TYR 21 3.097 -1.309 -16.148 152 HH TYR 21 HH TYR 21 3.511 1.159 -16.646 153 H ILE 22 H ILE 22 1.965 -1.104 -8.436 154 HA ILE 22 HA ILE 22 1.037 -3.825 -7.406 155 HB ILE 22 HB ILE 22 0.853 -1.153 -5.921 156 1HG1 ILE 22 1HG1 ILE 22 3.293 -2.723 -6.407 157 2HG1 ILE 22 2HG1 ILE 22 3.108 -1.186 -5.607 158 1HG2 ILE 22 1HG2 ILE 22 -0.666 -2.965 -5.006 159 2HG2 ILE 22 2HG2 ILE 22 0.716 -4.066 -4.841 160 3HG2 ILE 22 3HG2 ILE 22 0.600 -2.590 -3.848 161 1HD1 ILE 22 1HD1 ILE 22 2.498 -2.337 -3.418 162 2HD1 ILE 22 2HD1 ILE 22 2.885 -3.899 -4.183 163 3HD1 ILE 22 3HD1 ILE 22 4.149 -2.665 -4.001 164 H ASP 23 H ASP 23 -1.134 -4.257 -6.913 165 HA ASP 23 HA ASP 23 -3.135 -2.660 -8.589 166 1HB ASP 23 1HB ASP 23 -4.064 -4.903 -9.420 167 2HB ASP 23 2HB ASP 23 -2.479 -4.466 -10.043 168 H ILE 24 H ILE 24 -5.445 -3.612 -8.190 169 HA ILE 24 HA ILE 24 -6.025 -2.875 -5.326 170 HB ILE 24 HB ILE 24 -7.361 -2.161 -7.500 171 1HG1 ILE 24 1HG1 ILE 24 -9.104 -2.887 -5.062 172 2HG1 ILE 24 2HG1 ILE 24 -7.907 -1.624 -4.969 173 1HG2 ILE 24 1HG2 ILE 24 -8.037 -4.484 -8.268 174 2HG2 ILE 24 2HG2 ILE 24 -8.921 -4.742 -6.750 175 3HG2 ILE 24 3HG2 ILE 24 -9.460 -3.515 -7.925 176 1HD1 ILE 24 1HD1 ILE 24 -8.995 -0.379 -6.906 177 2HD1 ILE 24 2HD1 ILE 24 -10.331 -1.555 -6.856 178 3HD1 ILE 24 3HD1 ILE 24 -10.011 -0.522 -5.447 179 H GLU 25 H GLU 25 -5.979 -5.781 -7.269 180 HA GLU 25 HA GLU 25 -7.243 -7.581 -5.229 181 1HB GLU 25 1HB GLU 25 -6.265 -7.852 -7.988 182 2HB GLU 25 2HB GLU 25 -5.763 -9.203 -7.018 183 1HG GLU 25 1HG GLU 25 -8.079 -9.308 -8.349 184 2HG GLU 25 2HG GLU 25 -7.989 -10.033 -6.754 185 H GLU 26 H GLU 26 -3.972 -6.570 -5.995 186 HA GLU 26 HA GLU 26 -2.666 -8.299 -3.918 187 1HB GLU 26 1HB GLU 26 -1.596 -6.043 -5.661 188 2HB GLU 26 2HB GLU 26 -0.629 -6.771 -4.415 189 1HG GLU 26 1HG GLU 26 -1.213 -9.093 -5.725 190 2HG GLU 26 2HG GLU 26 -1.569 -8.015 -7.062 191 H LEU 27 H LEU 27 -4.280 -5.277 -3.872 192 HA LEU 27 HA LEU 27 -2.775 -3.855 -1.830 193 1HB LEU 27 1HB LEU 27 -4.280 -2.783 -3.470 194 2HB LEU 27 2HB LEU 27 -5.688 -3.510 -2.740 195 HG LEU 27 HG LEU 27 -4.831 -0.942 -2.220 196 1HD1 LEU 27 1HD1 LEU 27 -7.077 -1.903 -1.705 197 2HD1 LEU 27 2HD1 LEU 27 -6.430 -2.732 -0.260 198 3HD1 LEU 27 3HD1 LEU 27 -6.463 -0.947 -0.358 199 1HD2 LEU 27 1HD2 LEU 27 -3.822 -2.607 0.206 200 2HD2 LEU 27 2HD2 LEU 27 -2.802 -1.651 -0.911 201 3HD2 LEU 27 3HD2 LEU 27 -3.971 -0.829 0.128 202 H GLY 28 H GLY 28 -6.106 -4.983 -1.249 203 1HA GLY 28 1HA GLY 28 -6.210 -5.239 1.647 204 2HA GLY 28 2HA GLY 28 -7.065 -6.305 0.525 205 H GLU 29 H GLU 29 -4.516 -7.270 -0.679 206 HA GLU 29 HA GLU 29 -4.235 -9.613 1.087 207 1HB GLU 29 1HB GLU 29 -3.955 -9.089 -1.670 208 2HB GLU 29 2HB GLU 29 -2.365 -9.604 -1.193 209 1HG GLU 29 1HG GLU 29 -3.714 -11.689 -0.051 210 2HG GLU 29 2HG GLU 29 -4.973 -11.224 -1.179 211 H ILE 30 H ILE 30 -1.844 -7.166 0.114 212 HA ILE 30 HA ILE 30 0.333 -7.913 2.010 213 HB ILE 30 HB ILE 30 -0.414 -5.231 0.738 214 1HG1 ILE 30 1HG1 ILE 30 0.676 -6.211 -1.052 215 2HG1 ILE 30 2HG1 ILE 30 2.096 -5.666 -0.203 216 1HG2 ILE 30 1HG2 ILE 30 0.687 -4.750 2.955 217 2HG2 ILE 30 2HG2 ILE 30 2.058 -5.805 2.524 218 3HG2 ILE 30 3HG2 ILE 30 1.750 -4.292 1.628 219 1HD1 ILE 30 1HD1 ILE 30 1.084 -8.580 0.000 220 2HD1 ILE 30 2HD1 ILE 30 2.449 -7.974 -0.961 221 3HD1 ILE 30 3HD1 ILE 30 2.516 -7.894 0.810 222 H LEU 31 H LEU 31 -2.349 -5.549 2.262 223 HA LEU 31 HA LEU 31 -1.791 -5.012 5.166 224 1HB LEU 31 1HB LEU 31 -4.282 -3.946 3.843 225 2HB LEU 31 2HB LEU 31 -3.217 -3.169 4.990 226 HG LEU 31 HG LEU 31 -2.365 -3.658 2.077 227 1HD1 LEU 31 1HD1 LEU 31 -3.822 -1.201 3.264 228 2HD1 LEU 31 2HD1 LEU 31 -3.048 -1.266 1.658 229 3HD1 LEU 31 3HD1 LEU 31 -4.420 -2.322 2.009 230 1HD2 LEU 31 1HD2 LEU 31 -1.330 -1.706 4.257 231 2HD2 LEU 31 2HD2 LEU 31 -0.447 -3.091 3.555 232 3HD2 LEU 31 3HD2 LEU 31 -0.819 -1.688 2.548 233 H ARG 32 H ARG 32 -3.577 -7.473 3.666 234 HA ARG 32 HA ARG 32 -4.327 -8.377 6.497 235 1HB ARG 32 1HB ARG 32 -6.113 -7.072 4.955 236 2HB ARG 32 2HB ARG 32 -6.334 -8.652 4.205 237 1HG ARG 32 1HG ARG 32 -8.011 -8.333 5.989 238 2HG ARG 32 2HG ARG 32 -6.892 -9.614 6.489 239 1HD ARG 32 1HD ARG 32 -5.869 -8.301 8.179 240 2HD ARG 32 2HD ARG 32 -6.152 -6.769 7.323 241 HE ARG 32 HE ARG 32 -8.104 -8.147 9.149 242 1HH1 ARG 32 2HH1 ARG 32 -7.868 -5.824 6.576 243 2HH1 ARG 32 1HH1 ARG 32 -9.459 -5.048 7.030 244 1HH2 ARG 32 1HH2 ARG 32 -9.900 -7.260 9.618 245 2HH2 ARG 32 2HH2 ARG 32 -10.530 -5.830 8.679 246 H ALA 33 H ALA 33 -2.164 -9.178 4.639 247 HA ALA 33 HA ALA 33 -2.097 -11.583 3.412 248 1HB ALA 33 1HB ALA 33 -0.071 -10.401 4.248 249 2HB ALA 33 2HB ALA 33 -0.381 -10.973 5.910 250 3HB ALA 33 3HB ALA 33 0.025 -12.130 4.624 251 H THR 34 H THR 34 -1.692 -12.080 6.901 252 HA THR 34 HA THR 34 -2.804 -14.860 6.583 253 HB THR 34 HB THR 34 -1.695 -15.287 8.829 254 HG1 THR 34 HG1 THR 34 -1.679 -12.846 9.226 255 1HG2 THR 34 2HG2 THR 34 -0.512 -15.627 6.560 256 2HG2 THR 34 3HG2 THR 34 0.183 -13.993 6.726 257 3HG2 THR 34 1HG2 THR 34 0.616 -15.256 7.891 258 H GLY 35 H GLY 35 -4.380 -15.813 8.100 259 1HA GLY 35 1HA GLY 35 -4.937 -14.601 10.755 260 2HA GLY 35 2HA GLY 35 -6.268 -14.244 9.648 261 1HN NH2 36 1HN NH2 36 -7.690 -15.957 8.879 262 2HN NH2 36 2HN NH2 36 -7.786 -17.499 9.770 263 1H ACE 37 1HH3 ACE 37 -14.420 -1.529 13.784 264 2H ACE 37 2HH3 ACE 37 -14.161 -3.028 14.740 265 3H ACE 37 3HH3 ACE 37 -12.970 -1.703 14.808 266 H VAL 38 H VAL 38 -14.490 -3.934 12.487 267 HA VAL 38 HA VAL 38 -11.878 -4.247 10.913 268 HB VAL 38 HB VAL 38 -11.980 -6.762 11.404 269 1HG1 VAL 38 1HG1 VAL 38 -11.235 -4.833 13.722 270 2HG1 VAL 38 2HG1 VAL 38 -10.733 -6.537 13.641 271 3HG1 VAL 38 3HG1 VAL 38 -10.164 -5.390 12.423 272 1HG2 VAL 38 1HG2 VAL 38 -14.249 -6.909 12.520 273 2HG2 VAL 38 2HG2 VAL 38 -12.971 -7.473 13.618 274 3HG2 VAL 38 3HG2 VAL 38 -13.679 -5.852 13.831 275 H THR 39 H THR 39 -12.647 -4.004 8.846 276 HA THR 39 HA THR 39 -15.121 -5.383 7.885 277 HB THR 39 HB THR 39 -16.047 -2.976 7.083 278 HG1 THR 39 HG1 THR 39 -14.562 -2.501 9.419 279 1HG2 THR 39 2HG2 THR 39 -16.557 -4.204 9.884 280 2HG2 THR 39 3HG2 THR 39 -17.641 -3.069 9.043 281 3HG2 THR 39 1HG2 THR 39 -17.358 -4.688 8.371 282 H GLU 40 H GLU 40 -15.436 -5.075 5.589 283 HA GLU 40 HA GLU 40 -12.948 -4.796 3.944 284 1HB GLU 40 1HB GLU 40 -14.199 -6.389 2.967 285 2HB GLU 40 2HB GLU 40 -15.725 -5.737 3.481 286 1HG GLU 40 1HG GLU 40 -16.006 -4.426 1.508 287 2HG GLU 40 2HG GLU 40 -14.285 -4.209 1.249 288 H GLU 41 H GLU 41 -15.837 -2.779 4.440 289 HA GLU 41 HA GLU 41 -15.260 -0.702 2.590 290 1HB GLU 41 1HB GLU 41 -17.141 -1.142 4.720 291 2HB GLU 41 2HB GLU 41 -16.576 0.493 4.885 292 1HG GLU 41 1HG GLU 41 -18.431 0.842 3.473 293 2HG GLU 41 2HG GLU 41 -17.190 0.690 2.242 294 H ASP 42 H ASP 42 -13.562 -1.204 5.555 295 HA ASP 42 HA ASP 42 -12.280 1.440 5.706 296 1HB ASP 42 1HB ASP 42 -11.836 -1.283 7.011 297 2HB ASP 42 2HB ASP 42 -10.591 -0.057 7.201 298 H ILE 43 H ILE 43 -11.016 -1.638 4.390 299 HA ILE 43 HA ILE 43 -8.648 -0.546 3.023 300 HB ILE 43 HB ILE 43 -10.357 -3.003 2.468 301 1HG1 ILE 43 1HG1 ILE 43 -7.364 -3.262 2.787 302 2HG1 ILE 43 2HG1 ILE 43 -8.177 -2.640 4.197 303 1HG2 ILE 43 1HG2 ILE 43 -9.650 -2.226 0.171 304 2HG2 ILE 43 2HG2 ILE 43 -7.960 -2.111 0.701 305 3HG2 ILE 43 3HG2 ILE 43 -8.776 -3.690 0.596 306 1HD1 ILE 43 1HD1 ILE 43 -9.749 -4.623 4.263 307 2HD1 ILE 43 2HD1 ILE 43 -8.841 -5.361 2.917 308 3HD1 ILE 43 3HD1 ILE 43 -8.034 -5.047 4.469 309 H GLU 44 H GLU 44 -12.058 -0.634 2.056 310 HA GLU 44 HA GLU 44 -11.553 0.448 -0.697 311 1HB GLU 44 1HB GLU 44 -13.443 -0.569 -1.150 312 2HB GLU 44 2HB GLU 44 -13.651 -1.010 0.517 313 1HG GLU 44 1HG GLU 44 -15.528 0.316 0.689 314 2HG GLU 44 2HG GLU 44 -14.649 1.752 0.195 315 H ASP 45 H ASP 45 -12.484 1.810 2.390 316 HA ASP 45 HA ASP 45 -12.829 4.631 1.408 317 1HB ASP 45 1HB ASP 45 -12.679 3.283 4.152 318 2HB ASP 45 2HB ASP 45 -12.504 5.029 4.041 319 H LEU 46 H LEU 46 -10.144 2.684 2.639 320 HA LEU 46 HA LEU 46 -8.074 4.808 2.531 321 1HB LEU 46 1HB LEU 46 -7.887 2.670 3.797 322 2HB LEU 46 2HB LEU 46 -7.807 1.750 2.313 323 HG LEU 46 HG LEU 46 -5.641 3.502 1.947 324 1HD1 LEU 46 1HD1 LEU 46 -6.200 4.175 4.464 325 2HD1 LEU 46 2HD1 LEU 46 -5.361 2.670 4.867 326 3HD1 LEU 46 3HD1 LEU 46 -4.497 3.953 3.970 327 1HD2 LEU 46 1HD2 LEU 46 -5.788 0.661 3.105 328 2HD2 LEU 46 2HD2 LEU 46 -5.330 1.170 1.478 329 3HD2 LEU 46 3HD2 LEU 46 -4.215 1.471 2.842 330 H MET 47 H MET 47 -8.705 2.279 0.045 331 HA MET 47 HA MET 47 -7.293 3.892 -2.034 332 1HB MET 47 1HB MET 47 -7.479 1.283 -1.825 333 2HB MET 47 2HB MET 47 -9.063 1.450 -2.562 334 1HG MET 47 1HG MET 47 -7.729 1.041 -4.471 335 2HG MET 47 2HG MET 47 -7.824 2.811 -4.490 336 1HE MET 47 1HE MET 47 -5.736 0.918 -5.928 337 2HE MET 47 2HE MET 47 -5.681 2.695 -6.114 338 3HE MET 47 3HE MET 47 -4.190 1.805 -5.692 339 H LYS 48 H LYS 48 -10.428 4.281 -0.775 340 HA LYS 48 HA LYS 48 -11.370 5.814 -3.181 341 1HB LYS 48 1HB LYS 48 -12.297 5.259 -0.370 342 2HB LYS 48 2HB LYS 48 -12.908 6.738 -1.044 343 1HG LYS 48 1HG LYS 48 -14.275 4.413 -1.289 344 2HG LYS 48 2HG LYS 48 -14.331 5.603 -2.551 345 1HD LYS 48 1HD LYS 48 -13.114 4.409 -4.092 346 2HD LYS 48 2HD LYS 48 -12.048 3.653 -2.954 347 1HE LYS 48 1HE LYS 48 -13.311 1.753 -3.610 348 2HE LYS 48 2HE LYS 48 -14.319 2.265 -2.267 349 1HZ LYS 48 1HZ LYS 48 -15.498 3.776 -4.186 350 2HZ LYS 48 2HZ LYS 48 -14.895 2.614 -5.161 351 3HZ LYS 48 3HZ LYS 48 -15.921 2.182 -4.034 352 H ASP 49 H ASP 49 -9.656 6.548 -0.176 353 HA ASP 49 HA ASP 49 -9.590 9.541 -0.592 354 1HB ASP 49 1HB ASP 49 -9.558 8.406 1.713 355 2HB ASP 49 2HB ASP 49 -7.915 7.870 1.388 356 H SER 50 H SER 50 -7.409 6.816 -1.236 357 HA SER 50 HA SER 50 -5.040 8.539 -1.975 358 1HB SER 50 1HB SER 50 -4.917 6.184 -0.867 359 2HB SER 50 2HB SER 50 -5.383 5.500 -2.422 360 HG SER 50 HG SER 50 -2.995 6.556 -1.578 361 H ASP 51 H ASP 51 -7.665 6.852 -3.617 362 HA ASP 51 HA ASP 51 -6.693 6.878 -6.320 363 1HB ASP 51 1HB ASP 51 -8.693 5.605 -5.396 364 2HB ASP 51 2HB ASP 51 -9.639 7.087 -5.415 365 H LYS 52 H LYS 52 -7.700 8.133 -8.187 366 HA LYS 52 HA LYS 52 -7.582 11.133 -7.625 367 1HB LYS 52 1HB LYS 52 -6.306 10.099 -10.156 368 2HB LYS 52 2HB LYS 52 -5.942 11.563 -9.296 369 1HG LYS 52 1HG LYS 52 -5.013 8.668 -8.650 370 2HG LYS 52 2HG LYS 52 -4.028 10.005 -9.155 371 1HD LYS 52 1HD LYS 52 -5.507 10.099 -6.471 372 2HD LYS 52 2HD LYS 52 -3.942 9.362 -6.576 373 1HE LYS 52 1HE LYS 52 -4.699 12.347 -7.024 374 2HE LYS 52 2HE LYS 52 -3.653 11.673 -5.777 375 1HZ LYS 52 1HZ LYS 52 -2.168 10.859 -7.795 376 2HZ LYS 52 2HZ LYS 52 -2.949 11.862 -8.740 377 3HZ LYS 52 3HZ LYS 52 -2.082 12.453 -7.458 378 H ASN 53 H ASN 53 -7.753 11.145 -10.839 379 HA ASN 53 HA ASN 53 -10.604 10.670 -11.281 380 1HB ASN 53 1HB ASN 53 -9.932 10.881 -13.772 381 2HB ASN 53 2HB ASN 53 -9.488 12.217 -12.747 382 1HD2 ASN 53 1HD2 ASN 53 -6.038 11.840 -13.470 383 2HD2 ASN 53 2HD2 ASN 53 -7.299 12.701 -12.480 384 H ASN 54 H ASN 54 -8.727 8.316 -10.386 385 HA ASN 54 HA ASN 54 -9.430 6.041 -10.047 386 1HB ASN 54 1HB ASN 54 -11.675 7.080 -11.884 387 2HB ASN 54 2HB ASN 54 -11.551 5.366 -11.602 388 1HD2 ASN 54 1HD2 ASN 54 -13.274 5.662 -8.556 389 2HD2 ASN 54 2HD2 ASN 54 -12.680 4.617 -9.926 390 H ASP 55 H ASP 55 -7.390 6.789 -12.014 391 HA ASP 55 HA ASP 55 -7.200 4.210 -13.586 392 1HB ASP 55 1HB ASP 55 -4.729 4.998 -13.833 393 2HB ASP 55 2HB ASP 55 -5.971 5.982 -14.595 394 H GLY 56 H GLY 56 -7.830 2.845 -11.636 395 1HA GLY 56 1HA GLY 56 -6.841 3.281 -8.914 396 2HA GLY 56 2HA GLY 56 -7.547 1.768 -9.498 397 H ARG 57 H ARG 57 -5.476 1.311 -11.526 398 HA ARG 57 HA ARG 57 -3.558 -0.263 -10.013 399 1HB ARG 57 1HB ARG 57 -3.642 0.669 -12.933 400 2HB ARG 57 2HB ARG 57 -2.324 -0.338 -12.334 401 1HG ARG 57 1HG ARG 57 -3.702 -2.099 -12.941 402 2HG ARG 57 2HG ARG 57 -4.490 -1.811 -11.392 403 1HD ARG 57 1HD ARG 57 -6.406 -0.826 -12.388 404 2HD ARG 57 2HD ARG 57 -5.471 -0.091 -13.689 405 HE ARG 57 HE ARG 57 -6.393 -2.992 -13.707 406 1HH1 ARG 57 2HH1 ARG 57 -4.650 -0.507 -15.379 407 2HH1 ARG 57 1HH1 ARG 57 -4.805 -1.411 -16.976 408 1HH2 ARG 57 1HH2 ARG 57 -6.404 -4.006 -15.418 409 2HH2 ARG 57 2HH2 ARG 57 -5.685 -3.352 -16.971 410 H ILE 58 H ILE 58 -1.722 0.110 -9.043 411 HA ILE 58 HA ILE 58 -0.771 2.990 -8.892 412 HB ILE 58 HB ILE 58 -0.756 0.703 -6.869 413 1HG1 ILE 58 1HG1 ILE 58 -2.089 3.492 -6.864 414 2HG1 ILE 58 2HG1 ILE 58 -2.896 1.956 -7.003 415 1HG2 ILE 58 1HG2 ILE 58 1.456 1.906 -6.591 416 2HG2 ILE 58 2HG2 ILE 58 0.612 3.461 -6.453 417 3HG2 ILE 58 3HG2 ILE 58 0.410 2.207 -5.207 418 1HD1 ILE 58 1HD1 ILE 58 -2.192 1.285 -4.660 419 2HD1 ILE 58 2HD1 ILE 58 -1.476 2.903 -4.441 420 3HD1 ILE 58 3HD1 ILE 58 -3.223 2.737 -4.720 421 H ASP 59 H ASP 59 1.324 3.616 -9.137 422 HA ASP 59 HA ASP 59 3.498 1.512 -9.567 423 1HB ASP 59 1HB ASP 59 4.640 3.212 -10.965 424 2HB ASP 59 2HB ASP 59 2.989 2.965 -11.516 425 H PHE 60 H PHE 60 5.769 3.045 -9.249 426 HA PHE 60 HA PHE 60 6.310 2.452 -6.404 427 1HB PHE 60 1HB PHE 60 7.956 2.404 -8.415 428 2HB PHE 60 2HB PHE 60 8.055 4.129 -8.302 429 HD1 PHE 60 HD1 PHE 60 7.917 1.863 -5.310 430 HD2 PHE 60 HD2 PHE 60 10.386 4.415 -7.728 431 HE1 PHE 60 HE1 PHE 60 9.725 1.673 -3.662 432 HE2 PHE 60 HE2 PHE 60 12.200 4.220 -6.065 433 HZ PHE 60 HZ PHE 60 11.877 2.835 -4.036 434 H ASP 61 H ASP 61 5.428 5.433 -8.041 435 HA ASP 61 HA ASP 61 6.136 7.477 -6.016 436 1HB ASP 61 1HB ASP 61 5.466 8.444 -8.078 437 2HB ASP 61 2HB ASP 61 4.265 7.212 -8.414 438 H GLU 62 H GLU 62 2.879 6.674 -6.853 439 HA GLU 62 HA GLU 62 1.227 6.971 -4.575 440 1HB GLU 62 1HB GLU 62 1.160 4.651 -6.552 441 2HB GLU 62 2HB GLU 62 -0.103 4.967 -5.399 442 1HG GLU 62 1HG GLU 62 0.627 7.267 -7.285 443 2HG GLU 62 2HG GLU 62 -0.185 5.883 -7.993 444 H PHE 63 H PHE 63 3.690 4.444 -4.871 445 HA PHE 63 HA PHE 63 2.837 2.807 -2.490 446 1HB PHE 63 1HB PHE 63 4.334 2.024 -4.432 447 2HB PHE 63 2HB PHE 63 5.609 3.017 -3.811 448 HD1 PHE 63 HD1 PHE 63 3.698 -0.105 -3.067 449 HD2 PHE 63 HD2 PHE 63 6.842 2.498 -1.704 450 HE1 PHE 63 HE1 PHE 63 4.558 -1.886 -1.630 451 HE2 PHE 63 HE2 PHE 63 7.740 0.663 -0.322 452 HZ PHE 63 HZ PHE 63 6.628 -1.543 -0.319 453 H LEU 64 H LEU 64 5.576 5.059 -2.962 454 HA LEU 64 HA LEU 64 6.405 5.454 -0.264 455 1HB LEU 64 1HB LEU 64 6.424 7.391 -2.629 456 2HB LEU 64 2HB LEU 64 7.116 7.853 -1.094 457 HG LEU 64 HG LEU 64 8.042 5.366 -2.656 458 1HD1 LEU 64 1HD1 LEU 64 9.164 8.252 -2.715 459 2HD1 LEU 64 2HD1 LEU 64 10.002 6.819 -3.370 460 3HD1 LEU 64 3HD1 LEU 64 8.455 7.318 -4.061 461 1HD2 LEU 64 1HD2 LEU 64 9.342 6.918 -0.298 462 2HD2 LEU 64 2HD2 LEU 64 8.724 5.241 -0.268 463 3HD2 LEU 64 3HD2 LEU 64 10.147 5.637 -1.241 464 H LYS 65 H LYS 65 3.721 7.201 -1.832 465 HA LYS 65 HA LYS 65 2.974 8.744 0.614 466 1HB LYS 65 1HB LYS 65 2.110 8.288 -2.237 467 2HB LYS 65 2HB LYS 65 0.845 8.898 -1.188 468 1HG LYS 65 1HG LYS 65 2.638 10.827 -0.620 469 2HG LYS 65 2HG LYS 65 3.505 10.203 -2.035 470 1HD LYS 65 1HD LYS 65 1.825 12.114 -2.483 471 2HD LYS 65 2HD LYS 65 1.750 10.732 -3.582 472 1HE LYS 65 1HE LYS 65 -0.439 10.156 -2.825 473 2HE LYS 65 2HE LYS 65 -0.098 10.662 -1.160 474 1HZ LYS 65 1HZ LYS 65 0.054 13.088 -2.220 475 2HZ LYS 65 2HZ LYS 65 -0.755 12.505 -3.482 476 3HZ LYS 65 3HZ LYS 65 -1.448 12.501 -1.985 477 H MET 66 H MET 66 1.383 5.982 -1.058 478 HA MET 66 HA MET 66 -0.656 5.345 0.762 479 1HB MET 66 1HB MET 66 -0.333 4.240 -1.440 480 2HB MET 66 2HB MET 66 1.082 3.392 -0.856 481 1HG MET 66 1HG MET 66 -1.292 2.798 0.856 482 2HG MET 66 2HG MET 66 -1.525 2.329 -0.839 483 1HE MET 66 1HE MET 66 1.218 1.664 -2.011 484 2HE MET 66 2HE MET 66 1.362 -0.080 -1.638 485 3HE MET 66 3HE MET 66 -0.216 0.599 -2.142 486 H MET 67 H MET 67 2.736 4.523 1.246 487 HA MET 67 HA MET 67 2.216 3.249 3.989 488 1HB MET 67 1HB MET 67 4.128 2.480 2.302 489 2HB MET 67 2HB MET 67 4.965 3.933 2.812 490 1HG MET 67 1HG MET 67 5.440 3.153 4.968 491 2HG MET 67 2HG MET 67 3.989 2.136 5.066 492 1HE MET 67 1HE MET 67 7.073 2.893 2.972 493 2HE MET 67 2HE MET 67 7.958 1.995 4.246 494 3HE MET 67 3HE MET 67 7.816 1.309 2.598 495 H GLU 68 H GLU 68 4.218 6.006 2.722 496 HA GLU 68 HA GLU 68 4.827 6.780 5.556 497 1HB GLU 68 1HB GLU 68 6.218 6.928 3.111 498 2HB GLU 68 2HB GLU 68 5.912 8.594 3.495 499 1HG GLU 68 1HG GLU 68 7.592 6.564 5.085 500 2HG GLU 68 2HG GLU 68 8.088 8.122 4.449 501 H GLY 69 H GLY 69 2.649 7.908 3.120 502 1HA GLY 69 1HA GLY 69 1.821 10.594 3.842 503 2HA GLY 69 2HA GLY 69 0.701 9.309 3.373 504 H VAL 70 H VAL 70 1.649 11.351 5.842 505 HA VAL 70 HA VAL 70 0.978 9.544 8.161 506 HB VAL 70 HB VAL 70 2.992 11.281 7.895 507 1HG1 VAL 70 1HG1 VAL 70 0.845 13.040 9.285 508 2HG1 VAL 70 2HG1 VAL 70 2.591 13.397 9.248 509 3HG1 VAL 70 3HG1 VAL 70 1.664 13.399 7.746 510 1HG2 VAL 70 1HG2 VAL 70 2.694 9.732 9.871 511 2HG2 VAL 70 2HG2 VAL 70 3.275 11.308 10.387 512 3HG2 VAL 70 3HG2 VAL 70 1.557 10.870 10.626 513 H GLN 71 H GLN 71 -0.460 10.193 9.861 514 HA GLN 71 HA GLN 71 -3.101 11.369 9.085 515 1HB GLN 71 1HB GLN 71 -3.282 9.662 10.672 516 2HB GLN 71 2HB GLN 71 -1.887 10.197 11.606 517 1HG GLN 71 1HG GLN 71 -3.617 10.887 13.036 518 2HG GLN 71 2HG GLN 71 -3.451 12.375 12.123 519 1HE2 GLN 71 1HE2 GLN 71 -7.063 11.410 12.349 520 2HE2 GLN 71 2HE2 GLN 71 -5.685 11.600 13.567 521 1HN NH2 72 1HN NH2 72 -4.024 13.416 9.763 522 2HN NH2 72 2HN NH2 72 -3.006 14.775 10.309 No H/Q in entry = 522 Start of MODEL 23 1 1H ACE 1 1HH3 ACE 1 24.139 5.930 -1.636 2 2H ACE 1 2HH3 ACE 1 24.750 5.683 0.039 3 3H ACE 1 3HH3 ACE 1 25.083 4.478 -1.236 4 H LYS 2 H LYS 2 22.099 6.135 -0.126 5 HA LYS 2 HA LYS 2 20.444 3.679 -0.200 6 1HB LYS 2 1HB LYS 2 21.043 2.751 1.733 7 2HB LYS 2 2HB LYS 2 22.013 4.112 2.250 8 1HG LYS 2 1HG LYS 2 18.960 4.403 2.522 9 2HG LYS 2 2HG LYS 2 19.690 3.163 3.509 10 1HD LYS 2 1HD LYS 2 21.391 5.439 3.920 11 2HD LYS 2 2HD LYS 2 19.773 6.137 3.826 12 1HE LYS 2 1HE LYS 2 19.919 5.614 6.121 13 2HE LYS 2 2HE LYS 2 19.015 4.213 5.519 14 1HZ LYS 2 1HZ LYS 2 21.985 3.828 5.422 15 2HZ LYS 2 2HZ LYS 2 21.404 4.082 6.910 16 3HZ LYS 2 3HZ LYS 2 20.846 2.844 6.130 17 H SER 3 H SER 3 18.931 4.904 -1.258 18 HA SER 3 HA SER 3 16.967 6.366 0.536 19 1HB SER 3 1HB SER 3 17.209 8.167 -1.602 20 2HB SER 3 2HB SER 3 17.793 8.420 0.026 21 HG SER 3 HG SER 3 19.160 7.653 -2.308 22 H GLU 4 H GLU 4 17.113 3.904 -1.371 23 HA GLU 4 HA GLU 4 14.621 4.149 -2.844 24 1HB GLU 4 1HB GLU 4 16.126 5.720 -4.219 25 2HB GLU 4 2HB GLU 4 16.901 4.259 -4.782 26 1HG GLU 4 1HG GLU 4 14.678 3.507 -5.831 27 2HG GLU 4 2HG GLU 4 13.926 4.999 -5.278 28 H GLU 5 H GLU 5 17.738 2.464 -2.909 29 HA GLU 5 HA GLU 5 17.162 0.136 -4.245 30 1HB GLU 5 1HB GLU 5 19.323 0.875 -3.043 31 2HB GLU 5 2HB GLU 5 18.773 -0.036 -1.668 32 1HG GLU 5 1HG GLU 5 18.606 -2.057 -3.548 33 2HG GLU 5 2HG GLU 5 19.811 -1.067 -4.351 34 H GLU 6 H GLU 6 16.669 0.102 -0.702 35 HA GLU 6 HA GLU 6 15.436 -2.589 -0.892 36 1HB GLU 6 1HB GLU 6 17.152 -1.561 0.848 37 2HB GLU 6 2HB GLU 6 15.726 -1.110 1.735 38 1HG GLU 6 1HG GLU 6 16.045 -3.181 2.753 39 2HG GLU 6 2HG GLU 6 15.138 -3.802 1.386 40 H LEU 7 H LEU 7 14.043 0.572 -0.559 41 HA LEU 7 HA LEU 7 11.239 -0.412 -0.079 42 1HB LEU 7 1HB LEU 7 12.293 2.230 -1.228 43 2HB LEU 7 2HB LEU 7 10.600 1.904 -0.946 44 HG LEU 7 HG LEU 7 12.257 3.190 0.838 45 1HD1 LEU 7 1HD1 LEU 7 9.769 3.202 0.857 46 2HD1 LEU 7 2HD1 LEU 7 9.724 1.551 1.528 47 3HD1 LEU 7 3HD1 LEU 7 10.394 2.898 2.485 48 1HD2 LEU 7 1HD2 LEU 7 12.069 0.258 1.856 49 2HD2 LEU 7 2HD2 LEU 7 13.561 1.173 1.505 50 3HD2 LEU 7 3HD2 LEU 7 12.531 1.663 2.852 51 H ALA 8 H ALA 8 13.162 0.309 -3.027 52 HA ALA 8 HA ALA 8 11.305 -0.628 -4.995 53 1HB ALA 8 1HB ALA 8 14.390 -0.856 -4.922 54 2HB ALA 8 2HB ALA 8 13.387 -1.028 -6.377 55 3HB ALA 8 3HB ALA 8 13.432 0.519 -5.522 56 H ASN 9 H ASN 9 14.020 -2.837 -4.087 57 HA ASN 9 HA ASN 9 12.987 -5.366 -4.436 58 1HB ASN 9 1HB ASN 9 14.481 -4.357 -1.920 59 2HB ASN 9 2HB ASN 9 14.179 -6.047 -2.210 60 1HD2 ASN 9 1HD2 ASN 9 16.736 -6.255 -4.723 61 2HD2 ASN 9 2HD2 ASN 9 15.189 -7.016 -4.137 62 H ALA 10 H ALA 10 11.998 -3.390 -1.642 63 HA ALA 10 HA ALA 10 9.983 -5.250 -0.486 64 1HB ALA 10 1HB ALA 10 11.082 -3.388 0.774 65 2HB ALA 10 2HB ALA 10 10.277 -2.175 -0.255 66 3HB ALA 10 3HB ALA 10 9.316 -3.221 0.813 67 H PHE 11 H PHE 11 9.730 -2.598 -2.868 68 HA PHE 11 HA PHE 11 6.841 -2.622 -3.194 69 1HB PHE 11 1HB PHE 11 8.339 -0.749 -3.856 70 2HB PHE 11 2HB PHE 11 9.046 -1.705 -5.114 71 HD1 PHE 11 HD1 PHE 11 5.357 -1.442 -4.363 72 HD2 PHE 11 HD2 PHE 11 8.518 -0.471 -7.117 73 HE1 PHE 11 HE1 PHE 11 3.708 -0.559 -5.961 74 HE2 PHE 11 HE2 PHE 11 6.849 0.386 -8.711 75 HZ PHE 11 HZ PHE 11 4.447 0.395 -8.108 76 H ARG 12 H ARG 12 9.279 -4.374 -5.176 77 HA ARG 12 HA ARG 12 7.261 -5.967 -6.594 78 1HB ARG 12 1HB ARG 12 10.276 -6.075 -6.298 79 2HB ARG 12 2HB ARG 12 9.483 -7.529 -6.893 80 1HG ARG 12 1HG ARG 12 8.264 -5.881 -8.615 81 2HG ARG 12 2HG ARG 12 9.511 -4.711 -8.163 82 1HD ARG 12 1HD ARG 12 10.871 -7.240 -8.700 83 2HD ARG 12 2HD ARG 12 9.715 -6.957 -10.030 84 HE ARG 12 HE ARG 12 11.595 -4.698 -9.135 85 1HH1 ARG 12 2HH1 ARG 12 10.497 -6.795 -11.665 86 2HH1 ARG 12 1HH1 ARG 12 11.459 -5.899 -12.937 87 1HH2 ARG 12 1HH2 ARG 12 12.619 -4.211 -12.321 88 2HH2 ARG 12 2HH2 ARG 12 12.638 -3.692 -10.572 89 H ILE 13 H ILE 13 8.821 -6.444 -3.482 90 HA ILE 13 HA ILE 13 8.354 -9.386 -3.240 91 HB ILE 13 HB ILE 13 9.253 -7.237 -1.269 92 1HG1 ILE 13 1HG1 ILE 13 10.872 -8.460 -3.030 93 2HG1 ILE 13 2HG1 ILE 13 11.409 -8.089 -1.414 94 1HG2 ILE 13 1HG2 ILE 13 7.847 -8.831 0.096 95 2HG2 ILE 13 2HG2 ILE 13 8.757 -10.220 -0.543 96 3HG2 ILE 13 3HG2 ILE 13 9.539 -9.029 0.514 97 1HD1 ILE 13 1HD1 ILE 13 10.953 -10.431 -0.616 98 2HD1 ILE 13 2HD1 ILE 13 10.457 -10.890 -2.264 99 3HD1 ILE 13 3HD1 ILE 13 12.125 -10.370 -1.952 100 H PHE 14 H PHE 14 6.617 -6.471 -2.296 101 HA PHE 14 HA PHE 14 4.139 -7.706 -1.157 102 1HB PHE 14 1HB PHE 14 4.801 -5.073 -2.593 103 2HB PHE 14 2HB PHE 14 3.143 -5.538 -2.406 104 HD1 PHE 14 HD1 PHE 14 6.202 -4.617 -0.480 105 HD2 PHE 14 HD2 PHE 14 1.980 -5.373 -0.250 106 HE1 PHE 14 HE1 PHE 14 6.144 -3.630 1.776 107 HE2 PHE 14 HE2 PHE 14 1.924 -4.365 1.996 108 HZ PHE 14 HZ PHE 14 3.997 -3.485 3.012 109 H ASP 15 H ASP 15 5.112 -6.748 -4.468 110 HA ASP 15 HA ASP 15 2.536 -7.357 -5.639 111 1HB ASP 15 1HB ASP 15 4.103 -5.625 -6.482 112 2HB ASP 15 2HB ASP 15 5.268 -6.843 -6.978 113 H LYS 16 H LYS 16 1.843 -8.896 -7.194 114 HA LYS 16 HA LYS 16 2.454 -11.670 -6.239 115 1HB LYS 16 1HB LYS 16 0.289 -10.386 -7.846 116 2HB LYS 16 2HB LYS 16 0.739 -11.942 -8.486 117 1HG LYS 16 1HG LYS 16 -0.133 -11.406 -5.551 118 2HG LYS 16 2HG LYS 16 -1.235 -11.880 -6.838 119 1HD LYS 16 1HD LYS 16 -0.858 -13.994 -5.963 120 2HD LYS 16 2HD LYS 16 0.439 -13.934 -7.154 121 1HE LYS 16 1HE LYS 16 1.614 -14.787 -5.332 122 2HE LYS 16 2HE LYS 16 2.028 -13.063 -5.231 123 1HZ LYS 16 1HZ LYS 16 -0.404 -14.185 -3.753 124 2HZ LYS 16 2HZ LYS 16 1.083 -14.056 -3.042 125 3HZ LYS 16 3HZ LYS 16 0.310 -12.718 -3.554 126 H ASN 17 H ASN 17 2.560 -10.028 -9.422 127 HA ASN 17 HA ASN 17 4.543 -12.133 -10.411 128 1HB ASN 17 1HB ASN 17 2.351 -10.942 -12.175 129 2HB ASN 17 2HB ASN 17 3.273 -12.399 -12.432 130 1HD2 ASN 17 1HD2 ASN 17 -0.138 -13.370 -11.443 131 2HD2 ASN 17 2HD2 ASN 17 0.430 -12.112 -12.589 132 H ALA 18 H ALA 18 4.416 -8.841 -9.973 133 HA ALA 18 HA ALA 18 6.237 -7.304 -10.330 134 1HB ALA 18 1HB ALA 18 7.458 -9.418 -9.690 135 2HB ALA 18 2HB ALA 18 7.544 -9.881 -11.404 136 3HB ALA 18 3HB ALA 18 8.406 -8.438 -10.843 137 H ASP 19 H ASP 19 4.313 -7.233 -12.504 138 HA ASP 19 HA ASP 19 5.939 -6.399 -14.857 139 1HB ASP 19 1HB ASP 19 3.655 -5.361 -15.571 140 2HB ASP 19 2HB ASP 19 3.729 -7.107 -15.373 141 H GLY 20 H GLY 20 5.301 -4.891 -11.850 142 1HA GLY 20 1HA GLY 20 7.126 -2.876 -11.537 143 2HA GLY 20 2HA GLY 20 6.220 -2.182 -12.892 144 H TYR 21 H TYR 21 3.786 -3.632 -11.278 145 HA TYR 21 HA TYR 21 3.012 -0.895 -10.088 146 1HB TYR 21 1HB TYR 21 1.113 -2.775 -11.632 147 2HB TYR 21 2HB TYR 21 0.696 -1.244 -10.914 148 HD1 TYR 21 HD1 TYR 21 2.464 -2.822 -13.794 149 HD2 TYR 21 HD2 TYR 21 1.189 0.876 -12.005 150 HE1 TYR 21 HE1 TYR 21 2.980 -1.608 -15.885 151 HE2 TYR 21 HE2 TYR 21 1.711 2.059 -14.103 152 HH TYR 21 HH TYR 21 3.390 1.587 -16.124 153 H ILE 22 H ILE 22 1.591 -0.932 -8.277 154 HA ILE 22 HA ILE 22 0.665 -3.659 -7.218 155 HB ILE 22 HB ILE 22 1.163 -1.052 -5.685 156 1HG1 ILE 22 1HG1 ILE 22 2.554 -3.791 -5.315 157 2HG1 ILE 22 2HG1 ILE 22 3.237 -2.477 -6.233 158 1HG2 ILE 22 1HG2 ILE 22 -0.857 -2.229 -4.704 159 2HG2 ILE 22 2HG2 ILE 22 0.072 -3.732 -4.544 160 3HG2 ILE 22 3HG2 ILE 22 0.489 -2.292 -3.579 161 1HD1 ILE 22 1HD1 ILE 22 3.230 -0.967 -4.181 162 2HD1 ILE 22 2HD1 ILE 22 2.725 -2.370 -3.206 163 3HD1 ILE 22 3HD1 ILE 22 4.285 -2.397 -4.054 164 H ASP 23 H ASP 23 -1.492 -4.015 -6.766 165 HA ASP 23 HA ASP 23 -3.369 -2.097 -8.248 166 1HB ASP 23 1HB ASP 23 -4.560 -4.241 -9.057 167 2HB ASP 23 2HB ASP 23 -2.973 -3.927 -9.744 168 H ILE 24 H ILE 24 -5.751 -2.787 -7.836 169 HA ILE 24 HA ILE 24 -6.394 -2.521 -4.904 170 HB ILE 24 HB ILE 24 -7.731 -1.617 -7.078 171 1HG1 ILE 24 1HG1 ILE 24 -9.520 -2.403 -4.718 172 2HG1 ILE 24 2HG1 ILE 24 -8.177 -1.335 -4.414 173 1HG2 ILE 24 1HG2 ILE 24 -8.465 -3.899 -7.912 174 2HG2 ILE 24 2HG2 ILE 24 -9.290 -4.211 -6.372 175 3HG2 ILE 24 3HG2 ILE 24 -9.861 -2.931 -7.472 176 1HD1 ILE 24 1HD1 ILE 24 -9.000 0.291 -6.193 177 2HD1 ILE 24 2HD1 ILE 24 -10.476 -0.694 -6.348 178 3HD1 ILE 24 3HD1 ILE 24 -10.097 0.092 -4.801 179 H GLU 25 H GLU 25 -6.026 -5.121 -7.185 180 HA GLU 25 HA GLU 25 -7.548 -7.191 -5.638 181 1HB GLU 25 1HB GLU 25 -6.785 -7.009 -8.262 182 2HB GLU 25 2HB GLU 25 -5.542 -8.076 -7.684 183 1HG GLU 25 1HG GLU 25 -7.249 -9.777 -6.962 184 2HG GLU 25 2HG GLU 25 -8.567 -8.678 -7.325 185 H GLU 26 H GLU 26 -4.230 -6.069 -5.716 186 HA GLU 26 HA GLU 26 -3.089 -8.427 -4.245 187 1HB GLU 26 1HB GLU 26 -1.007 -7.649 -4.699 188 2HB GLU 26 2HB GLU 26 -1.892 -7.009 -6.052 189 1HG GLU 26 1HG GLU 26 -0.596 -5.122 -5.512 190 2HG GLU 26 2HG GLU 26 -1.999 -4.741 -4.529 191 H LEU 27 H LEU 27 -3.801 -5.055 -3.411 192 HA LEU 27 HA LEU 27 -2.464 -4.743 -0.889 193 1HB LEU 27 1HB LEU 27 -3.509 -2.904 -2.134 194 2HB LEU 27 2HB LEU 27 -5.112 -3.539 -1.867 195 HG LEU 27 HG LEU 27 -3.457 -2.816 0.598 196 1HD1 LEU 27 1HD1 LEU 27 -3.129 -0.881 -0.946 197 2HD1 LEU 27 2HD1 LEU 27 -4.894 -0.709 -1.163 198 3HD1 LEU 27 3HD1 LEU 27 -4.135 -0.440 0.433 199 1HD2 LEU 27 1HD2 LEU 27 -6.486 -2.512 -0.043 200 2HD2 LEU 27 2HD2 LEU 27 -5.744 -3.810 0.939 201 3HD2 LEU 27 3HD2 LEU 27 -5.688 -2.138 1.510 202 H GLY 28 H GLY 28 -5.818 -5.960 -1.290 203 1HA GLY 28 1HA GLY 28 -6.582 -6.140 1.559 204 2HA GLY 28 2HA GLY 28 -7.317 -7.067 0.246 205 H GLU 29 H GLU 29 -5.095 -8.573 -0.612 206 HA GLU 29 HA GLU 29 -4.876 -10.637 1.488 207 1HB GLU 29 1HB GLU 29 -4.132 -12.091 -0.113 208 2HB GLU 29 2HB GLU 29 -5.131 -11.002 -1.028 209 1HG GLU 29 1HG GLU 29 -3.198 -9.981 -2.151 210 2HG GLU 29 2HG GLU 29 -2.058 -10.636 -0.990 211 H ILE 30 H ILE 30 -2.701 -8.119 0.486 212 HA ILE 30 HA ILE 30 -0.243 -8.919 1.974 213 HB ILE 30 HB ILE 30 -1.338 -6.218 1.076 214 1HG1 ILE 30 1HG1 ILE 30 0.409 -6.129 -0.525 215 2HG1 ILE 30 2HG1 ILE 30 1.462 -7.184 0.378 216 1HG2 ILE 30 1HG2 ILE 30 -0.216 -5.782 3.291 217 2HG2 ILE 30 2HG2 ILE 30 1.256 -6.618 2.731 218 3HG2 ILE 30 3HG2 ILE 30 0.727 -5.088 1.976 219 1HD1 ILE 30 1HD1 ILE 30 -0.979 -8.255 -1.189 220 2HD1 ILE 30 2HD1 ILE 30 0.731 -8.333 -1.665 221 3HD1 ILE 30 3HD1 ILE 30 0.175 -9.219 -0.231 222 H LEU 31 H LEU 31 -2.752 -6.549 2.925 223 HA LEU 31 HA LEU 31 -2.217 -6.423 5.749 224 1HB LEU 31 1HB LEU 31 -5.121 -6.310 4.949 225 2HB LEU 31 2HB LEU 31 -4.227 -5.272 6.033 226 HG LEU 31 HG LEU 31 -4.186 -5.168 2.962 227 1HD1 LEU 31 1HD1 LEU 31 -5.230 -3.202 5.110 228 2HD1 LEU 31 2HD1 LEU 31 -5.154 -2.872 3.358 229 3HD1 LEU 31 3HD1 LEU 31 -6.192 -4.169 3.958 230 1HD2 LEU 31 1HD2 LEU 31 -2.519 -3.482 4.965 231 2HD2 LEU 31 2HD2 LEU 31 -1.887 -4.575 3.702 232 3HD2 LEU 31 3HD2 LEU 31 -2.731 -3.094 3.237 233 H ARG 32 H ARG 32 -4.440 -8.702 4.161 234 HA ARG 32 HA ARG 32 -5.206 -10.043 6.697 235 1HB ARG 32 1HB ARG 32 -6.467 -9.481 4.439 236 2HB ARG 32 2HB ARG 32 -5.805 -11.001 3.839 237 1HG ARG 32 1HG ARG 32 -8.175 -11.147 4.794 238 2HG ARG 32 2HG ARG 32 -7.029 -12.279 5.535 239 1HD ARG 32 1HD ARG 32 -6.753 -10.852 7.539 240 2HD ARG 32 2HD ARG 32 -7.633 -9.506 6.781 241 HE ARG 32 HE ARG 32 -9.598 -11.456 6.644 242 1HH1 ARG 32 2HH1 ARG 32 -7.542 -10.689 9.337 243 2HH1 ARG 32 1HH1 ARG 32 -8.802 -11.225 10.547 244 1HH2 ARG 32 1HH2 ARG 32 -10.988 -12.060 8.036 245 2HH2 ARG 32 2HH2 ARG 32 -10.649 -11.963 9.825 246 H ALA 33 H ALA 33 -3.487 -11.291 3.809 247 HA ALA 33 HA ALA 33 -3.056 -13.922 5.206 248 1HB ALA 33 1HB ALA 33 -4.220 -13.787 3.010 249 2HB ALA 33 2HB ALA 33 -2.771 -13.081 2.246 250 3HB ALA 33 3HB ALA 33 -2.739 -14.747 2.864 251 H THR 34 H THR 34 -1.071 -11.333 5.094 252 HA THR 34 HA THR 34 1.474 -12.965 5.091 253 HB THR 34 HB THR 34 0.912 -11.478 2.793 254 HG1 THR 34 HG1 THR 34 3.403 -12.130 3.985 255 1HG2 THR 34 2HG2 THR 34 1.256 -9.311 4.153 256 2HG2 THR 34 3HG2 THR 34 2.934 -9.825 4.469 257 3HG2 THR 34 1HG2 THR 34 2.414 -9.486 2.809 258 H GLY 35 H GLY 35 3.001 -12.159 6.608 259 1HA GLY 35 1HA GLY 35 4.279 -10.134 7.538 260 2HA GLY 35 2HA GLY 35 2.751 -9.246 7.548 261 1HN NH2 36 1HN NH2 36 3.163 -12.629 8.831 262 2HN NH2 36 2HN NH2 36 2.865 -12.196 10.535 263 1H ACE 37 1HH3 ACE 37 -12.168 -3.622 14.205 264 2H ACE 37 2HH3 ACE 37 -10.860 -4.846 14.354 265 3H ACE 37 3HH3 ACE 37 -10.559 -3.150 14.815 266 H VAL 38 H VAL 38 -11.694 -5.008 11.986 267 HA VAL 38 HA VAL 38 -10.121 -3.290 10.011 268 HB VAL 38 HB VAL 38 -9.310 -6.187 10.080 269 1HG1 VAL 38 1HG1 VAL 38 -7.768 -3.542 9.551 270 2HG1 VAL 38 2HG1 VAL 38 -7.034 -5.160 9.471 271 3HG1 VAL 38 3HG1 VAL 38 -8.310 -4.713 8.335 272 1HG2 VAL 38 1HG2 VAL 38 -9.080 -5.599 12.533 273 2HG2 VAL 38 2HG2 VAL 38 -7.482 -5.771 11.775 274 3HG2 VAL 38 3HG2 VAL 38 -8.143 -4.151 12.103 275 H THR 39 H THR 39 -11.504 -3.106 8.334 276 HA THR 39 HA THR 39 -13.489 -5.359 7.742 277 HB THR 39 HB THR 39 -15.144 -3.356 7.130 278 HG1 THR 39 HG1 THR 39 -14.315 -2.213 9.467 279 1HG2 THR 39 2HG2 THR 39 -14.639 -4.300 10.041 280 2HG2 THR 39 3HG2 THR 39 -16.148 -3.568 9.441 281 3HG2 THR 39 1HG2 THR 39 -15.621 -5.148 8.824 282 H GLU 40 H GLU 40 -14.509 -4.992 5.549 283 HA GLU 40 HA GLU 40 -12.587 -4.287 3.362 284 1HB GLU 40 1HB GLU 40 -15.568 -4.752 2.991 285 2HB GLU 40 2HB GLU 40 -14.313 -4.874 1.796 286 1HG GLU 40 1HG GLU 40 -14.171 -6.804 4.179 287 2HG GLU 40 2HG GLU 40 -15.413 -7.081 2.971 288 H GLU 41 H GLU 41 -15.177 -2.574 5.036 289 HA GLU 41 HA GLU 41 -15.311 -0.236 3.391 290 1HB GLU 41 1HB GLU 41 -15.747 -0.383 6.408 291 2HB GLU 41 2HB GLU 41 -16.223 0.956 5.409 292 1HG GLU 41 1HG GLU 41 -17.543 -1.205 4.119 293 2HG GLU 41 2HG GLU 41 -17.589 -1.701 5.801 294 H ASP 42 H ASP 42 -13.023 -0.757 6.065 295 HA ASP 42 HA ASP 42 -11.744 1.837 5.970 296 1HB ASP 42 1HB ASP 42 -10.903 -0.896 7.079 297 2HB ASP 42 2HB ASP 42 -9.801 0.471 7.183 298 H ILE 43 H ILE 43 -10.882 -1.094 4.176 299 HA ILE 43 HA ILE 43 -8.446 0.029 2.811 300 HB ILE 43 HB ILE 43 -10.121 -2.474 2.388 301 1HG1 ILE 43 1HG1 ILE 43 -7.836 -3.634 2.548 302 2HG1 ILE 43 2HG1 ILE 43 -7.093 -2.090 2.866 303 1HG2 ILE 43 1HG2 ILE 43 -9.672 -1.659 0.040 304 2HG2 ILE 43 2HG2 ILE 43 -7.942 -1.493 0.400 305 3HG2 ILE 43 3HG2 ILE 43 -8.714 -3.098 0.362 306 1HD1 ILE 43 1HD1 ILE 43 -8.448 -1.786 4.983 307 2HD1 ILE 43 2HD1 ILE 43 -9.113 -3.427 4.768 308 3HD1 ILE 43 3HD1 ILE 43 -7.367 -3.197 5.008 309 H GLU 44 H GLU 44 -11.915 -0.281 2.001 310 HA GLU 44 HA GLU 44 -11.613 0.736 -0.801 311 1HB GLU 44 1HB GLU 44 -13.528 -0.288 -1.111 312 2HB GLU 44 2HB GLU 44 -13.568 -0.757 0.561 313 1HG GLU 44 1HG GLU 44 -15.379 0.621 1.020 314 2HG GLU 44 2HG GLU 44 -14.668 2.011 0.219 315 H ASP 45 H ASP 45 -12.463 2.147 2.301 316 HA ASP 45 HA ASP 45 -13.304 4.844 1.278 317 1HB ASP 45 1HB ASP 45 -12.677 3.700 4.060 318 2HB ASP 45 2HB ASP 45 -12.961 5.420 3.830 319 H LEU 46 H LEU 46 -10.322 3.513 2.698 320 HA LEU 46 HA LEU 46 -8.736 6.012 2.504 321 1HB LEU 46 1HB LEU 46 -8.296 4.142 4.088 322 2HB LEU 46 2HB LEU 46 -7.822 3.086 2.779 323 HG LEU 46 HG LEU 46 -6.099 4.701 4.349 324 1HD1 LEU 46 1HD1 LEU 46 -5.803 2.494 2.889 325 2HD1 LEU 46 2HD1 LEU 46 -5.212 3.605 1.645 326 3HD1 LEU 46 3HD1 LEU 46 -4.380 3.521 3.225 327 1HD2 LEU 46 1HD2 LEU 46 -6.912 6.540 2.466 328 2HD2 LEU 46 2HD2 LEU 46 -5.303 6.520 3.193 329 3HD2 LEU 46 3HD2 LEU 46 -5.551 5.792 1.579 330 H MET 47 H MET 47 -8.406 3.099 0.453 331 HA MET 47 HA MET 47 -6.627 4.208 -1.498 332 1HB MET 47 1HB MET 47 -7.013 1.810 -1.389 333 2HB MET 47 2HB MET 47 -8.717 1.983 -1.775 334 1HG MET 47 1HG MET 47 -7.336 1.167 -3.752 335 2HG MET 47 2HG MET 47 -8.271 2.634 -4.098 336 1HE MET 47 1HE MET 47 -5.335 0.988 -4.952 337 2HE MET 47 2HE MET 47 -6.137 2.087 -6.111 338 3HE MET 47 3HE MET 47 -4.424 2.358 -5.677 339 H LYS 48 H LYS 48 -10.199 4.173 -1.644 340 HA LYS 48 HA LYS 48 -10.293 5.463 -4.341 341 1HB LYS 48 1HB LYS 48 -12.491 4.659 -2.360 342 2HB LYS 48 2HB LYS 48 -12.843 5.214 -3.967 343 1HG LYS 48 1HG LYS 48 -11.642 3.157 -4.930 344 2HG LYS 48 2HG LYS 48 -11.112 2.711 -3.339 345 1HD LYS 48 1HD LYS 48 -12.901 1.394 -3.096 346 2HD LYS 48 2HD LYS 48 -13.906 2.790 -2.890 347 1HE LYS 48 1HE LYS 48 -13.770 2.558 -5.747 348 2HE LYS 48 2HE LYS 48 -13.663 0.885 -5.226 349 1HZ LYS 48 1HZ LYS 48 -15.770 2.552 -3.919 350 2HZ LYS 48 2HZ LYS 48 -16.090 2.103 -5.404 351 3HZ LYS 48 3HZ LYS 48 -15.836 0.953 -4.239 352 H ASP 49 H ASP 49 -10.433 6.629 -1.072 353 HA ASP 49 HA ASP 49 -11.191 9.466 -1.785 354 1HB ASP 49 1HB ASP 49 -11.498 8.784 0.541 355 2HB ASP 49 2HB ASP 49 -9.833 8.242 0.694 356 H SER 50 H SER 50 -8.109 7.721 -1.306 357 HA SER 50 HA SER 50 -6.335 10.040 -1.896 358 1HB SER 50 1HB SER 50 -5.945 7.034 -1.510 359 2HB SER 50 2HB SER 50 -4.639 7.942 -2.264 360 HG SER 50 HG SER 50 -4.747 7.712 0.144 361 H ASP 51 H ASP 51 -8.046 7.774 -3.885 362 HA ASP 51 HA ASP 51 -6.341 7.799 -6.250 363 1HB ASP 51 1HB ASP 51 -8.293 6.169 -5.453 364 2HB ASP 51 2HB ASP 51 -9.352 7.225 -6.376 365 H LYS 52 H LYS 52 -6.416 8.834 -8.194 366 HA LYS 52 HA LYS 52 -7.929 11.417 -8.640 367 1HB LYS 52 1HB LYS 52 -6.389 9.674 -10.634 368 2HB LYS 52 2HB LYS 52 -6.905 11.305 -10.934 369 1HG LYS 52 1HG LYS 52 -4.597 10.271 -9.163 370 2HG LYS 52 2HG LYS 52 -4.535 11.428 -10.454 371 1HD LYS 52 1HD LYS 52 -6.271 12.637 -8.504 372 2HD LYS 52 2HD LYS 52 -4.962 12.003 -7.564 373 1HE LYS 52 1HE LYS 52 -3.993 13.469 -10.039 374 2HE LYS 52 2HE LYS 52 -5.044 14.467 -9.037 375 1HZ LYS 52 1HZ LYS 52 -2.724 12.942 -7.762 376 2HZ LYS 52 2HZ LYS 52 -2.588 14.516 -8.259 377 3HZ LYS 52 3HZ LYS 52 -3.615 14.058 -7.076 378 H ASN 53 H ASN 53 -8.477 10.363 -11.474 379 HA ASN 53 HA ASN 53 -11.335 10.227 -10.963 380 1HB ASN 53 1HB ASN 53 -11.359 9.935 -13.632 381 2HB ASN 53 2HB ASN 53 -10.838 11.430 -12.907 382 1HD2 ASN 53 1HD2 ASN 53 -7.939 11.190 -14.894 383 2HD2 ASN 53 2HD2 ASN 53 -9.386 12.155 -14.359 384 H ASN 54 H ASN 54 -9.414 7.645 -10.590 385 HA ASN 54 HA ASN 54 -10.178 5.527 -9.743 386 1HB ASN 54 1HB ASN 54 -12.842 6.886 -10.488 387 2HB ASN 54 2HB ASN 54 -12.843 5.212 -10.007 388 1HD2 ASN 54 1HD2 ASN 54 -13.176 7.666 -7.070 389 2HD2 ASN 54 2HD2 ASN 54 -13.871 7.740 -8.751 390 H ASP 55 H ASP 55 -9.321 5.880 -12.566 391 HA ASP 55 HA ASP 55 -9.711 2.901 -12.960 392 1HB ASP 55 1HB ASP 55 -9.442 3.476 -15.601 393 2HB ASP 55 2HB ASP 55 -11.010 3.368 -14.813 394 H GLY 56 H GLY 56 -7.634 3.236 -11.579 395 1HA GLY 56 1HA GLY 56 -5.149 3.815 -13.168 396 2HA GLY 56 2HA GLY 56 -5.508 5.087 -11.993 397 H ARG 57 H ARG 57 -5.308 1.474 -11.962 398 HA ARG 57 HA ARG 57 -4.171 0.834 -9.529 399 1HB ARG 57 1HB ARG 57 -3.339 -0.007 -12.344 400 2HB ARG 57 2HB ARG 57 -2.456 -0.641 -10.956 401 1HG ARG 57 1HG ARG 57 -4.111 -2.304 -11.206 402 2HG ARG 57 2HG ARG 57 -4.901 -1.272 -10.016 403 1HD ARG 57 1HD ARG 57 -6.345 -0.235 -11.737 404 2HD ARG 57 2HD ARG 57 -5.349 -0.875 -13.043 405 HE ARG 57 HE ARG 57 -7.315 -2.537 -11.458 406 1HH1 ARG 57 2HH1 ARG 57 -4.537 -2.744 -13.518 407 2HH1 ARG 57 1HH1 ARG 57 -5.022 -4.427 -14.086 408 1HH2 ARG 57 1HH2 ARG 57 -7.728 -4.410 -11.987 409 2HH2 ARG 57 2HH2 ARG 57 -6.712 -5.359 -13.180 410 H ILE 58 H ILE 58 -1.985 0.563 -8.669 411 HA ILE 58 HA ILE 58 -0.821 3.366 -8.604 412 HB ILE 58 HB ILE 58 -0.964 1.134 -6.533 413 1HG1 ILE 58 1HG1 ILE 58 -2.011 4.039 -6.603 414 2HG1 ILE 58 2HG1 ILE 58 -2.959 2.579 -6.605 415 1HG2 ILE 58 1HG2 ILE 58 1.372 2.089 -6.329 416 2HG2 ILE 58 2HG2 ILE 58 0.710 3.731 -6.207 417 3HG2 ILE 58 3HG2 ILE 58 0.401 2.531 -4.930 418 1HD1 ILE 58 1HD1 ILE 58 -2.203 1.989 -4.256 419 2HD1 ILE 58 2HD1 ILE 58 -1.333 3.543 -4.175 420 3HD1 ILE 58 3HD1 ILE 58 -3.100 3.524 -4.365 421 H ASP 59 H ASP 59 1.266 3.839 -9.000 422 HA ASP 59 HA ASP 59 3.295 1.602 -9.449 423 1HB ASP 59 1HB ASP 59 4.466 3.258 -10.925 424 2HB ASP 59 2HB ASP 59 2.810 2.955 -11.432 425 H PHE 60 H PHE 60 5.668 2.742 -9.271 426 HA PHE 60 HA PHE 60 6.264 2.457 -6.447 427 1HB PHE 60 1HB PHE 60 7.785 2.097 -8.564 428 2HB PHE 60 2HB PHE 60 8.169 3.783 -8.458 429 HD1 PHE 60 HD1 PHE 60 7.692 1.961 -5.276 430 HD2 PHE 60 HD2 PHE 60 10.595 3.294 -8.147 431 HE1 PHE 60 HE1 PHE 60 9.478 1.611 -3.630 432 HE2 PHE 60 HE2 PHE 60 12.386 2.954 -6.481 433 HZ PHE 60 HZ PHE 60 11.832 2.088 -4.227 434 H ASP 61 H ASP 61 5.747 5.395 -8.289 435 HA ASP 61 HA ASP 61 6.616 7.501 -6.401 436 1HB ASP 61 1HB ASP 61 5.974 8.384 -8.505 437 2HB ASP 61 2HB ASP 61 4.689 7.217 -8.751 438 H GLU 62 H GLU 62 3.298 6.863 -7.142 439 HA GLU 62 HA GLU 62 1.729 7.420 -4.840 440 1HB GLU 62 1HB GLU 62 1.283 4.877 -6.448 441 2HB GLU 62 2HB GLU 62 0.097 5.800 -5.575 442 1HG GLU 62 1HG GLU 62 1.579 6.982 -8.024 443 2HG GLU 62 2HG GLU 62 0.119 6.026 -8.194 444 H PHE 63 H PHE 63 4.010 4.725 -5.035 445 HA PHE 63 HA PHE 63 3.116 3.312 -2.527 446 1HB PHE 63 1HB PHE 63 4.551 2.321 -4.447 447 2HB PHE 63 2HB PHE 63 5.891 3.240 -3.850 448 HD1 PHE 63 HD1 PHE 63 6.222 3.024 -1.098 449 HD2 PHE 63 HD2 PHE 63 4.728 -0.031 -3.735 450 HE1 PHE 63 HE1 PHE 63 7.051 1.305 0.418 451 HE2 PHE 63 HE2 PHE 63 5.566 -1.751 -2.186 452 HZ PHE 63 HZ PHE 63 6.693 -1.089 -0.084 453 H LEU 64 H LEU 64 5.999 5.329 -3.196 454 HA LEU 64 HA LEU 64 6.852 5.885 -0.533 455 1HB LEU 64 1HB LEU 64 7.026 7.611 -3.050 456 2HB LEU 64 2HB LEU 64 7.753 8.138 -1.552 457 HG LEU 64 HG LEU 64 8.477 5.443 -2.846 458 1HD1 LEU 64 1HD1 LEU 64 9.775 8.214 -3.319 459 2HD1 LEU 64 2HD1 LEU 64 10.501 6.654 -3.793 460 3HD1 LEU 64 3HD1 LEU 64 8.967 7.157 -4.509 461 1HD2 LEU 64 1HD2 LEU 64 9.945 7.205 -0.749 462 2HD2 LEU 64 2HD2 LEU 64 9.224 5.592 -0.478 463 3HD2 LEU 64 3HD2 LEU 64 10.638 5.760 -1.528 464 H LYS 65 H LYS 65 4.412 7.781 -2.317 465 HA LYS 65 HA LYS 65 3.870 9.671 -0.081 466 1HB LYS 65 1HB LYS 65 2.776 10.788 -1.728 467 2HB LYS 65 2HB LYS 65 3.704 9.734 -2.777 468 1HG LYS 65 1HG LYS 65 1.548 8.231 -2.897 469 2HG LYS 65 2HG LYS 65 0.723 9.505 -1.981 470 1HD LYS 65 1HD LYS 65 1.575 9.485 -4.833 471 2HD LYS 65 2HD LYS 65 0.260 10.399 -4.086 472 1HE LYS 65 1HE LYS 65 2.254 11.981 -3.191 473 2HE LYS 65 2HE LYS 65 3.256 11.107 -4.364 474 1HZ LYS 65 1HZ LYS 65 0.606 12.199 -5.304 475 2HZ LYS 65 2HZ LYS 65 1.823 13.243 -5.191 476 3HZ LYS 65 3HZ LYS 65 1.936 11.955 -6.215 477 H MET 66 H MET 66 2.386 6.615 -1.123 478 HA MET 66 HA MET 66 0.095 6.604 0.627 479 1HB MET 66 1HB MET 66 0.375 5.054 -1.278 480 2HB MET 66 2HB MET 66 1.754 4.285 -0.520 481 1HG MET 66 1HG MET 66 0.457 3.106 1.103 482 2HG MET 66 2HG MET 66 -0.946 4.178 0.938 483 1HE MET 66 1HE MET 66 1.120 1.213 -0.450 484 2HE MET 66 2HE MET 66 0.490 0.987 -2.109 485 3HE MET 66 3HE MET 66 1.456 2.440 -1.711 486 H MET 67 H MET 67 3.282 5.093 1.322 487 HA MET 67 HA MET 67 2.509 4.784 4.269 488 1HB MET 67 1HB MET 67 3.724 2.834 4.292 489 2HB MET 67 2HB MET 67 3.444 2.891 2.563 490 1HG MET 67 1HG MET 67 5.720 4.025 2.230 491 2HG MET 67 2HG MET 67 6.048 3.786 3.957 492 1HE MET 67 1HE MET 67 8.006 2.995 2.615 493 2HE MET 67 2HE MET 67 8.252 1.509 3.580 494 3HE MET 67 3HE MET 67 8.174 1.414 1.791 495 H GLU 68 H GLU 68 4.219 7.068 2.475 496 HA GLU 68 HA GLU 68 5.319 8.040 5.144 497 1HB GLU 68 1HB GLU 68 6.672 7.840 2.807 498 2HB GLU 68 2HB GLU 68 6.077 9.458 2.596 499 1HG GLU 68 1HG GLU 68 8.209 9.832 3.590 500 2HG GLU 68 2HG GLU 68 7.164 9.970 4.993 501 H GLY 69 H GLY 69 2.975 8.922 2.644 502 1HA GLY 69 1HA GLY 69 2.777 11.825 3.620 503 2HA GLY 69 2HA GLY 69 2.082 11.215 2.113 504 H VAL 70 H VAL 70 1.538 11.691 5.502 505 HA VAL 70 HA VAL 70 -1.244 10.386 5.355 506 HB VAL 70 HB VAL 70 0.628 9.164 6.800 507 1HG1 VAL 70 1HG1 VAL 70 -0.372 11.297 8.821 508 2HG1 VAL 70 2HG1 VAL 70 0.529 9.822 9.255 509 3HG1 VAL 70 3HG1 VAL 70 1.308 11.068 8.277 510 1HG2 VAL 70 1HG2 VAL 70 -1.791 8.435 6.700 511 2HG2 VAL 70 2HG2 VAL 70 -1.144 8.252 8.323 512 3HG2 VAL 70 3HG2 VAL 70 -2.228 9.623 7.947 513 H GLN 71 H GLN 71 -2.604 11.350 7.278 514 HA GLN 71 HA GLN 71 -3.111 14.084 7.092 515 1HB GLN 71 1HB GLN 71 -4.315 12.123 8.405 516 2HB GLN 71 2HB GLN 71 -3.466 12.756 9.813 517 1HG GLN 71 1HG GLN 71 -4.489 15.120 9.042 518 2HG GLN 71 2HG GLN 71 -5.594 14.174 8.062 519 1HE2 GLN 71 1HE2 GLN 71 -6.759 12.753 11.439 520 2HE2 GLN 71 2HE2 GLN 71 -5.632 12.025 10.167 521 1HN NH2 72 1HN NH2 72 -1.640 15.774 7.138 522 2HN NH2 72 2HN NH2 72 -0.553 16.134 8.506 No H/Q in entry = 522 Start of MODEL 24 1 1H ACE 1 1HH3 ACE 1 23.525 8.907 -3.693 2 2H ACE 1 2HH3 ACE 1 23.785 10.317 -2.606 3 3H ACE 1 3HH3 ACE 1 24.379 8.695 -2.148 4 H LYS 2 H LYS 2 21.278 10.163 -3.159 5 HA LYS 2 HA LYS 2 19.563 8.959 -1.047 6 1HB LYS 2 1HB LYS 2 17.677 9.529 -2.405 7 2HB LYS 2 2HB LYS 2 18.772 10.893 -2.448 8 1HG LYS 2 1HG LYS 2 19.571 9.678 -4.808 9 2HG LYS 2 2HG LYS 2 18.030 8.873 -4.663 10 1HD LYS 2 1HD LYS 2 17.933 10.946 -6.111 11 2HD LYS 2 2HD LYS 2 16.783 11.015 -4.775 12 1HE LYS 2 1HE LYS 2 17.957 12.658 -3.584 13 2HE LYS 2 2HE LYS 2 19.554 12.199 -4.202 14 1HZ LYS 2 1HZ LYS 2 18.175 13.068 -6.529 15 2HZ LYS 2 2HZ LYS 2 17.553 14.018 -5.377 16 3HZ LYS 2 3HZ LYS 2 19.100 14.096 -5.606 17 H SER 3 H SER 3 19.298 6.846 -0.741 18 HA SER 3 HA SER 3 19.995 4.875 -2.989 19 1HB SER 3 1HB SER 3 20.748 4.972 -0.061 20 2HB SER 3 2HB SER 3 20.524 3.386 -0.759 21 HG SER 3 HG SER 3 22.076 5.355 -2.119 22 H GLU 4 H GLU 4 18.339 3.811 -3.739 23 HA GLU 4 HA GLU 4 15.759 3.515 -2.129 24 1HB GLU 4 1HB GLU 4 15.347 2.666 -4.850 25 2HB GLU 4 2HB GLU 4 14.513 3.807 -3.822 26 1HG GLU 4 1HG GLU 4 17.059 4.839 -5.150 27 2HG GLU 4 2HG GLU 4 15.701 4.509 -6.218 28 H GLU 5 H GLU 5 18.316 1.916 -1.927 29 HA GLU 5 HA GLU 5 17.902 -0.770 -2.757 30 1HB GLU 5 1HB GLU 5 20.041 -0.235 -2.066 31 2HB GLU 5 2HB GLU 5 19.547 0.471 -0.558 32 1HG GLU 5 1HG GLU 5 18.899 -2.075 0.121 33 2HG GLU 5 2HG GLU 5 19.949 -2.510 -1.215 34 H GLU 6 H GLU 6 17.181 0.261 0.599 35 HA GLU 6 HA GLU 6 15.845 -2.224 1.407 36 1HB GLU 6 1HB GLU 6 16.600 -1.135 3.232 37 2HB GLU 6 2HB GLU 6 16.302 0.459 2.608 38 1HG GLU 6 1HG GLU 6 13.707 -0.076 3.103 39 2HG GLU 6 2HG GLU 6 14.326 -1.381 4.098 40 H LEU 7 H LEU 7 14.437 0.802 0.153 41 HA LEU 7 HA LEU 7 11.567 0.081 0.652 42 1HB LEU 7 1HB LEU 7 12.850 2.206 -1.152 43 2HB LEU 7 2HB LEU 7 11.125 2.034 -0.939 44 HG LEU 7 HG LEU 7 12.643 3.789 0.488 45 1HD1 LEU 7 1HD1 LEU 7 10.157 3.737 0.394 46 2HD1 LEU 7 2HD1 LEU 7 10.100 2.366 1.531 47 3HD1 LEU 7 3HD1 LEU 7 10.703 3.958 2.062 48 1HD2 LEU 7 1HD2 LEU 7 12.442 1.298 2.338 49 2HD2 LEU 7 2HD2 LEU 7 13.938 2.106 1.791 50 3HD2 LEU 7 3HD2 LEU 7 12.836 2.951 2.881 51 H ALA 8 H ALA 8 13.435 0.333 -2.396 52 HA ALA 8 HA ALA 8 11.465 -0.953 -4.073 53 1HB ALA 8 1HB ALA 8 14.502 -0.536 -4.498 54 2HB ALA 8 2HB ALA 8 13.336 -0.936 -5.776 55 3HB ALA 8 3HB ALA 8 13.197 0.601 -4.912 56 H ASN 9 H ASN 9 14.556 -2.563 -2.965 57 HA ASN 9 HA ASN 9 14.026 -5.275 -3.222 58 1HB ASN 9 1HB ASN 9 14.883 -3.795 -0.643 59 2HB ASN 9 2HB ASN 9 14.891 -5.532 -0.762 60 1HD2 ASN 9 1HD2 ASN 9 18.296 -4.346 -1.633 61 2HD2 ASN 9 2HD2 ASN 9 17.196 -4.303 -0.183 62 H ALA 10 H ALA 10 12.433 -3.426 -0.593 63 HA ALA 10 HA ALA 10 10.616 -5.571 0.216 64 1HB ALA 10 1HB ALA 10 11.426 -3.706 1.674 65 2HB ALA 10 2HB ALA 10 10.453 -2.526 0.758 66 3HB ALA 10 3HB ALA 10 9.654 -3.805 1.699 67 H PHE 11 H PHE 11 10.081 -2.888 -2.046 68 HA PHE 11 HA PHE 11 7.200 -3.275 -2.437 69 1HB PHE 11 1HB PHE 11 8.467 -1.167 -2.912 70 2HB PHE 11 2HB PHE 11 9.290 -1.928 -4.231 71 HD1 PHE 11 HD1 PHE 11 5.920 -0.714 -3.154 72 HD2 PHE 11 HD2 PHE 11 8.249 -2.147 -6.476 73 HE1 PHE 11 HE1 PHE 11 4.261 0.200 -4.724 74 HE2 PHE 11 HE2 PHE 11 6.588 -1.203 -8.032 75 HZ PHE 11 HZ PHE 11 4.591 -0.031 -7.154 76 H ARG 12 H ARG 12 9.933 -4.485 -4.436 77 HA ARG 12 HA ARG 12 8.326 -6.294 -6.067 78 1HB ARG 12 1HB ARG 12 10.945 -5.529 -6.101 79 2HB ARG 12 2HB ARG 12 11.161 -7.106 -5.350 80 1HG ARG 12 1HG ARG 12 9.590 -7.962 -7.383 81 2HG ARG 12 2HG ARG 12 10.057 -6.438 -8.149 82 1HD ARG 12 1HD ARG 12 11.612 -8.223 -8.880 83 2HD ARG 12 2HD ARG 12 12.506 -7.034 -7.893 84 HE ARG 12 HE ARG 12 11.409 -9.641 -6.674 85 1HH1 ARG 12 2HH1 ARG 12 13.970 -7.321 -6.939 86 2HH1 ARG 12 1HH1 ARG 12 15.020 -8.221 -5.743 87 1HH2 ARG 12 1HH2 ARG 12 12.612 -10.652 -5.370 88 2HH2 ARG 12 2HH2 ARG 12 14.263 -10.036 -4.901 89 H ILE 13 H ILE 13 9.693 -6.747 -2.835 90 HA ILE 13 HA ILE 13 9.287 -9.701 -2.697 91 HB ILE 13 HB ILE 13 10.098 -7.591 -0.651 92 1HG1 ILE 13 1HG1 ILE 13 11.895 -8.473 -2.222 93 2HG1 ILE 13 2HG1 ILE 13 12.241 -8.716 -0.531 94 1HG2 ILE 13 1HG2 ILE 13 8.668 -9.217 0.651 95 2HG2 ILE 13 2HG2 ILE 13 9.605 -10.589 0.013 96 3HG2 ILE 13 3HG2 ILE 13 10.350 -9.410 1.111 97 1HD1 ILE 13 1HD1 ILE 13 11.554 -11.134 -0.632 98 2HD1 ILE 13 2HD1 ILE 13 11.247 -10.968 -2.379 99 3HD1 ILE 13 3HD1 ILE 13 12.888 -10.745 -1.742 100 H PHE 14 H PHE 14 7.418 -6.872 -1.796 101 HA PHE 14 HA PHE 14 5.015 -8.303 -0.665 102 1HB PHE 14 1HB PHE 14 5.561 -5.494 -1.776 103 2HB PHE 14 2HB PHE 14 3.921 -6.034 -1.632 104 HD1 PHE 14 HD1 PHE 14 4.646 -7.760 1.034 105 HD2 PHE 14 HD2 PHE 14 5.101 -3.653 -0.139 106 HE1 PHE 14 HE1 PHE 14 4.526 -7.067 3.395 107 HE2 PHE 14 HE2 PHE 14 5.004 -2.969 2.225 108 HZ PHE 14 HZ PHE 14 4.734 -4.669 3.997 109 H ASP 15 H ASP 15 5.952 -7.013 -3.871 110 HA ASP 15 HA ASP 15 3.387 -7.391 -5.109 111 1HB ASP 15 1HB ASP 15 5.079 -5.756 -5.867 112 2HB ASP 15 2HB ASP 15 6.175 -7.030 -6.378 113 H LYS 16 H LYS 16 2.577 -8.871 -6.758 114 HA LYS 16 HA LYS 16 3.531 -11.679 -6.096 115 1HB LYS 16 1HB LYS 16 0.556 -10.889 -6.026 116 2HB LYS 16 2HB LYS 16 1.194 -12.482 -5.730 117 1HG LYS 16 1HG LYS 16 1.970 -11.870 -3.522 118 2HG LYS 16 2HG LYS 16 2.111 -10.167 -3.938 119 1HD LYS 16 1HD LYS 16 0.206 -10.493 -2.392 120 2HD LYS 16 2HD LYS 16 -0.324 -9.873 -3.954 121 1HE LYS 16 1HE LYS 16 -0.521 -12.873 -3.365 122 2HE LYS 16 2HE LYS 16 -1.820 -11.754 -2.906 123 1HZ LYS 16 1HZ LYS 16 -1.073 -11.055 -5.598 124 2HZ LYS 16 2HZ LYS 16 -1.212 -12.702 -5.571 125 3HZ LYS 16 3HZ LYS 16 -2.465 -11.775 -5.100 126 H ASN 17 H ASN 17 1.560 -9.595 -8.192 127 HA ASN 17 HA ASN 17 1.437 -11.632 -10.366 128 1HB ASN 17 1HB ASN 17 0.307 -8.784 -10.179 129 2HB ASN 17 2HB ASN 17 0.052 -9.819 -11.558 130 1HD2 ASN 17 1HD2 ASN 17 -2.515 -11.657 -9.883 131 2HD2 ASN 17 2HD2 ASN 17 -1.483 -11.559 -11.347 132 H ALA 18 H ALA 18 3.115 -8.496 -10.002 133 HA ALA 18 HA ALA 18 5.332 -7.945 -10.841 134 1HB ALA 18 1HB ALA 18 5.767 -10.427 -10.704 135 2HB ALA 18 2HB ALA 18 5.062 -10.635 -12.323 136 3HB ALA 18 3HB ALA 18 6.556 -9.701 -12.132 137 H ASP 19 H ASP 19 2.895 -6.924 -12.197 138 HA ASP 19 HA ASP 19 4.234 -6.129 -14.788 139 1HB ASP 19 1HB ASP 19 1.786 -4.694 -13.658 140 2HB ASP 19 2HB ASP 19 2.202 -5.035 -15.332 141 H GLY 20 H GLY 20 5.152 -5.439 -11.783 142 1HA GLY 20 1HA GLY 20 6.586 -3.580 -11.022 143 2HA GLY 20 2HA GLY 20 5.887 -2.553 -12.281 144 H TYR 21 H TYR 21 3.141 -3.628 -11.004 145 HA TYR 21 HA TYR 21 2.899 -1.078 -9.284 146 1HB TYR 21 1HB TYR 21 0.605 -2.234 -10.970 147 2HB TYR 21 2HB TYR 21 0.682 -0.689 -10.176 148 HD1 TYR 21 HD1 TYR 21 3.854 -0.567 -11.420 149 HD2 TYR 21 HD2 TYR 21 -0.148 -0.858 -12.970 150 HE1 TYR 21 HE1 TYR 21 4.568 0.518 -13.525 151 HE2 TYR 21 HE2 TYR 21 0.596 0.206 -15.064 152 HH TYR 21 HH TYR 21 2.824 0.368 -16.309 153 H ILE 22 H ILE 22 1.473 -1.100 -7.524 154 HA ILE 22 HA ILE 22 0.340 -3.777 -6.586 155 HB ILE 22 HB ILE 22 0.548 -1.175 -4.980 156 1HG1 ILE 22 1HG1 ILE 22 2.555 -3.482 -5.224 157 2HG1 ILE 22 2HG1 ILE 22 2.852 -1.766 -5.268 158 1HG2 ILE 22 1HG2 ILE 22 -1.208 -2.768 -4.082 159 2HG2 ILE 22 2HG2 ILE 22 -0.010 -4.074 -4.001 160 3HG2 ILE 22 3HG2 ILE 22 0.130 -2.639 -2.953 161 1HD1 ILE 22 1HD1 ILE 22 2.299 -1.551 -2.791 162 2HD1 ILE 22 2HD1 ILE 22 2.194 -3.328 -2.706 163 3HD1 ILE 22 3HD1 ILE 22 3.727 -2.551 -3.154 164 H ASP 23 H ASP 23 -1.779 -4.180 -6.380 165 HA ASP 23 HA ASP 23 -3.715 -2.149 -7.613 166 1HB ASP 23 1HB ASP 23 -4.953 -4.146 -8.543 167 2HB ASP 23 2HB ASP 23 -3.311 -4.000 -9.154 168 H ILE 24 H ILE 24 -6.083 -2.788 -7.095 169 HA ILE 24 HA ILE 24 -6.522 -2.237 -4.173 170 HB ILE 24 HB ILE 24 -8.031 -1.632 -6.365 171 1HG1 ILE 24 1HG1 ILE 24 -8.658 -1.672 -3.405 172 2HG1 ILE 24 2HG1 ILE 24 -8.627 -0.335 -4.522 173 1HG2 ILE 24 1HG2 ILE 24 -8.841 -4.005 -6.757 174 2HG2 ILE 24 2HG2 ILE 24 -9.518 -4.058 -5.117 175 3HG2 ILE 24 3HG2 ILE 24 -10.189 -2.959 -6.348 176 1HD1 ILE 24 1HD1 ILE 24 -10.840 -1.071 -5.544 177 2HD1 ILE 24 2HD1 ILE 24 -10.972 -2.303 -4.266 178 3HD1 ILE 24 3HD1 ILE 24 -10.937 -0.581 -3.832 179 H GLU 25 H GLU 25 -6.339 -5.070 -6.189 180 HA GLU 25 HA GLU 25 -7.733 -6.932 -4.294 181 1HB GLU 25 1HB GLU 25 -7.187 -6.995 -7.019 182 2HB GLU 25 2HB GLU 25 -6.051 -8.163 -6.418 183 1HG GLU 25 1HG GLU 25 -7.872 -9.589 -6.828 184 2HG GLU 25 2HG GLU 25 -8.245 -9.204 -5.158 185 H GLU 26 H GLU 26 -4.395 -6.057 -4.953 186 HA GLU 26 HA GLU 26 -3.180 -8.071 -3.090 187 1HB GLU 26 1HB GLU 26 -1.996 -5.690 -4.572 188 2HB GLU 26 2HB GLU 26 -1.067 -6.604 -3.423 189 1HG GLU 26 1HG GLU 26 -1.227 -8.673 -4.838 190 2HG GLU 26 2HG GLU 26 -2.357 -7.898 -5.934 191 H LEU 27 H LEU 27 -4.392 -4.819 -2.781 192 HA LEU 27 HA LEU 27 -2.858 -3.942 -0.467 193 1HB LEU 27 1HB LEU 27 -3.995 -2.431 -2.061 194 2HB LEU 27 2HB LEU 27 -5.569 -2.966 -1.529 195 HG LEU 27 HG LEU 27 -4.923 -0.699 -0.632 196 1HD1 LEU 27 1HD1 LEU 27 -6.649 -2.085 0.522 197 2HD1 LEU 27 2HD1 LEU 27 -5.403 -2.837 1.559 198 3HD1 LEU 27 3HD1 LEU 27 -5.755 -1.088 1.668 199 1HD2 LEU 27 1HD2 LEU 27 -2.857 -2.244 1.107 200 2HD2 LEU 27 2HD2 LEU 27 -2.474 -1.068 -0.186 201 3HD2 LEU 27 3HD2 LEU 27 -3.309 -0.525 1.274 202 H GLY 28 H GLY 28 -6.364 -4.647 -0.333 203 1HA GLY 28 1HA GLY 28 -7.078 -5.337 2.287 204 2HA GLY 28 2HA GLY 28 -7.431 -6.432 0.946 205 H GLU 29 H GLU 29 -5.613 -8.034 0.387 206 HA GLU 29 HA GLU 29 -5.537 -9.696 2.857 207 1HB GLU 29 1HB GLU 29 -4.854 -11.524 1.493 208 2HB GLU 29 2HB GLU 29 -6.159 -10.683 0.715 209 1HG GLU 29 1HG GLU 29 -4.752 -9.893 -1.102 210 2HG GLU 29 2HG GLU 29 -3.266 -10.108 -0.194 211 H ILE 30 H ILE 30 -3.265 -7.598 1.374 212 HA ILE 30 HA ILE 30 -0.766 -8.464 2.781 213 HB ILE 30 HB ILE 30 -1.660 -5.843 1.515 214 1HG1 ILE 30 1HG1 ILE 30 0.593 -7.853 0.903 215 2HG1 ILE 30 2HG1 ILE 30 -0.721 -7.361 -0.132 216 1HG2 ILE 30 1HG2 ILE 30 -0.424 -5.147 3.598 217 2HG2 ILE 30 2HG2 ILE 30 0.955 -6.184 3.151 218 3HG2 ILE 30 3HG2 ILE 30 0.522 -4.759 2.165 219 1HD1 ILE 30 1HD1 ILE 30 1.611 -5.457 0.573 220 2HD1 ILE 30 2HD1 ILE 30 1.363 -6.349 -0.943 221 3HD1 ILE 30 3HD1 ILE 30 0.213 -5.083 -0.468 222 H LEU 31 H LEU 31 -3.174 -5.918 3.510 223 HA LEU 31 HA LEU 31 -2.457 -5.509 6.390 224 1HB LEU 31 1HB LEU 31 -5.280 -5.077 5.421 225 2HB LEU 31 2HB LEU 31 -4.350 -4.133 6.561 226 HG LEU 31 HG LEU 31 -3.407 -4.042 3.677 227 1HD1 LEU 31 1HD1 LEU 31 -6.001 -2.674 4.661 228 2HD1 LEU 31 2HD1 LEU 31 -5.139 -2.288 3.147 229 3HD1 LEU 31 3HD1 LEU 31 -5.835 -3.896 3.370 230 1HD2 LEU 31 1HD2 LEU 31 -3.699 -1.917 5.919 231 2HD2 LEU 31 2HD2 LEU 31 -2.182 -2.658 5.340 232 3HD2 LEU 31 3HD2 LEU 31 -3.096 -1.586 4.274 233 H ARG 32 H ARG 32 -5.357 -7.124 5.058 234 HA ARG 32 HA ARG 32 -6.372 -8.151 7.470 235 1HB ARG 32 1HB ARG 32 -6.684 -8.586 4.556 236 2HB ARG 32 2HB ARG 32 -7.128 -10.038 5.450 237 1HG ARG 32 1HG ARG 32 -8.251 -7.497 6.626 238 2HG ARG 32 2HG ARG 32 -8.721 -7.756 4.936 239 1HD ARG 32 1HD ARG 32 -8.923 -10.172 6.799 240 2HD ARG 32 2HD ARG 32 -10.109 -8.871 7.050 241 HE ARG 32 HE ARG 32 -10.170 -9.199 4.237 242 1HH1 ARG 32 2HH1 ARG 32 -10.496 -11.519 6.803 243 2HH1 ARG 32 1HH1 ARG 32 -11.531 -12.620 5.776 244 1HH2 ARG 32 1HH2 ARG 32 -11.311 -10.479 3.101 245 2HH2 ARG 32 2HH2 ARG 32 -11.936 -12.053 3.777 246 H ALA 33 H ALA 33 -4.198 -9.991 5.303 247 HA ALA 33 HA ALA 33 -4.611 -12.556 6.431 248 1HB ALA 33 1HB ALA 33 -3.617 -12.101 4.194 249 2HB ALA 33 2HB ALA 33 -2.104 -11.526 4.945 250 3HB ALA 33 3HB ALA 33 -2.596 -13.226 5.105 251 H THR 34 H THR 34 -2.253 -10.211 7.750 252 HA THR 34 HA THR 34 -2.221 -12.047 10.197 253 HB THR 34 HB THR 34 -0.054 -11.354 10.774 254 HG1 THR 34 HG1 THR 34 -0.135 -9.302 8.817 255 1HG2 THR 34 2HG2 THR 34 -0.102 -12.698 8.573 256 2HG2 THR 34 3HG2 THR 34 0.015 -11.159 7.680 257 3HG2 THR 34 1HG2 THR 34 1.345 -11.668 8.734 258 H GLY 35 H GLY 35 -3.457 -11.349 11.837 259 1HA GLY 35 1HA GLY 35 -3.921 -8.544 12.611 260 2HA GLY 35 2HA GLY 35 -5.315 -9.093 11.675 261 1HN NH2 36 1HN NH2 36 -6.591 -11.020 12.486 262 2HN NH2 36 2HN NH2 36 -6.710 -11.235 14.253 263 1H ACE 37 1HH3 ACE 37 -11.010 -8.855 13.303 264 2H ACE 37 2HH3 ACE 37 -9.318 -8.538 12.786 265 3H ACE 37 3HH3 ACE 37 -10.008 -7.666 14.179 266 H VAL 38 H VAL 38 -10.979 -8.258 10.761 267 HA VAL 38 HA VAL 38 -11.562 -5.330 10.261 268 HB VAL 38 HB VAL 38 -9.675 -4.624 9.249 269 1HG1 VAL 38 1HG1 VAL 38 -8.448 -6.976 10.867 270 2HG1 VAL 38 2HG1 VAL 38 -7.507 -5.617 10.210 271 3HG1 VAL 38 3HG1 VAL 38 -8.731 -5.325 11.449 272 1HG2 VAL 38 1HG2 VAL 38 -9.727 -6.250 7.307 273 2HG2 VAL 38 2HG2 VAL 38 -8.062 -6.011 7.882 274 3HG2 VAL 38 3HG2 VAL 38 -8.952 -7.490 8.317 275 H THR 39 H THR 39 -12.309 -5.007 8.008 276 HA THR 39 HA THR 39 -13.446 -7.477 6.704 277 HB THR 39 HB THR 39 -15.124 -5.695 8.472 278 HG1 THR 39 HG1 THR 39 -14.663 -8.070 8.610 279 1HG2 THR 39 2HG2 THR 39 -16.183 -6.832 5.790 280 2HG2 THR 39 3HG2 THR 39 -17.192 -6.138 7.082 281 3HG2 THR 39 1HG2 THR 39 -16.038 -5.109 6.208 282 H GLU 40 H GLU 40 -14.821 -6.720 4.683 283 HA GLU 40 HA GLU 40 -12.523 -5.586 3.171 284 1HB GLU 40 1HB GLU 40 -15.197 -6.698 2.219 285 2HB GLU 40 2HB GLU 40 -13.981 -6.103 1.129 286 1HG GLU 40 1HG GLU 40 -12.371 -7.929 2.296 287 2HG GLU 40 2HG GLU 40 -13.866 -8.635 2.884 288 H GLU 41 H GLU 41 -15.714 -4.331 4.002 289 HA GLU 41 HA GLU 41 -15.670 -1.966 2.365 290 1HB GLU 41 1HB GLU 41 -17.097 -2.218 5.049 291 2HB GLU 41 2HB GLU 41 -17.468 -1.076 3.793 292 1HG GLU 41 1HG GLU 41 -19.040 -2.567 3.015 293 2HG GLU 41 2HG GLU 41 -17.743 -3.612 2.465 294 H ASP 42 H ASP 42 -14.495 -2.203 5.731 295 HA ASP 42 HA ASP 42 -13.537 0.539 5.927 296 1HB ASP 42 1HB ASP 42 -12.919 -2.030 7.496 297 2HB ASP 42 2HB ASP 42 -12.137 -0.512 7.913 298 H ILE 43 H ILE 43 -11.679 -2.379 4.969 299 HA ILE 43 HA ILE 43 -9.261 -1.057 4.067 300 HB ILE 43 HB ILE 43 -10.680 -3.531 2.998 301 1HG1 ILE 43 1HG1 ILE 43 -7.928 -4.083 3.712 302 2HG1 ILE 43 2HG1 ILE 43 -8.541 -3.055 4.980 303 1HG2 ILE 43 1HG2 ILE 43 -9.574 -2.524 0.963 304 2HG2 ILE 43 2HG2 ILE 43 -8.035 -2.385 1.835 305 3HG2 ILE 43 3HG2 ILE 43 -8.718 -3.982 1.442 306 1HD1 ILE 43 1HD1 ILE 43 -10.506 -4.597 5.388 307 2HD1 ILE 43 2HD1 ILE 43 -9.825 -5.745 4.205 308 3HD1 ILE 43 3HD1 ILE 43 -8.921 -5.347 5.682 309 H GLU 44 H GLU 44 -12.378 -1.329 2.354 310 HA GLU 44 HA GLU 44 -11.406 -0.001 -0.153 311 1HB GLU 44 1HB GLU 44 -13.908 -1.325 0.735 312 2HB GLU 44 2HB GLU 44 -14.195 0.045 -0.294 313 1HG GLU 44 1HG GLU 44 -12.088 -1.671 -1.506 314 2HG GLU 44 2HG GLU 44 -13.494 -2.639 -1.105 315 H ASP 45 H ASP 45 -13.028 1.054 2.767 316 HA ASP 45 HA ASP 45 -13.632 3.862 1.891 317 1HB ASP 45 1HB ASP 45 -13.666 2.362 4.563 318 2HB ASP 45 2HB ASP 45 -13.786 4.116 4.546 319 H LEU 46 H LEU 46 -10.983 2.283 3.653 320 HA LEU 46 HA LEU 46 -9.179 4.604 4.022 321 1HB LEU 46 1HB LEU 46 -8.901 2.379 5.099 322 2HB LEU 46 2HB LEU 46 -8.532 1.630 3.564 323 HG LEU 46 HG LEU 46 -6.448 3.219 3.416 324 1HD1 LEU 46 1HD1 LEU 46 -7.494 3.899 6.176 325 2HD1 LEU 46 2HD1 LEU 46 -5.721 3.792 5.965 326 3HD1 LEU 46 3HD1 LEU 46 -6.691 4.918 4.971 327 1HD2 LEU 46 1HD2 LEU 46 -6.575 0.669 4.263 328 2HD2 LEU 46 2HD2 LEU 46 -5.062 1.598 4.475 329 3HD2 LEU 46 3HD2 LEU 46 -6.198 1.371 5.838 330 H MET 47 H MET 47 -9.110 2.242 1.349 331 HA MET 47 HA MET 47 -6.980 3.718 -0.053 332 1HB MET 47 1HB MET 47 -6.999 1.303 -0.171 333 2HB MET 47 2HB MET 47 -8.640 1.254 -0.792 334 1HG MET 47 1HG MET 47 -7.075 0.786 -2.652 335 2HG MET 47 2HG MET 47 -7.911 2.318 -2.962 336 1HE MET 47 1HE MET 47 -5.156 1.022 -4.107 337 2HE MET 47 2HE MET 47 -5.843 2.526 -4.787 338 3HE MET 47 3HE MET 47 -4.126 2.484 -4.292 339 H LYS 48 H LYS 48 -10.473 3.935 -0.350 340 HA LYS 48 HA LYS 48 -10.352 5.717 -2.750 341 1HB LYS 48 1HB LYS 48 -12.404 4.757 -0.767 342 2HB LYS 48 2HB LYS 48 -12.804 6.266 -1.529 343 1HG LYS 48 1HG LYS 48 -12.983 5.211 -3.744 344 2HG LYS 48 2HG LYS 48 -11.934 3.903 -3.299 345 1HD LYS 48 1HD LYS 48 -13.563 2.563 -2.479 346 2HD LYS 48 2HD LYS 48 -14.365 3.798 -1.567 347 1HE LYS 48 1HE LYS 48 -15.945 2.946 -3.280 348 2HE LYS 48 2HE LYS 48 -15.527 4.587 -3.739 349 1HZ LYS 48 1HZ LYS 48 -13.567 3.313 -5.131 350 2HZ LYS 48 2HZ LYS 48 -14.709 2.114 -5.171 351 3HZ LYS 48 3HZ LYS 48 -14.994 3.614 -5.749 352 H ASP 49 H ASP 49 -10.244 6.200 0.750 353 HA ASP 49 HA ASP 49 -10.650 9.193 0.643 354 1HB ASP 49 1HB ASP 49 -11.383 7.648 2.594 355 2HB ASP 49 2HB ASP 49 -9.693 7.546 3.065 356 H SER 50 H SER 50 -7.891 6.986 0.799 357 HA SER 50 HA SER 50 -5.858 9.166 0.797 358 1HB SER 50 1HB SER 50 -5.656 6.660 1.645 359 2HB SER 50 2HB SER 50 -5.316 6.250 -0.034 360 HG SER 50 HG SER 50 -3.556 6.908 1.588 361 H ASP 51 H ASP 51 -7.157 6.999 -1.716 362 HA ASP 51 HA ASP 51 -5.282 7.825 -3.804 363 1HB ASP 51 1HB ASP 51 -6.477 5.562 -3.527 364 2HB ASP 51 2HB ASP 51 -7.936 6.295 -4.180 365 H LYS 52 H LYS 52 -5.501 10.185 -3.863 366 HA LYS 52 HA LYS 52 -8.233 11.453 -4.148 367 1HB LYS 52 1HB LYS 52 -7.011 12.707 -2.695 368 2HB LYS 52 2HB LYS 52 -5.457 12.327 -3.372 369 1HG LYS 52 1HG LYS 52 -7.370 14.196 -4.939 370 2HG LYS 52 2HG LYS 52 -6.613 14.805 -3.501 371 1HD LYS 52 1HD LYS 52 -4.308 14.167 -4.424 372 2HD LYS 52 2HD LYS 52 -5.018 13.765 -5.953 373 1HE LYS 52 1HE LYS 52 -5.683 16.151 -6.356 374 2HE LYS 52 2HE LYS 52 -5.413 16.568 -4.665 375 1HZ LYS 52 1HZ LYS 52 -2.934 16.091 -4.978 376 2HZ LYS 52 2HZ LYS 52 -3.175 15.771 -6.586 377 3HZ LYS 52 3HZ LYS 52 -3.436 17.247 -5.939 378 H ASN 53 H ASN 53 -5.295 10.980 -6.093 379 HA ASN 53 HA ASN 53 -6.008 12.478 -8.429 380 1HB ASN 53 1HB ASN 53 -4.204 11.219 -9.584 381 2HB ASN 53 2HB ASN 53 -3.718 11.593 -7.955 382 1HD2 ASN 53 1HD2 ASN 53 -3.517 7.811 -9.093 383 2HD2 ASN 53 2HD2 ASN 53 -3.724 9.222 -10.225 384 H ASN 54 H ASN 54 -7.482 9.554 -7.438 385 HA ASN 54 HA ASN 54 -8.841 7.864 -8.516 386 1HB ASN 54 1HB ASN 54 -9.606 10.561 -9.806 387 2HB ASN 54 2HB ASN 54 -10.443 9.102 -10.258 388 1HD2 ASN 54 1HD2 ASN 54 -11.941 10.935 -7.205 389 2HD2 ASN 54 2HD2 ASN 54 -11.112 11.630 -8.668 390 H ASP 55 H ASP 55 -6.783 6.899 -9.458 391 HA ASP 55 HA ASP 55 -7.516 6.316 -12.377 392 1HB ASP 55 1HB ASP 55 -4.916 7.118 -11.184 393 2HB ASP 55 2HB ASP 55 -4.766 5.613 -12.080 394 H GLY 56 H GLY 56 -7.049 5.021 -9.235 395 1HA GLY 56 1HA GLY 56 -7.948 2.911 -8.427 396 2HA GLY 56 2HA GLY 56 -8.218 2.434 -10.108 397 H ARG 57 H ARG 57 -4.944 3.216 -9.768 398 HA ARG 57 HA ARG 57 -4.048 0.747 -8.239 399 1HB ARG 57 1HB ARG 57 -2.632 0.029 -10.258 400 2HB ARG 57 2HB ARG 57 -4.367 -0.269 -10.354 401 1HG ARG 57 1HG ARG 57 -4.235 2.260 -11.544 402 2HG ARG 57 2HG ARG 57 -2.631 1.654 -11.951 403 1HD ARG 57 1HD ARG 57 -5.328 0.269 -12.623 404 2HD ARG 57 2HD ARG 57 -4.280 1.128 -13.751 405 HE ARG 57 HE ARG 57 -2.740 -0.987 -12.274 406 1HH1 ARG 57 2HH1 ARG 57 -4.657 -0.465 -15.114 407 2HH1 ARG 57 1HH1 ARG 57 -3.742 -1.773 -16.031 408 1HH2 ARG 57 1HH2 ARG 57 -1.924 -2.531 -13.228 409 2HH2 ARG 57 2HH2 ARG 57 -2.334 -2.966 -14.960 410 H ILE 58 H ILE 58 -1.894 0.667 -7.662 411 HA ILE 58 HA ILE 58 -0.729 3.447 -7.253 412 HB ILE 58 HB ILE 58 -0.703 0.945 -5.495 413 1HG1 ILE 58 1HG1 ILE 58 -1.936 3.751 -5.064 414 2HG1 ILE 58 2HG1 ILE 58 -2.818 2.288 -5.403 415 1HG2 ILE 58 1HG2 ILE 58 1.548 2.075 -5.228 416 2HG2 ILE 58 2HG2 ILE 58 0.750 3.621 -4.877 417 3HG2 ILE 58 3HG2 ILE 58 0.593 2.246 -3.759 418 1HD1 ILE 58 1HD1 ILE 58 -2.068 1.235 -3.222 419 2HD1 ILE 58 2HD1 ILE 58 -1.271 2.768 -2.786 420 3HD1 ILE 58 3HD1 ILE 58 -3.032 2.719 -3.018 421 H ASP 59 H ASP 59 1.226 3.984 -7.964 422 HA ASP 59 HA ASP 59 3.376 1.835 -8.349 423 1HB ASP 59 1HB ASP 59 4.330 3.257 -10.127 424 2HB ASP 59 2HB ASP 59 2.628 2.959 -10.449 425 H PHE 60 H PHE 60 5.715 3.183 -8.353 426 HA PHE 60 HA PHE 60 6.159 2.643 -5.504 427 1HB PHE 60 1HB PHE 60 7.770 2.372 -7.584 428 2HB PHE 60 2HB PHE 60 8.206 4.028 -7.324 429 HD1 PHE 60 HD1 PHE 60 8.144 3.959 -4.160 430 HD2 PHE 60 HD2 PHE 60 9.934 1.403 -7.112 431 HE1 PHE 60 HE1 PHE 60 9.929 3.353 -2.565 432 HE2 PHE 60 HE2 PHE 60 11.656 0.739 -5.492 433 HZ PHE 60 HZ PHE 60 11.654 1.695 -3.210 434 H ASP 61 H ASP 61 5.926 5.730 -7.230 435 HA ASP 61 HA ASP 61 6.440 7.696 -5.152 436 1HB ASP 61 1HB ASP 61 3.983 7.879 -7.078 437 2HB ASP 61 2HB ASP 61 5.194 9.055 -6.622 438 H GLU 62 H GLU 62 3.210 6.570 -5.975 439 HA GLU 62 HA GLU 62 1.770 7.237 -3.530 440 1HB GLU 62 1HB GLU 62 1.078 4.830 -5.255 441 2HB GLU 62 2HB GLU 62 0.008 5.761 -4.251 442 1HG GLU 62 1HG GLU 62 0.798 7.779 -5.997 443 2HG GLU 62 2HG GLU 62 1.049 6.397 -7.047 444 H PHE 63 H PHE 63 3.993 4.495 -3.952 445 HA PHE 63 HA PHE 63 3.220 2.948 -1.507 446 1HB PHE 63 1HB PHE 63 4.676 2.121 -3.451 447 2HB PHE 63 2HB PHE 63 5.945 3.174 -2.922 448 HD1 PHE 63 HD1 PHE 63 3.937 1.216 -0.379 449 HD2 PHE 63 HD2 PHE 63 7.536 1.340 -2.735 450 HE1 PHE 63 HE1 PHE 63 5.036 -0.345 1.185 451 HE2 PHE 63 HE2 PHE 63 8.595 -0.237 -1.191 452 HZ PHE 63 HZ PHE 63 7.403 -0.978 0.842 453 H LEU 64 H LEU 64 5.781 5.362 -2.130 454 HA LEU 64 HA LEU 64 6.863 5.631 0.538 455 1HB LEU 64 1HB LEU 64 6.676 7.669 -1.739 456 2HB LEU 64 2HB LEU 64 7.522 8.029 -0.255 457 HG LEU 64 HG LEU 64 8.268 5.599 -1.985 458 1HD1 LEU 64 1HD1 LEU 64 9.330 8.500 -2.196 459 2HD1 LEU 64 2HD1 LEU 64 10.096 7.076 -2.952 460 3HD1 LEU 64 3HD1 LEU 64 8.465 7.550 -3.435 461 1HD2 LEU 64 1HD2 LEU 64 9.843 7.177 0.179 462 2HD2 LEU 64 2HD2 LEU 64 9.258 5.492 0.294 463 3HD2 LEU 64 3HD2 LEU 64 10.535 5.905 -0.858 464 H LYS 65 H LYS 65 3.978 7.230 -0.777 465 HA LYS 65 HA LYS 65 3.314 8.603 1.813 466 1HB LYS 65 1HB LYS 65 2.323 8.309 -1.020 467 2HB LYS 65 2HB LYS 65 1.088 8.768 0.137 468 1HG LYS 65 1HG LYS 65 3.710 10.374 0.043 469 2HG LYS 65 2HG LYS 65 2.571 10.534 -1.307 470 1HD LYS 65 1HD LYS 65 1.422 10.647 1.495 471 2HD LYS 65 2HD LYS 65 2.348 12.063 0.987 472 1HE LYS 65 1HE LYS 65 -0.243 12.153 0.679 473 2HE LYS 65 2HE LYS 65 0.714 12.581 -0.751 474 1HZ LYS 65 1HZ LYS 65 0.496 10.046 -1.419 475 2HZ LYS 65 2HZ LYS 65 -0.613 9.901 -0.233 476 3HZ LYS 65 3HZ LYS 65 -0.927 10.877 -1.472 477 H MET 66 H MET 66 1.749 5.866 0.020 478 HA MET 66 HA MET 66 0.018 4.729 1.802 479 1HB MET 66 1HB MET 66 0.372 3.473 -0.156 480 2HB MET 66 2HB MET 66 2.112 3.442 0.030 481 1HG MET 66 1HG MET 66 2.078 1.390 1.001 482 2HG MET 66 2HG MET 66 0.983 1.937 2.286 483 1HE MET 66 1HE MET 66 1.013 -0.981 1.138 484 2HE MET 66 2HE MET 66 -0.020 -1.315 -0.284 485 3HE MET 66 3HE MET 66 1.517 -0.421 -0.486 486 H MET 67 H MET 67 3.467 3.773 2.126 487 HA MET 67 HA MET 67 3.356 2.885 4.970 488 1HB MET 67 1HB MET 67 5.240 2.125 3.627 489 2HB MET 67 2HB MET 67 5.633 3.751 3.106 490 1HG MET 67 1HG MET 67 6.069 4.224 5.726 491 2HG MET 67 2HG MET 67 6.266 2.462 5.799 492 1HE MET 67 1HE MET 67 7.181 1.365 3.559 493 2HE MET 67 2HE MET 67 7.600 2.487 2.230 494 3HE MET 67 3HE MET 67 8.899 1.662 3.150 495 H GLU 68 H GLU 68 5.154 5.795 3.806 496 HA GLU 68 HA GLU 68 5.216 6.713 6.669 497 1HB GLU 68 1HB GLU 68 6.904 7.109 4.271 498 2HB GLU 68 2HB GLU 68 6.737 8.561 5.210 499 1HG GLU 68 1HG GLU 68 7.624 7.312 7.278 500 2HG GLU 68 2HG GLU 68 7.817 5.864 6.307 501 H GLY 69 H GLY 69 2.978 7.220 4.390 502 1HA GLY 69 1HA GLY 69 1.316 9.212 4.235 503 2HA GLY 69 2HA GLY 69 1.008 8.202 5.657 504 H VAL 70 H VAL 70 1.715 11.322 4.555 505 HA VAL 70 HA VAL 70 1.972 12.397 7.425 506 HB VAL 70 HB VAL 70 3.948 12.686 5.767 507 1HG1 VAL 70 1HG1 VAL 70 2.105 14.914 4.638 508 2HG1 VAL 70 2HG1 VAL 70 3.852 14.771 4.313 509 3HG1 VAL 70 3HG1 VAL 70 2.747 13.521 3.734 510 1HG2 VAL 70 1HG2 VAL 70 3.801 13.964 7.943 511 2HG2 VAL 70 2HG2 VAL 70 4.539 14.943 6.686 512 3HG2 VAL 70 3HG2 VAL 70 2.840 15.238 7.161 513 H GLN 71 H GLN 71 -0.549 11.735 6.298 514 HA GLN 71 HA GLN 71 -1.851 14.018 4.856 515 1HB GLN 71 1HB GLN 71 -2.393 11.542 4.556 516 2HB GLN 71 2HB GLN 71 -3.170 11.562 6.138 517 1HG GLN 71 1HG GLN 71 -4.777 13.356 5.307 518 2HG GLN 71 2HG GLN 71 -4.003 13.365 3.734 519 1HE2 GLN 71 1HE2 GLN 71 -6.706 10.457 4.616 520 2HE2 GLN 71 2HE2 GLN 71 -5.984 11.527 5.941 521 1HN NH2 72 1HN NH2 72 -3.205 12.511 7.897 522 2HN NH2 72 2HN NH2 72 -3.377 14.043 8.795 No H/Q in entry = 522 Start of MODEL 25 1 1H ACE 1 1HH3 ACE 1 21.742 10.578 1.374 2 2H ACE 1 2HH3 ACE 1 21.461 11.313 -0.244 3 3H ACE 1 3HH3 ACE 1 21.420 12.321 1.230 4 H LYS 2 H LYS 2 19.639 9.655 -0.400 5 HA LYS 2 HA LYS 2 17.719 9.321 1.876 6 1HB LYS 2 1HB LYS 2 16.519 11.147 1.232 7 2HB LYS 2 2HB LYS 2 17.040 11.132 -0.439 8 1HG LYS 2 1HG LYS 2 15.323 9.327 -0.960 9 2HG LYS 2 2HG LYS 2 15.008 9.087 0.740 10 1HD LYS 2 1HD LYS 2 13.148 10.393 -0.009 11 2HD LYS 2 2HD LYS 2 14.157 11.582 0.818 12 1HE LYS 2 1HE LYS 2 13.303 12.384 -1.437 13 2HE LYS 2 2HE LYS 2 15.068 12.477 -1.304 14 1HZ LYS 2 1HZ LYS 2 13.994 9.893 -2.444 15 2HZ LYS 2 2HZ LYS 2 13.795 11.218 -3.350 16 3HZ LYS 2 3HZ LYS 2 15.264 10.814 -2.992 17 H SER 3 H SER 3 17.025 7.263 1.881 18 HA SER 3 HA SER 3 18.326 5.449 -0.174 19 1HB SER 3 1HB SER 3 18.295 5.466 2.562 20 2HB SER 3 2HB SER 3 16.987 4.336 2.305 21 HG SER 3 HG SER 3 18.359 3.067 0.995 22 H GLU 4 H GLU 4 17.281 3.973 -1.479 23 HA GLU 4 HA GLU 4 14.281 4.126 -1.691 24 1HB GLU 4 1HB GLU 4 14.195 4.760 -4.066 25 2HB GLU 4 2HB GLU 4 14.608 6.000 -2.906 26 1HG GLU 4 1HG GLU 4 16.742 6.401 -3.881 27 2HG GLU 4 2HG GLU 4 16.949 4.739 -4.421 28 H GLU 5 H GLU 5 17.243 2.715 -3.039 29 HA GLU 5 HA GLU 5 16.119 0.413 -4.268 30 1HB GLU 5 1HB GLU 5 18.711 -0.197 -3.164 31 2HB GLU 5 2HB GLU 5 18.221 0.208 -4.873 32 1HG GLU 5 1HG GLU 5 18.754 2.608 -4.425 33 2HG GLU 5 2HG GLU 5 19.189 2.242 -2.767 34 H GLU 6 H GLU 6 16.395 0.889 -0.870 35 HA GLU 6 HA GLU 6 16.057 -1.981 -0.052 36 1HB GLU 6 1HB GLU 6 17.080 0.066 1.295 37 2HB GLU 6 2HB GLU 6 15.436 0.338 1.791 38 1HG GLU 6 1HG GLU 6 15.390 -2.102 2.722 39 2HG GLU 6 2HG GLU 6 17.101 -2.218 2.353 40 H LEU 7 H LEU 7 13.845 0.821 0.151 41 HA LEU 7 HA LEU 7 11.283 -0.706 0.351 42 1HB LEU 7 1HB LEU 7 11.871 2.138 -0.639 43 2HB LEU 7 2HB LEU 7 10.260 1.486 -0.461 44 HG LEU 7 HG LEU 7 11.043 1.049 2.096 45 1HD1 LEU 7 1HD1 LEU 7 13.394 1.786 1.751 46 2HD1 LEU 7 2HD1 LEU 7 12.855 3.398 1.213 47 3HD1 LEU 7 3HD1 LEU 7 12.574 2.864 2.891 48 1HD2 LEU 7 1HD2 LEU 7 10.201 3.832 0.992 49 2HD2 LEU 7 2HD2 LEU 7 9.114 2.519 1.522 50 3HD2 LEU 7 3HD2 LEU 7 10.131 3.343 2.706 51 H ALA 8 H ALA 8 13.292 0.330 -2.426 52 HA ALA 8 HA ALA 8 11.827 -0.736 -4.589 53 1HB ALA 8 1HB ALA 8 14.860 -0.984 -4.024 54 2HB ALA 8 2HB ALA 8 14.097 -1.193 -5.613 55 3HB ALA 8 3HB ALA 8 14.025 0.379 -4.806 56 H ASN 9 H ASN 9 14.399 -2.933 -3.403 57 HA ASN 9 HA ASN 9 13.292 -5.440 -3.910 58 1HB ASN 9 1HB ASN 9 14.895 -4.635 -1.384 59 2HB ASN 9 2HB ASN 9 14.605 -6.288 -1.851 60 1HD2 ASN 9 1HD2 ASN 9 16.739 -5.183 -4.934 61 2HD2 ASN 9 2HD2 ASN 9 14.925 -5.087 -4.810 62 H ALA 10 H ALA 10 12.470 -3.573 -0.986 63 HA ALA 10 HA ALA 10 10.619 -5.483 0.276 64 1HB ALA 10 1HB ALA 10 11.722 -3.550 1.421 65 2HB ALA 10 2HB ALA 10 10.747 -2.394 0.478 66 3HB ALA 10 3HB ALA 10 9.962 -3.491 1.635 67 H PHE 11 H PHE 11 9.845 -2.674 -1.834 68 HA PHE 11 HA PHE 11 7.003 -3.168 -2.134 69 1HB PHE 11 1HB PHE 11 8.145 -1.031 -2.679 70 2HB PHE 11 2HB PHE 11 8.976 -1.762 -4.009 71 HD1 PHE 11 HD1 PHE 11 5.391 -1.061 -2.927 72 HD2 PHE 11 HD2 PHE 11 8.140 -1.557 -6.200 73 HE1 PHE 11 HE1 PHE 11 3.621 -0.439 -4.525 74 HE2 PHE 11 HE2 PHE 11 6.368 -0.900 -7.775 75 HZ PHE 11 HZ PHE 11 4.118 -0.332 -6.948 76 H ARG 12 H ARG 12 9.657 -4.428 -4.188 77 HA ARG 12 HA ARG 12 8.051 -6.277 -5.732 78 1HB ARG 12 1HB ARG 12 10.970 -6.351 -4.823 79 2HB ARG 12 2HB ARG 12 10.294 -7.700 -5.728 80 1HG ARG 12 1HG ARG 12 9.515 -5.877 -7.496 81 2HG ARG 12 2HG ARG 12 10.591 -4.759 -6.648 82 1HD ARG 12 1HD ARG 12 12.096 -5.556 -8.257 83 2HD ARG 12 2HD ARG 12 12.411 -6.748 -6.967 84 HE ARG 12 HE ARG 12 10.592 -7.253 -9.388 85 1HH1 ARG 12 2HH1 ARG 12 12.421 -8.537 -6.739 86 2HH1 ARG 12 1HH1 ARG 12 12.198 -10.259 -7.314 87 1HH2 ARG 12 1HH2 ARG 12 10.355 -9.182 -10.014 88 2HH2 ARG 12 2HH2 ARG 12 11.074 -10.589 -9.102 89 H ILE 13 H ILE 13 9.198 -6.613 -2.399 90 HA ILE 13 HA ILE 13 8.653 -9.538 -2.133 91 HB ILE 13 HB ILE 13 9.393 -7.346 -0.149 92 1HG1 ILE 13 1HG1 ILE 13 11.437 -8.084 -1.055 93 2HG1 ILE 13 2HG1 ILE 13 11.305 -9.094 0.359 94 1HG2 ILE 13 1HG2 ILE 13 7.782 -8.822 1.118 95 2HG2 ILE 13 2HG2 ILE 13 8.699 -10.271 0.644 96 3HG2 ILE 13 3HG2 ILE 13 9.408 -9.061 1.730 97 1HD1 ILE 13 1HD1 ILE 13 10.458 -11.043 -0.988 98 2HD1 ILE 13 2HD1 ILE 13 10.636 -10.084 -2.477 99 3HD1 ILE 13 3HD1 ILE 13 12.065 -10.488 -1.507 100 H PHE 14 H PHE 14 6.848 -6.585 -1.535 101 HA PHE 14 HA PHE 14 4.519 -7.706 -0.010 102 1HB PHE 14 1HB PHE 14 4.996 -5.153 -1.662 103 2HB PHE 14 2HB PHE 14 3.392 -5.572 -1.156 104 HD1 PHE 14 HD1 PHE 14 6.800 -5.350 0.501 105 HD2 PHE 14 HD2 PHE 14 2.593 -4.534 0.795 106 HE1 PHE 14 HE1 PHE 14 7.161 -4.243 2.671 107 HE2 PHE 14 HE2 PHE 14 2.964 -3.409 2.953 108 HZ PHE 14 HZ PHE 14 5.247 -3.227 3.880 109 H ASP 15 H ASP 15 4.987 -6.816 -3.455 110 HA ASP 15 HA ASP 15 2.419 -7.942 -4.303 111 1HB ASP 15 1HB ASP 15 3.525 -5.931 -5.302 112 2HB ASP 15 2HB ASP 15 4.814 -6.924 -5.964 113 H LYS 16 H LYS 16 2.013 -9.598 -5.941 114 HA LYS 16 HA LYS 16 3.124 -12.155 -4.836 115 1HB LYS 16 1HB LYS 16 1.102 -11.873 -7.136 116 2HB LYS 16 2HB LYS 16 1.447 -13.326 -6.241 117 1HG LYS 16 1HG LYS 16 0.369 -10.866 -4.736 118 2HG LYS 16 2HG LYS 16 -0.722 -11.735 -5.807 119 1HD LYS 16 1HD LYS 16 -1.167 -13.189 -4.115 120 2HD LYS 16 2HD LYS 16 0.464 -13.817 -4.345 121 1HE LYS 16 1HE LYS 16 0.148 -11.420 -2.495 122 2HE LYS 16 2HE LYS 16 -0.283 -13.031 -1.886 123 1HZ LYS 16 1HZ LYS 16 2.083 -13.615 -3.140 124 2HZ LYS 16 2HZ LYS 16 2.373 -12.039 -2.851 125 3HZ LYS 16 3HZ LYS 16 2.115 -13.056 -1.586 126 H ASN 17 H ASN 17 3.372 -10.234 -7.773 127 HA ASN 17 HA ASN 17 5.212 -12.295 -9.082 128 1HB ASN 17 1HB ASN 17 2.594 -11.109 -10.109 129 2HB ASN 17 2HB ASN 17 3.782 -11.692 -11.244 130 1HD2 ASN 17 1HD2 ASN 17 1.450 -14.370 -9.353 131 2HD2 ASN 17 2HD2 ASN 17 1.717 -12.790 -8.546 132 H ALA 18 H ALA 18 4.129 -8.884 -9.259 133 HA ALA 18 HA ALA 18 5.637 -7.005 -8.995 134 1HB ALA 18 1HB ALA 18 7.174 -8.708 -7.945 135 2HB ALA 18 2HB ALA 18 7.808 -9.121 -9.554 136 3HB ALA 18 3HB ALA 18 8.085 -7.500 -8.892 137 H ASP 19 H ASP 19 4.338 -7.370 -11.453 138 HA ASP 19 HA ASP 19 6.092 -6.208 -13.605 139 1HB ASP 19 1HB ASP 19 3.846 -7.386 -14.005 140 2HB ASP 19 2HB ASP 19 3.029 -6.007 -13.282 141 H GLY 20 H GLY 20 4.508 -5.027 -10.736 142 1HA GLY 20 1HA GLY 20 6.203 -3.405 -9.659 143 2HA GLY 20 2HA GLY 20 6.048 -2.412 -11.115 144 H TYR 21 H TYR 21 3.019 -3.597 -10.092 145 HA TYR 21 HA TYR 21 2.394 -1.077 -8.439 146 1HB TYR 21 1HB TYR 21 0.310 -2.736 -9.969 147 2HB TYR 21 2HB TYR 21 0.124 -1.151 -9.278 148 HD1 TYR 21 HD1 TYR 21 3.140 -2.017 -11.368 149 HD2 TYR 21 HD2 TYR 21 -0.758 -0.197 -11.321 150 HE1 TYR 21 HE1 TYR 21 3.587 -0.951 -13.555 151 HE2 TYR 21 HE2 TYR 21 -0.288 0.843 -13.505 152 HH TYR 21 HH TYR 21 1.188 0.370 -15.464 153 H ILE 22 H ILE 22 0.754 -1.283 -6.743 154 HA ILE 22 HA ILE 22 0.165 -4.121 -5.744 155 HB ILE 22 HB ILE 22 -0.114 -1.464 -4.237 156 1HG1 ILE 22 1HG1 ILE 22 2.058 -3.641 -4.091 157 2HG1 ILE 22 2HG1 ILE 22 2.264 -1.929 -4.345 158 1HG2 ILE 22 1HG2 ILE 22 -1.816 -3.158 -3.423 159 2HG2 ILE 22 2HG2 ILE 22 -0.531 -4.352 -3.161 160 3HG2 ILE 22 3HG2 ILE 22 -0.609 -2.865 -2.182 161 1HD1 ILE 22 1HD1 ILE 22 1.482 -1.426 -1.973 162 2HD1 ILE 22 2HD1 ILE 22 1.469 -3.180 -1.654 163 3HD1 ILE 22 3HD1 ILE 22 2.990 -2.369 -2.080 164 H ASP 23 H ASP 23 -2.014 -4.762 -5.291 165 HA ASP 23 HA ASP 23 -4.238 -2.797 -6.034 166 1HB ASP 23 1HB ASP 23 -5.613 -5.023 -6.248 167 2HB ASP 23 2HB ASP 23 -4.427 -4.649 -7.491 168 H ILE 24 H ILE 24 -6.254 -2.951 -4.842 169 HA ILE 24 HA ILE 24 -5.901 -2.618 -1.877 170 HB ILE 24 HB ILE 24 -7.702 -1.495 -3.486 171 1HG1 ILE 24 1HG1 ILE 24 -9.157 -0.912 -1.570 172 2HG1 ILE 24 2HG1 ILE 24 -8.650 -2.315 -0.669 173 1HG2 ILE 24 1HG2 ILE 24 -8.900 -3.624 -4.176 174 2HG2 ILE 24 2HG2 ILE 24 -9.312 -3.956 -2.482 175 3HG2 ILE 24 3HG2 ILE 24 -10.001 -2.549 -3.331 176 1HD1 ILE 24 1HD1 ILE 24 -6.269 -1.424 -0.523 177 2HD1 ILE 24 2HD1 ILE 24 -6.839 0.097 -1.252 178 3HD1 ILE 24 3HD1 ILE 24 -7.490 -0.429 0.314 179 H GLU 25 H GLU 25 -6.685 -5.251 -4.019 180 HA GLU 25 HA GLU 25 -7.891 -7.084 -1.976 181 1HB GLU 25 1HB GLU 25 -8.264 -7.078 -4.554 182 2HB GLU 25 2HB GLU 25 -6.770 -7.958 -4.671 183 1HG GLU 25 1HG GLU 25 -9.149 -9.242 -4.563 184 2HG GLU 25 2HG GLU 25 -7.719 -9.971 -3.854 185 H GLU 26 H GLU 26 -4.655 -6.433 -3.151 186 HA GLU 26 HA GLU 26 -3.329 -8.475 -1.396 187 1HB GLU 26 1HB GLU 26 -2.243 -6.188 -3.078 188 2HB GLU 26 2HB GLU 26 -1.214 -7.049 -1.975 189 1HG GLU 26 1HG GLU 26 -1.838 -9.251 -3.266 190 2HG GLU 26 2HG GLU 26 -2.646 -8.242 -4.451 191 H LEU 27 H LEU 27 -4.567 -5.303 -0.922 192 HA LEU 27 HA LEU 27 -2.564 -4.204 0.870 193 1HB LEU 27 1HB LEU 27 -4.127 -2.855 -0.482 194 2HB LEU 27 2HB LEU 27 -5.497 -3.397 0.452 195 HG LEU 27 HG LEU 27 -3.267 -1.944 1.949 196 1HD1 LEU 27 1HD1 LEU 27 -3.616 -0.566 -0.103 197 2HD1 LEU 27 2HD1 LEU 27 -5.373 -0.483 0.208 198 3HD1 LEU 27 3HD1 LEU 27 -4.204 0.264 1.335 199 1HD2 LEU 27 1HD2 LEU 27 -6.363 -1.874 2.238 200 2HD2 LEU 27 2HD2 LEU 27 -5.232 -2.806 3.263 201 3HD2 LEU 27 3HD2 LEU 27 -5.181 -1.040 3.285 202 H GLY 28 H GLY 28 -5.717 -5.626 1.767 203 1HA GLY 28 1HA GLY 28 -5.447 -5.292 4.738 204 2HA GLY 28 2HA GLY 28 -6.621 -6.326 3.914 205 H GLU 29 H GLU 29 -4.710 -7.924 2.449 206 HA GLU 29 HA GLU 29 -3.902 -9.882 4.496 207 1HB GLU 29 1HB GLU 29 -4.658 -10.862 2.561 208 2HB GLU 29 2HB GLU 29 -3.816 -9.782 1.491 209 1HG GLU 29 1HG GLU 29 -1.916 -11.154 1.372 210 2HG GLU 29 2HG GLU 29 -1.960 -11.584 3.072 211 H ILE 30 H ILE 30 -2.033 -7.511 2.695 212 HA ILE 30 HA ILE 30 0.679 -8.129 3.782 213 HB ILE 30 HB ILE 30 -0.553 -5.539 2.721 214 1HG1 ILE 30 1HG1 ILE 30 0.523 -5.893 0.687 215 2HG1 ILE 30 2HG1 ILE 30 1.918 -6.644 1.411 216 1HG2 ILE 30 1HG2 ILE 30 1.153 -4.896 4.462 217 2HG2 ILE 30 2HG2 ILE 30 2.377 -5.921 3.669 218 3HG2 ILE 30 3HG2 ILE 30 1.727 -4.472 2.853 219 1HD1 ILE 30 1HD1 ILE 30 -0.721 -8.189 0.948 220 2HD1 ILE 30 2HD1 ILE 30 0.770 -8.282 -0.013 221 3HD1 ILE 30 3HD1 ILE 30 0.774 -8.834 1.674 222 H LEU 31 H LEU 31 -1.842 -5.788 4.850 223 HA LEU 31 HA LEU 31 -0.155 -4.775 7.097 224 1HB LEU 31 1HB LEU 31 -1.917 -3.269 7.608 225 2HB LEU 31 2HB LEU 31 -1.827 -3.353 5.866 226 HG LEU 31 HG LEU 31 -3.808 -5.165 6.121 227 1HD1 LEU 31 1HD1 LEU 31 -4.037 -3.538 8.742 228 2HD1 LEU 31 2HD1 LEU 31 -5.319 -4.569 8.051 229 3HD1 LEU 31 3HD1 LEU 31 -3.796 -5.298 8.569 230 1HD2 LEU 31 1HD2 LEU 31 -4.229 -2.105 6.426 231 2HD2 LEU 31 2HD2 LEU 31 -4.147 -3.026 4.898 232 3HD2 LEU 31 3HD2 LEU 31 -5.508 -3.272 5.997 233 H ARG 32 H ARG 32 -2.542 -7.295 6.845 234 HA ARG 32 HA ARG 32 -2.794 -7.537 9.881 235 1HB ARG 32 1HB ARG 32 -4.687 -7.006 8.196 236 2HB ARG 32 2HB ARG 32 -4.584 -8.676 7.643 237 1HG ARG 32 1HG ARG 32 -4.783 -8.643 10.588 238 2HG ARG 32 2HG ARG 32 -5.996 -7.534 9.922 239 1HD ARG 32 1HD ARG 32 -7.324 -9.386 9.554 240 2HD ARG 32 2HD ARG 32 -6.248 -9.758 8.189 241 HE ARG 32 HE ARG 32 -5.313 -10.726 10.915 242 1HH1 ARG 32 2HH1 ARG 32 -6.786 -11.617 7.897 243 2HH1 ARG 32 1HH1 ARG 32 -6.461 -13.393 8.178 244 1HH2 ARG 32 1HH2 ARG 32 -4.974 -12.735 11.201 245 2HH2 ARG 32 2HH2 ARG 32 -5.489 -13.973 9.966 246 H ALA 33 H ALA 33 -1.654 -9.354 7.083 247 HA ALA 33 HA ALA 33 -1.278 -11.964 7.786 248 1HB ALA 33 1HB ALA 33 -0.223 -10.871 5.813 249 2HB ALA 33 2HB ALA 33 1.011 -10.108 6.853 250 3HB ALA 33 3HB ALA 33 0.961 -11.875 6.668 251 H THR 34 H THR 34 -0.768 -13.118 9.476 252 HA THR 34 HA THR 34 0.508 -11.889 11.887 253 HB THR 34 HB THR 34 -0.330 -14.789 11.971 254 HG1 THR 34 HG1 THR 34 -1.892 -13.035 10.809 255 1HG2 THR 34 2HG2 THR 34 0.335 -13.380 14.029 256 2HG2 THR 34 3HG2 THR 34 -1.086 -12.347 13.729 257 3HG2 THR 34 1HG2 THR 34 -1.310 -14.055 14.144 258 H GLY 35 H GLY 35 1.606 -14.151 13.126 259 1HA GLY 35 1HA GLY 35 3.203 -15.849 11.305 260 2HA GLY 35 2HA GLY 35 4.299 -14.824 12.239 261 1HN NH2 36 1HN NH2 36 2.447 -14.922 14.720 262 2HN NH2 36 2HN NH2 36 2.795 -16.518 15.437 263 1H ACE 37 1HH3 ACE 37 -16.813 -3.692 13.238 264 2H ACE 37 2HH3 ACE 37 -15.451 -4.240 14.275 265 3H ACE 37 3HH3 ACE 37 -16.289 -2.707 14.630 266 H VAL 38 H VAL 38 -14.357 -4.317 12.120 267 HA VAL 38 HA VAL 38 -13.877 -1.661 10.716 268 HB VAL 38 HB VAL 38 -11.576 -3.565 11.415 269 1HG1 VAL 38 1HG1 VAL 38 -11.557 -1.086 9.543 270 2HG1 VAL 38 2HG1 VAL 38 -10.092 -1.893 10.146 271 3HG1 VAL 38 3HG1 VAL 38 -11.205 -2.761 9.084 272 1HG2 VAL 38 1HG2 VAL 38 -12.097 -1.916 13.266 273 2HG2 VAL 38 2HG2 VAL 38 -10.539 -1.532 12.503 274 3HG2 VAL 38 3HG2 VAL 38 -11.986 -0.572 12.108 275 H THR 39 H THR 39 -15.050 -2.094 8.920 276 HA THR 39 HA THR 39 -15.320 -4.964 7.888 277 HB THR 39 HB THR 39 -17.049 -2.739 6.771 278 HG1 THR 39 HG1 THR 39 -18.278 -3.968 8.798 279 1HG2 THR 39 2HG2 THR 39 -17.568 -5.691 7.561 280 2HG2 THR 39 3HG2 THR 39 -18.747 -4.614 6.775 281 3HG2 THR 39 1HG2 THR 39 -17.268 -5.089 5.914 282 H GLU 40 H GLU 40 -15.804 -4.737 5.321 283 HA GLU 40 HA GLU 40 -13.202 -3.921 4.071 284 1HB GLU 40 1HB GLU 40 -15.613 -5.137 2.657 285 2HB GLU 40 2HB GLU 40 -13.998 -5.010 2.029 286 1HG GLU 40 1HG GLU 40 -13.153 -6.719 3.659 287 2HG GLU 40 2HG GLU 40 -14.682 -6.736 4.518 288 H GLU 41 H GLU 41 -16.588 -2.810 3.656 289 HA GLU 41 HA GLU 41 -16.106 -0.613 1.922 290 1HB GLU 41 1HB GLU 41 -18.323 -1.268 2.293 291 2HB GLU 41 2HB GLU 41 -18.236 -1.103 4.020 292 1HG GLU 41 1HG GLU 41 -18.617 1.269 3.964 293 2HG GLU 41 2HG GLU 41 -17.973 1.461 2.344 294 H ASP 42 H ASP 42 -15.551 -0.605 5.405 295 HA ASP 42 HA ASP 42 -14.946 2.338 5.626 296 1HB ASP 42 1HB ASP 42 -14.602 -0.029 7.573 297 2HB ASP 42 2HB ASP 42 -14.135 1.617 7.977 298 H ILE 43 H ILE 43 -13.072 -0.647 5.233 299 HA ILE 43 HA ILE 43 -10.397 0.691 5.044 300 HB ILE 43 HB ILE 43 -11.383 -2.100 4.339 301 1HG1 ILE 43 1HG1 ILE 43 -8.927 -1.461 6.067 302 2HG1 ILE 43 2HG1 ILE 43 -10.518 -1.270 6.752 303 1HG2 ILE 43 1HG2 ILE 43 -9.786 -1.540 2.465 304 2HG2 ILE 43 2HG2 ILE 43 -8.553 -1.025 3.634 305 3HG2 ILE 43 3HG2 ILE 43 -9.055 -2.731 3.530 306 1HD1 ILE 43 1HD1 ILE 43 -11.105 -3.682 6.255 307 2HD1 ILE 43 2HD1 ILE 43 -9.436 -3.951 5.689 308 3HD1 ILE 43 3HD1 ILE 43 -9.739 -3.483 7.376 309 H GLU 44 H GLU 44 -13.013 -0.006 2.805 310 HA GLU 44 HA GLU 44 -11.516 0.713 0.309 311 1HB GLU 44 1HB GLU 44 -14.237 -0.287 0.961 312 2HB GLU 44 2HB GLU 44 -14.210 0.810 -0.386 313 1HG GLU 44 1HG GLU 44 -12.066 -1.055 -0.939 314 2HG GLU 44 2HG GLU 44 -13.361 -2.038 -0.281 315 H ASP 45 H ASP 45 -13.563 2.426 2.578 316 HA ASP 45 HA ASP 45 -13.606 5.056 1.125 317 1HB ASP 45 1HB ASP 45 -14.345 4.123 3.951 318 2HB ASP 45 2HB ASP 45 -14.225 5.841 3.599 319 H LEU 46 H LEU 46 -11.587 3.594 3.656 320 HA LEU 46 HA LEU 46 -9.533 5.705 3.989 321 1HB LEU 46 1HB LEU 46 -9.758 3.674 5.412 322 2HB LEU 46 2HB LEU 46 -9.275 2.639 4.089 323 HG LEU 46 HG LEU 46 -6.964 3.613 4.083 324 1HD1 LEU 46 1HD1 LEU 46 -7.782 5.951 4.958 325 2HD1 LEU 46 2HD1 LEU 46 -7.689 5.216 6.584 326 3HD1 LEU 46 3HD1 LEU 46 -6.230 5.326 5.589 327 1HD2 LEU 46 1HD2 LEU 46 -7.861 1.770 5.937 328 2HD2 LEU 46 2HD2 LEU 46 -6.177 2.373 5.894 329 3HD2 LEU 46 3HD2 LEU 46 -7.327 3.079 7.032 330 H MET 47 H MET 47 -9.538 3.011 1.651 331 HA MET 47 HA MET 47 -7.119 3.777 0.269 332 1HB MET 47 1HB MET 47 -7.823 1.539 -0.037 333 2HB MET 47 2HB MET 47 -9.464 1.986 -0.469 334 1HG MET 47 1HG MET 47 -8.272 1.177 -2.495 335 2HG MET 47 2HG MET 47 -8.715 2.882 -2.693 336 1HE MET 47 1HE MET 47 -6.352 0.593 -3.710 337 2HE MET 47 2HE MET 47 -6.715 2.041 -4.694 338 3HE MET 47 3HE MET 47 -5.031 1.713 -4.192 339 H LYS 48 H LYS 48 -10.497 4.518 -0.629 340 HA LYS 48 HA LYS 48 -9.732 6.018 -3.103 341 1HB LYS 48 1HB LYS 48 -12.466 5.729 -1.746 342 2HB LYS 48 2HB LYS 48 -12.232 6.259 -3.383 343 1HG LYS 48 1HG LYS 48 -11.488 3.422 -2.305 344 2HG LYS 48 2HG LYS 48 -13.010 3.811 -3.042 345 1HD LYS 48 1HD LYS 48 -10.348 4.132 -4.541 346 2HD LYS 48 2HD LYS 48 -11.284 2.678 -4.646 347 1HE LYS 48 1HE LYS 48 -13.128 3.866 -5.852 348 2HE LYS 48 2HE LYS 48 -12.493 5.437 -5.395 349 1HZ LYS 48 1HZ LYS 48 -11.005 3.557 -7.265 350 2HZ LYS 48 2HZ LYS 48 -11.790 4.924 -7.690 351 3HZ LYS 48 3HZ LYS 48 -10.473 5.062 -6.820 352 H ASP 49 H ASP 49 -10.323 6.902 0.205 353 HA ASP 49 HA ASP 49 -10.209 9.883 -0.264 354 1HB ASP 49 1HB ASP 49 -11.112 8.835 1.881 355 2HB ASP 49 2HB ASP 49 -9.484 8.318 2.295 356 H SER 50 H SER 50 -7.757 7.577 0.963 357 HA SER 50 HA SER 50 -5.476 9.215 0.868 358 1HB SER 50 1HB SER 50 -5.753 6.184 0.452 359 2HB SER 50 2HB SER 50 -4.159 6.933 0.411 360 HG SER 50 HG SER 50 -4.461 6.426 2.485 361 H ASP 51 H ASP 51 -6.862 7.525 -1.901 362 HA ASP 51 HA ASP 51 -4.520 7.752 -3.657 363 1HB ASP 51 1HB ASP 51 -6.337 5.940 -3.680 364 2HB ASP 51 2HB ASP 51 -7.424 7.081 -4.461 365 H LYS 52 H LYS 52 -3.746 9.530 -4.524 366 HA LYS 52 HA LYS 52 -5.150 12.167 -4.619 367 1HB LYS 52 1HB LYS 52 -2.499 11.088 -5.696 368 2HB LYS 52 2HB LYS 52 -2.972 12.723 -6.043 369 1HG LYS 52 1HG LYS 52 -1.786 11.542 -3.556 370 2HG LYS 52 2HG LYS 52 -1.746 13.183 -4.119 371 1HD LYS 52 1HD LYS 52 -4.128 13.564 -3.292 372 2HD LYS 52 2HD LYS 52 -4.153 11.995 -2.557 373 1HE LYS 52 1HE LYS 52 -2.570 14.516 -1.742 374 2HE LYS 52 2HE LYS 52 -3.589 13.479 -0.747 375 1HZ LYS 52 1HZ LYS 52 -1.705 11.625 -1.266 376 2HZ LYS 52 2HZ LYS 52 -0.731 12.940 -1.523 377 3HZ LYS 52 3HZ LYS 52 -1.492 12.679 -0.103 378 H ASN 53 H ASN 53 -3.557 10.867 -7.479 379 HA ASN 53 HA ASN 53 -5.330 12.209 -9.290 380 1HB ASN 53 1HB ASN 53 -4.071 10.982 -11.115 381 2HB ASN 53 2HB ASN 53 -3.019 11.675 -9.912 382 1HD2 ASN 53 1HD2 ASN 53 -2.962 7.669 -10.469 383 2HD2 ASN 53 2HD2 ASN 53 -4.203 8.711 -11.298 384 H ASN 54 H ASN 54 -6.054 9.283 -7.739 385 HA ASN 54 HA ASN 54 -8.096 8.016 -7.742 386 1HB ASN 54 1HB ASN 54 -8.918 10.534 -9.322 387 2HB ASN 54 2HB ASN 54 -10.048 9.225 -9.115 388 1HD2 ASN 54 1HD2 ASN 54 -9.797 11.855 -6.192 389 2HD2 ASN 54 2HD2 ASN 54 -9.227 12.112 -7.902 390 H ASP 55 H ASP 55 -6.767 6.430 -8.983 391 HA ASP 55 HA ASP 55 -8.434 5.599 -11.418 392 1HB ASP 55 1HB ASP 55 -6.571 5.365 -12.742 393 2HB ASP 55 2HB ASP 55 -5.862 6.522 -11.624 394 H GLY 56 H GLY 56 -7.195 4.673 -8.363 395 1HA GLY 56 1HA GLY 56 -8.313 2.952 -7.026 396 2HA GLY 56 2HA GLY 56 -8.875 2.189 -8.518 397 H ARG 57 H ARG 57 -5.561 2.614 -8.780 398 HA ARG 57 HA ARG 57 -4.695 0.331 -6.998 399 1HB ARG 57 1HB ARG 57 -3.459 -0.789 -8.972 400 2HB ARG 57 2HB ARG 57 -5.201 -1.031 -8.852 401 1HG ARG 57 1HG ARG 57 -5.590 0.737 -10.619 402 2HG ARG 57 2HG ARG 57 -3.866 1.097 -10.676 403 1HD ARG 57 1HD ARG 57 -4.859 -0.510 -12.530 404 2HD ARG 57 2HD ARG 57 -3.324 -0.947 -11.783 405 HE ARG 57 HE ARG 57 -4.288 -2.783 -10.569 406 1HH1 ARG 57 2HH1 ARG 57 -6.907 -0.877 -11.803 407 2HH1 ARG 57 1HH1 ARG 57 -8.127 -2.186 -11.372 408 1HH2 ARG 57 1HH2 ARG 57 -5.644 -4.146 -10.059 409 2HH2 ARG 57 2HH2 ARG 57 -7.435 -3.950 -10.396 410 H ILE 58 H ILE 58 -2.427 0.150 -6.673 411 HA ILE 58 HA ILE 58 -1.351 2.985 -6.486 412 HB ILE 58 HB ILE 58 -1.089 0.574 -4.627 413 1HG1 ILE 58 1HG1 ILE 58 -2.388 3.353 -4.227 414 2HG1 ILE 58 2HG1 ILE 58 -3.235 1.844 -4.415 415 1HG2 ILE 58 1HG2 ILE 58 1.135 1.787 -4.594 416 2HG2 ILE 58 2HG2 ILE 58 0.313 3.321 -4.248 417 3HG2 ILE 58 3HG2 ILE 58 0.295 1.996 -3.061 418 1HD1 ILE 58 1HD1 ILE 58 -2.263 0.938 -2.256 419 2HD1 ILE 58 2HD1 ILE 58 -1.495 2.521 -1.969 420 3HD1 ILE 58 3HD1 ILE 58 -3.266 2.396 -2.046 421 H ASP 59 H ASP 59 0.763 3.537 -6.879 422 HA ASP 59 HA ASP 59 2.693 1.408 -7.916 423 1HB ASP 59 1HB ASP 59 3.712 3.242 -9.249 424 2HB ASP 59 2HB ASP 59 1.985 3.124 -9.555 425 H PHE 60 H PHE 60 5.065 2.771 -7.817 426 HA PHE 60 HA PHE 60 6.060 2.066 -5.133 427 1HB PHE 60 1HB PHE 60 7.324 2.052 -7.407 428 2HB PHE 60 2HB PHE 60 7.525 3.763 -7.238 429 HD1 PHE 60 HD1 PHE 60 7.753 2.176 -3.968 430 HD2 PHE 60 HD2 PHE 60 9.998 3.034 -7.528 431 HE1 PHE 60 HE1 PHE 60 9.862 1.874 -2.722 432 HE2 PHE 60 HE2 PHE 60 12.089 2.727 -6.285 433 HZ PHE 60 HZ PHE 60 12.034 2.104 -3.892 434 H ASP 61 H ASP 61 5.147 5.171 -6.523 435 HA ASP 61 HA ASP 61 6.191 7.072 -4.505 436 1HB ASP 61 1HB ASP 61 5.326 8.173 -6.422 437 2HB ASP 61 2HB ASP 61 4.035 7.013 -6.665 438 H GLU 62 H GLU 62 2.820 6.456 -4.972 439 HA GLU 62 HA GLU 62 1.524 6.736 -2.450 440 1HB GLU 62 1HB GLU 62 0.971 4.638 -4.592 441 2HB GLU 62 2HB GLU 62 -0.069 4.883 -3.221 442 1HG GLU 62 1HG GLU 62 -0.237 7.430 -4.089 443 2HG GLU 62 2HG GLU 62 0.409 6.798 -5.592 444 H PHE 63 H PHE 63 3.746 4.095 -3.228 445 HA PHE 63 HA PHE 63 3.078 2.323 -0.887 446 1HB PHE 63 1HB PHE 63 4.334 1.638 -3.033 447 2HB PHE 63 2HB PHE 63 5.711 2.521 -2.467 448 HD1 PHE 63 HD1 PHE 63 3.532 -0.365 -1.321 449 HD2 PHE 63 HD2 PHE 63 7.335 1.614 -0.940 450 HE1 PHE 63 HE1 PHE 63 4.421 -2.291 -0.107 451 HE2 PHE 63 HE2 PHE 63 8.225 -0.358 0.242 452 HZ PHE 63 HZ PHE 63 6.796 -2.344 0.594 453 H LEU 64 H LEU 64 5.882 4.460 -1.488 454 HA LEU 64 HA LEU 64 6.970 4.760 1.131 455 1HB LEU 64 1HB LEU 64 6.749 6.789 -1.145 456 2HB LEU 64 2HB LEU 64 7.605 7.183 0.325 457 HG LEU 64 HG LEU 64 8.363 4.686 -1.291 458 1HD1 LEU 64 1HD1 LEU 64 9.310 7.592 -1.793 459 2HD1 LEU 64 2HD1 LEU 64 10.097 6.135 -2.457 460 3HD1 LEU 64 3HD1 LEU 64 8.431 6.511 -2.908 461 1HD2 LEU 64 1HD2 LEU 64 9.966 6.497 0.662 462 2HD2 LEU 64 2HD2 LEU 64 9.448 4.810 0.944 463 3HD2 LEU 64 3HD2 LEU 64 10.662 5.164 -0.292 464 H LYS 65 H LYS 65 4.192 6.588 -0.140 465 HA LYS 65 HA LYS 65 4.055 8.302 2.351 466 1HB LYS 65 1HB LYS 65 4.006 9.616 0.501 467 2HB LYS 65 2HB LYS 65 3.394 8.368 -0.568 468 1HG LYS 65 1HG LYS 65 1.491 9.683 -0.642 469 2HG LYS 65 2HG LYS 65 1.113 9.035 0.966 470 1HD LYS 65 1HD LYS 65 2.721 10.870 1.915 471 2HD LYS 65 2HD LYS 65 2.624 11.662 0.339 472 1HE LYS 65 1HE LYS 65 -0.021 11.658 0.791 473 2HE LYS 65 2HE LYS 65 0.408 11.188 2.446 474 1HZ LYS 65 1HZ LYS 65 2.121 13.237 2.229 475 2HZ LYS 65 2HZ LYS 65 1.147 13.782 1.072 476 3HZ LYS 65 3HZ LYS 65 0.574 13.587 2.606 477 H MET 66 H MET 66 2.261 5.570 1.002 478 HA MET 66 HA MET 66 0.164 5.696 3.104 479 1HB MET 66 1HB MET 66 -0.418 4.613 1.043 480 2HB MET 66 2HB MET 66 1.032 3.633 1.026 481 1HG MET 66 1HG MET 66 -0.679 3.042 3.416 482 2HG MET 66 2HG MET 66 -1.465 2.694 1.864 483 1HE MET 66 1HE MET 66 0.763 2.006 -0.139 484 2HE MET 66 2HE MET 66 0.896 0.235 0.068 485 3HE MET 66 3HE MET 66 -0.712 1.020 0.106 486 H MET 67 H MET 67 3.145 3.764 2.777 487 HA MET 67 HA MET 67 3.252 2.347 5.355 488 1HB MET 67 1HB MET 67 5.046 1.890 3.820 489 2HB MET 67 2HB MET 67 5.358 3.588 3.519 490 1HG MET 67 1HG MET 67 6.959 3.683 5.128 491 2HG MET 67 2HG MET 67 5.831 3.122 6.377 492 1HE MET 67 1HE MET 67 7.946 2.178 3.309 493 2HE MET 67 2HE MET 67 9.160 2.206 4.629 494 3HE MET 67 3HE MET 67 8.768 0.667 3.802 495 H GLU 68 H GLU 68 4.666 5.606 4.640 496 HA GLU 68 HA GLU 68 4.592 6.763 7.254 497 1HB GLU 68 1HB GLU 68 5.256 7.678 4.804 498 2HB GLU 68 2HB GLU 68 3.737 8.508 4.945 499 1HG GLU 68 1HG GLU 68 4.555 10.041 6.530 500 2HG GLU 68 2HG GLU 68 5.541 8.854 7.364 501 H GLY 69 H GLY 69 1.828 6.567 5.030 502 1HA GLY 69 1HA GLY 69 -0.595 6.745 5.465 503 2HA GLY 69 2HA GLY 69 -0.100 5.661 6.771 504 H VAL 70 H VAL 70 -0.181 6.390 8.919 505 HA VAL 70 HA VAL 70 -2.178 8.721 9.152 506 HB VAL 70 HB VAL 70 -2.062 6.286 11.007 507 1HG1 VAL 70 1HG1 VAL 70 -4.232 8.473 10.626 508 2HG1 VAL 70 2HG1 VAL 70 -4.403 7.033 11.662 509 3HG1 VAL 70 3HG1 VAL 70 -3.195 8.257 12.057 510 1HG2 VAL 70 1HG2 VAL 70 -2.748 5.505 8.703 511 2HG2 VAL 70 2HG2 VAL 70 -4.090 5.396 9.831 512 3HG2 VAL 70 3HG2 VAL 70 -4.034 6.730 8.642 513 H GLN 71 H GLN 71 -2.045 9.984 11.088 514 HA GLN 71 HA GLN 71 0.792 10.853 11.251 515 1HB GLN 71 1HB GLN 71 -0.896 12.448 10.607 516 2HB GLN 71 2HB GLN 71 -1.862 12.153 12.050 517 1HG GLN 71 1HG GLN 71 -0.010 13.153 13.479 518 2HG GLN 71 2HG GLN 71 0.986 13.423 12.062 519 1HE2 GLN 71 1HE2 GLN 71 -1.108 16.246 11.040 520 2HE2 GLN 71 2HE2 GLN 71 -0.208 14.792 10.337 521 1HN NH2 72 1HN NH2 72 -1.601 9.619 13.690 522 2HN NH2 72 2HN NH2 72 -0.472 9.615 15.071 No H/Q in entry = 522 Start of MODEL 26 1 1H ACE 1 1HH3 ACE 1 17.658 11.478 5.864 2 2H ACE 1 2HH3 ACE 1 18.840 10.148 6.133 3 3H ACE 1 3HH3 ACE 1 19.012 11.248 4.736 4 H LYS 2 H LYS 2 16.624 8.989 6.131 5 HA LYS 2 HA LYS 2 14.818 7.755 5.165 6 1HB LYS 2 1HB LYS 2 13.923 9.928 4.840 7 2HB LYS 2 2HB LYS 2 14.963 10.327 3.491 8 1HG LYS 2 1HG LYS 2 13.544 8.163 2.388 9 2HG LYS 2 2HG LYS 2 12.392 8.650 3.605 10 1HD LYS 2 1HD LYS 2 13.479 10.920 1.909 11 2HD LYS 2 2HD LYS 2 12.536 9.719 1.024 12 1HE LYS 2 1HE LYS 2 10.775 11.072 1.693 13 2HE LYS 2 2HE LYS 2 10.774 9.992 3.098 14 1HZ LYS 2 1HZ LYS 2 12.527 12.478 3.221 15 2HZ LYS 2 2HZ LYS 2 10.929 12.623 3.421 16 3HZ LYS 2 3HZ LYS 2 11.699 11.739 4.458 17 H SER 3 H SER 3 16.041 5.949 4.586 18 HA SER 3 HA SER 3 17.526 5.732 2.037 19 1HB SER 3 1HB SER 3 18.369 4.728 4.062 20 2HB SER 3 2HB SER 3 16.929 3.775 4.332 21 HG SER 3 HG SER 3 17.426 2.442 2.675 22 H GLU 4 H GLU 4 17.225 4.058 0.363 23 HA GLU 4 HA GLU 4 14.267 4.012 -0.399 24 1HB GLU 4 1HB GLU 4 14.799 5.721 -1.755 25 2HB GLU 4 2HB GLU 4 16.473 5.237 -1.886 26 1HG GLU 4 1HG GLU 4 15.069 3.256 -3.432 27 2HG GLU 4 2HG GLU 4 14.223 4.758 -3.785 28 H GLU 5 H GLU 5 17.268 2.293 -0.365 29 HA GLU 5 HA GLU 5 16.520 0.067 -2.044 30 1HB GLU 5 1HB GLU 5 18.767 0.213 -1.791 31 2HB GLU 5 2HB GLU 5 18.719 0.629 -0.105 32 1HG GLU 5 1HG GLU 5 17.945 -2.038 0.100 33 2HG GLU 5 2HG GLU 5 18.865 -2.130 -1.390 34 H GLU 6 H GLU 6 15.663 0.604 1.279 35 HA GLU 6 HA GLU 6 14.726 -2.232 1.647 36 1HB GLU 6 1HB GLU 6 15.415 0.029 3.510 37 2HB GLU 6 2HB GLU 6 14.331 -1.190 4.109 38 1HG GLU 6 1HG GLU 6 17.177 -1.786 3.025 39 2HG GLU 6 2HG GLU 6 16.782 -1.596 4.724 40 H LEU 7 H LEU 7 13.223 0.950 1.454 41 HA LEU 7 HA LEU 7 10.388 -0.091 1.599 42 1HB LEU 7 1HB LEU 7 11.534 2.542 0.519 43 2HB LEU 7 2HB LEU 7 9.827 2.173 0.566 44 HG LEU 7 HG LEU 7 10.323 1.790 3.218 45 1HD1 LEU 7 1HD1 LEU 7 12.771 2.194 3.039 46 2HD1 LEU 7 2HD1 LEU 7 12.497 3.818 2.359 47 3HD1 LEU 7 3HD1 LEU 7 12.014 3.446 4.034 48 1HD2 LEU 7 1HD2 LEU 7 9.951 4.571 1.877 49 2HD2 LEU 7 2HD2 LEU 7 8.659 3.450 2.387 50 3HD2 LEU 7 3HD2 LEU 7 9.680 4.220 3.604 51 H ALA 8 H ALA 8 12.752 0.523 -1.031 52 HA ALA 8 HA ALA 8 11.223 -0.543 -3.215 53 1HB ALA 8 1HB ALA 8 14.264 -0.694 -2.658 54 2HB ALA 8 2HB ALA 8 13.499 -0.966 -4.237 55 3HB ALA 8 3HB ALA 8 13.389 0.624 -3.472 56 H ASN 9 H ASN 9 13.643 -2.535 -1.432 57 HA ASN 9 HA ASN 9 12.683 -5.153 -2.185 58 1HB ASN 9 1HB ASN 9 14.029 -4.297 0.473 59 2HB ASN 9 2HB ASN 9 13.843 -5.950 -0.044 60 1HD2 ASN 9 1HD2 ASN 9 17.240 -4.736 -1.027 61 2HD2 ASN 9 2HD2 ASN 9 16.302 -4.845 0.530 62 H ALA 10 H ALA 10 11.510 -3.169 0.558 63 HA ALA 10 HA ALA 10 9.325 -4.868 1.432 64 1HB ALA 10 1HB ALA 10 10.184 -2.840 2.616 65 2HB ALA 10 2HB ALA 10 9.486 -1.776 1.367 66 3HB ALA 10 3HB ALA 10 8.424 -2.752 2.406 67 H PHE 11 H PHE 11 9.282 -2.443 -1.195 68 HA PHE 11 HA PHE 11 6.474 -2.847 -1.967 69 1HB PHE 11 1HB PHE 11 7.827 -0.769 -2.369 70 2HB PHE 11 2HB PHE 11 8.807 -1.609 -3.522 71 HD1 PHE 11 HD1 PHE 11 5.467 -0.102 -2.978 72 HD2 PHE 11 HD2 PHE 11 7.964 -2.103 -5.855 73 HE1 PHE 11 HE1 PHE 11 3.964 0.609 -4.792 74 HE2 PHE 11 HE2 PHE 11 6.432 -1.402 -7.653 75 HZ PHE 11 HZ PHE 11 4.402 -0.091 -7.112 76 H ARG 12 H ARG 12 9.457 -4.263 -3.320 77 HA ARG 12 HA ARG 12 8.225 -6.125 -5.181 78 1HB ARG 12 1HB ARG 12 10.780 -5.558 -4.604 79 2HB ARG 12 2HB ARG 12 10.660 -6.951 -3.535 80 1HG ARG 12 1HG ARG 12 11.551 -7.327 -5.974 81 2HG ARG 12 2HG ARG 12 10.382 -8.498 -5.349 82 1HD ARG 12 1HD ARG 12 8.657 -7.801 -6.791 83 2HD ARG 12 2HD ARG 12 9.217 -6.106 -6.829 84 HE ARG 12 HE ARG 12 10.991 -8.221 -8.147 85 1HH1 ARG 12 2HH1 ARG 12 8.965 -5.437 -8.540 86 2HH1 ARG 12 1HH1 ARG 12 9.441 -5.237 -10.295 87 1HH2 ARG 12 1HH2 ARG 12 11.503 -7.987 -10.110 88 2HH2 ARG 12 2HH2 ARG 12 10.824 -6.637 -11.132 89 H ILE 13 H ILE 13 8.873 -6.632 -1.670 90 HA ILE 13 HA ILE 13 8.131 -9.528 -1.726 91 HB ILE 13 HB ILE 13 8.804 -7.578 0.524 92 1HG1 ILE 13 1HG1 ILE 13 10.850 -8.365 -0.480 93 2HG1 ILE 13 2HG1 ILE 13 10.672 -9.261 1.004 94 1HG2 ILE 13 1HG2 ILE 13 7.039 -9.108 1.485 95 2HG2 ILE 13 2HG2 ILE 13 7.942 -10.538 0.931 96 3HG2 ILE 13 3HG2 ILE 13 8.597 -9.482 2.198 97 1HD1 ILE 13 1HD1 ILE 13 9.818 -11.294 -0.208 98 2HD1 ILE 13 2HD1 ILE 13 10.043 -10.455 -1.762 99 3HD1 ILE 13 3HD1 ILE 13 11.445 -10.806 -0.733 100 H PHE 14 H PHE 14 6.464 -6.510 -1.003 101 HA PHE 14 HA PHE 14 3.876 -7.670 -0.120 102 1HB PHE 14 1HB PHE 14 4.700 -4.931 -1.263 103 2HB PHE 14 2HB PHE 14 3.029 -5.305 -0.999 104 HD1 PHE 14 HD1 PHE 14 5.182 -6.878 1.507 105 HD2 PHE 14 HD2 PHE 14 3.144 -3.233 0.502 106 HE1 PHE 14 HE1 PHE 14 5.350 -6.136 3.849 107 HE2 PHE 14 HE2 PHE 14 3.335 -2.487 2.841 108 HZ PHE 14 HZ PHE 14 4.404 -3.957 4.530 109 H ASP 15 H ASP 15 5.044 -6.547 -3.318 110 HA ASP 15 HA ASP 15 2.692 -7.290 -4.837 111 1HB ASP 15 1HB ASP 15 4.403 -5.651 -5.580 112 2HB ASP 15 2HB ASP 15 5.618 -6.910 -5.740 113 H LYS 16 H LYS 16 1.992 -9.159 -5.898 114 HA LYS 16 HA LYS 16 3.163 -11.620 -4.542 115 1HB LYS 16 1HB LYS 16 0.906 -12.688 -4.785 116 2HB LYS 16 2HB LYS 16 0.911 -11.296 -3.739 117 1HG LYS 16 1HG LYS 16 -1.115 -11.074 -4.989 118 2HG LYS 16 2HG LYS 16 -0.032 -9.958 -5.810 119 1HD LYS 16 1HD LYS 16 -0.541 -11.004 -7.767 120 2HD LYS 16 2HD LYS 16 0.466 -12.331 -7.192 121 1HE LYS 16 1HE LYS 16 -1.241 -13.778 -7.217 122 2HE LYS 16 2HE LYS 16 -2.108 -12.838 -5.985 123 1HZ LYS 16 1HZ LYS 16 -2.109 -11.986 -8.908 124 2HZ LYS 16 2HZ LYS 16 -3.208 -13.044 -8.337 125 3HZ LYS 16 3HZ LYS 16 -3.192 -11.507 -7.755 126 H ASN 17 H ASN 17 3.822 -10.269 -7.254 127 HA ASN 17 HA ASN 17 3.549 -12.516 -9.228 128 1HB ASN 17 1HB ASN 17 1.635 -11.902 -10.337 129 2HB ASN 17 2HB ASN 17 1.196 -11.447 -8.713 130 1HD2 ASN 17 1HD2 ASN 17 0.876 -7.998 -9.628 131 2HD2 ASN 17 2HD2 ASN 17 0.952 -9.149 -8.254 132 H ALA 18 H ALA 18 4.198 -9.000 -8.813 133 HA ALA 18 HA ALA 18 6.255 -7.867 -9.379 134 1HB ALA 18 1HB ALA 18 7.277 -10.038 -8.602 135 2HB ALA 18 2HB ALA 18 7.122 -10.694 -10.247 136 3HB ALA 18 3HB ALA 18 8.205 -9.323 -9.950 137 H ASP 19 H ASP 19 4.227 -7.554 -11.235 138 HA ASP 19 HA ASP 19 5.838 -7.080 -13.789 139 1HB ASP 19 1HB ASP 19 3.318 -7.783 -13.793 140 2HB ASP 19 2HB ASP 19 2.950 -6.150 -13.255 141 H GLY 20 H GLY 20 5.104 -5.584 -10.791 142 1HA GLY 20 1HA GLY 20 6.845 -3.784 -10.182 143 2HA GLY 20 2HA GLY 20 6.428 -2.983 -11.703 144 H TYR 21 H TYR 21 3.574 -4.056 -10.337 145 HA TYR 21 HA TYR 21 2.969 -1.304 -9.082 146 1HB TYR 21 1HB TYR 21 1.082 -3.028 -10.813 147 2HB TYR 21 2HB TYR 21 0.592 -1.613 -9.929 148 HD1 TYR 21 HD1 TYR 21 3.908 -1.070 -11.223 149 HD2 TYR 21 HD2 TYR 21 -0.247 -0.953 -12.330 150 HE1 TYR 21 HE1 TYR 21 4.470 0.244 -13.231 151 HE2 TYR 21 HE2 TYR 21 0.348 0.355 -14.344 152 HH TYR 21 HH TYR 21 2.764 0.575 -15.798 153 H ILE 22 H ILE 22 1.131 -1.298 -7.588 154 HA ILE 22 HA ILE 22 0.495 -3.967 -6.201 155 HB ILE 22 HB ILE 22 0.861 -1.212 -4.904 156 1HG1 ILE 22 1HG1 ILE 22 2.567 -3.778 -4.660 157 2HG1 ILE 22 2HG1 ILE 22 3.064 -2.263 -5.362 158 1HG2 ILE 22 1HG2 ILE 22 -0.989 -2.490 -3.733 159 2HG2 ILE 22 2HG2 ILE 22 0.085 -3.886 -3.520 160 3HG2 ILE 22 3HG2 ILE 22 0.410 -2.347 -2.683 161 1HD1 ILE 22 1HD1 ILE 22 2.840 -1.085 -3.115 162 2HD1 ILE 22 2HD1 ILE 22 2.531 -2.671 -2.364 163 3HD1 ILE 22 3HD1 ILE 22 4.083 -2.360 -3.170 164 H ASP 23 H ASP 23 -1.544 -4.556 -6.206 165 HA ASP 23 HA ASP 23 -3.665 -2.588 -7.193 166 1HB ASP 23 1HB ASP 23 -4.933 -4.729 -7.848 167 2HB ASP 23 2HB ASP 23 -3.432 -4.424 -8.714 168 H ILE 24 H ILE 24 -5.912 -2.975 -6.456 169 HA ILE 24 HA ILE 24 -6.118 -2.658 -3.464 170 HB ILE 24 HB ILE 24 -7.581 -1.527 -5.431 171 1HG1 ILE 24 1HG1 ILE 24 -7.674 -1.278 -2.718 172 2HG1 ILE 24 2HG1 ILE 24 -8.814 -0.498 -3.780 173 1HG2 ILE 24 1HG2 ILE 24 -8.708 -3.665 -6.207 174 2HG2 ILE 24 2HG2 ILE 24 -9.379 -3.915 -4.583 175 3HG2 ILE 24 3HG2 ILE 24 -9.900 -2.537 -5.585 176 1HD1 ILE 24 1HD1 ILE 24 -10.475 -2.404 -3.482 177 2HD1 ILE 24 2HD1 ILE 24 -9.401 -3.089 -2.237 178 3HD1 ILE 24 3HD1 ILE 24 -10.123 -1.484 -1.995 179 H GLU 25 H GLU 25 -6.070 -5.328 -5.622 180 HA GLU 25 HA GLU 25 -7.520 -7.203 -3.784 181 1HB GLU 25 1HB GLU 25 -7.767 -7.854 -5.976 182 2HB GLU 25 2HB GLU 25 -6.137 -7.474 -6.443 183 1HG GLU 25 1HG GLU 25 -5.277 -9.599 -5.733 184 2HG GLU 25 2HG GLU 25 -6.527 -9.844 -4.526 185 H GLU 26 H GLU 26 -4.168 -6.278 -4.288 186 HA GLU 26 HA GLU 26 -2.967 -8.440 -2.580 187 1HB GLU 26 1HB GLU 26 -0.895 -7.645 -3.075 188 2HB GLU 26 2HB GLU 26 -1.776 -7.211 -4.508 189 1HG GLU 26 1HG GLU 26 -0.599 -5.204 -4.205 190 2HG GLU 26 2HG GLU 26 -1.989 -4.780 -3.223 191 H LEU 27 H LEU 27 -3.786 -5.026 -2.090 192 HA LEU 27 HA LEU 27 -2.450 -4.396 0.382 193 1HB LEU 27 1HB LEU 27 -3.590 -2.746 -1.040 194 2HB LEU 27 2HB LEU 27 -5.158 -3.426 -0.690 195 HG LEU 27 HG LEU 27 -4.807 -1.304 0.551 196 1HD1 LEU 27 1HD1 LEU 27 -6.319 -3.035 1.526 197 2HD1 LEU 27 2HD1 LEU 27 -4.969 -3.739 2.461 198 3HD1 LEU 27 3HD1 LEU 27 -5.543 -2.078 2.786 199 1HD2 LEU 27 1HD2 LEU 27 -2.530 -2.767 2.084 200 2HD2 LEU 27 2HD2 LEU 27 -2.324 -1.402 0.946 201 3HD2 LEU 27 3HD2 LEU 27 -3.198 -1.155 2.462 202 H GLY 28 H GLY 28 -5.917 -5.355 0.306 203 1HA GLY 28 1HA GLY 28 -6.345 -5.489 3.216 204 2HA GLY 28 2HA GLY 28 -7.331 -6.320 2.007 205 H GLU 29 H GLU 29 -5.320 -8.012 0.910 206 HA GLU 29 HA GLU 29 -5.437 -10.264 2.875 207 1HB GLU 29 1HB GLU 29 -4.846 -9.974 -0.020 208 2HB GLU 29 2HB GLU 29 -3.894 -11.205 0.750 209 1HG GLU 29 1HG GLU 29 -5.696 -12.572 0.205 210 2HG GLU 29 2HG GLU 29 -6.401 -11.972 1.695 211 H ILE 30 H ILE 30 -2.877 -8.150 1.695 212 HA ILE 30 HA ILE 30 -0.632 -9.253 3.345 213 HB ILE 30 HB ILE 30 -1.115 -6.525 2.062 214 1HG1 ILE 30 1HG1 ILE 30 0.704 -7.012 0.566 215 2HG1 ILE 30 2HG1 ILE 30 1.352 -8.273 1.579 216 1HG2 ILE 30 1HG2 ILE 30 0.086 -6.065 4.231 217 2HG2 ILE 30 2HG2 ILE 30 1.334 -7.269 3.817 218 3HG2 ILE 30 3HG2 ILE 30 1.153 -5.771 2.863 219 1HD1 ILE 30 1HD1 ILE 30 -1.257 -8.647 -0.038 220 2HD1 ILE 30 2HD1 ILE 30 0.356 -9.282 -0.426 221 3HD1 ILE 30 3HD1 ILE 30 -0.488 -9.850 1.029 222 H LEU 31 H LEU 31 -2.715 -6.376 3.846 223 HA LEU 31 HA LEU 31 -2.138 -6.265 6.788 224 1HB LEU 31 1HB LEU 31 -4.387 -4.644 5.605 225 2HB LEU 31 2HB LEU 31 -3.210 -4.192 6.814 226 HG LEU 31 HG LEU 31 -2.584 -4.440 3.809 227 1HD1 LEU 31 1HD1 LEU 31 -3.164 -1.943 5.542 228 2HD1 LEU 31 2HD1 LEU 31 -2.545 -1.918 3.869 229 3HD1 LEU 31 3HD1 LEU 31 -4.145 -2.589 4.197 230 1HD2 LEU 31 1HD2 LEU 31 -0.880 -3.312 6.146 231 2HD2 LEU 31 2HD2 LEU 31 -0.497 -4.730 5.130 232 3HD2 LEU 31 3HD2 LEU 31 -0.494 -3.115 4.416 233 H ARG 32 H ARG 32 -3.924 -8.544 5.371 234 HA ARG 32 HA ARG 32 -5.046 -9.113 8.164 235 1HB ARG 32 1HB ARG 32 -6.651 -7.935 6.462 236 2HB ARG 32 2HB ARG 32 -6.702 -9.467 5.592 237 1HG ARG 32 1HG ARG 32 -8.646 -9.178 7.163 238 2HG ARG 32 2HG ARG 32 -7.671 -10.597 7.589 239 1HD ARG 32 1HD ARG 32 -6.505 -9.340 9.413 240 2HD ARG 32 2HD ARG 32 -7.309 -7.826 8.941 241 HE ARG 32 HE ARG 32 -9.405 -8.628 9.918 242 1HH1 ARG 32 2HH1 ARG 32 -7.075 -11.205 9.941 243 2HH1 ARG 32 1HH1 ARG 32 -8.126 -12.246 11.013 244 1HH2 ARG 32 1HH2 ARG 32 -10.557 -9.824 11.132 245 2HH2 ARG 32 2HH2 ARG 32 -10.001 -11.486 11.635 246 H ALA 33 H ALA 33 -4.956 -10.614 4.908 247 HA ALA 33 HA ALA 33 -5.259 -13.296 6.000 248 1HB ALA 33 1HB ALA 33 -6.233 -12.518 3.844 249 2HB ALA 33 2HB ALA 33 -4.607 -12.373 3.123 250 3HB ALA 33 3HB ALA 33 -5.243 -13.966 3.588 251 H THR 34 H THR 34 -3.772 -14.510 6.953 252 HA THR 34 HA THR 34 -0.874 -14.467 6.249 253 HB THR 34 HB THR 34 -2.223 -14.984 8.586 254 HG1 THR 34 HG1 THR 34 0.201 -14.837 7.918 255 1HG2 THR 34 2HG2 THR 34 -2.951 -17.297 7.707 256 2HG2 THR 34 3HG2 THR 34 -1.231 -17.759 7.619 257 3HG2 THR 34 1HG2 THR 34 -1.965 -17.390 9.189 258 H GLY 35 H GLY 35 0.177 -15.726 4.873 259 1HA GLY 35 1HA GLY 35 -0.645 -18.563 4.119 260 2HA GLY 35 2HA GLY 35 -0.815 -17.347 2.847 261 1HN NH2 36 1HN NH2 36 1.944 -16.689 4.914 262 2HN NH2 36 2HN NH2 36 3.198 -17.393 3.858 263 1H ACE 37 1HH3 ACE 37 -4.138 -4.839 13.784 264 2H ACE 37 2HH3 ACE 37 -3.108 -3.525 13.117 265 3H ACE 37 3HH3 ACE 37 -3.979 -3.290 14.655 266 H VAL 38 H VAL 38 -4.776 -4.207 11.259 267 HA VAL 38 HA VAL 38 -6.558 -1.720 11.093 268 HB VAL 38 HB VAL 38 -6.213 -1.595 8.807 269 1HG1 VAL 38 1HG1 VAL 38 -3.574 -2.850 9.862 270 2HG1 VAL 38 2HG1 VAL 38 -3.713 -1.958 8.330 271 3HG1 VAL 38 3HG1 VAL 38 -4.002 -1.129 9.863 272 1HG2 VAL 38 1HG2 VAL 38 -6.831 -3.956 8.128 273 2HG2 VAL 38 2HG2 VAL 38 -5.343 -3.436 7.308 274 3HG2 VAL 38 3HG2 VAL 38 -5.253 -4.540 8.702 275 H THR 39 H THR 39 -8.686 -1.868 10.572 276 HA THR 39 HA THR 39 -9.917 -4.597 9.896 277 HB THR 39 HB THR 39 -12.141 -3.776 10.538 278 HG1 THR 39 HG1 THR 39 -12.302 -1.849 11.730 279 1HG2 THR 39 2HG2 THR 39 -10.048 -3.274 12.770 280 2HG2 THR 39 3HG2 THR 39 -11.782 -3.578 13.034 281 3HG2 THR 39 1HG2 THR 39 -10.755 -4.848 12.337 282 H GLU 40 H GLU 40 -11.873 -4.182 8.309 283 HA GLU 40 HA GLU 40 -10.516 -3.364 5.780 284 1HB GLU 40 1HB GLU 40 -13.113 -4.738 6.452 285 2HB GLU 40 2HB GLU 40 -12.979 -4.002 4.884 286 1HG GLU 40 1HG GLU 40 -11.445 -5.623 4.086 287 2HG GLU 40 2HG GLU 40 -10.677 -5.859 5.645 288 H GLU 41 H GLU 41 -13.284 -2.042 7.597 289 HA GLU 41 HA GLU 41 -14.019 0.067 5.856 290 1HB GLU 41 1HB GLU 41 -15.025 -0.831 8.135 291 2HB GLU 41 2HB GLU 41 -14.189 0.512 8.853 292 1HG GLU 41 1HG GLU 41 -15.556 2.161 7.611 293 2HG GLU 41 2HG GLU 41 -16.198 0.937 6.531 294 H ASP 42 H ASP 42 -11.271 0.117 8.014 295 HA ASP 42 HA ASP 42 -10.471 2.976 7.666 296 1HB ASP 42 1HB ASP 42 -8.961 0.441 8.550 297 2HB ASP 42 2HB ASP 42 -8.167 2.004 8.415 298 H ILE 43 H ILE 43 -9.827 -0.018 5.855 299 HA ILE 43 HA ILE 43 -7.659 1.127 4.129 300 HB ILE 43 HB ILE 43 -9.215 -1.489 4.044 301 1HG1 ILE 43 1HG1 ILE 43 -6.159 -1.284 3.985 302 2HG1 ILE 43 2HG1 ILE 43 -6.977 -0.964 5.491 303 1HG2 ILE 43 1HG2 ILE 43 -8.950 -0.846 1.617 304 2HG2 ILE 43 2HG2 ILE 43 -7.214 -0.561 1.854 305 3HG2 ILE 43 3HG2 ILE 43 -7.895 -2.202 1.988 306 1HD1 ILE 43 1HD1 ILE 43 -8.108 -3.228 5.448 307 2HD1 ILE 43 2HD1 ILE 43 -7.170 -3.646 3.989 308 3HD1 ILE 43 3HD1 ILE 43 -6.333 -3.304 5.519 309 H GLU 44 H GLU 44 -11.146 0.499 3.670 310 HA GLU 44 HA GLU 44 -11.217 1.485 0.841 311 1HB GLU 44 1HB GLU 44 -13.861 1.451 1.674 312 2HB GLU 44 2HB GLU 44 -13.022 0.217 0.785 313 1HG GLU 44 1HG GLU 44 -12.657 -1.148 2.809 314 2HG GLU 44 2HG GLU 44 -13.084 0.172 3.882 315 H ASP 45 H ASP 45 -11.785 2.898 3.996 316 HA ASP 45 HA ASP 45 -12.663 5.614 3.098 317 1HB ASP 45 1HB ASP 45 -11.519 4.464 5.705 318 2HB ASP 45 2HB ASP 45 -11.728 6.199 5.508 319 H LEU 46 H LEU 46 -9.498 4.202 3.935 320 HA LEU 46 HA LEU 46 -7.921 6.644 3.318 321 1HB LEU 46 1HB LEU 46 -7.247 4.847 4.912 322 2HB LEU 46 2HB LEU 46 -7.030 3.712 3.601 323 HG LEU 46 HG LEU 46 -5.215 5.440 2.671 324 1HD1 LEU 46 1HD1 LEU 46 -5.794 6.490 5.455 325 2HD1 LEU 46 2HD1 LEU 46 -4.110 6.479 4.913 326 3HD1 LEU 46 3HD1 LEU 46 -5.334 7.390 3.981 327 1HD2 LEU 46 1HD2 LEU 46 -4.928 3.474 4.982 328 2HD2 LEU 46 2HD2 LEU 46 -4.211 3.395 3.346 329 3HD2 LEU 46 3HD2 LEU 46 -3.543 4.495 4.588 330 H MET 47 H MET 47 -8.129 3.629 1.382 331 HA MET 47 HA MET 47 -6.940 4.940 -1.001 332 1HB MET 47 1HB MET 47 -7.046 2.354 -0.171 333 2HB MET 47 2HB MET 47 -8.436 2.315 -1.242 334 1HG MET 47 1HG MET 47 -7.134 2.856 -3.221 335 2HG MET 47 2HG MET 47 -5.745 3.398 -2.261 336 1HE MET 47 1HE MET 47 -5.977 1.306 -4.702 337 2HE MET 47 2HE MET 47 -4.398 1.779 -4.012 338 3HE MET 47 3HE MET 47 -4.790 0.047 -4.215 339 H LYS 48 H LYS 48 -10.134 5.193 0.177 340 HA LYS 48 HA LYS 48 -11.062 6.277 -2.490 341 1HB LYS 48 1HB LYS 48 -12.659 5.185 -1.026 342 2HB LYS 48 2HB LYS 48 -12.299 6.199 0.337 343 1HG LYS 48 1HG LYS 48 -13.473 7.365 -2.303 344 2HG LYS 48 2HG LYS 48 -14.499 6.589 -1.138 345 1HD LYS 48 1HD LYS 48 -13.847 8.180 0.671 346 2HD LYS 48 2HD LYS 48 -12.759 9.041 -0.365 347 1HE LYS 48 1HE LYS 48 -15.355 9.031 -1.744 348 2HE LYS 48 2HE LYS 48 -15.699 9.309 -0.045 349 1HZ LYS 48 1HZ LYS 48 -13.789 11.074 -0.134 350 2HZ LYS 48 2HZ LYS 48 -13.827 11.022 -1.717 351 3HZ LYS 48 3HZ LYS 48 -15.169 11.520 -0.883 352 H ASP 49 H ASP 49 -9.529 7.416 0.440 353 HA ASP 49 HA ASP 49 -9.864 10.371 -0.102 354 1HB ASP 49 1HB ASP 49 -9.688 9.669 2.238 355 2HB ASP 49 2HB ASP 49 -8.173 8.823 1.957 356 H SER 50 H SER 50 -7.015 8.198 -0.135 357 HA SER 50 HA SER 50 -5.302 10.162 -1.579 358 1HB SER 50 1HB SER 50 -4.517 7.222 -1.348 359 2HB SER 50 2HB SER 50 -3.511 8.657 -1.179 360 HG SER 50 HG SER 50 -4.283 7.331 0.758 361 H ASP 51 H ASP 51 -7.226 7.358 -2.669 362 HA ASP 51 HA ASP 51 -6.506 7.377 -5.442 363 1HB ASP 51 1HB ASP 51 -8.009 5.706 -4.376 364 2HB ASP 51 2HB ASP 51 -9.275 6.907 -4.159 365 H LYS 52 H LYS 52 -7.068 8.499 -7.271 366 HA LYS 52 HA LYS 52 -8.045 11.366 -6.804 367 1HB LYS 52 1HB LYS 52 -6.654 11.843 -8.941 368 2HB LYS 52 2HB LYS 52 -5.814 11.721 -7.426 369 1HG LYS 52 1HG LYS 52 -6.020 9.127 -9.054 370 2HG LYS 52 2HG LYS 52 -5.146 10.414 -9.824 371 1HD LYS 52 1HD LYS 52 -3.285 9.860 -8.721 372 2HD LYS 52 2HD LYS 52 -3.949 10.477 -7.245 373 1HE LYS 52 1HE LYS 52 -2.994 8.038 -7.174 374 2HE LYS 52 2HE LYS 52 -4.595 8.249 -6.467 375 1HZ LYS 52 1HZ LYS 52 -4.364 7.408 -9.386 376 2HZ LYS 52 2HZ LYS 52 -4.370 6.321 -8.169 377 3HZ LYS 52 3HZ LYS 52 -5.665 7.208 -8.380 378 H ASN 53 H ASN 53 -7.564 10.246 -10.036 379 HA ASN 53 HA ASN 53 -10.338 10.857 -10.739 380 1HB ASN 53 1HB ASN 53 -9.567 10.852 -13.002 381 2HB ASN 53 2HB ASN 53 -8.146 11.281 -12.092 382 1HD2 ASN 53 1HD2 ASN 53 -7.985 8.067 -14.457 383 2HD2 ASN 53 2HD2 ASN 53 -9.431 9.170 -14.386 384 H ASN 54 H ASN 54 -9.643 8.202 -9.251 385 HA ASN 54 HA ASN 54 -10.331 5.912 -9.130 386 1HB ASN 54 1HB ASN 54 -12.495 7.078 -10.989 387 2HB ASN 54 2HB ASN 54 -12.380 5.348 -10.822 388 1HD2 ASN 54 1HD2 ASN 54 -13.060 6.682 -7.104 389 2HD2 ASN 54 2HD2 ASN 54 -11.463 6.979 -7.933 390 H ASP 55 H ASP 55 -8.134 6.614 -10.750 391 HA ASP 55 HA ASP 55 -8.060 3.984 -12.328 392 1HB ASP 55 1HB ASP 55 -7.244 5.958 -13.623 393 2HB ASP 55 2HB ASP 55 -6.061 6.338 -12.380 394 H GLY 56 H GLY 56 -8.281 3.019 -10.021 395 1HA GLY 56 1HA GLY 56 -6.340 3.953 -7.899 396 2HA GLY 56 2HA GLY 56 -7.683 2.829 -7.648 397 H ARG 57 H ARG 57 -5.665 1.806 -10.284 398 HA ARG 57 HA ARG 57 -4.019 -0.034 -8.620 399 1HB ARG 57 1HB ARG 57 -4.932 -0.312 -11.067 400 2HB ARG 57 2HB ARG 57 -3.540 0.645 -11.573 401 1HG ARG 57 1HG ARG 57 -2.441 -1.385 -11.693 402 2HG ARG 57 2HG ARG 57 -2.273 -1.247 -9.945 403 1HD ARG 57 1HD ARG 57 -4.095 -2.783 -9.515 404 2HD ARG 57 2HD ARG 57 -4.838 -2.479 -11.084 405 HE ARG 57 HE ARG 57 -2.060 -3.598 -11.386 406 1HH1 ARG 57 2HH1 ARG 57 -5.378 -4.545 -11.068 407 2HH1 ARG 57 1HH1 ARG 57 -4.994 -6.253 -11.638 408 1HH2 ARG 57 1HH2 ARG 57 -1.701 -5.426 -12.079 409 2HH2 ARG 57 2HH2 ARG 57 -2.996 -6.714 -12.217 410 H ILE 58 H ILE 58 -2.092 0.234 -7.718 411 HA ILE 58 HA ILE 58 -1.076 3.095 -7.710 412 HB ILE 58 HB ILE 58 -1.091 0.908 -5.580 413 1HG1 ILE 58 1HG1 ILE 58 -2.363 3.722 -5.703 414 2HG1 ILE 58 2HG1 ILE 58 -3.204 2.198 -5.749 415 1HG2 ILE 58 1HG2 ILE 58 1.150 2.071 -5.382 416 2HG2 ILE 58 2HG2 ILE 58 0.344 3.651 -5.312 417 3HG2 ILE 58 3HG2 ILE 58 0.126 2.464 -4.005 418 1HD1 ILE 58 1HD1 ILE 58 -2.483 1.637 -3.383 419 2HD1 ILE 58 2HD1 ILE 58 -1.730 3.248 -3.259 420 3HD1 ILE 58 3HD1 ILE 58 -3.484 3.105 -3.508 421 H ASP 59 H ASP 59 1.036 3.663 -7.970 422 HA ASP 59 HA ASP 59 3.160 1.488 -8.310 423 1HB ASP 59 1HB ASP 59 4.329 3.111 -9.804 424 2HB ASP 59 2HB ASP 59 2.689 2.790 -10.352 425 H PHE 60 H PHE 60 5.472 2.932 -8.103 426 HA PHE 60 HA PHE 60 5.939 2.413 -5.239 427 1HB PHE 60 1HB PHE 60 7.583 2.149 -7.245 428 2HB PHE 60 2HB PHE 60 7.872 3.853 -7.150 429 HD1 PHE 60 HD1 PHE 60 8.105 0.764 -5.012 430 HD2 PHE 60 HD2 PHE 60 9.521 4.770 -5.645 431 HE1 PHE 60 HE1 PHE 60 9.839 0.418 -3.308 432 HE2 PHE 60 HE2 PHE 60 11.245 4.424 -3.911 433 HZ PHE 60 HZ PHE 60 11.394 2.256 -2.724 434 H ASP 61 H ASP 61 5.255 5.376 -6.943 435 HA ASP 61 HA ASP 61 6.188 7.457 -5.053 436 1HB ASP 61 1HB ASP 61 5.457 8.372 -7.120 437 2HB ASP 61 2HB ASP 61 4.175 7.196 -7.333 438 H GLU 62 H GLU 62 2.846 6.813 -5.679 439 HA GLU 62 HA GLU 62 1.359 7.298 -3.313 440 1HB GLU 62 1HB GLU 62 0.996 4.836 -5.080 441 2HB GLU 62 2HB GLU 62 -0.185 5.457 -3.966 442 1HG GLU 62 1HG GLU 62 -0.493 7.533 -5.354 443 2HG GLU 62 2HG GLU 62 0.833 7.082 -6.409 444 H PHE 63 H PHE 63 3.622 4.605 -3.682 445 HA PHE 63 HA PHE 63 2.768 3.039 -1.253 446 1HB PHE 63 1HB PHE 63 4.095 2.151 -3.280 447 2HB PHE 63 2HB PHE 63 5.477 3.023 -2.710 448 HD1 PHE 63 HD1 PHE 63 3.114 0.336 -1.445 449 HD2 PHE 63 HD2 PHE 63 7.038 2.081 -1.178 450 HE1 PHE 63 HE1 PHE 63 3.812 -1.447 0.068 451 HE2 PHE 63 HE2 PHE 63 7.744 0.233 0.285 452 HZ PHE 63 HZ PHE 63 6.156 -1.573 0.861 453 H LEU 64 H LEU 64 5.559 5.174 -1.899 454 HA LEU 64 HA LEU 64 6.461 5.668 0.815 455 1HB LEU 64 1HB LEU 64 6.565 7.460 -1.666 456 2HB LEU 64 2HB LEU 64 7.351 7.904 -0.171 457 HG LEU 64 HG LEU 64 8.012 5.247 -1.563 458 1HD1 LEU 64 1HD1 LEU 64 9.243 8.029 -2.139 459 2HD1 LEU 64 2HD1 LEU 64 9.949 6.474 -2.658 460 3HD1 LEU 64 3HD1 LEU 64 8.362 6.959 -3.264 461 1HD2 LEU 64 1HD2 LEU 64 9.609 7.033 0.416 462 2HD2 LEU 64 2HD2 LEU 64 8.926 5.414 0.744 463 3HD2 LEU 64 3HD2 LEU 64 10.258 5.592 -0.405 464 H LYS 65 H LYS 65 3.705 7.068 -0.842 465 HA LYS 65 HA LYS 65 3.500 9.464 0.956 466 1HB LYS 65 1HB LYS 65 3.017 10.032 -1.179 467 2HB LYS 65 2HB LYS 65 2.548 8.417 -1.671 468 1HG LYS 65 1HG LYS 65 0.363 9.151 -1.755 469 2HG LYS 65 2HG LYS 65 0.397 9.470 -0.011 470 1HD LYS 65 1HD LYS 65 1.365 11.694 -0.316 471 2HD LYS 65 2HD LYS 65 1.609 11.462 -2.050 472 1HE LYS 65 1HE LYS 65 -1.210 11.469 -0.740 473 2HE LYS 65 2HE LYS 65 -0.376 12.978 -1.154 474 1HZ LYS 65 1HZ LYS 65 -0.765 10.783 -3.245 475 2HZ LYS 65 2HZ LYS 65 -1.820 12.011 -3.051 476 3HZ LYS 65 3HZ LYS 65 -0.319 12.347 -3.521 477 H MET 66 H MET 66 1.108 6.781 0.298 478 HA MET 66 HA MET 66 -0.167 7.025 2.920 479 1HB MET 66 1HB MET 66 -0.528 4.403 1.718 480 2HB MET 66 2HB MET 66 -1.655 5.844 1.758 481 1HG MET 66 1HG MET 66 -1.299 6.402 -0.433 482 2HG MET 66 2HG MET 66 0.342 5.731 -0.492 483 1HE MET 66 1HE MET 66 0.014 2.921 0.894 484 2HE MET 66 2HE MET 66 -0.246 1.874 -0.533 485 3HE MET 66 3HE MET 66 0.950 3.204 -0.607 486 H MET 67 H MET 67 2.884 5.580 2.268 487 HA MET 67 HA MET 67 3.058 4.068 4.845 488 1HB MET 67 1HB MET 67 5.011 5.149 2.809 489 2HB MET 67 2HB MET 67 5.611 5.115 4.455 490 1HG MET 67 1HG MET 67 4.282 2.553 3.520 491 2HG MET 67 2HG MET 67 5.852 2.955 2.796 492 1HE MET 67 1HE MET 67 5.986 0.642 3.740 493 2HE MET 67 2HE MET 67 7.610 0.919 4.449 494 3HE MET 67 3HE MET 67 6.302 0.213 5.448 495 H GLU 68 H GLU 68 4.342 7.341 4.032 496 HA GLU 68 HA GLU 68 3.944 8.239 6.882 497 1HB GLU 68 1HB GLU 68 6.220 6.890 6.446 498 2HB GLU 68 2HB GLU 68 6.802 8.439 5.916 499 1HG GLU 68 1HG GLU 68 6.622 9.420 8.133 500 2HG GLU 68 2HG GLU 68 5.478 8.215 8.696 501 H GLY 69 H GLY 69 2.945 9.139 4.309 502 1HA GLY 69 1HA GLY 69 3.622 12.095 4.183 503 2HA GLY 69 2HA GLY 69 2.176 11.334 3.507 504 H VAL 70 H VAL 70 0.824 10.248 5.470 505 HA VAL 70 HA VAL 70 0.456 12.315 7.719 506 HB VAL 70 HB VAL 70 -1.113 12.242 5.432 507 1HG1 VAL 70 1HG1 VAL 70 -2.697 10.716 7.622 508 2HG1 VAL 70 2HG1 VAL 70 -3.414 11.434 6.157 509 3HG1 VAL 70 3HG1 VAL 70 -2.271 10.098 6.008 510 1HG2 VAL 70 1HG2 VAL 70 -1.039 14.135 7.107 511 2HG2 VAL 70 2HG2 VAL 70 -2.695 13.749 6.664 512 3HG2 VAL 70 3HG2 VAL 70 -2.045 13.206 8.240 513 H GLN 71 H GLN 71 -0.019 11.423 9.716 514 HA GLN 71 HA GLN 71 -0.866 8.522 9.886 515 1HB GLN 71 1HB GLN 71 0.524 10.479 11.715 516 2HB GLN 71 2HB GLN 71 -0.428 9.215 12.489 517 1HG GLN 71 1HG GLN 71 1.983 8.908 10.590 518 2HG GLN 71 2HG GLN 71 1.881 8.361 12.253 519 1HE2 GLN 71 1HE2 GLN 71 -0.318 5.558 10.980 520 2HE2 GLN 71 2HE2 GLN 71 -0.651 7.044 12.029 521 1HN NH2 72 1HN NH2 72 -2.833 7.754 10.771 522 2HN NH2 72 2HN NH2 72 -4.172 8.819 11.278 No H/Q in entry = 522 Start of MODEL 27 1 1H ACE 1 1HH3 ACE 1 20.069 10.320 0.752 2 2H ACE 1 2HH3 ACE 1 19.642 11.964 1.348 3 3H ACE 1 3HH3 ACE 1 20.236 10.713 2.477 4 H LYS 2 H LYS 2 17.619 11.067 0.060 5 HA LYS 2 HA LYS 2 15.505 9.751 1.735 6 1HB LYS 2 1HB LYS 2 15.700 10.923 -0.968 7 2HB LYS 2 2HB LYS 2 14.803 9.421 -1.031 8 1HG LYS 2 1HG LYS 2 14.145 12.057 0.466 9 2HG LYS 2 2HG LYS 2 13.169 11.212 -0.708 10 1HD LYS 2 1HD LYS 2 13.226 9.268 1.272 11 2HD LYS 2 2HD LYS 2 13.467 10.694 2.283 12 1HE LYS 2 1HE LYS 2 11.446 11.683 0.701 13 2HE LYS 2 2HE LYS 2 11.012 9.967 0.594 14 1HZ LYS 2 1HZ LYS 2 11.756 11.003 3.302 15 2HZ LYS 2 2HZ LYS 2 10.381 11.564 2.807 16 3HZ LYS 2 3HZ LYS 2 10.589 9.926 2.999 17 H SER 3 H SER 3 15.120 7.618 1.939 18 HA SER 3 HA SER 3 16.948 5.582 0.719 19 1HB SER 3 1HB SER 3 14.603 5.092 2.622 20 2HB SER 3 2HB SER 3 16.016 4.086 2.415 21 HG SER 3 HG SER 3 17.194 5.388 3.605 22 H GLU 4 H GLU 4 16.616 4.966 -1.288 23 HA GLU 4 HA GLU 4 13.811 4.254 -2.272 24 1HB GLU 4 1HB GLU 4 14.185 4.782 -4.401 25 2HB GLU 4 2HB GLU 4 15.184 5.952 -3.573 26 1HG GLU 4 1HG GLU 4 16.789 5.393 -5.154 27 2HG GLU 4 2HG GLU 4 17.102 3.970 -4.168 28 H GLU 5 H GLU 5 17.110 2.994 -2.764 29 HA GLU 5 HA GLU 5 16.423 0.599 -3.970 30 1HB GLU 5 1HB GLU 5 18.640 1.000 -4.128 31 2HB GLU 5 2HB GLU 5 18.837 1.496 -2.475 32 1HG GLU 5 1HG GLU 5 18.944 -0.909 -1.712 33 2HG GLU 5 2HG GLU 5 18.580 -1.479 -3.330 34 H GLU 6 H GLU 6 16.282 1.020 -0.483 35 HA GLU 6 HA GLU 6 15.742 -1.797 0.134 36 1HB GLU 6 1HB GLU 6 16.551 0.381 1.580 37 2HB GLU 6 2HB GLU 6 14.910 0.272 2.141 38 1HG GLU 6 1HG GLU 6 15.270 -1.871 3.216 39 2HG GLU 6 2HG GLU 6 16.669 -2.261 2.232 40 H LEU 7 H LEU 7 13.459 0.953 0.209 41 HA LEU 7 HA LEU 7 10.924 -0.634 0.235 42 1HB LEU 7 1HB LEU 7 11.530 2.208 -0.750 43 2HB LEU 7 2HB LEU 7 9.925 1.519 -0.721 44 HG LEU 7 HG LEU 7 11.508 2.709 1.495 45 1HD1 LEU 7 1HD1 LEU 7 9.359 3.646 0.664 46 2HD1 LEU 7 2HD1 LEU 7 8.489 2.154 1.104 47 3HD1 LEU 7 3HD1 LEU 7 9.210 3.186 2.366 48 1HD2 LEU 7 1HD2 LEU 7 9.932 0.092 2.077 49 2HD2 LEU 7 2HD2 LEU 7 11.672 0.375 2.354 50 3HD2 LEU 7 3HD2 LEU 7 10.481 1.257 3.312 51 H ALA 8 H ALA 8 13.226 0.207 -2.327 52 HA ALA 8 HA ALA 8 11.779 -0.905 -4.562 53 1HB ALA 8 1HB ALA 8 14.815 -0.865 -3.960 54 2HB ALA 8 2HB ALA 8 14.093 -1.169 -5.553 55 3HB ALA 8 3HB ALA 8 13.868 0.402 -4.775 56 H ASN 9 H ASN 9 14.509 -2.853 -3.242 57 HA ASN 9 HA ASN 9 13.732 -5.477 -3.526 58 1HB ASN 9 1HB ASN 9 14.818 -4.177 -0.937 59 2HB ASN 9 2HB ASN 9 14.668 -5.903 -1.112 60 1HD2 ASN 9 1HD2 ASN 9 17.999 -5.759 -2.302 61 2HD2 ASN 9 2HD2 ASN 9 16.860 -6.287 -0.984 62 H ALA 10 H ALA 10 12.201 -3.429 -1.025 63 HA ALA 10 HA ALA 10 10.587 -5.632 0.213 64 1HB ALA 10 1HB ALA 10 11.455 -3.666 1.495 65 2HB ALA 10 2HB ALA 10 10.435 -2.556 0.543 66 3HB ALA 10 3HB ALA 10 9.687 -3.765 1.609 67 H PHE 11 H PHE 11 9.668 -2.794 -1.805 68 HA PHE 11 HA PHE 11 6.898 -3.513 -2.253 69 1HB PHE 11 1HB PHE 11 7.866 -1.258 -2.639 70 2HB PHE 11 2HB PHE 11 8.808 -1.841 -3.969 71 HD1 PHE 11 HD1 PHE 11 6.781 -3.501 -5.513 72 HD2 PHE 11 HD2 PHE 11 6.384 0.365 -3.667 73 HE1 PHE 11 HE1 PHE 11 4.973 -2.928 -7.080 74 HE2 PHE 11 HE2 PHE 11 4.587 0.926 -5.256 75 HZ PHE 11 HZ PHE 11 3.916 -0.704 -6.996 76 H ARG 12 H ARG 12 9.598 -4.107 -4.591 77 HA ARG 12 HA ARG 12 8.401 -5.956 -6.325 78 1HB ARG 12 1HB ARG 12 10.912 -5.099 -6.082 79 2HB ARG 12 2HB ARG 12 11.179 -6.615 -5.229 80 1HG ARG 12 1HG ARG 12 10.560 -7.952 -7.192 81 2HG ARG 12 2HG ARG 12 9.853 -6.563 -8.027 82 1HD ARG 12 1HD ARG 12 12.110 -5.491 -8.271 83 2HD ARG 12 2HD ARG 12 12.861 -6.810 -7.331 84 HE ARG 12 HE ARG 12 11.925 -8.426 -9.201 85 1HH1 ARG 12 2HH1 ARG 12 12.562 -5.104 -9.956 86 2HH1 ARG 12 1HH1 ARG 12 12.726 -5.457 -11.744 87 1HH2 ARG 12 1HH2 ARG 12 12.126 -8.802 -11.198 88 2HH2 ARG 12 2HH2 ARG 12 12.491 -7.479 -12.399 89 H ILE 13 H ILE 13 9.448 -6.726 -3.020 90 HA ILE 13 HA ILE 13 9.100 -9.678 -3.279 91 HB ILE 13 HB ILE 13 9.733 -7.853 -0.914 92 1HG1 ILE 13 1HG1 ILE 13 11.509 -8.785 -2.789 93 2HG1 ILE 13 2HG1 ILE 13 11.943 -8.433 -1.138 94 1HG2 ILE 13 1HG2 ILE 13 8.353 -9.739 0.043 95 2HG2 ILE 13 2HG2 ILE 13 9.395 -10.940 -0.755 96 3HG2 ILE 13 3HG2 ILE 13 10.023 -9.914 0.549 97 1HD1 ILE 13 1HD1 ILE 13 11.686 -10.840 -0.450 98 2HD1 ILE 13 2HD1 ILE 13 11.303 -11.274 -2.135 99 3HD1 ILE 13 3HD1 ILE 13 12.898 -10.610 -1.731 100 H PHE 14 H PHE 14 7.123 -7.019 -2.138 101 HA PHE 14 HA PHE 14 4.834 -8.485 -0.922 102 1HB PHE 14 1HB PHE 14 5.123 -5.752 -2.314 103 2HB PHE 14 2HB PHE 14 3.560 -6.352 -1.867 104 HD1 PHE 14 HD1 PHE 14 5.682 -7.620 0.667 105 HD2 PHE 14 HD2 PHE 14 3.928 -3.934 -0.669 106 HE1 PHE 14 HE1 PHE 14 5.882 -6.698 2.942 107 HE2 PHE 14 HE2 PHE 14 4.151 -3.009 1.603 108 HZ PHE 14 HZ PHE 14 5.093 -4.406 3.424 109 H ASP 15 H ASP 15 5.724 -7.627 -4.253 110 HA ASP 15 HA ASP 15 3.049 -7.949 -5.345 111 1HB ASP 15 1HB ASP 15 4.767 -6.368 -6.210 112 2HB ASP 15 2HB ASP 15 5.775 -7.695 -6.768 113 H LYS 16 H LYS 16 2.494 -9.263 -7.284 114 HA LYS 16 HA LYS 16 3.643 -12.085 -7.236 115 1HB LYS 16 1HB LYS 16 1.523 -12.848 -7.231 116 2HB LYS 16 2HB LYS 16 0.852 -11.253 -7.426 117 1HG LYS 16 1HG LYS 16 0.183 -11.793 -9.568 118 2HG LYS 16 2HG LYS 16 1.843 -12.136 -10.039 119 1HD LYS 16 1HD LYS 16 0.343 -14.110 -10.424 120 2HD LYS 16 2HD LYS 16 1.698 -14.451 -9.351 121 1HE LYS 16 1HE LYS 16 -0.807 -13.668 -7.886 122 2HE LYS 16 2HE LYS 16 -0.898 -15.220 -8.743 123 1HZ LYS 16 1HZ LYS 16 1.588 -15.498 -7.639 124 2HZ LYS 16 2HZ LYS 16 0.966 -14.447 -6.526 125 3HZ LYS 16 3HZ LYS 16 0.228 -15.873 -6.794 126 H ASN 17 H ASN 17 1.970 -10.220 -9.777 127 HA ASN 17 HA ASN 17 3.742 -11.433 -11.795 128 1HB ASN 17 1HB ASN 17 1.379 -11.400 -12.207 129 2HB ASN 17 2HB ASN 17 1.243 -9.678 -11.976 130 1HD2 ASN 17 1HD2 ASN 17 1.485 -9.112 -15.416 131 2HD2 ASN 17 2HD2 ASN 17 0.766 -8.660 -13.836 132 H ALA 18 H ALA 18 3.163 -7.989 -10.940 133 HA ALA 18 HA ALA 18 4.940 -6.411 -10.469 134 1HB ALA 18 1HB ALA 18 6.303 -8.490 -10.040 135 2HB ALA 18 2HB ALA 18 6.712 -8.572 -11.768 136 3HB ALA 18 3HB ALA 18 7.287 -7.206 -10.796 137 H ASP 19 H ASP 19 3.406 -5.750 -12.588 138 HA ASP 19 HA ASP 19 5.287 -4.445 -14.595 139 1HB ASP 19 1HB ASP 19 2.289 -3.841 -14.323 140 2HB ASP 19 2HB ASP 19 3.317 -3.664 -15.739 141 H GLY 20 H GLY 20 5.352 -3.996 -11.601 142 1HA GLY 20 1HA GLY 20 6.412 -2.065 -10.506 143 2HA GLY 20 2HA GLY 20 5.697 -1.006 -11.728 144 H TYR 21 H TYR 21 3.218 -2.899 -10.488 145 HA TYR 21 HA TYR 21 2.208 -0.489 -8.849 146 1HB TYR 21 1HB TYR 21 0.529 -2.379 -10.619 147 2HB TYR 21 2HB TYR 21 -0.104 -1.102 -9.623 148 HD1 TYR 21 HD1 TYR 21 0.073 1.272 -10.280 149 HD2 TYR 21 HD2 TYR 21 1.697 -1.814 -12.798 150 HE1 TYR 21 HE1 TYR 21 0.218 2.864 -12.154 151 HE2 TYR 21 HE2 TYR 21 1.850 -0.189 -14.655 152 HH TYR 21 HH TYR 21 1.474 3.182 -14.184 153 H ILE 22 H ILE 22 0.804 -0.932 -7.056 154 HA ILE 22 HA ILE 22 0.252 -3.870 -6.350 155 HB ILE 22 HB ILE 22 0.610 -1.454 -4.509 156 1HG1 ILE 22 1HG1 ILE 22 2.142 -4.118 -4.765 157 2HG1 ILE 22 2HG1 ILE 22 2.766 -2.505 -4.980 158 1HG2 ILE 22 1HG2 ILE 22 -1.387 -2.765 -3.660 159 2HG2 ILE 22 2HG2 ILE 22 -0.430 -4.259 -3.659 160 3HG2 ILE 22 3HG2 ILE 22 -0.039 -2.922 -2.547 161 1HD1 ILE 22 1HD1 ILE 22 2.406 -1.977 -2.514 162 2HD1 ILE 22 2HD1 ILE 22 1.962 -3.685 -2.260 163 3HD1 ILE 22 3HD1 ILE 22 3.589 -3.269 -2.838 164 H ASP 23 H ASP 23 -1.868 -4.446 -5.661 165 HA ASP 23 HA ASP 23 -4.012 -2.639 -6.889 166 1HB ASP 23 1HB ASP 23 -4.878 -4.449 -8.248 167 2HB ASP 23 2HB ASP 23 -3.144 -4.381 -8.531 168 H ILE 24 H ILE 24 -6.288 -3.743 -6.478 169 HA ILE 24 HA ILE 24 -6.690 -3.221 -3.547 170 HB ILE 24 HB ILE 24 -8.301 -2.595 -5.532 171 1HG1 ILE 24 1HG1 ILE 24 -10.402 -3.105 -3.843 172 2HG1 ILE 24 2HG1 ILE 24 -9.116 -3.438 -2.716 173 1HG2 ILE 24 1HG2 ILE 24 -8.712 -4.935 -6.423 174 2HG2 ILE 24 2HG2 ILE 24 -9.426 -5.415 -4.871 175 3HG2 ILE 24 3HG2 ILE 24 -10.222 -4.204 -5.908 176 1HD1 ILE 24 1HD1 ILE 24 -8.092 -1.143 -3.126 177 2HD1 ILE 24 2HD1 ILE 24 -9.519 -0.729 -4.108 178 3HD1 ILE 24 3HD1 ILE 24 -9.714 -1.113 -2.385 179 H GLU 25 H GLU 25 -6.629 -6.063 -5.633 180 HA GLU 25 HA GLU 25 -7.557 -7.970 -3.510 181 1HB GLU 25 1HB GLU 25 -7.132 -8.072 -6.406 182 2HB GLU 25 2HB GLU 25 -6.446 -9.479 -5.651 183 1HG GLU 25 1HG GLU 25 -8.546 -10.399 -5.116 184 2HG GLU 25 2HG GLU 25 -9.277 -8.850 -4.739 185 H GLU 26 H GLU 26 -4.469 -6.798 -4.599 186 HA GLU 26 HA GLU 26 -2.866 -8.607 -2.820 187 1HB GLU 26 1HB GLU 26 -2.139 -6.093 -4.373 188 2HB GLU 26 2HB GLU 26 -1.020 -6.827 -3.265 189 1HG GLU 26 1HG GLU 26 -1.395 -9.062 -4.737 190 2HG GLU 26 2HG GLU 26 -2.050 -7.963 -5.938 191 H LEU 27 H LEU 27 -4.711 -5.750 -2.337 192 HA LEU 27 HA LEU 27 -3.059 -4.433 -0.307 193 1HB LEU 27 1HB LEU 27 -4.648 -3.277 -1.826 194 2HB LEU 27 2HB LEU 27 -6.015 -4.020 -1.036 195 HG LEU 27 HG LEU 27 -4.345 -2.537 0.934 196 1HD1 LEU 27 1HD1 LEU 27 -3.784 -1.139 -1.057 197 2HD1 LEU 27 2HD1 LEU 27 -5.517 -0.892 -1.416 198 3HD1 LEU 27 3HD1 LEU 27 -4.791 -0.253 0.087 199 1HD2 LEU 27 1HD2 LEU 27 -7.308 -2.179 0.058 200 2HD2 LEU 27 2HD2 LEU 27 -6.725 -3.210 1.399 201 3HD2 LEU 27 3HD2 LEU 27 -6.532 -1.455 1.494 202 H GLY 28 H GLY 28 -6.332 -5.765 0.310 203 1HA GLY 28 1HA GLY 28 -6.174 -5.639 3.286 204 2HA GLY 28 2HA GLY 28 -7.377 -6.540 2.354 205 H GLU 29 H GLU 29 -5.311 -8.103 0.922 206 HA GLU 29 HA GLU 29 -4.695 -10.375 2.708 207 1HB GLU 29 1HB GLU 29 -4.790 -10.923 0.457 208 2HB GLU 29 2HB GLU 29 -3.846 -9.565 -0.074 209 1HG GLU 29 1HG GLU 29 -1.801 -10.829 1.190 210 2HG GLU 29 2HG GLU 29 -2.842 -12.236 1.076 211 H ILE 30 H ILE 30 -2.536 -7.790 1.515 212 HA ILE 30 HA ILE 30 -0.178 -8.346 3.215 213 HB ILE 30 HB ILE 30 -1.178 -5.858 1.788 214 1HG1 ILE 30 1HG1 ILE 30 1.341 -7.611 1.519 215 2HG1 ILE 30 2HG1 ILE 30 0.092 -7.340 0.334 216 1HG2 ILE 30 1HG2 ILE 30 -0.264 -4.965 3.962 217 2HG2 ILE 30 2HG2 ILE 30 1.257 -5.861 3.711 218 3HG2 ILE 30 3HG2 ILE 30 0.791 -4.523 2.623 219 1HD1 ILE 30 1HD1 ILE 30 2.086 -5.121 1.151 220 2HD1 ILE 30 2HD1 ILE 30 2.110 -6.107 -0.327 221 3HD1 ILE 30 3HD1 ILE 30 0.769 -4.979 -0.043 222 H LEU 31 H LEU 31 -2.733 -5.866 3.745 223 HA LEU 31 HA LEU 31 -1.675 -5.247 6.486 224 1HB LEU 31 1HB LEU 31 -4.332 -4.149 5.579 225 2HB LEU 31 2HB LEU 31 -3.057 -3.366 6.480 226 HG LEU 31 HG LEU 31 -2.011 -3.908 3.814 227 1HD1 LEU 31 1HD1 LEU 31 -4.795 -2.557 3.829 228 2HD1 LEU 31 2HD1 LEU 31 -3.647 -2.542 2.463 229 3HD1 LEU 31 3HD1 LEU 31 -4.324 -4.076 3.016 230 1HD2 LEU 31 1HD2 LEU 31 -2.833 -1.267 5.222 231 2HD2 LEU 31 2HD2 LEU 31 -1.205 -2.000 5.190 232 3HD2 LEU 31 3HD2 LEU 31 -1.908 -1.364 3.700 233 H ARG 32 H ARG 32 -3.645 -7.791 5.511 234 HA ARG 32 HA ARG 32 -4.545 -8.163 8.399 235 1HB ARG 32 1HB ARG 32 -6.147 -8.540 6.617 236 2HB ARG 32 2HB ARG 32 -5.053 -9.587 5.716 237 1HG ARG 32 1HG ARG 32 -6.569 -11.118 6.741 238 2HG ARG 32 2HG ARG 32 -5.177 -11.172 7.838 239 1HD ARG 32 1HD ARG 32 -6.250 -9.786 9.513 240 2HD ARG 32 2HD ARG 32 -7.446 -9.149 8.362 241 HE ARG 32 HE ARG 32 -7.631 -12.125 8.623 242 1HH1 ARG 32 2HH1 ARG 32 -8.735 -9.158 10.053 243 2HH1 ARG 32 1HH1 ARG 32 -10.177 -9.977 10.819 244 1HH2 ARG 32 1HH2 ARG 32 -9.262 -13.014 9.508 245 2HH2 ARG 32 2HH2 ARG 32 -10.431 -12.057 10.529 246 H ALA 33 H ALA 33 -2.454 -9.802 6.000 247 HA ALA 33 HA ALA 33 -1.377 -11.699 8.070 248 1HB ALA 33 1HB ALA 33 -2.193 -12.499 5.858 249 2HB ALA 33 2HB ALA 33 -0.962 -11.523 5.012 250 3HB ALA 33 3HB ALA 33 -0.474 -12.877 6.053 251 H THR 34 H THR 34 0.897 -12.315 8.117 252 HA THR 34 HA THR 34 2.280 -9.946 9.181 253 HB THR 34 HB THR 34 4.073 -11.753 9.877 254 HG1 THR 34 HG1 THR 34 3.659 -13.582 8.982 255 1HG2 THR 34 2HG2 THR 34 2.239 -10.728 11.375 256 2HG2 THR 34 3HG2 THR 34 1.159 -12.063 10.893 257 3HG2 THR 34 1HG2 THR 34 2.638 -12.411 11.807 258 H GLY 35 H GLY 35 4.878 -9.859 8.892 259 1HA GLY 35 1HA GLY 35 5.496 -9.603 5.952 260 2HA GLY 35 2HA GLY 35 5.136 -8.052 6.719 261 1HN NH2 36 1HN NH2 36 7.630 -8.555 5.451 262 2HN NH2 36 2HN NH2 36 8.913 -8.547 6.691 263 1H ACE 37 1HH3 ACE 37 -16.749 -1.352 13.386 264 2H ACE 37 2HH3 ACE 37 -15.991 -2.377 14.653 265 3H ACE 37 3HH3 ACE 37 -15.827 -0.603 14.717 266 H VAL 38 H VAL 38 -14.852 -3.464 12.788 267 HA VAL 38 HA VAL 38 -13.083 -1.674 11.020 268 HB VAL 38 HB VAL 38 -11.436 -3.702 11.047 269 1HG1 VAL 38 1HG1 VAL 38 -11.686 -1.824 13.509 270 2HG1 VAL 38 2HG1 VAL 38 -10.235 -2.779 13.124 271 3HG1 VAL 38 3HG1 VAL 38 -10.771 -1.506 12.024 272 1HG2 VAL 38 1HG2 VAL 38 -12.827 -5.332 12.398 273 2HG2 VAL 38 2HG2 VAL 38 -11.309 -4.952 13.241 274 3HG2 VAL 38 3HG2 VAL 38 -12.835 -4.199 13.767 275 H THR 39 H THR 39 -14.978 -1.838 9.601 276 HA THR 39 HA THR 39 -15.725 -4.546 8.406 277 HB THR 39 HB THR 39 -17.693 -3.281 8.788 278 HG1 THR 39 HG1 THR 39 -17.070 -2.494 6.140 279 1HG2 THR 39 2HG2 THR 39 -16.306 -0.839 7.473 280 2HG2 THR 39 3HG2 THR 39 -17.992 -0.879 8.048 281 3HG2 THR 39 1HG2 THR 39 -16.654 -1.032 9.207 282 H GLU 40 H GLU 40 -15.801 -4.599 5.964 283 HA GLU 40 HA GLU 40 -13.270 -3.679 4.711 284 1HB GLU 40 1HB GLU 40 -15.536 -4.993 3.175 285 2HB GLU 40 2HB GLU 40 -13.838 -5.001 2.805 286 1HG GLU 40 1HG GLU 40 -13.988 -7.169 3.665 287 2HG GLU 40 2HG GLU 40 -13.684 -6.370 5.197 288 H GLU 41 H GLU 41 -16.591 -2.409 4.501 289 HA GLU 41 HA GLU 41 -16.082 -0.265 2.692 290 1HB GLU 41 1HB GLU 41 -18.087 -0.927 4.652 291 2HB GLU 41 2HB GLU 41 -17.725 0.761 4.849 292 1HG GLU 41 1HG GLU 41 -19.293 1.121 3.190 293 2HG GLU 41 2HG GLU 41 -18.067 0.618 2.040 294 H ASP 42 H ASP 42 -14.558 -0.683 5.711 295 HA ASP 42 HA ASP 42 -13.531 2.178 5.917 296 1HB ASP 42 1HB ASP 42 -13.176 -0.322 7.673 297 2HB ASP 42 2HB ASP 42 -12.177 1.106 7.903 298 H ILE 43 H ILE 43 -12.235 -1.086 5.194 299 HA ILE 43 HA ILE 43 -9.708 -0.312 3.966 300 HB ILE 43 HB ILE 43 -11.611 -2.606 3.405 301 1HG1 ILE 43 1HG1 ILE 43 -10.166 -3.133 5.250 302 2HG1 ILE 43 2HG1 ILE 43 -9.508 -4.004 3.891 303 1HG2 ILE 43 1HG2 ILE 43 -10.784 -2.012 1.094 304 2HG2 ILE 43 2HG2 ILE 43 -9.103 -2.030 1.661 305 3HG2 ILE 43 3HG2 ILE 43 -10.063 -3.530 1.609 306 1HD1 ILE 43 1HD1 ILE 43 -7.717 -2.251 3.534 307 2HD1 ILE 43 2HD1 ILE 43 -8.269 -1.416 5.010 308 3HD1 ILE 43 3HD1 ILE 43 -7.628 -3.071 5.109 309 H GLU 44 H GLU 44 -12.993 -0.018 2.716 310 HA GLU 44 HA GLU 44 -12.231 1.094 0.039 311 1HB GLU 44 1HB GLU 44 -14.750 0.409 1.430 312 2HB GLU 44 2HB GLU 44 -14.889 1.867 0.497 313 1HG GLU 44 1HG GLU 44 -13.594 -0.332 -1.090 314 2HG GLU 44 2HG GLU 44 -15.173 -0.796 -0.483 315 H ASP 45 H ASP 45 -12.842 2.430 3.209 316 HA ASP 45 HA ASP 45 -12.928 5.329 2.442 317 1HB ASP 45 1HB ASP 45 -12.641 3.783 5.073 318 2HB ASP 45 2HB ASP 45 -12.335 5.514 5.039 319 H LEU 46 H LEU 46 -10.378 3.115 3.571 320 HA LEU 46 HA LEU 46 -8.076 4.969 3.376 321 1HB LEU 46 1HB LEU 46 -8.069 2.789 4.571 322 2HB LEU 46 2HB LEU 46 -8.202 1.910 3.066 323 HG LEU 46 HG LEU 46 -5.823 2.284 4.350 324 1HD1 LEU 46 1HD1 LEU 46 -6.547 1.021 2.050 325 2HD1 LEU 46 2HD1 LEU 46 -5.635 2.381 1.334 326 3HD1 LEU 46 3HD1 LEU 46 -4.835 1.300 2.485 327 1HD2 LEU 46 1HD2 LEU 46 -6.085 4.882 3.793 328 2HD2 LEU 46 2HD2 LEU 46 -4.489 4.109 3.564 329 3HD2 LEU 46 3HD2 LEU 46 -5.565 4.421 2.170 330 H MET 47 H MET 47 -9.152 2.592 0.946 331 HA MET 47 HA MET 47 -7.005 3.270 -0.916 332 1HB MET 47 1HB MET 47 -8.047 1.016 -0.787 333 2HB MET 47 2HB MET 47 -9.568 1.646 -1.398 334 1HG MET 47 1HG MET 47 -8.828 0.998 -3.477 335 2HG MET 47 2HG MET 47 -7.846 2.474 -3.445 336 1HE MET 47 1HE MET 47 -7.353 -0.154 -5.107 337 2HE MET 47 2HE MET 47 -6.254 1.251 -5.218 338 3HE MET 47 3HE MET 47 -5.576 -0.382 -4.954 339 H LYS 48 H LYS 48 -10.393 4.307 -0.822 340 HA LYS 48 HA LYS 48 -10.183 5.839 -3.406 341 1HB LYS 48 1HB LYS 48 -12.273 4.732 -1.628 342 2HB LYS 48 2HB LYS 48 -12.744 6.307 -2.186 343 1HG LYS 48 1HG LYS 48 -13.678 4.884 -3.877 344 2HG LYS 48 2HG LYS 48 -12.197 5.381 -4.631 345 1HD LYS 48 1HD LYS 48 -11.556 3.006 -3.078 346 2HD LYS 48 2HD LYS 48 -12.984 2.615 -3.976 347 1HE LYS 48 1HE LYS 48 -10.234 3.548 -5.099 348 2HE LYS 48 2HE LYS 48 -10.977 1.969 -5.283 349 1HZ LYS 48 1HZ LYS 48 -12.892 3.174 -6.573 350 2HZ LYS 48 2HZ LYS 48 -11.952 4.509 -6.572 351 3HZ LYS 48 3HZ LYS 48 -11.433 3.233 -7.355 352 H ASP 49 H ASP 49 -9.972 6.545 -0.006 353 HA ASP 49 HA ASP 49 -9.797 9.544 -0.335 354 1HB ASP 49 1HB ASP 49 -10.282 8.382 1.896 355 2HB ASP 49 2HB ASP 49 -8.621 7.807 1.929 356 H SER 50 H SER 50 -7.486 6.821 -0.502 357 HA SER 50 HA SER 50 -5.071 8.649 -0.474 358 1HB SER 50 1HB SER 50 -4.585 6.683 0.728 359 2HB SER 50 2HB SER 50 -5.539 5.640 -0.322 360 HG SER 50 HG SER 50 -3.175 5.510 -0.467 361 H ASP 51 H ASP 51 -6.849 6.631 -2.785 362 HA ASP 51 HA ASP 51 -4.922 6.810 -4.968 363 1HB ASP 51 1HB ASP 51 -6.613 4.968 -4.622 364 2HB ASP 51 2HB ASP 51 -7.916 6.058 -5.076 365 H LYS 52 H LYS 52 -4.322 8.636 -5.926 366 HA LYS 52 HA LYS 52 -6.033 11.129 -5.937 367 1HB LYS 52 1HB LYS 52 -3.263 10.705 -7.165 368 2HB LYS 52 2HB LYS 52 -3.979 12.243 -6.795 369 1HG LYS 52 1HG LYS 52 -3.560 11.970 -4.390 370 2HG LYS 52 2HG LYS 52 -3.544 10.239 -4.502 371 1HD LYS 52 1HD LYS 52 -1.308 10.259 -4.462 372 2HD LYS 52 2HD LYS 52 -1.293 10.802 -6.108 373 1HE LYS 52 1HE LYS 52 0.184 12.304 -4.810 374 2HE LYS 52 2HE LYS 52 -1.235 13.251 -5.253 375 1HZ LYS 52 1HZ LYS 52 -1.269 11.782 -2.620 376 2HZ LYS 52 2HZ LYS 52 -0.473 13.151 -2.659 377 3HZ LYS 52 3HZ LYS 52 -2.097 13.140 -2.987 378 H ASN 53 H ASN 53 -4.112 9.717 -8.592 379 HA ASN 53 HA ASN 53 -5.559 11.145 -10.620 380 1HB ASN 53 1HB ASN 53 -4.065 10.085 -12.215 381 2HB ASN 53 2HB ASN 53 -3.161 10.242 -10.735 382 1HD2 ASN 53 1HD2 ASN 53 -2.667 6.805 -12.134 383 2HD2 ASN 53 2HD2 ASN 53 -2.514 8.486 -12.814 384 H ASN 54 H ASN 54 -6.492 8.166 -9.211 385 HA ASN 54 HA ASN 54 -8.577 6.979 -9.380 386 1HB ASN 54 1HB ASN 54 -9.173 9.722 -10.660 387 2HB ASN 54 2HB ASN 54 -10.425 8.516 -10.552 388 1HD2 ASN 54 1HD2 ASN 54 -10.491 8.814 -6.889 389 2HD2 ASN 54 2HD2 ASN 54 -10.442 7.495 -8.143 390 H ASP 55 H ASP 55 -7.011 5.742 -11.081 391 HA ASP 55 HA ASP 55 -8.982 4.972 -13.298 392 1HB ASP 55 1HB ASP 55 -7.196 4.084 -14.547 393 2HB ASP 55 2HB ASP 55 -6.436 5.471 -13.778 394 H GLY 56 H GLY 56 -7.083 3.523 -10.644 395 1HA GLY 56 1HA GLY 56 -9.151 1.920 -9.522 396 2HA GLY 56 2HA GLY 56 -8.409 0.826 -10.696 397 H ARG 57 H ARG 57 -5.708 2.332 -9.950 398 HA ARG 57 HA ARG 57 -5.054 0.011 -8.045 399 1HB ARG 57 1HB ARG 57 -3.923 0.792 -10.755 400 2HB ARG 57 2HB ARG 57 -2.818 0.070 -9.586 401 1HG ARG 57 1HG ARG 57 -3.914 -2.036 -9.632 402 2HG ARG 57 2HG ARG 57 -5.498 -1.342 -9.971 403 1HD ARG 57 1HD ARG 57 -4.289 -0.669 -12.350 404 2HD ARG 57 2HD ARG 57 -3.217 -1.992 -11.896 405 HE ARG 57 HE ARG 57 -5.706 -3.177 -11.309 406 1HH1 ARG 57 2HH1 ARG 57 -4.390 -1.854 -14.229 407 2HH1 ARG 57 1HH1 ARG 57 -5.218 -3.149 -15.242 408 1HH2 ARG 57 1HH2 ARG 57 -6.694 -4.471 -12.450 409 2HH2 ARG 57 2HH2 ARG 57 -6.523 -4.528 -14.273 410 H ILE 58 H ILE 58 -2.999 0.141 -6.869 411 HA ILE 58 HA ILE 58 -1.870 2.923 -6.412 412 HB ILE 58 HB ILE 58 -1.579 0.298 -4.881 413 1HG1 ILE 58 1HG1 ILE 58 -2.700 3.068 -4.098 414 2HG1 ILE 58 2HG1 ILE 58 -3.611 1.601 -4.319 415 1HG2 ILE 58 1HG2 ILE 58 0.718 1.367 -4.879 416 2HG2 ILE 58 2HG2 ILE 58 0.026 2.891 -4.287 417 3HG2 ILE 58 3HG2 ILE 58 0.005 1.430 -3.271 418 1HD1 ILE 58 1HD1 ILE 58 -2.469 0.501 -2.338 419 2HD1 ILE 58 2HD1 ILE 58 -1.625 2.036 -2.007 420 3HD1 ILE 58 3HD1 ILE 58 -3.399 1.962 -1.920 421 H ASP 59 H ASP 59 0.235 3.508 -6.868 422 HA ASP 59 HA ASP 59 2.216 1.324 -7.708 423 1HB ASP 59 1HB ASP 59 3.305 2.891 -9.255 424 2HB ASP 59 2HB ASP 59 1.591 2.800 -9.633 425 H PHE 60 H PHE 60 4.402 3.357 -7.666 426 HA PHE 60 HA PHE 60 5.324 2.404 -4.988 427 1HB PHE 60 1HB PHE 60 6.612 2.479 -7.297 428 2HB PHE 60 2HB PHE 60 6.948 4.138 -6.935 429 HD1 PHE 60 HD1 PHE 60 6.977 2.575 -3.746 430 HD2 PHE 60 HD2 PHE 60 9.312 2.851 -7.341 431 HE1 PHE 60 HE1 PHE 60 9.028 2.089 -2.461 432 HE2 PHE 60 HE2 PHE 60 11.338 2.311 -6.067 433 HZ PHE 60 HZ PHE 60 11.209 1.925 -3.626 434 H ASP 61 H ASP 61 4.747 5.607 -6.386 435 HA ASP 61 HA ASP 61 5.440 7.416 -4.210 436 1HB ASP 61 1HB ASP 61 2.848 7.752 -5.921 437 2HB ASP 61 2HB ASP 61 4.107 8.883 -5.485 438 H GLU 62 H GLU 62 2.151 6.359 -4.870 439 HA GLU 62 HA GLU 62 0.816 6.615 -2.332 440 1HB GLU 62 1HB GLU 62 0.317 4.116 -3.943 441 2HB GLU 62 2HB GLU 62 -0.809 5.104 -3.062 442 1HG GLU 62 1HG GLU 62 -0.285 6.962 -4.958 443 2HG GLU 62 2HG GLU 62 0.357 5.609 -5.870 444 H PHE 63 H PHE 63 3.081 3.992 -3.226 445 HA PHE 63 HA PHE 63 2.535 2.171 -0.931 446 1HB PHE 63 1HB PHE 63 3.716 1.553 -3.101 447 2HB PHE 63 2HB PHE 63 5.082 2.507 -2.631 448 HD1 PHE 63 HD1 PHE 63 6.271 1.948 -0.327 449 HD2 PHE 63 HD2 PHE 63 3.856 -0.843 -2.540 450 HE1 PHE 63 HE1 PHE 63 7.381 0.089 0.798 451 HE2 PHE 63 HE2 PHE 63 5.010 -2.705 -1.415 452 HZ PHE 63 HZ PHE 63 6.677 -2.242 0.355 453 H LEU 64 H LEU 64 4.800 4.854 -1.425 454 HA LEU 64 HA LEU 64 6.169 4.727 1.164 455 1HB LEU 64 1HB LEU 64 5.789 7.064 -0.781 456 2HB LEU 64 2HB LEU 64 6.808 7.175 0.632 457 HG LEU 64 HG LEU 64 7.300 4.995 -1.471 458 1HD1 LEU 64 1HD1 LEU 64 8.305 7.924 -1.540 459 2HD1 LEU 64 2HD1 LEU 64 8.963 6.597 -2.535 460 3HD1 LEU 64 3HD1 LEU 64 7.277 7.084 -2.733 461 1HD2 LEU 64 1HD2 LEU 64 9.160 6.385 0.594 462 2HD2 LEU 64 2HD2 LEU 64 8.607 4.686 0.621 463 3HD2 LEU 64 3HD2 LEU 64 9.704 5.235 -0.653 464 H LYS 65 H LYS 65 3.277 6.581 0.232 465 HA LYS 65 HA LYS 65 2.843 7.777 2.930 466 1HB LYS 65 1HB LYS 65 1.325 9.017 1.773 467 2HB LYS 65 2HB LYS 65 2.238 8.447 0.389 468 1HG LYS 65 1HG LYS 65 0.149 7.923 -0.464 469 2HG LYS 65 2HG LYS 65 0.210 6.502 0.594 470 1HD LYS 65 1HD LYS 65 -1.826 7.498 1.231 471 2HD LYS 65 2HD LYS 65 -0.733 8.008 2.521 472 1HE LYS 65 1HE LYS 65 -0.800 10.314 1.758 473 2HE LYS 65 2HE LYS 65 -1.200 9.842 0.096 474 1HZ LYS 65 1HZ LYS 65 -3.436 8.872 1.240 475 2HZ LYS 65 2HZ LYS 65 -3.059 9.871 2.472 476 3HZ LYS 65 3HZ LYS 65 -3.342 10.504 1.021 477 H MET 66 H MET 66 1.191 5.071 1.187 478 HA MET 66 HA MET 66 -0.443 4.006 3.198 479 1HB MET 66 1HB MET 66 -0.593 2.869 1.165 480 2HB MET 66 2HB MET 66 1.141 2.787 0.939 481 1HG MET 66 1HG MET 66 1.427 0.820 2.232 482 2HG MET 66 2HG MET 66 -0.060 1.064 3.168 483 1HE MET 66 1HE MET 66 1.470 0.277 -0.375 484 2HE MET 66 2HE MET 66 0.002 0.005 -1.360 485 3HE MET 66 3HE MET 66 0.351 1.635 -0.707 486 H MET 67 H MET 67 2.822 2.531 2.793 487 HA MET 67 HA MET 67 3.314 1.358 5.325 488 1HB MET 67 1HB MET 67 4.948 1.683 3.251 489 2HB MET 67 2HB MET 67 5.446 3.160 4.052 490 1HG MET 67 1HG MET 67 6.659 2.088 5.708 491 2HG MET 67 2HG MET 67 5.511 0.743 5.863 492 1HE MET 67 1HE MET 67 5.799 -1.326 5.216 493 2HE MET 67 2HE MET 67 7.048 -2.054 4.162 494 3HE MET 67 3HE MET 67 7.511 -1.338 5.739 495 H GLU 68 H GLU 68 4.268 4.754 4.663 496 HA GLU 68 HA GLU 68 5.130 5.081 7.431 497 1HB GLU 68 1HB GLU 68 6.120 6.033 5.229 498 2HB GLU 68 2HB GLU 68 5.009 7.357 5.407 499 1HG GLU 68 1HG GLU 68 6.176 8.282 7.289 500 2HG GLU 68 2HG GLU 68 6.847 6.742 7.791 501 H GLY 69 H GLY 69 2.282 6.609 5.821 502 1HA GLY 69 1HA GLY 69 0.553 8.009 6.815 503 2HA GLY 69 2HA GLY 69 1.308 7.758 8.394 504 H VAL 70 H VAL 70 1.894 9.649 5.377 505 HA VAL 70 HA VAL 70 4.104 11.261 6.632 506 HB VAL 70 HB VAL 70 4.041 10.654 4.171 507 1HG1 VAL 70 1HG1 VAL 70 1.874 12.870 3.992 508 2HG1 VAL 70 2HG1 VAL 70 2.735 12.168 2.599 509 3HG1 VAL 70 3HG1 VAL 70 1.663 11.154 3.567 510 1HG2 VAL 70 1HG2 VAL 70 5.555 12.501 5.000 511 2HG2 VAL 70 2HG2 VAL 70 4.993 12.831 3.369 512 3HG2 VAL 70 3HG2 VAL 70 4.270 13.703 4.753 513 H GLN 71 H GLN 71 3.903 13.669 6.793 514 HA GLN 71 HA GLN 71 2.015 14.893 8.319 515 1HB GLN 71 1HB GLN 71 2.541 17.079 7.264 516 2HB GLN 71 2HB GLN 71 3.968 16.083 7.539 517 1HG GLN 71 1HG GLN 71 3.612 15.327 4.984 518 2HG GLN 71 2HG GLN 71 2.580 16.738 4.847 519 1HE2 GLN 71 1HE2 GLN 71 5.729 18.092 3.758 520 2HE2 GLN 71 2HE2 GLN 71 4.174 17.251 3.218 521 1HN NH2 72 1HN NH2 72 -0.129 15.650 8.350 522 2HN NH2 72 2HN NH2 72 -1.259 15.497 6.979 No H/Q in entry = 522 Start of MODEL 28 1 1H ACE 1 1HH3 ACE 1 22.834 8.879 -3.839 2 2H ACE 1 2HH3 ACE 1 22.793 7.463 -2.729 3 3H ACE 1 3HH3 ACE 1 22.728 7.232 -4.499 4 H LYS 2 H LYS 2 20.928 8.909 -1.913 5 HA LYS 2 HA LYS 2 18.817 10.023 -2.019 6 1HB LYS 2 1HB LYS 2 19.553 9.937 -4.614 7 2HB LYS 2 2HB LYS 2 18.176 8.869 -4.779 8 1HG LYS 2 1HG LYS 2 17.178 11.007 -5.233 9 2HG LYS 2 2HG LYS 2 16.845 10.873 -3.525 10 1HD LYS 2 1HD LYS 2 19.361 12.105 -3.438 11 2HD LYS 2 2HD LYS 2 18.761 12.729 -4.977 12 1HE LYS 2 1HE LYS 2 16.884 13.821 -4.024 13 2HE LYS 2 2HE LYS 2 16.833 12.805 -2.572 14 1HZ LYS 2 1HZ LYS 2 19.333 14.474 -2.929 15 2HZ LYS 2 2HZ LYS 2 17.962 15.262 -2.592 16 3HZ LYS 2 3HZ LYS 2 18.455 14.212 -1.542 17 H SER 3 H SER 3 16.554 9.530 -1.799 18 HA SER 3 HA SER 3 16.562 7.110 -0.086 19 1HB SER 3 1HB SER 3 14.354 9.218 -0.292 20 2HB SER 3 2HB SER 3 14.749 8.243 1.103 21 HG SER 3 HG SER 3 15.805 10.598 0.250 22 H GLU 4 H GLU 4 16.039 5.157 -0.985 23 HA GLU 4 HA GLU 4 13.555 4.573 -2.366 24 1HB GLU 4 1HB GLU 4 15.479 4.316 -4.582 25 2HB GLU 4 2HB GLU 4 13.768 4.662 -4.520 26 1HG GLU 4 1HG GLU 4 14.420 7.132 -3.864 27 2HG GLU 4 2HG GLU 4 16.083 6.701 -4.249 28 H GLU 5 H GLU 5 16.858 3.630 -1.759 29 HA GLU 5 HA GLU 5 16.849 1.102 -3.048 30 1HB GLU 5 1HB GLU 5 18.955 1.811 -2.689 31 2HB GLU 5 2HB GLU 5 18.641 2.466 -1.111 32 1HG GLU 5 1HG GLU 5 19.745 0.681 -0.169 33 2HG GLU 5 2HG GLU 5 18.517 -0.421 -0.763 34 H GLU 6 H GLU 6 16.422 1.464 0.488 35 HA GLU 6 HA GLU 6 15.898 -1.365 1.034 36 1HB GLU 6 1HB GLU 6 15.481 1.166 2.637 37 2HB GLU 6 2HB GLU 6 14.849 -0.336 3.241 38 1HG GLU 6 1HG GLU 6 17.389 -1.233 2.922 39 2HG GLU 6 2HG GLU 6 17.798 0.472 2.886 40 H LEU 7 H LEU 7 13.515 1.293 0.886 41 HA LEU 7 HA LEU 7 11.037 -0.362 0.850 42 1HB LEU 7 1HB LEU 7 11.620 2.461 -0.197 43 2HB LEU 7 2HB LEU 7 10.033 1.735 -0.250 44 HG LEU 7 HG LEU 7 10.853 3.377 1.757 45 1HD1 LEU 7 1HD1 LEU 7 8.523 2.604 1.355 46 2HD1 LEU 7 2HD1 LEU 7 8.879 1.016 2.082 47 3HD1 LEU 7 3HD1 LEU 7 8.917 2.495 3.077 48 1HD2 LEU 7 1HD2 LEU 7 11.415 0.524 2.860 49 2HD2 LEU 7 2HD2 LEU 7 12.584 1.866 2.725 50 3HD2 LEU 7 3HD2 LEU 7 11.235 1.992 3.856 51 H ALA 8 H ALA 8 13.304 0.631 -1.720 52 HA ALA 8 HA ALA 8 12.052 -0.516 -3.997 53 1HB ALA 8 1HB ALA 8 15.050 -0.510 -3.225 54 2HB ALA 8 2HB ALA 8 14.416 -0.778 -4.862 55 3HB ALA 8 3HB ALA 8 14.158 0.780 -4.066 56 H ASN 9 H ASN 9 14.691 -2.490 -2.554 57 HA ASN 9 HA ASN 9 13.963 -5.137 -2.868 58 1HB ASN 9 1HB ASN 9 14.698 -3.851 -0.146 59 2HB ASN 9 2HB ASN 9 14.730 -5.565 -0.452 60 1HD2 ASN 9 1HD2 ASN 9 17.981 -3.494 -1.331 61 2HD2 ASN 9 2HD2 ASN 9 16.628 -2.922 -0.256 62 H ALA 10 H ALA 10 12.271 -3.141 -0.401 63 HA ALA 10 HA ALA 10 10.566 -5.373 0.614 64 1HB ALA 10 1HB ALA 10 11.347 -3.454 2.018 65 2HB ALA 10 2HB ALA 10 10.382 -2.311 1.048 66 3HB ALA 10 3HB ALA 10 9.576 -3.561 2.021 67 H PHE 11 H PHE 11 9.939 -2.633 -1.601 68 HA PHE 11 HA PHE 11 7.105 -3.228 -2.081 69 1HB PHE 11 1HB PHE 11 8.208 -0.998 -2.395 70 2HB PHE 11 2HB PHE 11 9.106 -1.607 -3.744 71 HD1 PHE 11 HD1 PHE 11 5.695 -0.511 -2.690 72 HD2 PHE 11 HD2 PHE 11 8.097 -1.907 -5.975 73 HE1 PHE 11 HE1 PHE 11 3.965 0.222 -4.283 74 HE2 PHE 11 HE2 PHE 11 6.339 -1.205 -7.547 75 HZ PHE 11 HZ PHE 11 4.282 -0.134 -6.712 76 H ARG 12 H ARG 12 9.975 -4.123 -4.065 77 HA ARG 12 HA ARG 12 8.654 -5.990 -5.838 78 1HB ARG 12 1HB ARG 12 11.155 -5.206 -5.744 79 2HB ARG 12 2HB ARG 12 11.418 -6.535 -4.620 80 1HG ARG 12 1HG ARG 12 11.963 -7.067 -7.066 81 2HG ARG 12 2HG ARG 12 10.859 -8.223 -6.309 82 1HD ARG 12 1HD ARG 12 9.479 -7.895 -8.116 83 2HD ARG 12 2HD ARG 12 9.056 -6.326 -7.376 84 HE ARG 12 HE ARG 12 10.791 -5.201 -8.798 85 1HH1 ARG 12 2HH1 ARG 12 10.299 -8.530 -9.623 86 2HH1 ARG 12 1HH1 ARG 12 11.091 -8.326 -11.260 87 1HH2 ARG 12 1HH2 ARG 12 11.689 -4.997 -10.620 88 2HH2 ARG 12 2HH2 ARG 12 11.841 -6.394 -11.784 89 H ILE 13 H ILE 13 9.856 -6.652 -2.500 90 HA ILE 13 HA ILE 13 9.561 -9.611 -2.767 91 HB ILE 13 HB ILE 13 10.185 -7.819 -0.365 92 1HG1 ILE 13 1HG1 ILE 13 12.091 -8.030 -1.980 93 2HG1 ILE 13 2HG1 ILE 13 12.461 -8.741 -0.432 94 1HG2 ILE 13 1HG2 ILE 13 9.003 -9.866 0.526 95 2HG2 ILE 13 2HG2 ILE 13 10.109 -10.928 -0.377 96 3HG2 ILE 13 3HG2 ILE 13 10.700 -9.927 0.964 97 1HD1 ILE 13 1HD1 ILE 13 12.050 -11.071 -1.290 98 2HD1 ILE 13 2HD1 ILE 13 11.729 -10.410 -2.912 99 3HD1 ILE 13 3HD1 ILE 13 13.333 -10.220 -2.179 100 H PHE 14 H PHE 14 7.579 -6.999 -1.522 101 HA PHE 14 HA PHE 14 5.285 -8.532 -0.376 102 1HB PHE 14 1HB PHE 14 5.611 -5.751 -1.648 103 2HB PHE 14 2HB PHE 14 4.024 -6.379 -1.350 104 HD1 PHE 14 HD1 PHE 14 4.889 -7.885 1.365 105 HD2 PHE 14 HD2 PHE 14 5.352 -3.876 -0.104 106 HE1 PHE 14 HE1 PHE 14 5.017 -7.051 3.678 107 HE2 PHE 14 HE2 PHE 14 5.502 -3.050 2.212 108 HZ PHE 14 HZ PHE 14 5.322 -4.637 4.110 109 H ASP 15 H ASP 15 5.682 -7.037 -3.636 110 HA ASP 15 HA ASP 15 3.110 -7.895 -4.620 111 1HB ASP 15 1HB ASP 15 4.394 -5.977 -5.521 112 2HB ASP 15 2HB ASP 15 5.645 -7.036 -6.153 113 H LYS 16 H LYS 16 2.293 -9.614 -5.582 114 HA LYS 16 HA LYS 16 3.757 -12.235 -5.594 115 1HB LYS 16 1HB LYS 16 1.112 -12.083 -7.018 116 2HB LYS 16 2HB LYS 16 1.722 -13.305 -5.938 117 1HG LYS 16 1HG LYS 16 0.762 -12.260 -4.042 118 2HG LYS 16 2HG LYS 16 1.080 -10.638 -4.645 119 1HD LYS 16 1HD LYS 16 -1.121 -10.449 -5.187 120 2HD LYS 16 2HD LYS 16 -0.807 -11.598 -6.487 121 1HE LYS 16 1HE LYS 16 -2.784 -12.345 -5.226 122 2HE LYS 16 2HE LYS 16 -1.491 -13.556 -5.113 123 1HZ LYS 16 1HZ LYS 16 -1.667 -11.374 -2.994 124 2HZ LYS 16 2HZ LYS 16 -2.557 -12.758 -2.847 125 3HZ LYS 16 3HZ LYS 16 -0.932 -12.841 -2.904 126 H ASN 17 H ASN 17 1.980 -10.486 -8.171 127 HA ASN 17 HA ASN 17 3.217 -12.197 -10.216 128 1HB ASN 17 1HB ASN 17 0.789 -11.441 -10.111 129 2HB ASN 17 2HB ASN 17 1.273 -9.854 -10.647 130 1HD2 ASN 17 1HD2 ASN 17 0.010 -11.890 -13.514 131 2HD2 ASN 17 2HD2 ASN 17 -0.549 -11.926 -11.809 132 H ALA 18 H ALA 18 3.510 -8.640 -9.675 133 HA ALA 18 HA ALA 18 5.671 -7.501 -9.628 134 1HB ALA 18 1HB ALA 18 6.671 -9.789 -9.265 135 2HB ALA 18 2HB ALA 18 6.670 -10.063 -11.022 136 3HB ALA 18 3HB ALA 18 7.693 -8.790 -10.335 137 H ASP 19 H ASP 19 3.676 -7.157 -11.842 138 HA ASP 19 HA ASP 19 5.285 -6.027 -14.036 139 1HB ASP 19 1HB ASP 19 2.634 -6.468 -13.696 140 2HB ASP 19 2HB ASP 19 2.627 -4.782 -13.198 141 H GLY 20 H GLY 20 5.522 -5.195 -10.834 142 1HA GLY 20 1HA GLY 20 6.631 -3.257 -9.824 143 2HA GLY 20 2HA GLY 20 6.419 -2.373 -11.339 144 H TYR 21 H TYR 21 3.391 -3.506 -10.594 145 HA TYR 21 HA TYR 21 2.617 -1.039 -8.943 146 1HB TYR 21 1HB TYR 21 0.941 -2.808 -10.837 147 2HB TYR 21 2HB TYR 21 0.249 -1.592 -9.804 148 HD1 TYR 21 HD1 TYR 21 3.457 -0.386 -10.979 149 HD2 TYR 21 HD2 TYR 21 -0.622 -0.958 -12.217 150 HE1 TYR 21 HE1 TYR 21 3.712 1.367 -12.704 151 HE2 TYR 21 HE2 TYR 21 -0.332 0.776 -13.942 152 HH TYR 21 HH TYR 21 2.207 1.636 -15.201 153 H ILE 22 H ILE 22 1.092 -1.196 -7.259 154 HA ILE 22 HA ILE 22 0.454 -3.983 -6.135 155 HB ILE 22 HB ILE 22 0.806 -1.335 -4.635 156 1HG1 ILE 22 1HG1 ILE 22 2.402 -3.974 -4.368 157 2HG1 ILE 22 2HG1 ILE 22 2.970 -2.545 -5.188 158 1HG2 ILE 22 1HG2 ILE 22 -1.105 -2.630 -3.586 159 2HG2 ILE 22 2HG2 ILE 22 -0.075 -4.067 -3.437 160 3HG2 ILE 22 3HG2 ILE 22 0.273 -2.592 -2.499 161 1HD1 ILE 22 1HD1 ILE 22 2.845 -1.193 -3.032 162 2HD1 ILE 22 2HD1 ILE 22 2.462 -2.700 -2.162 163 3HD1 ILE 22 3HD1 ILE 22 4.015 -2.536 -3.006 164 H ASP 23 H ASP 23 -1.654 -4.215 -5.047 165 HA ASP 23 HA ASP 23 -3.808 -2.801 -6.702 166 1HB ASP 23 1HB ASP 23 -4.713 -5.054 -7.380 167 2HB ASP 23 2HB ASP 23 -3.093 -4.754 -7.996 168 H ILE 24 H ILE 24 -6.056 -3.832 -6.085 169 HA ILE 24 HA ILE 24 -6.579 -2.940 -3.257 170 HB ILE 24 HB ILE 24 -8.124 -2.614 -5.381 171 1HG1 ILE 24 1HG1 ILE 24 -8.613 -2.291 -2.632 172 2HG1 ILE 24 2HG1 ILE 24 -9.614 -1.695 -3.928 173 1HG2 ILE 24 1HG2 ILE 24 -8.486 -5.065 -5.929 174 2HG2 ILE 24 2HG2 ILE 24 -9.240 -5.322 -4.343 175 3HG2 ILE 24 3HG2 ILE 24 -10.017 -4.287 -5.568 176 1HD1 ILE 24 1HD1 ILE 24 -11.016 -3.820 -3.892 177 2HD1 ILE 24 2HD1 ILE 24 -10.130 -4.329 -2.433 178 3HD1 ILE 24 3HD1 ILE 24 -11.104 -2.844 -2.402 179 H GLU 25 H GLU 25 -6.391 -6.008 -4.993 180 HA GLU 25 HA GLU 25 -7.499 -7.657 -2.744 181 1HB GLU 25 1HB GLU 25 -6.093 -8.962 -5.061 182 2HB GLU 25 2HB GLU 25 -7.469 -9.504 -4.150 183 1HG GLU 25 1HG GLU 25 -8.857 -7.600 -5.337 184 2HG GLU 25 2HG GLU 25 -7.468 -7.353 -6.380 185 H GLU 26 H GLU 26 -4.314 -6.698 -3.781 186 HA GLU 26 HA GLU 26 -2.847 -8.449 -1.835 187 1HB GLU 26 1HB GLU 26 -1.949 -6.176 -3.642 188 2HB GLU 26 2HB GLU 26 -0.878 -6.841 -2.446 189 1HG GLU 26 1HG GLU 26 -1.145 -9.166 -3.586 190 2HG GLU 26 2HG GLU 26 -2.097 -8.395 -4.841 191 H LEU 27 H LEU 27 -4.150 -5.192 -1.766 192 HA LEU 27 HA LEU 27 -2.742 -4.171 0.564 193 1HB LEU 27 1HB LEU 27 -3.905 -2.767 -1.102 194 2HB LEU 27 2HB LEU 27 -5.465 -3.371 -0.609 195 HG LEU 27 HG LEU 27 -5.632 -1.988 1.242 196 1HD1 LEU 27 1HD1 LEU 27 -3.748 -3.062 2.479 197 2HD1 LEU 27 2HD1 LEU 27 -2.556 -2.046 1.619 198 3HD1 LEU 27 3HD1 LEU 27 -3.761 -1.316 2.719 199 1HD2 LEU 27 1HD2 LEU 27 -3.422 -0.442 -0.309 200 2HD2 LEU 27 2HD2 LEU 27 -5.178 -0.390 -0.648 201 3HD2 LEU 27 3HD2 LEU 27 -4.562 0.246 0.882 202 H GLY 28 H GLY 28 -6.256 -4.799 0.746 203 1HA GLY 28 1HA GLY 28 -6.761 -5.065 3.430 204 2HA GLY 28 2HA GLY 28 -7.532 -6.206 2.322 205 H GLU 29 H GLU 29 -5.330 -7.800 1.623 206 HA GLU 29 HA GLU 29 -5.164 -9.565 3.983 207 1HB GLU 29 1HB GLU 29 -5.366 -10.081 1.386 208 2HB GLU 29 2HB GLU 29 -3.631 -10.144 1.432 209 1HG GLU 29 1HG GLU 29 -4.135 -11.900 3.515 210 2HG GLU 29 2HG GLU 29 -5.644 -12.093 2.643 211 H ILE 30 H ILE 30 -2.796 -7.464 2.468 212 HA ILE 30 HA ILE 30 -0.404 -8.179 4.108 213 HB ILE 30 HB ILE 30 -1.169 -5.578 2.685 214 1HG1 ILE 30 1HG1 ILE 30 1.194 -7.411 1.944 215 2HG1 ILE 30 2HG1 ILE 30 -0.402 -7.729 1.320 216 1HG2 ILE 30 1HG2 ILE 30 0.316 -5.004 4.640 217 2HG2 ILE 30 2HG2 ILE 30 1.517 -6.208 4.106 218 3HG2 ILE 30 3HG2 ILE 30 1.174 -4.756 3.124 219 1HD1 ILE 30 1HD1 ILE 30 1.081 -5.075 0.754 220 2HD1 ILE 30 2HD1 ILE 30 0.875 -6.454 -0.345 221 3HD1 ILE 30 3HD1 ILE 30 -0.544 -5.527 0.179 222 H LEU 31 H LEU 31 -2.925 -5.663 4.464 223 HA LEU 31 HA LEU 31 -2.093 -4.783 7.210 224 1HB LEU 31 1HB LEU 31 -4.177 -3.489 7.239 225 2HB LEU 31 2HB LEU 31 -3.253 -3.184 5.788 226 HG LEU 31 HG LEU 31 -4.881 -5.013 4.674 227 1HD1 LEU 31 1HD1 LEU 31 -6.530 -4.054 7.110 228 2HD1 LEU 31 2HD1 LEU 31 -7.189 -4.905 5.687 229 3HD1 LEU 31 3HD1 LEU 31 -6.018 -5.721 6.728 230 1HD2 LEU 31 1HD2 LEU 31 -5.775 -2.116 5.342 231 2HD2 LEU 31 2HD2 LEU 31 -4.861 -2.648 3.902 232 3HD2 LEU 31 3HD2 LEU 31 -6.539 -3.160 4.114 233 H ARG 32 H ARG 32 -4.145 -7.351 5.996 234 HA ARG 32 HA ARG 32 -5.082 -8.107 8.759 235 1HB ARG 32 1HB ARG 32 -6.618 -8.201 6.913 236 2HB ARG 32 2HB ARG 32 -5.507 -9.101 5.882 237 1HG ARG 32 1HG ARG 32 -6.149 -11.152 6.821 238 2HG ARG 32 2HG ARG 32 -6.206 -10.488 8.464 239 1HD ARG 32 1HD ARG 32 -8.394 -9.219 7.745 240 2HD ARG 32 2HD ARG 32 -8.382 -10.215 6.273 241 HE ARG 32 HE ARG 32 -8.052 -11.897 8.716 242 1HH1 ARG 32 2HH1 ARG 32 -10.492 -10.342 6.792 243 2HH1 ARG 32 1HH1 ARG 32 -11.790 -11.484 7.381 244 1HH2 ARG 32 1HH2 ARG 32 -9.544 -13.155 9.368 245 2HH2 ARG 32 2HH2 ARG 32 -11.258 -12.992 8.768 246 H ALA 33 H ALA 33 -2.481 -9.000 6.611 247 HA ALA 33 HA ALA 33 -1.729 -11.579 7.035 248 1HB ALA 33 1HB ALA 33 -0.391 -9.916 5.752 249 2HB ALA 33 2HB ALA 33 0.224 -9.193 7.263 250 3HB ALA 33 3HB ALA 33 0.660 -10.859 6.821 251 H THR 34 H THR 34 -1.658 -9.287 9.672 252 HA THR 34 HA THR 34 0.534 -10.166 11.211 253 HB THR 34 HB THR 34 -0.641 -9.176 13.268 254 HG1 THR 34 HG1 THR 34 -2.771 -9.426 11.686 255 1HG2 THR 34 2HG2 THR 34 0.765 -7.815 11.584 256 2HG2 THR 34 3HG2 THR 34 -0.740 -7.417 10.715 257 3HG2 THR 34 1HG2 THR 34 -0.508 -6.850 12.377 258 H GLY 35 H GLY 35 -2.672 -11.607 11.147 259 1HA GLY 35 1HA GLY 35 -1.962 -13.917 13.021 260 2HA GLY 35 2HA GLY 35 -3.077 -12.695 13.643 261 1HN NH2 36 1HN NH2 36 -5.267 -12.505 12.769 262 2HN NH2 36 2HN NH2 36 -5.986 -13.834 11.820 263 1H ACE 37 1HH3 ACE 37 -13.748 -1.113 13.547 264 2H ACE 37 2HH3 ACE 37 -14.094 -0.556 11.874 265 3H ACE 37 3HH3 ACE 37 -15.377 -1.319 12.848 266 H VAL 38 H VAL 38 -12.119 -2.014 11.580 267 HA VAL 38 HA VAL 38 -11.284 -3.883 10.310 268 HB VAL 38 HB VAL 38 -10.949 -4.800 12.576 269 1HG1 VAL 38 1HG1 VAL 38 -13.770 -6.069 12.281 270 2HG1 VAL 38 2HG1 VAL 38 -12.590 -6.536 13.527 271 3HG1 VAL 38 3HG1 VAL 38 -13.258 -4.901 13.513 272 1HG2 VAL 38 1HG2 VAL 38 -10.299 -6.274 10.621 273 2HG2 VAL 38 2HG2 VAL 38 -10.855 -7.258 11.992 274 3HG2 VAL 38 3HG2 VAL 38 -11.932 -6.978 10.602 275 H THR 39 H THR 39 -12.485 -3.524 8.447 276 HA THR 39 HA THR 39 -14.717 -5.344 7.766 277 HB THR 39 HB THR 39 -16.277 -3.303 7.051 278 HG1 THR 39 HG1 THR 39 -14.794 -1.750 7.990 279 1HG2 THR 39 2HG2 THR 39 -16.092 -4.339 9.968 280 2HG2 THR 39 3HG2 THR 39 -17.523 -3.571 9.237 281 3HG2 THR 39 1HG2 THR 39 -16.949 -5.139 8.628 282 H GLU 40 H GLU 40 -15.538 -4.775 5.479 283 HA GLU 40 HA GLU 40 -13.164 -4.499 3.667 284 1HB GLU 40 1HB GLU 40 -15.059 -6.198 3.422 285 2HB GLU 40 2HB GLU 40 -16.071 -4.917 2.827 286 1HG GLU 40 1HG GLU 40 -14.885 -6.471 1.065 287 2HG GLU 40 2HG GLU 40 -14.876 -4.749 0.732 288 H GLU 41 H GLU 41 -16.133 -2.545 4.149 289 HA GLU 41 HA GLU 41 -15.449 -0.361 2.447 290 1HB GLU 41 1HB GLU 41 -17.189 0.840 3.363 291 2HB GLU 41 2HB GLU 41 -17.660 -0.816 3.591 292 1HG GLU 41 1HG GLU 41 -16.577 -0.366 6.105 293 2HG GLU 41 2HG GLU 41 -16.994 1.288 5.699 294 H ASP 42 H ASP 42 -14.063 -1.029 5.560 295 HA ASP 42 HA ASP 42 -12.639 1.575 5.985 296 1HB ASP 42 1HB ASP 42 -12.261 -1.255 7.144 297 2HB ASP 42 2HB ASP 42 -11.224 0.093 7.588 298 H ILE 43 H ILE 43 -11.945 -1.419 4.250 299 HA ILE 43 HA ILE 43 -9.154 -0.688 3.388 300 HB ILE 43 HB ILE 43 -11.082 -2.906 2.651 301 1HG1 ILE 43 1HG1 ILE 43 -9.091 -4.403 3.082 302 2HG1 ILE 43 2HG1 ILE 43 -8.082 -3.014 3.379 303 1HG2 ILE 43 1HG2 ILE 43 -10.272 -2.140 0.386 304 2HG2 ILE 43 2HG2 ILE 43 -8.585 -2.220 0.932 305 3HG2 ILE 43 3HG2 ILE 43 -9.562 -3.701 0.772 306 1HD1 ILE 43 1HD1 ILE 43 -9.461 -2.342 5.392 307 2HD1 ILE 43 2HD1 ILE 43 -10.418 -3.836 5.209 308 3HD1 ILE 43 3HD1 ILE 43 -8.676 -3.930 5.546 309 H GLU 44 H GLU 44 -12.434 -0.239 2.127 310 HA GLU 44 HA GLU 44 -11.571 0.729 -0.578 311 1HB GLU 44 1HB GLU 44 -14.123 0.031 0.719 312 2HB GLU 44 2HB GLU 44 -14.273 1.475 -0.235 313 1HG GLU 44 1HG GLU 44 -12.856 -0.583 -1.837 314 2HG GLU 44 2HG GLU 44 -14.324 -1.271 -1.166 315 H ASP 45 H ASP 45 -12.594 2.248 2.436 316 HA ASP 45 HA ASP 45 -12.615 5.053 1.340 317 1HB ASP 45 1HB ASP 45 -13.113 3.810 4.100 318 2HB ASP 45 2HB ASP 45 -12.924 5.550 3.935 319 H LEU 46 H LEU 46 -10.411 3.090 3.302 320 HA LEU 46 HA LEU 46 -8.082 4.954 3.386 321 1HB LEU 46 1HB LEU 46 -8.293 2.816 4.671 322 2HB LEU 46 2HB LEU 46 -8.179 1.883 3.198 323 HG LEU 46 HG LEU 46 -5.828 2.441 2.857 324 1HD1 LEU 46 1HD1 LEU 46 -6.333 4.638 4.920 325 2HD1 LEU 46 2HD1 LEU 46 -4.675 4.039 4.620 326 3HD1 LEU 46 3HD1 LEU 46 -5.638 4.756 3.297 327 1HD2 LEU 46 1HD2 LEU 46 -6.637 1.553 5.635 328 2HD2 LEU 46 2HD2 LEU 46 -5.602 0.718 4.441 329 3HD2 LEU 46 3HD2 LEU 46 -4.955 2.050 5.443 330 H MET 47 H MET 47 -8.962 2.539 0.915 331 HA MET 47 HA MET 47 -6.771 3.283 -0.893 332 1HB MET 47 1HB MET 47 -7.876 1.007 -0.769 333 2HB MET 47 2HB MET 47 -9.302 1.671 -1.548 334 1HG MET 47 1HG MET 47 -8.380 1.611 -3.667 335 2HG MET 47 2HG MET 47 -6.814 2.234 -3.119 336 1HE MET 47 1HE MET 47 -6.524 0.398 -5.260 337 2HE MET 47 2HE MET 47 -5.117 0.788 -4.228 338 3HE MET 47 3HE MET 47 -5.436 -0.911 -4.683 339 H LYS 48 H LYS 48 -9.727 4.975 -0.409 340 HA LYS 48 HA LYS 48 -9.056 6.638 -2.872 341 1HB LYS 48 1HB LYS 48 -11.324 7.390 -1.052 342 2HB LYS 48 2HB LYS 48 -11.262 7.472 -2.785 343 1HG LYS 48 1HG LYS 48 -11.204 4.621 -2.133 344 2HG LYS 48 2HG LYS 48 -12.281 5.326 -0.968 345 1HD LYS 48 1HD LYS 48 -13.800 6.234 -2.615 346 2HD LYS 48 2HD LYS 48 -12.740 5.964 -3.959 347 1HE LYS 48 1HE LYS 48 -13.868 3.948 -4.307 348 2HE LYS 48 2HE LYS 48 -13.111 3.330 -2.849 349 1HZ LYS 48 1HZ LYS 48 -15.122 4.717 -1.651 350 2HZ LYS 48 2HZ LYS 48 -15.894 4.351 -3.070 351 3HZ LYS 48 3HZ LYS 48 -15.274 3.203 -2.090 352 H ASP 49 H ASP 49 -8.910 6.687 0.623 353 HA ASP 49 HA ASP 49 -8.130 9.593 0.911 354 1HB ASP 49 1HB ASP 49 -9.311 8.189 2.734 355 2HB ASP 49 2HB ASP 49 -7.787 7.356 3.005 356 H SER 50 H SER 50 -6.491 6.540 0.425 357 HA SER 50 HA SER 50 -3.713 7.805 0.539 358 1HB SER 50 1HB SER 50 -3.870 5.582 1.590 359 2HB SER 50 2HB SER 50 -4.640 4.879 0.171 360 HG SER 50 HG SER 50 -2.013 5.293 0.720 361 H ASP 51 H ASP 51 -5.830 6.062 -1.784 362 HA ASP 51 HA ASP 51 -4.225 6.633 -4.147 363 1HB ASP 51 1HB ASP 51 -6.091 4.818 -3.678 364 2HB ASP 51 2HB ASP 51 -7.236 6.028 -4.240 365 H LYS 52 H LYS 52 -3.968 8.355 -5.388 366 HA LYS 52 HA LYS 52 -5.652 10.861 -4.875 367 1HB LYS 52 1HB LYS 52 -3.708 11.885 -4.607 368 2HB LYS 52 2HB LYS 52 -2.792 10.446 -4.936 369 1HG LYS 52 1HG LYS 52 -3.795 11.898 -7.428 370 2HG LYS 52 2HG LYS 52 -2.789 12.875 -6.406 371 1HD LYS 52 1HD LYS 52 -1.258 10.543 -6.464 372 2HD LYS 52 2HD LYS 52 -1.929 10.476 -8.059 373 1HE LYS 52 1HE LYS 52 -0.885 13.242 -7.387 374 2HE LYS 52 2HE LYS 52 0.340 11.996 -7.152 375 1HZ LYS 52 1HZ LYS 52 -0.284 11.130 -9.499 376 2HZ LYS 52 2HZ LYS 52 -1.207 12.390 -9.763 377 3HZ LYS 52 3HZ LYS 52 0.422 12.601 -9.545 378 H ASN 53 H ASN 53 -3.776 9.583 -7.660 379 HA ASN 53 HA ASN 53 -5.412 10.626 -9.744 380 1HB ASN 53 1HB ASN 53 -4.327 8.703 -11.181 381 2HB ASN 53 2HB ASN 53 -3.269 9.848 -10.404 382 1HD2 ASN 53 1HD2 ASN 53 -3.043 5.947 -9.325 383 2HD2 ASN 53 2HD2 ASN 53 -4.403 6.539 -10.380 384 H ASN 54 H ASN 54 -6.003 7.674 -7.955 385 HA ASN 54 HA ASN 54 -7.937 6.226 -7.833 386 1HB ASN 54 1HB ASN 54 -9.027 9.034 -8.519 387 2HB ASN 54 2HB ASN 54 -10.110 7.708 -8.198 388 1HD2 ASN 54 1HD2 ASN 54 -9.388 9.587 -5.020 389 2HD2 ASN 54 2HD2 ASN 54 -9.893 10.103 -6.691 390 H ASP 55 H ASP 55 -6.648 5.833 -10.275 391 HA ASP 55 HA ASP 55 -8.884 5.064 -12.195 392 1HB ASP 55 1HB ASP 55 -7.233 4.515 -13.744 393 2HB ASP 55 2HB ASP 55 -6.371 5.741 -12.826 394 H GLY 56 H GLY 56 -6.909 3.669 -9.636 395 1HA GLY 56 1HA GLY 56 -8.876 2.224 -8.374 396 2HA GLY 56 2HA GLY 56 -8.446 1.045 -9.623 397 H ARG 57 H ARG 57 -5.553 2.513 -8.871 398 HA ARG 57 HA ARG 57 -4.680 0.300 -7.007 399 1HB ARG 57 1HB ARG 57 -3.182 -0.571 -9.082 400 2HB ARG 57 2HB ARG 57 -4.773 -1.229 -8.701 401 1HG ARG 57 1HG ARG 57 -5.850 0.072 -10.484 402 2HG ARG 57 2HG ARG 57 -4.457 1.136 -10.668 403 1HD ARG 57 1HD ARG 57 -3.138 -0.588 -11.791 404 2HD ARG 57 2HD ARG 57 -4.159 -1.883 -11.168 405 HE ARG 57 HE ARG 57 -6.169 -0.844 -12.526 406 1HH1 ARG 57 2HH1 ARG 57 -2.917 -0.691 -13.711 407 2HH1 ARG 57 1HH1 ARG 57 -3.506 -0.389 -15.429 408 1HH2 ARG 57 1HH2 ARG 57 -6.763 -0.724 -14.420 409 2HH2 ARG 57 2HH2 ARG 57 -5.599 -0.554 -15.824 410 H ILE 58 H ILE 58 -2.333 0.117 -6.794 411 HA ILE 58 HA ILE 58 -1.303 2.958 -6.441 412 HB ILE 58 HB ILE 58 -0.937 0.438 -4.747 413 1HG1 ILE 58 1HG1 ILE 58 -2.320 3.137 -4.128 414 2HG1 ILE 58 2HG1 ILE 58 -3.130 1.627 -4.436 415 1HG2 ILE 58 1HG2 ILE 58 1.238 1.734 -4.672 416 2HG2 ILE 58 2HG2 ILE 58 0.363 3.209 -4.215 417 3HG2 ILE 58 3HG2 ILE 58 0.419 1.811 -3.115 418 1HD1 ILE 58 1HD1 ILE 58 -2.115 0.569 -2.367 419 2HD1 ILE 58 2HD1 ILE 58 -1.385 2.142 -1.954 420 3HD1 ILE 58 3HD1 ILE 58 -3.153 1.977 -2.029 421 H ASP 59 H ASP 59 0.771 3.583 -6.916 422 HA ASP 59 HA ASP 59 2.816 1.463 -7.765 423 1HB ASP 59 1HB ASP 59 3.837 3.231 -9.213 424 2HB ASP 59 2HB ASP 59 2.161 2.913 -9.637 425 H PHE 60 H PHE 60 5.094 3.015 -7.714 426 HA PHE 60 HA PHE 60 5.936 2.283 -5.019 427 1HB PHE 60 1HB PHE 60 7.323 2.216 -7.184 428 2HB PHE 60 2HB PHE 60 7.542 3.930 -7.066 429 HD1 PHE 60 HD1 PHE 60 8.606 0.696 -5.579 430 HD2 PHE 60 HD2 PHE 60 9.058 4.965 -5.430 431 HE1 PHE 60 HE1 PHE 60 10.557 0.447 -4.087 432 HE2 PHE 60 HE2 PHE 60 10.997 4.710 -3.950 433 HZ PHE 60 HZ PHE 60 11.762 2.455 -3.277 434 H ASP 61 H ASP 61 5.504 5.523 -6.427 435 HA ASP 61 HA ASP 61 6.139 7.273 -4.189 436 1HB ASP 61 1HB ASP 61 3.672 7.739 -6.053 437 2HB ASP 61 2HB ASP 61 4.940 8.812 -5.510 438 H GLU 62 H GLU 62 2.848 6.374 -5.060 439 HA GLU 62 HA GLU 62 1.400 6.886 -2.619 440 1HB GLU 62 1HB GLU 62 0.750 4.460 -4.322 441 2HB GLU 62 2HB GLU 62 -0.334 5.442 -3.385 442 1HG GLU 62 1HG GLU 62 1.091 6.911 -5.641 443 2HG GLU 62 2HG GLU 62 -0.024 5.656 -6.147 444 H PHE 63 H PHE 63 3.632 4.185 -3.150 445 HA PHE 63 HA PHE 63 2.834 2.510 -0.792 446 1HB PHE 63 1HB PHE 63 4.232 1.765 -2.833 447 2HB PHE 63 2HB PHE 63 5.560 2.684 -2.208 448 HD1 PHE 63 HD1 PHE 63 3.260 0.405 -0.175 449 HD2 PHE 63 HD2 PHE 63 7.177 0.988 -1.859 450 HE1 PHE 63 HE1 PHE 63 4.184 -1.318 1.332 451 HE2 PHE 63 HE2 PHE 63 8.058 -0.770 -0.404 452 HZ PHE 63 HZ PHE 63 6.598 -1.851 1.270 453 H LEU 64 H LEU 64 5.536 4.802 -1.308 454 HA LEU 64 HA LEU 64 6.411 5.020 1.435 455 1HB LEU 64 1HB LEU 64 6.612 7.024 -0.871 456 2HB LEU 64 2HB LEU 64 7.361 7.332 0.677 457 HG LEU 64 HG LEU 64 8.014 4.801 -0.941 458 1HD1 LEU 64 1HD1 LEU 64 9.348 7.588 -1.140 459 2HD1 LEU 64 2HD1 LEU 64 10.038 6.079 -1.796 460 3HD1 LEU 64 3HD1 LEU 64 8.499 6.679 -2.420 461 1HD2 LEU 64 1HD2 LEU 64 9.555 6.304 1.301 462 2HD2 LEU 64 2HD2 LEU 64 8.813 4.681 1.412 463 3HD2 LEU 64 3HD2 LEU 64 10.207 4.942 0.355 464 H LYS 65 H LYS 65 3.890 7.055 -0.136 465 HA LYS 65 HA LYS 65 2.992 8.441 2.273 466 1HB LYS 65 1HB LYS 65 2.145 7.790 -0.495 467 2HB LYS 65 2HB LYS 65 0.750 7.962 0.552 468 1HG LYS 65 1HG LYS 65 2.786 10.201 0.764 469 2HG LYS 65 2HG LYS 65 2.098 9.985 -0.856 470 1HD LYS 65 1HD LYS 65 0.791 11.562 0.698 471 2HD LYS 65 2HD LYS 65 -0.173 10.343 -0.141 472 1HE LYS 65 1HE LYS 65 -1.034 10.412 2.129 473 2HE LYS 65 2HE LYS 65 -0.016 8.961 2.096 474 1HZ LYS 65 1HZ LYS 65 1.915 10.587 2.890 475 2HZ LYS 65 2HZ LYS 65 0.719 11.625 3.349 476 3HZ LYS 65 3HZ LYS 65 0.835 10.131 3.990 477 H MET 66 H MET 66 1.629 5.435 0.873 478 HA MET 66 HA MET 66 -0.251 4.824 2.899 479 1HB MET 66 1HB MET 66 -0.099 3.755 0.623 480 2HB MET 66 2HB MET 66 1.290 2.823 1.141 481 1HG MET 66 1HG MET 66 -1.024 2.381 2.975 482 2HG MET 66 2HG MET 66 -1.375 1.925 1.297 483 1HE MET 66 1HE MET 66 1.622 1.359 0.241 484 2HE MET 66 2HE MET 66 1.670 -0.420 0.417 485 3HE MET 66 3HE MET 66 0.187 0.378 -0.190 486 H MET 67 H MET 67 3.100 3.396 2.877 487 HA MET 67 HA MET 67 3.173 2.479 5.614 488 1HB MET 67 1HB MET 67 5.098 2.929 3.551 489 2HB MET 67 2HB MET 67 5.633 3.969 4.857 490 1HG MET 67 1HG MET 67 6.181 2.216 6.306 491 2HG MET 67 2HG MET 67 4.936 1.123 5.673 492 1HE MET 67 1HE MET 67 6.923 -0.449 6.136 493 2HE MET 67 2HE MET 67 6.155 -1.154 4.682 494 3HE MET 67 3HE MET 67 7.941 -1.020 4.778 495 H GLU 68 H GLU 68 4.601 5.627 4.698 496 HA GLU 68 HA GLU 68 5.234 6.438 7.265 497 1HB GLU 68 1HB GLU 68 6.234 7.611 5.537 498 2HB GLU 68 2HB GLU 68 4.742 8.057 4.766 499 1HG GLU 68 1HG GLU 68 4.317 9.718 6.750 500 2HG GLU 68 2HG GLU 68 5.935 9.351 7.319 501 H GLY 69 H GLY 69 2.050 7.053 5.871 502 1HA GLY 69 1HA GLY 69 -0.065 6.855 7.035 503 2HA GLY 69 2HA GLY 69 0.885 6.389 8.451 504 H VAL 70 H VAL 70 -1.513 7.822 8.513 505 HA VAL 70 HA VAL 70 -1.231 10.713 8.743 506 HB VAL 70 HB VAL 70 -3.376 8.745 9.554 507 1HG1 VAL 70 1HG1 VAL 70 -3.408 11.707 10.482 508 2HG1 VAL 70 2HG1 VAL 70 -4.814 10.612 10.511 509 3HG1 VAL 70 3HG1 VAL 70 -3.418 10.273 11.537 510 1HG2 VAL 70 1HG2 VAL 70 -3.354 9.702 7.214 511 2HG2 VAL 70 2HG2 VAL 70 -4.812 10.173 8.074 512 3HG2 VAL 70 3HG2 VAL 70 -3.484 11.352 7.859 513 H GLN 71 H GLN 71 -1.584 11.964 10.866 514 HA GLN 71 HA GLN 71 1.011 11.567 12.280 515 1HB GLN 71 1HB GLN 71 0.359 13.705 13.465 516 2HB GLN 71 2HB GLN 71 0.435 13.802 11.708 517 1HG GLN 71 1HG GLN 71 -2.288 13.121 12.198 518 2HG GLN 71 2HG GLN 71 -1.928 14.169 13.558 519 1HE2 GLN 71 1HE2 GLN 71 -3.193 16.267 10.764 520 2HE2 GLN 71 2HE2 GLN 71 -3.796 14.803 11.721 521 1HN NH2 72 1HN NH2 72 -2.463 10.953 13.111 522 2HN NH2 72 2HN NH2 72 -2.149 10.247 14.719 No H/Q in entry = 522 Start of MODEL 29 1 1H ACE 1 1HH3 ACE 1 20.266 11.311 0.585 2 2H ACE 1 2HH3 ACE 1 21.549 11.806 -0.576 3 3H ACE 1 3HH3 ACE 1 20.216 12.922 -0.163 4 H LYS 2 H LYS 2 20.490 9.544 -1.301 5 HA LYS 2 HA LYS 2 17.801 9.754 -2.579 6 1HB LYS 2 1HB LYS 2 20.288 9.490 -4.261 7 2HB LYS 2 2HB LYS 2 18.963 8.451 -4.736 8 1HG LYS 2 1HG LYS 2 17.533 10.428 -5.260 9 2HG LYS 2 2HG LYS 2 18.537 11.494 -4.310 10 1HD LYS 2 1HD LYS 2 19.560 10.110 -6.882 11 2HD LYS 2 2HD LYS 2 18.746 11.675 -6.909 12 1HE LYS 2 1HE LYS 2 20.446 12.667 -5.363 13 2HE LYS 2 2HE LYS 2 21.311 11.125 -5.226 14 1HZ LYS 2 1HZ LYS 2 20.947 12.607 -7.889 15 2HZ LYS 2 2HZ LYS 2 22.285 12.613 -6.981 16 3HZ LYS 2 3HZ LYS 2 21.886 11.256 -7.652 17 H SER 3 H SER 3 17.015 8.241 -1.233 18 HA SER 3 HA SER 3 18.204 5.440 -1.037 19 1HB SER 3 1HB SER 3 19.630 6.696 0.432 20 2HB SER 3 2HB SER 3 18.309 7.550 1.194 21 HG SER 3 HG SER 3 19.082 4.822 1.429 22 H GLU 4 H GLU 4 15.924 5.511 -2.117 23 HA GLU 4 HA GLU 4 13.840 4.728 -0.026 24 1HB GLU 4 1HB GLU 4 13.427 4.937 -3.026 25 2HB GLU 4 2HB GLU 4 12.311 4.234 -1.881 26 1HG GLU 4 1HG GLU 4 12.205 6.876 -2.769 27 2HG GLU 4 2HG GLU 4 11.437 6.319 -1.287 28 H GLU 5 H GLU 5 16.162 3.382 0.098 29 HA GLU 5 HA GLU 5 16.255 0.935 -1.452 30 1HB GLU 5 1HB GLU 5 18.068 2.268 -0.027 31 2HB GLU 5 2HB GLU 5 17.676 1.113 1.212 32 1HG GLU 5 1HG GLU 5 19.628 0.230 0.067 33 2HG GLU 5 2HG GLU 5 18.304 -0.792 -0.462 34 H GLU 6 H GLU 6 15.685 0.905 2.103 35 HA GLU 6 HA GLU 6 14.384 -1.623 2.234 36 1HB GLU 6 1HB GLU 6 13.386 -0.818 4.425 37 2HB GLU 6 2HB GLU 6 15.116 -0.825 4.266 38 1HG GLU 6 1HG GLU 6 15.219 1.645 4.141 39 2HG GLU 6 2HG GLU 6 13.489 1.787 3.893 40 H LEU 7 H LEU 7 12.875 1.355 1.163 41 HA LEU 7 HA LEU 7 10.153 0.150 0.836 42 1HB LEU 7 1HB LEU 7 11.422 2.650 -0.411 43 2HB LEU 7 2HB LEU 7 9.748 2.199 -0.628 44 HG LEU 7 HG LEU 7 10.666 3.943 1.304 45 1HD1 LEU 7 1HD1 LEU 7 8.322 3.725 0.500 46 2HD1 LEU 7 2HD1 LEU 7 8.097 2.222 1.431 47 3HD1 LEU 7 3HD1 LEU 7 8.363 3.773 2.269 48 1HD2 LEU 7 1HD2 LEU 7 10.225 1.232 2.762 49 2HD2 LEU 7 2HD2 LEU 7 11.721 2.206 2.748 50 3HD2 LEU 7 3HD2 LEU 7 10.281 2.828 3.556 51 H ALA 8 H ALA 8 12.946 0.545 -1.378 52 HA ALA 8 HA ALA 8 11.939 -0.845 -3.658 53 1HB ALA 8 1HB ALA 8 14.794 -0.841 -2.464 54 2HB ALA 8 2HB ALA 8 14.381 -1.317 -4.123 55 3HB ALA 8 3HB ALA 8 14.105 0.347 -3.596 56 H ASN 9 H ASN 9 14.244 -2.700 -1.614 57 HA ASN 9 HA ASN 9 13.465 -5.324 -1.660 58 1HB ASN 9 1HB ASN 9 13.759 -3.696 0.961 59 2HB ASN 9 2HB ASN 9 13.776 -5.436 0.891 60 1HD2 ASN 9 1HD2 ASN 9 17.304 -4.321 0.854 61 2HD2 ASN 9 2HD2 ASN 9 15.882 -4.210 1.985 62 H ALA 10 H ALA 10 11.461 -2.990 0.181 63 HA ALA 10 HA ALA 10 9.479 -5.034 1.069 64 1HB ALA 10 1HB ALA 10 10.164 -3.050 2.431 65 2HB ALA 10 2HB ALA 10 9.421 -1.942 1.247 66 3HB ALA 10 3HB ALA 10 8.408 -3.068 2.177 67 H PHE 11 H PHE 11 9.375 -2.499 -1.457 68 HA PHE 11 HA PHE 11 6.651 -3.047 -2.393 69 1HB PHE 11 1HB PHE 11 7.930 -0.932 -2.787 70 2HB PHE 11 2HB PHE 11 9.031 -1.761 -3.835 71 HD1 PHE 11 HD1 PHE 11 8.306 -2.524 -6.173 72 HD2 PHE 11 HD2 PHE 11 5.682 -0.254 -3.628 73 HE1 PHE 11 HE1 PHE 11 6.947 -1.880 -8.126 74 HE2 PHE 11 HE2 PHE 11 4.319 0.347 -5.586 75 HZ PHE 11 HZ PHE 11 4.948 -0.447 -7.832 76 H ARG 12 H ARG 12 9.768 -4.365 -3.600 77 HA ARG 12 HA ARG 12 8.529 -6.327 -5.377 78 1HB ARG 12 1HB ARG 12 10.663 -7.193 -5.746 79 2HB ARG 12 2HB ARG 12 11.007 -5.529 -5.289 80 1HG ARG 12 1HG ARG 12 12.125 -6.144 -3.344 81 2HG ARG 12 2HG ARG 12 10.969 -7.417 -2.934 82 1HD ARG 12 1HD ARG 12 12.973 -8.635 -3.401 83 2HD ARG 12 2HD ARG 12 12.030 -8.810 -4.907 84 HE ARG 12 HE ARG 12 14.058 -6.519 -4.658 85 1HH1 ARG 12 2HH1 ARG 12 13.042 -9.389 -6.313 86 2HH1 ARG 12 1HH1 ARG 12 14.235 -9.126 -7.673 87 1HH2 ARG 12 1HH2 ARG 12 15.370 -6.231 -6.196 88 2HH2 ARG 12 2HH2 ARG 12 15.496 -7.400 -7.590 89 H ILE 13 H ILE 13 9.037 -6.401 -1.913 90 HA ILE 13 HA ILE 13 8.470 -9.302 -1.498 91 HB ILE 13 HB ILE 13 8.659 -6.908 0.382 92 1HG1 ILE 13 1HG1 ILE 13 10.816 -8.078 -0.423 93 2HG1 ILE 13 2HG1 ILE 13 10.628 -7.909 1.301 94 1HG2 ILE 13 1HG2 ILE 13 6.818 -8.339 1.354 95 2HG2 ILE 13 2HG2 ILE 13 7.855 -9.782 1.259 96 3HG2 ILE 13 3HG2 ILE 13 8.247 -8.450 2.364 97 1HD1 ILE 13 1HD1 ILE 13 9.888 -10.301 1.557 98 2HD1 ILE 13 2HD1 ILE 13 10.128 -10.555 -0.190 99 3HD1 ILE 13 3HD1 ILE 13 11.511 -10.148 0.845 100 H PHE 14 H PHE 14 6.544 -6.376 -1.680 101 HA PHE 14 HA PHE 14 3.931 -7.547 -0.748 102 1HB PHE 14 1HB PHE 14 4.716 -4.947 -2.203 103 2HB PHE 14 2HB PHE 14 3.051 -5.395 -2.028 104 HD1 PHE 14 HD1 PHE 14 5.220 -6.344 0.790 105 HD2 PHE 14 HD2 PHE 14 2.706 -3.234 -0.776 106 HE1 PHE 14 HE1 PHE 14 5.042 -5.351 3.037 107 HE2 PHE 14 HE2 PHE 14 2.549 -2.233 1.469 108 HZ PHE 14 HZ PHE 14 3.718 -3.281 3.378 109 H ASP 15 H ASP 15 5.624 -7.178 -3.815 110 HA ASP 15 HA ASP 15 3.244 -7.384 -5.513 111 1HB ASP 15 1HB ASP 15 5.276 -6.010 -6.018 112 2HB ASP 15 2HB ASP 15 6.243 -7.460 -6.239 113 H LYS 16 H LYS 16 2.143 -9.168 -6.214 114 HA LYS 16 HA LYS 16 3.207 -11.785 -5.105 115 1HB LYS 16 1HB LYS 16 1.157 -11.882 -4.168 116 2HB LYS 16 2HB LYS 16 0.546 -10.556 -5.117 117 1HG LYS 16 1HG LYS 16 -0.622 -11.999 -6.547 118 2HG LYS 16 2HG LYS 16 0.723 -13.126 -6.666 119 1HD LYS 16 1HD LYS 16 -1.678 -13.247 -4.922 120 2HD LYS 16 2HD LYS 16 -0.603 -14.525 -5.483 121 1HE LYS 16 1HE LYS 16 0.081 -14.807 -3.356 122 2HE LYS 16 2HE LYS 16 1.066 -13.346 -3.570 123 1HZ LYS 16 1HZ LYS 16 -1.487 -12.289 -3.043 124 2HZ LYS 16 2HZ LYS 16 -1.456 -13.620 -2.065 125 3HZ LYS 16 3HZ LYS 16 -0.299 -12.485 -1.924 126 H ASN 17 H ASN 17 1.398 -10.618 -7.985 127 HA ASN 17 HA ASN 17 2.380 -12.949 -9.598 128 1HB ASN 17 1HB ASN 17 0.252 -10.806 -10.089 129 2HB ASN 17 2HB ASN 17 0.722 -11.908 -11.355 130 1HD2 ASN 17 1HD2 ASN 17 -0.833 -14.535 -9.029 131 2HD2 ASN 17 2HD2 ASN 17 0.850 -14.301 -9.606 132 H ALA 18 H ALA 18 2.722 -9.399 -9.789 133 HA ALA 18 HA ALA 18 4.872 -8.332 -10.075 134 1HB ALA 18 1HB ALA 18 5.800 -10.582 -9.406 135 2HB ALA 18 2HB ALA 18 5.731 -11.108 -11.102 136 3HB ALA 18 3HB ALA 18 6.821 -9.791 -10.638 137 H ASP 19 H ASP 19 2.828 -8.184 -12.175 138 HA ASP 19 HA ASP 19 4.285 -7.476 -14.680 139 1HB ASP 19 1HB ASP 19 1.669 -6.475 -13.400 140 2HB ASP 19 2HB ASP 19 2.276 -5.820 -14.914 141 H GLY 20 H GLY 20 4.187 -6.102 -11.489 142 1HA GLY 20 1HA GLY 20 6.600 -4.765 -11.180 143 2HA GLY 20 2HA GLY 20 5.810 -3.686 -12.341 144 H TYR 21 H TYR 21 3.176 -3.800 -11.322 145 HA TYR 21 HA TYR 21 3.520 -1.942 -8.885 146 1HB TYR 21 1HB TYR 21 2.016 -0.334 -9.951 147 2HB TYR 21 2HB TYR 21 3.371 -0.657 -10.991 148 HD1 TYR 21 HD1 TYR 21 -0.260 -1.690 -10.557 149 HD2 TYR 21 HD2 TYR 21 3.026 -1.074 -13.264 150 HE1 TYR 21 HE1 TYR 21 -1.739 -2.138 -12.488 151 HE2 TYR 21 HE2 TYR 21 1.522 -1.495 -15.170 152 HH TYR 21 HH TYR 21 -1.874 -1.662 -14.823 153 H ILE 22 H ILE 22 1.268 -1.231 -8.031 154 HA ILE 22 HA ILE 22 0.132 -3.902 -7.034 155 HB ILE 22 HB ILE 22 0.221 -1.281 -5.452 156 1HG1 ILE 22 1HG1 ILE 22 2.281 -3.572 -5.472 157 2HG1 ILE 22 2HG1 ILE 22 2.569 -1.870 -5.710 158 1HG2 ILE 22 1HG2 ILE 22 -1.524 -2.929 -4.636 159 2HG2 ILE 22 2HG2 ILE 22 -0.288 -4.192 -4.484 160 3HG2 ILE 22 3HG2 ILE 22 -0.252 -2.749 -3.440 161 1HD1 ILE 22 1HD1 ILE 22 1.929 -1.369 -3.296 162 2HD1 ILE 22 2HD1 ILE 22 1.833 -3.124 -3.004 163 3HD1 ILE 22 3HD1 ILE 22 3.376 -2.390 -3.490 164 H ASP 23 H ASP 23 -2.058 -4.135 -6.637 165 HA ASP 23 HA ASP 23 -3.950 -1.953 -7.660 166 1HB ASP 23 1HB ASP 23 -5.296 -3.772 -8.718 167 2HB ASP 23 2HB ASP 23 -3.646 -3.750 -9.325 168 H ILE 24 H ILE 24 -6.326 -2.567 -7.078 169 HA ILE 24 HA ILE 24 -6.503 -2.282 -4.084 170 HB ILE 24 HB ILE 24 -7.943 -1.102 -6.069 171 1HG1 ILE 24 1HG1 ILE 24 -9.416 -1.560 -3.413 172 2HG1 ILE 24 2HG1 ILE 24 -7.897 -0.705 -3.406 173 1HG2 ILE 24 1HG2 ILE 24 -9.223 -3.193 -6.726 174 2HG2 ILE 24 2HG2 ILE 24 -9.844 -3.348 -5.071 175 3HG2 ILE 24 3HG2 ILE 24 -10.321 -1.975 -6.101 176 1HD1 ILE 24 1HD1 ILE 24 -8.786 0.993 -5.083 177 2HD1 ILE 24 2HD1 ILE 24 -10.394 0.245 -4.923 178 3HD1 ILE 24 3HD1 ILE 24 -9.623 0.992 -3.508 179 H GLU 25 H GLU 25 -7.015 -4.804 -6.428 180 HA GLU 25 HA GLU 25 -8.456 -6.724 -4.634 181 1HB GLU 25 1HB GLU 25 -8.922 -7.198 -6.824 182 2HB GLU 25 2HB GLU 25 -7.329 -6.831 -7.414 183 1HG GLU 25 1HG GLU 25 -6.511 -9.081 -6.347 184 2HG GLU 25 2HG GLU 25 -8.189 -9.449 -5.991 185 H GLU 26 H GLU 26 -5.097 -5.985 -5.331 186 HA GLU 26 HA GLU 26 -3.977 -8.361 -3.880 187 1HB GLU 26 1HB GLU 26 -2.677 -5.969 -5.230 188 2HB GLU 26 2HB GLU 26 -1.738 -7.055 -4.251 189 1HG GLU 26 1HG GLU 26 -2.447 -9.002 -5.817 190 2HG GLU 26 2HG GLU 26 -3.276 -7.836 -6.832 191 H LEU 27 H LEU 27 -4.627 -5.007 -3.026 192 HA LEU 27 HA LEU 27 -2.782 -4.539 -0.802 193 1HB LEU 27 1HB LEU 27 -4.166 -2.794 -1.897 194 2HB LEU 27 2HB LEU 27 -5.634 -3.496 -1.269 195 HG LEU 27 HG LEU 27 -4.740 -1.385 -0.067 196 1HD1 LEU 27 1HD1 LEU 27 -6.551 -2.829 0.867 197 2HD1 LEU 27 2HD1 LEU 27 -5.349 -3.877 1.672 198 3HD1 LEU 27 3HD1 LEU 27 -5.537 -2.164 2.146 199 1HD2 LEU 27 1HD2 LEU 27 -2.774 -3.419 1.228 200 2HD2 LEU 27 2HD2 LEU 27 -2.323 -2.041 0.180 201 3HD2 LEU 27 3HD2 LEU 27 -3.062 -1.738 1.757 202 H GLY 28 H GLY 28 -6.211 -5.599 -0.453 203 1HA GLY 28 1HA GLY 28 -6.307 -5.812 2.459 204 2HA GLY 28 2HA GLY 28 -7.328 -6.740 1.354 205 H GLU 29 H GLU 29 -5.521 -8.386 0.086 206 HA GLU 29 HA GLU 29 -5.195 -10.544 2.132 207 1HB GLU 29 1HB GLU 29 -4.498 -11.986 0.307 208 2HB GLU 29 2HB GLU 29 -6.012 -11.199 -0.019 209 1HG GLU 29 1HG GLU 29 -4.640 -9.511 -1.541 210 2HG GLU 29 2HG GLU 29 -3.291 -10.618 -1.373 211 H ILE 30 H ILE 30 -3.040 -8.265 0.577 212 HA ILE 30 HA ILE 30 -0.405 -9.389 1.392 213 HB ILE 30 HB ILE 30 -1.334 -6.585 0.648 214 1HG1 ILE 30 1HG1 ILE 30 -0.873 -7.710 -1.384 215 2HG1 ILE 30 2HG1 ILE 30 0.618 -6.861 -1.078 216 1HG2 ILE 30 1HG2 ILE 30 0.358 -6.233 2.484 217 2HG2 ILE 30 2HG2 ILE 30 1.527 -7.276 1.633 218 3HG2 ILE 30 3HG2 ILE 30 1.014 -5.714 0.935 219 1HD1 ILE 30 1HD1 ILE 30 0.299 -9.879 -0.486 220 2HD1 ILE 30 2HD1 ILE 30 1.130 -9.130 -1.865 221 3HD1 ILE 30 3HD1 ILE 30 1.761 -8.894 -0.224 222 H LEU 31 H LEU 31 -2.327 -6.755 2.910 223 HA LEU 31 HA LEU 31 -1.174 -6.757 5.544 224 1HB LEU 31 1HB LEU 31 -4.175 -6.495 5.419 225 2HB LEU 31 2HB LEU 31 -3.013 -5.536 6.301 226 HG LEU 31 HG LEU 31 -3.574 -5.334 3.282 227 1HD1 LEU 31 1HD1 LEU 31 -4.254 -3.449 5.639 228 2HD1 LEU 31 2HD1 LEU 31 -4.477 -3.064 3.911 229 3HD1 LEU 31 3HD1 LEU 31 -5.390 -4.392 4.634 230 1HD2 LEU 31 1HD2 LEU 31 -1.604 -3.690 5.030 231 2HD2 LEU 31 2HD2 LEU 31 -1.187 -4.736 3.644 232 3HD2 LEU 31 3HD2 LEU 31 -2.107 -3.252 3.376 233 H ARG 32 H ARG 32 -3.787 -8.896 4.424 234 HA ARG 32 HA ARG 32 -3.887 -10.190 7.202 235 1HB ARG 32 1HB ARG 32 -5.914 -9.320 5.083 236 2HB ARG 32 2HB ARG 32 -6.400 -10.484 6.314 237 1HG ARG 32 1HG ARG 32 -6.503 -8.830 7.960 238 2HG ARG 32 2HG ARG 32 -4.980 -8.090 7.434 239 1HD ARG 32 1HD ARG 32 -7.213 -6.688 7.119 240 2HD ARG 32 2HD ARG 32 -6.031 -6.697 5.791 241 HE ARG 32 HE ARG 32 -7.481 -8.235 4.504 242 1HH1 ARG 32 2HH1 ARG 32 -8.891 -7.538 7.602 243 2HH1 ARG 32 1HH1 ARG 32 -10.505 -8.237 7.108 244 1HH2 ARG 32 1HH2 ARG 32 -9.320 -8.992 3.976 245 2HH2 ARG 32 2HH2 ARG 32 -10.719 -8.998 5.144 246 H ALA 33 H ALA 33 -2.318 -11.179 4.686 247 HA ALA 33 HA ALA 33 -3.177 -14.082 5.116 248 1HB ALA 33 1HB ALA 33 -3.162 -13.254 2.768 249 2HB ALA 33 2HB ALA 33 -1.444 -12.791 2.906 250 3HB ALA 33 3HB ALA 33 -1.922 -14.501 2.988 251 H THR 34 H THR 34 -1.042 -15.528 4.556 252 HA THR 34 HA THR 34 1.280 -14.732 6.316 253 HB THR 34 HB THR 34 0.173 -17.540 6.773 254 HG1 THR 34 HG1 THR 34 -1.166 -16.893 8.218 255 1HG2 THR 34 2HG2 THR 34 2.525 -16.838 7.568 256 2HG2 THR 34 3HG2 THR 34 1.760 -15.610 8.610 257 3HG2 THR 34 1HG2 THR 34 1.451 -17.331 8.902 258 H GLY 35 H GLY 35 2.777 -14.756 4.611 259 1HA GLY 35 1HA GLY 35 3.292 -15.042 2.205 260 2HA GLY 35 2HA GLY 35 3.709 -16.638 2.841 261 1HN NH2 36 1HN NH2 36 2.429 -18.491 2.352 262 2HN NH2 36 2HN NH2 36 1.102 -18.435 1.161 263 1H ACE 37 1HH3 ACE 37 -14.621 -7.020 13.565 264 2H ACE 37 2HH3 ACE 37 -12.963 -7.392 14.150 265 3H ACE 37 3HH3 ACE 37 -13.823 -5.950 14.749 266 H VAL 38 H VAL 38 -12.864 -7.383 11.621 267 HA VAL 38 HA VAL 38 -12.554 -4.597 10.423 268 HB VAL 38 HB VAL 38 -10.443 -6.759 9.907 269 1HG1 VAL 38 1HG1 VAL 38 -10.596 -3.786 9.018 270 2HG1 VAL 38 2HG1 VAL 38 -9.162 -4.817 8.812 271 3HG1 VAL 38 3HG1 VAL 38 -10.661 -5.210 7.964 272 1HG2 VAL 38 1HG2 VAL 38 -10.127 -5.837 12.245 273 2HG2 VAL 38 2HG2 VAL 38 -8.826 -5.281 11.169 274 3HG2 VAL 38 3HG2 VAL 38 -10.158 -4.181 11.602 275 H THR 39 H THR 39 -12.893 -4.602 8.130 276 HA THR 39 HA THR 39 -14.097 -7.069 6.864 277 HB THR 39 HB THR 39 -16.151 -5.943 6.055 278 HG1 THR 39 HG1 THR 39 -16.728 -4.006 6.652 279 1HG2 THR 39 2HG2 THR 39 -15.845 -5.842 9.138 280 2HG2 THR 39 3HG2 THR 39 -17.392 -5.891 8.259 281 3HG2 THR 39 1HG2 THR 39 -16.283 -7.275 8.180 282 H GLU 40 H GLU 40 -15.030 -5.810 4.527 283 HA GLU 40 HA GLU 40 -12.559 -4.967 3.115 284 1HB GLU 40 1HB GLU 40 -13.668 -5.252 1.129 285 2HB GLU 40 2HB GLU 40 -14.422 -6.422 2.168 286 1HG GLU 40 1HG GLU 40 -16.243 -4.300 2.436 287 2HG GLU 40 2HG GLU 40 -15.649 -4.001 0.813 288 H GLU 41 H GLU 41 -15.471 -3.174 4.077 289 HA GLU 41 HA GLU 41 -14.789 -0.684 2.804 290 1HB GLU 41 1HB GLU 41 -16.562 -0.794 5.266 291 2HB GLU 41 2HB GLU 41 -16.637 0.323 3.938 292 1HG GLU 41 1HG GLU 41 -17.099 -2.246 2.706 293 2HG GLU 41 2HG GLU 41 -17.962 -2.330 4.230 294 H ASP 42 H ASP 42 -13.797 -1.699 6.084 295 HA ASP 42 HA ASP 42 -12.175 0.550 6.777 296 1HB ASP 42 1HB ASP 42 -11.928 -2.458 7.225 297 2HB ASP 42 2HB ASP 42 -10.581 -1.436 7.708 298 H ILE 43 H ILE 43 -11.174 -2.092 4.589 299 HA ILE 43 HA ILE 43 -8.474 -0.949 3.930 300 HB ILE 43 HB ILE 43 -10.122 -3.236 2.799 301 1HG1 ILE 43 1HG1 ILE 43 -8.175 -4.650 3.312 302 2HG1 ILE 43 2HG1 ILE 43 -7.153 -3.272 3.617 303 1HG2 ILE 43 1HG2 ILE 43 -9.224 -2.107 0.725 304 2HG2 ILE 43 2HG2 ILE 43 -7.584 -2.106 1.404 305 3HG2 ILE 43 3HG2 ILE 43 -8.392 -3.635 0.976 306 1HD1 ILE 43 1HD1 ILE 43 -8.487 -2.637 5.672 307 2HD1 ILE 43 2HD1 ILE 43 -9.455 -4.122 5.477 308 3HD1 ILE 43 3HD1 ILE 43 -7.707 -4.231 5.776 309 H GLU 44 H GLU 44 -11.732 -0.746 2.560 310 HA GLU 44 HA GLU 44 -10.922 0.759 0.096 311 1HB GLU 44 1HB GLU 44 -12.837 0.016 -0.674 312 2HB GLU 44 2HB GLU 44 -13.191 -0.733 0.853 313 1HG GLU 44 1HG GLU 44 -15.110 0.552 0.860 314 2HG GLU 44 2HG GLU 44 -14.104 1.911 1.326 315 H ASP 45 H ASP 45 -11.991 1.628 3.308 316 HA ASP 45 HA ASP 45 -12.447 4.553 2.806 317 1HB ASP 45 1HB ASP 45 -12.282 2.753 5.271 318 2HB ASP 45 2HB ASP 45 -12.144 4.493 5.484 319 H LEU 46 H LEU 46 -9.752 2.638 4.138 320 HA LEU 46 HA LEU 46 -7.908 4.921 4.580 321 1HB LEU 46 1HB LEU 46 -7.797 2.725 5.752 322 2HB LEU 46 2HB LEU 46 -7.324 1.914 4.278 323 HG LEU 46 HG LEU 46 -5.112 2.934 4.252 324 1HD1 LEU 46 1HD1 LEU 46 -6.312 4.921 6.230 325 2HD1 LEU 46 2HD1 LEU 46 -4.544 4.653 6.204 326 3HD1 LEU 46 3HD1 LEU 46 -5.403 5.215 4.741 327 1HD2 LEU 46 1HD2 LEU 46 -5.836 1.213 6.275 328 2HD2 LEU 46 2HD2 LEU 46 -4.166 1.823 6.090 329 3HD2 LEU 46 3HD2 LEU 46 -5.294 2.577 7.256 330 H MET 47 H MET 47 -7.803 2.510 1.943 331 HA MET 47 HA MET 47 -5.735 3.858 0.408 332 1HB MET 47 1HB MET 47 -6.181 1.491 0.065 333 2HB MET 47 2HB MET 47 -7.840 1.792 -0.423 334 1HG MET 47 1HG MET 47 -7.190 1.864 -2.610 335 2HG MET 47 2HG MET 47 -6.264 3.338 -2.274 336 1HE MET 47 1HE MET 47 -5.856 0.854 -4.351 337 2HE MET 47 2HE MET 47 -4.839 2.321 -4.428 338 3HE MET 47 3HE MET 47 -4.064 0.711 -4.381 339 H LYS 48 H LYS 48 -9.284 4.092 0.117 340 HA LYS 48 HA LYS 48 -9.219 6.122 -2.080 341 1HB LYS 48 1HB LYS 48 -10.986 4.268 -1.392 342 2HB LYS 48 2HB LYS 48 -11.662 5.459 -0.324 343 1HG LYS 48 1HG LYS 48 -12.704 5.192 -2.748 344 2HG LYS 48 2HG LYS 48 -12.475 6.801 -2.139 345 1HD LYS 48 1HD LYS 48 -10.375 7.139 -3.395 346 2HD LYS 48 2HD LYS 48 -10.357 5.519 -4.008 347 1HE LYS 48 1HE LYS 48 -11.215 6.862 -5.846 348 2HE LYS 48 2HE LYS 48 -12.654 6.098 -5.195 349 1HZ LYS 48 1HZ LYS 48 -11.868 8.855 -4.207 350 2HZ LYS 48 2HZ LYS 48 -12.840 8.625 -5.497 351 3HZ LYS 48 3HZ LYS 48 -13.351 8.128 -4.083 352 H ASP 49 H ASP 49 -8.877 6.324 1.344 353 HA ASP 49 HA ASP 49 -9.260 9.314 1.521 354 1HB ASP 49 1HB ASP 49 -9.326 7.850 3.572 355 2HB ASP 49 2HB ASP 49 -7.634 7.427 3.346 356 H SER 50 H SER 50 -6.402 7.186 1.126 357 HA SER 50 HA SER 50 -4.527 9.482 0.541 358 1HB SER 50 1HB SER 50 -4.289 6.554 1.105 359 2HB SER 50 2HB SER 50 -3.212 7.069 -0.190 360 HG SER 50 HG SER 50 -3.304 8.822 1.949 361 H ASP 51 H ASP 51 -6.844 7.828 -1.273 362 HA ASP 51 HA ASP 51 -5.605 7.668 -3.883 363 1HB ASP 51 1HB ASP 51 -7.725 6.517 -3.204 364 2HB ASP 51 2HB ASP 51 -8.584 8.050 -3.164 365 H LYS 52 H LYS 52 -4.813 9.119 -5.172 366 HA LYS 52 HA LYS 52 -5.633 12.010 -5.414 367 1HB LYS 52 1HB LYS 52 -4.131 10.218 -7.394 368 2HB LYS 52 2HB LYS 52 -4.198 11.951 -7.482 369 1HG LYS 52 1HG LYS 52 -2.441 10.142 -5.806 370 2HG LYS 52 2HG LYS 52 -2.085 11.695 -6.492 371 1HD LYS 52 1HD LYS 52 -3.787 11.354 -3.956 372 2HD LYS 52 2HD LYS 52 -2.088 11.683 -3.897 373 1HE LYS 52 1HE LYS 52 -4.233 13.565 -5.181 374 2HE LYS 52 2HE LYS 52 -3.604 13.728 -3.543 375 1HZ LYS 52 1HZ LYS 52 -1.594 13.714 -5.817 376 2HZ LYS 52 2HZ LYS 52 -2.411 15.079 -5.453 377 3HZ LYS 52 3HZ LYS 52 -1.465 14.460 -4.344 378 H ASN 53 H ASN 53 -5.960 11.890 -8.367 379 HA ASN 53 HA ASN 53 -8.723 11.108 -8.785 380 1HB ASN 53 1HB ASN 53 -8.263 11.576 -11.208 381 2HB ASN 53 2HB ASN 53 -7.594 12.812 -10.180 382 1HD2 ASN 53 1HD2 ASN 53 -5.143 11.459 -12.829 383 2HD2 ASN 53 2HD2 ASN 53 -6.950 11.655 -12.935 384 H ASN 54 H ASN 54 -5.845 9.427 -10.085 385 HA ASN 54 HA ASN 54 -5.412 7.094 -10.539 386 1HB ASN 54 1HB ASN 54 -7.256 7.079 -8.052 387 2HB ASN 54 2HB ASN 54 -6.448 5.643 -8.619 388 1HD2 ASN 54 1HD2 ASN 54 -3.477 8.158 -7.668 389 2HD2 ASN 54 2HD2 ASN 54 -4.445 8.334 -9.199 390 H ASP 55 H ASP 55 -6.360 6.788 -12.604 391 HA ASP 55 HA ASP 55 -8.739 5.651 -13.461 392 1HB ASP 55 1HB ASP 55 -5.865 4.657 -13.892 393 2HB ASP 55 2HB ASP 55 -7.214 3.869 -14.698 394 H GLY 56 H GLY 56 -6.627 4.009 -11.119 395 1HA GLY 56 1HA GLY 56 -8.684 2.337 -9.954 396 2HA GLY 56 2HA GLY 56 -7.883 1.313 -11.152 397 H ARG 57 H ARG 57 -5.217 2.403 -10.740 398 HA ARG 57 HA ARG 57 -4.603 0.578 -8.351 399 1HB ARG 57 1HB ARG 57 -3.198 0.542 -11.082 400 2HB ARG 57 2HB ARG 57 -3.070 -0.655 -9.794 401 1HG ARG 57 1HG ARG 57 -4.654 -1.795 -11.054 402 2HG ARG 57 2HG ARG 57 -5.807 -0.767 -10.206 403 1HD ARG 57 1HD ARG 57 -6.240 0.567 -12.118 404 2HD ARG 57 2HD ARG 57 -4.579 0.447 -12.698 405 HE ARG 57 HE ARG 57 -4.938 -1.743 -13.711 406 1HH1 ARG 57 2HH1 ARG 57 -7.821 -0.806 -12.033 407 2HH1 ARG 57 1HH1 ARG 57 -8.786 -2.148 -12.842 408 1HH2 ARG 57 1HH2 ARG 57 -6.046 -3.093 -14.668 409 2HH2 ARG 57 2HH2 ARG 57 -7.826 -3.351 -14.320 410 H ILE 58 H ILE 58 -2.344 0.486 -7.639 411 HA ILE 58 HA ILE 58 -1.005 3.222 -7.611 412 HB ILE 58 HB ILE 58 -0.954 0.918 -5.602 413 1HG1 ILE 58 1HG1 ILE 58 -2.036 3.810 -5.373 414 2HG1 ILE 58 2HG1 ILE 58 -3.004 2.368 -5.506 415 1HG2 ILE 58 1HG2 ILE 58 1.351 1.968 -5.629 416 2HG2 ILE 58 2HG2 ILE 58 0.641 3.576 -5.389 417 3HG2 ILE 58 3HG2 ILE 58 0.524 2.336 -4.119 418 1HD1 ILE 58 1HD1 ILE 58 -2.141 1.490 -3.289 419 2HD1 ILE 58 2HD1 ILE 58 -1.247 3.015 -3.063 420 3HD1 ILE 58 3HD1 ILE 58 -3.021 3.034 -3.165 421 H ASP 59 H ASP 59 0.958 3.527 -8.564 422 HA ASP 59 HA ASP 59 2.930 1.181 -8.642 423 1HB ASP 59 1HB ASP 59 3.923 2.261 -10.663 424 2HB ASP 59 2HB ASP 59 2.219 1.893 -10.889 425 H PHE 60 H PHE 60 5.322 2.300 -8.988 426 HA PHE 60 HA PHE 60 5.966 2.096 -6.184 427 1HB PHE 60 1HB PHE 60 7.434 1.595 -8.283 428 2HB PHE 60 2HB PHE 60 7.854 3.275 -8.306 429 HD1 PHE 60 HD1 PHE 60 7.572 2.441 -4.840 430 HD2 PHE 60 HD2 PHE 60 10.159 1.882 -8.223 431 HE1 PHE 60 HE1 PHE 60 9.480 2.034 -3.326 432 HE2 PHE 60 HE2 PHE 60 12.049 1.477 -6.714 433 HZ PHE 60 HZ PHE 60 11.725 1.558 -4.262 434 H ASP 61 H ASP 61 5.791 5.056 -8.137 435 HA ASP 61 HA ASP 61 6.633 7.102 -6.234 436 1HB ASP 61 1HB ASP 61 4.239 7.502 -8.209 437 2HB ASP 61 2HB ASP 61 5.625 8.501 -7.839 438 H GLU 62 H GLU 62 3.260 6.443 -7.004 439 HA GLU 62 HA GLU 62 1.819 7.439 -4.738 440 1HB GLU 62 1HB GLU 62 1.037 4.757 -5.896 441 2HB GLU 62 2HB GLU 62 0.016 6.021 -5.280 442 1HG GLU 62 1HG GLU 62 1.517 7.011 -7.659 443 2HG GLU 62 2HG GLU 62 0.688 5.512 -8.038 444 H PHE 63 H PHE 63 3.781 4.481 -4.764 445 HA PHE 63 HA PHE 63 2.820 3.321 -2.171 446 1HB PHE 63 1HB PHE 63 4.082 2.089 -4.058 447 2HB PHE 63 2HB PHE 63 5.526 2.915 -3.577 448 HD1 PHE 63 HD1 PHE 63 2.909 0.665 -1.927 449 HD2 PHE 63 HD2 PHE 63 7.064 1.717 -2.310 450 HE1 PHE 63 HE1 PHE 63 3.500 -0.960 -0.167 451 HE2 PHE 63 HE2 PHE 63 7.632 0.081 -0.581 452 HZ PHE 63 HZ PHE 63 5.851 -1.192 0.569 453 H LEU 64 H LEU 64 5.699 5.254 -3.041 454 HA LEU 64 HA LEU 64 6.755 5.685 -0.360 455 1HB LEU 64 1HB LEU 64 6.995 7.398 -2.888 456 2HB LEU 64 2HB LEU 64 7.867 7.775 -1.422 457 HG LEU 64 HG LEU 64 8.181 5.037 -2.775 458 1HD1 LEU 64 1HD1 LEU 64 9.707 7.649 -3.436 459 2HD1 LEU 64 2HD1 LEU 64 10.217 6.015 -3.940 460 3HD1 LEU 64 3HD1 LEU 64 8.682 6.668 -4.518 461 1HD2 LEU 64 1HD2 LEU 64 10.022 6.663 -0.870 462 2HD2 LEU 64 2HD2 LEU 64 9.168 5.138 -0.494 463 3HD2 LEU 64 3HD2 LEU 64 10.482 5.142 -1.678 464 H LYS 65 H LYS 65 4.168 7.450 -2.009 465 HA LYS 65 HA LYS 65 3.685 9.349 0.258 466 1HB LYS 65 1HB LYS 65 1.902 8.513 -2.098 467 2HB LYS 65 2HB LYS 65 1.797 10.026 -1.219 468 1HG LYS 65 1HG LYS 65 4.409 10.177 -2.242 469 2HG LYS 65 2HG LYS 65 3.643 9.128 -3.449 470 1HD LYS 65 1HD LYS 65 2.085 10.708 -4.142 471 2HD LYS 65 2HD LYS 65 2.004 11.548 -2.590 472 1HE LYS 65 1HE LYS 65 3.786 11.991 -5.019 473 2HE LYS 65 2HE LYS 65 3.074 13.174 -3.907 474 1HZ LYS 65 1HZ LYS 65 4.787 12.167 -2.136 475 2HZ LYS 65 2HZ LYS 65 5.548 11.502 -3.415 476 3HZ LYS 65 3HZ LYS 65 5.449 13.104 -3.321 477 H MET 66 H MET 66 1.676 6.614 -0.972 478 HA MET 66 HA MET 66 -0.102 6.172 1.104 479 1HB MET 66 1HB MET 66 0.098 4.814 -1.022 480 2HB MET 66 2HB MET 66 1.444 3.933 -0.331 481 1HG MET 66 1HG MET 66 -0.712 3.676 1.596 482 2HG MET 66 2HG MET 66 -1.391 3.335 -0.008 483 1HE MET 66 1HE MET 66 1.197 2.401 -1.620 484 2HE MET 66 2HE MET 66 1.051 0.627 -1.444 485 3HE MET 66 3HE MET 66 -0.410 1.619 -1.733 486 H MET 67 H MET 67 3.351 5.487 1.469 487 HA MET 67 HA MET 67 2.992 4.850 4.424 488 1HB MET 67 1HB MET 67 5.590 5.685 2.984 489 2HB MET 67 2HB MET 67 5.439 4.956 4.571 490 1HG MET 67 1HG MET 67 4.236 3.265 2.389 491 2HG MET 67 2HG MET 67 5.991 3.501 2.266 492 1HE MET 67 1HE MET 67 4.313 1.119 2.504 493 2HE MET 67 2HE MET 67 5.361 0.069 3.511 494 3HE MET 67 3HE MET 67 3.754 0.577 4.116 495 H GLU 68 H GLU 68 4.665 7.511 2.688 496 HA GLU 68 HA GLU 68 4.843 8.929 5.301 497 1HB GLU 68 1HB GLU 68 6.823 8.407 3.921 498 2HB GLU 68 2HB GLU 68 6.286 9.476 2.662 499 1HG GLU 68 1HG GLU 68 6.411 11.126 5.054 500 2HG GLU 68 2HG GLU 68 7.845 10.117 5.097 501 H GLY 69 H GLY 69 3.124 9.700 2.288 502 1HA GLY 69 1HA GLY 69 3.498 12.624 2.212 503 2HA GLY 69 2HA GLY 69 2.182 11.747 1.423 504 H VAL 70 H VAL 70 0.325 11.102 2.861 505 HA VAL 70 HA VAL 70 -0.403 13.495 4.655 506 HB VAL 70 HB VAL 70 -2.464 11.858 3.096 507 1HG1 VAL 70 1HG1 VAL 70 -2.620 14.652 4.439 508 2HG1 VAL 70 2HG1 VAL 70 -3.923 13.905 3.479 509 3HG1 VAL 70 3HG1 VAL 70 -3.424 13.167 5.003 510 1HG2 VAL 70 1HG2 VAL 70 -0.981 12.996 1.394 511 2HG2 VAL 70 2HG2 VAL 70 -2.589 13.703 1.403 512 3HG2 VAL 70 3HG2 VAL 70 -1.232 14.567 2.186 513 H GLN 71 H GLN 71 -1.017 13.035 6.657 514 HA GLN 71 HA GLN 71 -0.426 10.255 7.617 515 1HB GLN 71 1HB GLN 71 -0.202 11.484 9.878 516 2HB GLN 71 2HB GLN 71 0.951 11.864 8.601 517 1HG GLN 71 1HG GLN 71 -0.194 13.999 8.101 518 2HG GLN 71 2HG GLN 71 -1.589 13.595 9.084 519 1HE2 GLN 71 1HE2 GLN 71 1.771 14.550 11.237 520 2HE2 GLN 71 2HE2 GLN 71 1.867 13.319 9.861 521 1HN NH2 72 1HN NH2 72 -2.114 11.721 10.188 522 2HN NH2 72 2HN NH2 72 -3.666 10.856 10.023 No H/Q in entry = 522 Start of MODEL 30 1 1H ACE 1 1HH3 ACE 1 19.684 11.840 2.997 2 2H ACE 1 2HH3 ACE 1 20.885 10.504 2.884 3 3H ACE 1 3HH3 ACE 1 20.948 11.881 1.747 4 H LYS 2 H LYS 2 18.704 9.233 2.728 5 HA LYS 2 HA LYS 2 16.582 8.603 1.704 6 1HB LYS 2 1HB LYS 2 16.655 11.070 0.755 7 2HB LYS 2 2HB LYS 2 17.195 10.355 -0.748 8 1HG LYS 2 1HG LYS 2 14.949 8.804 -0.424 9 2HG LYS 2 2HG LYS 2 14.496 10.028 0.734 10 1HD LYS 2 1HD LYS 2 13.459 10.878 -1.197 11 2HD LYS 2 2HD LYS 2 14.981 11.768 -1.277 12 1HE LYS 2 1HE LYS 2 15.890 9.669 -2.658 13 2HE LYS 2 2HE LYS 2 14.183 9.276 -2.934 14 1HZ LYS 2 1HZ LYS 2 15.122 12.122 -3.498 15 2HZ LYS 2 2HZ LYS 2 15.429 10.943 -4.561 16 3HZ LYS 2 3HZ LYS 2 13.925 11.263 -4.268 17 H SER 3 H SER 3 16.880 6.564 1.255 18 HA SER 3 HA SER 3 18.226 5.752 -1.370 19 1HB SER 3 1HB SER 3 19.286 3.880 -0.457 20 2HB SER 3 2HB SER 3 19.555 5.086 0.779 21 HG SER 3 HG SER 3 17.836 4.230 1.989 22 H GLU 4 H GLU 4 17.292 3.912 -2.410 23 HA GLU 4 HA GLU 4 14.319 3.509 -1.816 24 1HB GLU 4 1HB GLU 4 15.579 3.199 -4.562 25 2HB GLU 4 2HB GLU 4 13.945 2.797 -4.092 26 1HG GLU 4 1HG GLU 4 15.111 5.469 -4.830 27 2HG GLU 4 2HG GLU 4 13.457 4.894 -5.006 28 H GLU 5 H GLU 5 16.684 2.198 -0.629 29 HA GLU 5 HA GLU 5 17.243 -0.261 -2.083 30 1HB GLU 5 1HB GLU 5 19.046 0.793 -1.035 31 2HB GLU 5 2HB GLU 5 18.264 0.911 0.512 32 1HG GLU 5 1HG GLU 5 19.852 -0.792 0.945 33 2HG GLU 5 2HG GLU 5 18.465 -1.790 0.549 34 H GLU 6 H GLU 6 16.245 -0.247 1.353 35 HA GLU 6 HA GLU 6 15.404 -3.108 1.299 36 1HB GLU 6 1HB GLU 6 14.460 -2.446 3.661 37 2HB GLU 6 2HB GLU 6 16.155 -2.710 3.382 38 1HG GLU 6 1HG GLU 6 15.887 -0.730 4.835 39 2HG GLU 6 2HG GLU 6 16.539 -0.173 3.305 40 H LEU 7 H LEU 7 13.798 -0.158 0.573 41 HA LEU 7 HA LEU 7 10.977 -1.292 0.830 42 1HB LEU 7 1HB LEU 7 12.031 1.482 0.061 43 2HB LEU 7 2HB LEU 7 10.339 1.062 -0.035 44 HG LEU 7 HG LEU 7 11.926 0.891 2.596 45 1HD1 LEU 7 1HD1 LEU 7 11.992 3.228 1.747 46 2HD1 LEU 7 2HD1 LEU 7 10.222 3.245 1.531 47 3HD1 LEU 7 3HD1 LEU 7 10.934 3.118 3.161 48 1HD2 LEU 7 1HD2 LEU 7 8.869 0.965 2.033 49 2HD2 LEU 7 2HD2 LEU 7 9.802 -0.411 2.682 50 3HD2 LEU 7 3HD2 LEU 7 9.618 1.054 3.649 51 H ALA 8 H ALA 8 13.321 -0.610 -1.778 52 HA ALA 8 HA ALA 8 11.630 -1.667 -3.911 53 1HB ALA 8 1HB ALA 8 14.706 -1.633 -3.569 54 2HB ALA 8 2HB ALA 8 13.850 -1.957 -5.090 55 3HB ALA 8 3HB ALA 8 13.699 -0.373 -4.319 56 H ASN 9 H ASN 9 14.296 -3.539 -2.320 57 HA ASN 9 HA ASN 9 13.433 -6.229 -2.633 58 1HB ASN 9 1HB ASN 9 14.579 -4.806 -0.138 59 2HB ASN 9 2HB ASN 9 14.302 -6.526 -0.165 60 1HD2 ASN 9 1HD2 ASN 9 17.417 -7.074 -1.700 61 2HD2 ASN 9 2HD2 ASN 9 16.025 -7.705 -0.711 62 H ALA 10 H ALA 10 12.007 -3.911 -0.335 63 HA ALA 10 HA ALA 10 10.012 -5.745 0.883 64 1HB ALA 10 1HB ALA 10 10.910 -3.683 1.978 65 2HB ALA 10 2HB ALA 10 10.107 -2.652 0.766 66 3HB ALA 10 3HB ALA 10 9.139 -3.632 1.888 67 H PHE 11 H PHE 11 9.675 -3.259 -1.670 68 HA PHE 11 HA PHE 11 6.835 -3.694 -2.218 69 1HB PHE 11 1HB PHE 11 8.111 -1.606 -2.723 70 2HB PHE 11 2HB PHE 11 9.021 -2.422 -3.949 71 HD1 PHE 11 HD1 PHE 11 6.577 -3.998 -5.208 72 HD2 PHE 11 HD2 PHE 11 7.199 0.142 -4.213 73 HE1 PHE 11 HE1 PHE 11 4.938 -3.331 -6.916 74 HE2 PHE 11 HE2 PHE 11 5.554 0.788 -5.928 75 HZ PHE 11 HZ PHE 11 4.418 -0.949 -7.277 76 H ARG 12 H ARG 12 9.677 -4.966 -3.978 77 HA ARG 12 HA ARG 12 8.262 -6.729 -5.802 78 1HB ARG 12 1HB ARG 12 10.320 -7.604 -6.397 79 2HB ARG 12 2HB ARG 12 10.795 -6.047 -5.728 80 1HG ARG 12 1HG ARG 12 11.867 -6.999 -3.864 81 2HG ARG 12 2HG ARG 12 10.747 -8.362 -3.746 82 1HD ARG 12 1HD ARG 12 12.857 -9.320 -4.453 83 2HD ARG 12 2HD ARG 12 11.815 -9.333 -5.903 84 HE ARG 12 HE ARG 12 12.973 -7.007 -6.484 85 1HH1 ARG 12 2HH1 ARG 12 14.637 -9.520 -4.776 86 2HH1 ARG 12 1HH1 ARG 12 16.276 -8.918 -5.321 87 1HH2 ARG 12 1HH2 ARG 12 14.811 -6.346 -7.077 88 2HH2 ARG 12 2HH2 ARG 12 16.349 -7.192 -6.581 89 H ILE 13 H ILE 13 9.149 -7.252 -2.418 90 HA ILE 13 HA ILE 13 8.563 -10.176 -2.380 91 HB ILE 13 HB ILE 13 9.169 -8.164 -0.158 92 1HG1 ILE 13 1HG1 ILE 13 11.064 -9.140 -1.761 93 2HG1 ILE 13 2HG1 ILE 13 11.349 -8.991 -0.048 94 1HG2 ILE 13 1HG2 ILE 13 7.646 -9.907 0.854 95 2HG2 ILE 13 2HG2 ILE 13 8.680 -11.211 0.224 96 3HG2 ILE 13 3HG2 ILE 13 9.272 -10.107 1.481 97 1HD1 ILE 13 1HD1 ILE 13 10.846 -11.424 0.350 98 2HD1 ILE 13 2HD1 ILE 13 10.610 -11.655 -1.400 99 3HD1 ILE 13 3HD1 ILE 13 12.199 -11.170 -0.776 100 H PHE 14 H PHE 14 6.752 -7.261 -1.692 101 HA PHE 14 HA PHE 14 4.252 -8.611 -0.620 102 1HB PHE 14 1HB PHE 14 4.825 -5.758 -1.659 103 2HB PHE 14 2HB PHE 14 3.235 -6.287 -1.217 104 HD1 PHE 14 HD1 PHE 14 4.510 -8.078 1.244 105 HD2 PHE 14 HD2 PHE 14 4.652 -3.954 0.054 106 HE1 PHE 14 HE1 PHE 14 4.902 -7.415 3.583 107 HE2 PHE 14 HE2 PHE 14 5.067 -3.298 2.392 108 HZ PHE 14 HZ PHE 14 5.151 -5.027 4.169 109 H ASP 15 H ASP 15 5.650 -7.652 -3.707 110 HA ASP 15 HA ASP 15 3.246 -7.707 -5.343 111 1HB ASP 15 1HB ASP 15 5.347 -6.499 -5.922 112 2HB ASP 15 2HB ASP 15 6.213 -8.012 -6.135 113 H LYS 16 H LYS 16 2.787 -9.161 -7.175 114 HA LYS 16 HA LYS 16 3.452 -12.050 -6.776 115 1HB LYS 16 1HB LYS 16 1.584 -12.777 -5.773 116 2HB LYS 16 2HB LYS 16 1.042 -11.135 -5.573 117 1HG LYS 16 1HG LYS 16 -0.631 -11.390 -7.198 118 2HG LYS 16 2HG LYS 16 0.428 -12.270 -8.292 119 1HD LYS 16 1HD LYS 16 -1.696 -13.423 -6.952 120 2HD LYS 16 2HD LYS 16 -0.323 -14.292 -7.634 121 1HE LYS 16 1HE LYS 16 0.670 -14.827 -5.623 122 2HE LYS 16 2HE LYS 16 0.111 -13.367 -4.782 123 1HZ LYS 16 1HZ LYS 16 -2.293 -14.591 -5.423 124 2HZ LYS 16 2HZ LYS 16 -1.351 -15.911 -5.287 125 3HZ LYS 16 3HZ LYS 16 -1.539 -14.919 -3.990 126 H ASN 17 H ASN 17 1.331 -9.770 -8.540 127 HA ASN 17 HA ASN 17 1.297 -11.397 -10.989 128 1HB ASN 17 1HB ASN 17 -0.654 -10.108 -10.283 129 2HB ASN 17 2HB ASN 17 0.203 -8.594 -10.383 130 1HD2 ASN 17 1HD2 ASN 17 -0.310 -8.443 -13.966 131 2HD2 ASN 17 2HD2 ASN 17 0.729 -7.825 -12.640 132 H ALA 18 H ALA 18 3.083 -8.445 -10.159 133 HA ALA 18 HA ALA 18 5.336 -7.916 -10.826 134 1HB ALA 18 1HB ALA 18 5.503 -10.433 -10.836 135 2HB ALA 18 2HB ALA 18 4.980 -10.456 -12.535 136 3HB ALA 18 3HB ALA 18 6.526 -9.704 -12.104 137 H ASP 19 H ASP 19 3.756 -6.193 -11.990 138 HA ASP 19 HA ASP 19 5.345 -5.680 -14.558 139 1HB ASP 19 1HB ASP 19 2.546 -4.586 -13.855 140 2HB ASP 19 2HB ASP 19 3.509 -4.016 -15.211 141 H GLY 20 H GLY 20 6.063 -5.264 -11.650 142 1HA GLY 20 1HA GLY 20 6.746 -3.584 -10.036 143 2HA GLY 20 2HA GLY 20 6.998 -2.536 -11.437 144 H TYR 21 H TYR 21 3.751 -3.681 -10.756 145 HA TYR 21 HA TYR 21 3.002 -0.992 -9.447 146 1HB TYR 21 1HB TYR 21 1.102 -2.803 -11.057 147 2HB TYR 21 2HB TYR 21 0.761 -1.217 -10.428 148 HD1 TYR 21 HD1 TYR 21 3.623 -0.021 -11.409 149 HD2 TYR 21 HD2 TYR 21 0.520 -2.292 -13.337 150 HE1 TYR 21 HE1 TYR 21 4.218 0.977 -13.591 151 HE2 TYR 21 HE2 TYR 21 1.133 -1.278 -15.497 152 HH TYR 21 HH TYR 21 3.244 1.430 -15.718 153 H ILE 22 H ILE 22 1.498 -1.003 -7.718 154 HA ILE 22 HA ILE 22 0.603 -3.686 -6.560 155 HB ILE 22 HB ILE 22 0.153 -1.001 -5.189 156 1HG1 ILE 22 1HG1 ILE 22 2.730 -1.476 -5.793 157 2HG1 ILE 22 2HG1 ILE 22 2.265 -0.831 -4.242 158 1HG2 ILE 22 1HG2 ILE 22 -1.034 -3.015 -4.205 159 2HG2 ILE 22 2HG2 ILE 22 0.513 -3.865 -4.031 160 3HG2 ILE 22 3HG2 ILE 22 0.162 -2.402 -3.076 161 1HD1 ILE 22 1HD1 ILE 22 2.332 -3.153 -3.196 162 2HD1 ILE 22 2HD1 ILE 22 3.002 -3.775 -4.726 163 3HD1 ILE 22 3HD1 ILE 22 3.900 -2.558 -3.795 164 H ASP 23 H ASP 23 -1.519 -4.231 -6.289 165 HA ASP 23 HA ASP 23 -3.672 -2.423 -7.503 166 1HB ASP 23 1HB ASP 23 -4.739 -4.432 -8.384 167 2HB ASP 23 2HB ASP 23 -3.036 -4.489 -8.816 168 H ILE 24 H ILE 24 -5.914 -2.869 -6.752 169 HA ILE 24 HA ILE 24 -6.064 -2.183 -3.830 170 HB ILE 24 HB ILE 24 -7.659 -1.402 -5.810 171 1HG1 ILE 24 1HG1 ILE 24 -8.512 -1.893 -2.895 172 2HG1 ILE 24 2HG1 ILE 24 -7.982 -0.404 -3.630 173 1HG2 ILE 24 1HG2 ILE 24 -8.565 -3.689 -6.432 174 2HG2 ILE 24 2HG2 ILE 24 -9.225 -3.887 -4.796 175 3HG2 ILE 24 3HG2 ILE 24 -9.867 -2.641 -5.896 176 1HD1 ILE 24 1HD1 ILE 24 -10.090 -0.297 -5.055 177 2HD1 ILE 24 2HD1 ILE 24 -10.721 -1.695 -4.150 178 3HD1 ILE 24 3HD1 ILE 24 -10.371 -0.176 -3.298 179 H GLU 25 H GLU 25 -6.283 -5.093 -5.729 180 HA GLU 25 HA GLU 25 -7.667 -6.745 -3.641 181 1HB GLU 25 1HB GLU 25 -6.447 -7.493 -6.331 182 2HB GLU 25 2HB GLU 25 -7.120 -8.677 -5.254 183 1HG GLU 25 1HG GLU 25 -9.310 -6.946 -5.448 184 2HG GLU 25 2HG GLU 25 -8.557 -6.650 -7.004 185 H GLU 26 H GLU 26 -4.338 -6.202 -4.605 186 HA GLU 26 HA GLU 26 -3.184 -8.054 -2.543 187 1HB GLU 26 1HB GLU 26 -1.905 -5.971 -4.356 188 2HB GLU 26 2HB GLU 26 -0.993 -6.789 -3.125 189 1HG GLU 26 1HG GLU 26 -1.330 -9.006 -4.249 190 2HG GLU 26 2HG GLU 26 -2.462 -8.314 -5.395 191 H LEU 27 H LEU 27 -4.314 -4.776 -2.523 192 HA LEU 27 HA LEU 27 -2.685 -3.443 -0.476 193 1HB LEU 27 1HB LEU 27 -4.341 -2.316 -1.950 194 2HB LEU 27 2HB LEU 27 -5.664 -3.134 -1.159 195 HG LEU 27 HG LEU 27 -5.734 -1.683 0.631 196 1HD1 LEU 27 1HD1 LEU 27 -3.572 -2.483 1.589 197 2HD1 LEU 27 2HD1 LEU 27 -2.653 -1.359 0.547 198 3HD1 LEU 27 3HD1 LEU 27 -3.765 -0.744 1.804 199 1HD2 LEU 27 1HD2 LEU 27 -3.983 0.066 -1.252 200 2HD2 LEU 27 2HD2 LEU 27 -5.762 -0.103 -1.327 201 3HD2 LEU 27 3HD2 LEU 27 -5.012 0.650 0.085 202 H GLY 28 H GLY 28 -5.947 -4.709 0.187 203 1HA GLY 28 1HA GLY 28 -5.881 -5.308 3.026 204 2HA GLY 28 2HA GLY 28 -6.746 -6.283 1.831 205 H GLU 29 H GLU 29 -4.813 -7.578 0.395 206 HA GLU 29 HA GLU 29 -4.536 -9.823 2.345 207 1HB GLU 29 1HB GLU 29 -3.982 -9.608 -0.638 208 2HB GLU 29 2HB GLU 29 -3.560 -11.035 0.258 209 1HG GLU 29 1HG GLU 29 -5.965 -11.495 0.797 210 2HG GLU 29 2HG GLU 29 -6.467 -9.952 0.131 211 H ILE 30 H ILE 30 -2.298 -7.571 0.855 212 HA ILE 30 HA ILE 30 0.217 -8.590 2.135 213 HB ILE 30 HB ILE 30 -0.569 -5.832 1.073 214 1HG1 ILE 30 1HG1 ILE 30 1.125 -6.177 -0.681 215 2HG1 ILE 30 2HG1 ILE 30 1.721 -7.632 0.071 216 1HG2 ILE 30 1HG2 ILE 30 0.991 -5.460 3.018 217 2HG2 ILE 30 2HG2 ILE 30 2.168 -6.600 2.316 218 3HG2 ILE 30 3HG2 ILE 30 1.791 -5.056 1.502 219 1HD1 ILE 30 1HD1 ILE 30 -1.082 -7.487 -1.228 220 2HD1 ILE 30 2HD1 ILE 30 0.384 -8.233 -1.899 221 3HD1 ILE 30 3HD1 ILE 30 -0.352 -8.905 -0.430 222 H LEU 31 H LEU 31 -2.054 -5.959 3.010 223 HA LEU 31 HA LEU 31 -0.858 -5.644 5.746 224 1HB LEU 31 1HB LEU 31 -2.195 -3.717 5.994 225 2HB LEU 31 2HB LEU 31 -1.686 -3.712 4.323 226 HG LEU 31 HG LEU 31 -4.101 -4.911 3.930 227 1HD1 LEU 31 1HD1 LEU 31 -4.494 -3.280 6.530 228 2HD1 LEU 31 2HD1 LEU 31 -5.805 -3.885 5.481 229 3HD1 LEU 31 3HD1 LEU 31 -4.738 -5.034 6.294 230 1HD2 LEU 31 1HD2 LEU 31 -3.680 -1.863 4.343 231 2HD2 LEU 31 2HD2 LEU 31 -3.490 -2.772 2.817 232 3HD2 LEU 31 3HD2 LEU 31 -5.093 -2.597 3.539 233 H ARG 32 H ARG 32 -2.809 -8.062 4.766 234 HA ARG 32 HA ARG 32 -3.748 -8.431 7.674 235 1HB ARG 32 1HB ARG 32 -5.414 -8.069 5.752 236 2HB ARG 32 2HB ARG 32 -4.920 -9.621 5.079 237 1HG ARG 32 1HG ARG 32 -5.840 -9.481 8.010 238 2HG ARG 32 2HG ARG 32 -7.052 -9.307 6.727 239 1HD ARG 32 1HD ARG 32 -5.046 -11.670 6.803 240 2HD ARG 32 2HD ARG 32 -6.636 -11.746 7.595 241 HE ARG 32 HE ARG 32 -6.165 -11.925 4.671 242 1HH1 ARG 32 2HH1 ARG 32 -8.519 -10.751 6.941 243 2HH1 ARG 32 1HH1 ARG 32 -9.882 -10.942 5.739 244 1HH2 ARG 32 1HH2 ARG 32 -7.722 -12.104 3.338 245 2HH2 ARG 32 2HH2 ARG 32 -9.432 -11.682 3.808 246 H ALA 33 H ALA 33 -1.964 -9.843 4.999 247 HA ALA 33 HA ALA 33 -1.724 -12.572 5.842 248 1HB ALA 33 1HB ALA 33 -1.192 -11.712 3.567 249 2HB ALA 33 2HB ALA 33 0.257 -10.872 4.186 250 3HB ALA 33 3HB ALA 33 0.170 -12.647 4.207 251 H THR 34 H THR 34 0.894 -13.416 6.036 252 HA THR 34 HA THR 34 0.825 -13.588 9.006 253 HB THR 34 HB THR 34 2.553 -15.222 8.847 254 HG1 THR 34 HG1 THR 34 3.571 -15.595 6.770 255 1HG2 THR 34 2HG2 THR 34 0.321 -15.873 7.723 256 2HG2 THR 34 3HG2 THR 34 1.037 -15.436 6.150 257 3HG2 THR 34 1HG2 THR 34 1.719 -16.778 7.086 258 H GLY 35 H GLY 35 1.295 -11.679 10.025 259 1HA GLY 35 1HA GLY 35 2.786 -10.187 11.236 260 2HA GLY 35 2HA GLY 35 4.153 -11.132 10.632 261 1HN NH2 36 1HN NH2 36 5.644 -9.761 9.760 262 2HN NH2 36 2HN NH2 36 5.281 -8.473 8.580 263 1H ACE 37 1HH3 ACE 37 -12.345 -0.553 14.715 264 2H ACE 37 2HH3 ACE 37 -13.161 -0.719 13.122 265 3H ACE 37 3HH3 ACE 37 -13.507 -1.878 14.432 266 H VAL 38 H VAL 38 -10.527 -0.649 12.757 267 HA VAL 38 HA VAL 38 -9.197 -1.830 11.097 268 HB VAL 38 HB VAL 38 -8.956 -4.284 12.752 269 1HG1 VAL 38 1HG1 VAL 38 -6.919 -2.130 11.822 270 2HG1 VAL 38 2HG1 VAL 38 -6.472 -3.624 12.677 271 3HG1 VAL 38 3HG1 VAL 38 -7.204 -3.711 11.072 272 1HG2 VAL 38 1HG2 VAL 38 -9.469 -2.692 14.655 273 2HG2 VAL 38 2HG2 VAL 38 -7.760 -3.177 14.684 274 3HG2 VAL 38 3HG2 VAL 38 -8.221 -1.573 14.062 275 H THR 39 H THR 39 -10.887 -2.013 9.590 276 HA THR 39 HA THR 39 -11.488 -4.871 8.878 277 HB THR 39 HB THR 39 -13.786 -4.853 8.682 278 HG1 THR 39 HG1 THR 39 -14.107 -2.086 8.960 279 1HG2 THR 39 2HG2 THR 39 -13.348 -2.738 10.908 280 2HG2 THR 39 3HG2 THR 39 -14.820 -3.717 10.694 281 3HG2 THR 39 1HG2 THR 39 -13.286 -4.504 11.120 282 H GLU 40 H GLU 40 -12.539 -4.811 6.548 283 HA GLU 40 HA GLU 40 -10.611 -3.372 4.759 284 1HB GLU 40 1HB GLU 40 -11.014 -4.925 3.222 285 2HB GLU 40 2HB GLU 40 -11.655 -5.824 4.564 286 1HG GLU 40 1HG GLU 40 -13.856 -4.257 3.349 287 2HG GLU 40 2HG GLU 40 -13.003 -5.124 2.086 288 H GLU 41 H GLU 41 -13.990 -2.877 5.653 289 HA GLU 41 HA GLU 41 -14.701 -0.814 3.842 290 1HB GLU 41 1HB GLU 41 -16.013 -1.987 5.790 291 2HB GLU 41 2HB GLU 41 -15.528 -0.632 6.764 292 1HG GLU 41 1HG GLU 41 -16.736 0.959 5.160 293 2HG GLU 41 2HG GLU 41 -17.215 -0.404 4.165 294 H ASP 42 H ASP 42 -12.426 -0.455 6.481 295 HA ASP 42 HA ASP 42 -12.140 2.495 6.058 296 1HB ASP 42 1HB ASP 42 -10.757 0.468 7.918 297 2HB ASP 42 2HB ASP 42 -10.300 2.166 7.885 298 H ILE 43 H ILE 43 -10.349 -0.351 5.060 299 HA ILE 43 HA ILE 43 -8.184 1.015 3.506 300 HB ILE 43 HB ILE 43 -9.495 -1.725 3.258 301 1HG1 ILE 43 1HG1 ILE 43 -6.961 -2.449 3.441 302 2HG1 ILE 43 2HG1 ILE 43 -6.632 -0.810 3.933 303 1HG2 ILE 43 1HG2 ILE 43 -9.083 -1.001 0.874 304 2HG2 ILE 43 2HG2 ILE 43 -7.403 -0.580 1.263 305 3HG2 ILE 43 3HG2 ILE 43 -7.953 -2.274 1.310 306 1HD1 ILE 43 1HD1 ILE 43 -8.206 -1.003 5.905 307 2HD1 ILE 43 2HD1 ILE 43 -8.446 -2.727 5.519 308 3HD1 ILE 43 3HD1 ILE 43 -6.832 -2.129 5.960 309 H GLU 44 H GLU 44 -11.621 0.466 3.051 310 HA GLU 44 HA GLU 44 -11.714 1.566 0.261 311 1HB GLU 44 1HB GLU 44 -13.656 0.335 2.137 312 2HB GLU 44 2HB GLU 44 -14.350 1.606 1.177 313 1HG GLU 44 1HG GLU 44 -12.887 -0.063 -0.707 314 2HG GLU 44 2HG GLU 44 -13.703 -1.170 0.381 315 H ASP 45 H ASP 45 -12.140 2.877 3.479 316 HA ASP 45 HA ASP 45 -12.826 5.685 2.666 317 1HB ASP 45 1HB ASP 45 -11.801 4.383 5.254 318 2HB ASP 45 2HB ASP 45 -11.910 6.131 5.101 319 H LEU 46 H LEU 46 -9.839 3.865 3.207 320 HA LEU 46 HA LEU 46 -7.982 6.144 2.722 321 1HB LEU 46 1HB LEU 46 -7.463 4.101 4.066 322 2HB LEU 46 2HB LEU 46 -7.485 3.107 2.628 323 HG LEU 46 HG LEU 46 -5.467 4.297 1.707 324 1HD1 LEU 46 1HD1 LEU 46 -5.948 6.549 2.859 325 2HD1 LEU 46 2HD1 LEU 46 -5.345 5.815 4.373 326 3HD1 LEU 46 3HD1 LEU 46 -4.256 5.986 2.988 327 1HD2 LEU 46 1HD2 LEU 46 -5.461 2.443 3.846 328 2HD2 LEU 46 2HD2 LEU 46 -4.087 2.880 2.828 329 3HD2 LEU 46 3HD2 LEU 46 -4.323 3.709 4.394 330 H MET 47 H MET 47 -8.787 3.427 0.517 331 HA MET 47 HA MET 47 -7.668 4.925 -1.821 332 1HB MET 47 1HB MET 47 -7.707 2.305 -1.302 333 2HB MET 47 2HB MET 47 -9.285 2.352 -2.068 334 1HG MET 47 1HG MET 47 -7.777 1.792 -3.860 335 2HG MET 47 2HG MET 47 -8.178 3.498 -4.128 336 1HE MET 47 1HE MET 47 -5.632 1.179 -4.566 337 2HE MET 47 2HE MET 47 -5.775 2.596 -5.647 338 3HE MET 47 3HE MET 47 -4.241 2.299 -4.778 339 H LYS 48 H LYS 48 -10.616 5.386 -0.309 340 HA LYS 48 HA LYS 48 -11.711 6.593 -2.881 341 1HB LYS 48 1HB LYS 48 -13.790 6.698 -1.842 342 2HB LYS 48 2HB LYS 48 -13.160 5.181 -1.278 343 1HG LYS 48 1HG LYS 48 -14.036 6.039 0.759 344 2HG LYS 48 2HG LYS 48 -12.407 6.622 0.890 345 1HD LYS 48 1HD LYS 48 -12.958 8.802 0.842 346 2HD LYS 48 2HD LYS 48 -13.935 8.686 -0.584 347 1HE LYS 48 1HE LYS 48 -15.964 8.083 0.796 348 2HE LYS 48 2HE LYS 48 -14.971 7.835 2.221 349 1HZ LYS 48 1HZ LYS 48 -14.798 10.567 0.967 350 2HZ LYS 48 2HZ LYS 48 -16.090 10.223 1.944 351 3HZ LYS 48 3HZ LYS 48 -14.548 10.148 2.474 352 H ASP 49 H ASP 49 -10.305 7.495 0.209 353 HA ASP 49 HA ASP 49 -10.252 10.467 -0.338 354 1HB ASP 49 1HB ASP 49 -10.107 9.708 2.002 355 2HB ASP 49 2HB ASP 49 -8.690 8.722 1.669 356 H SER 50 H SER 50 -7.779 7.838 -0.661 357 HA SER 50 HA SER 50 -5.720 9.888 -1.518 358 1HB SER 50 1HB SER 50 -5.297 6.845 -1.280 359 2HB SER 50 2HB SER 50 -4.070 8.107 -1.229 360 HG SER 50 HG SER 50 -4.541 8.533 0.788 361 H ASP 51 H ASP 51 -7.828 7.563 -2.993 362 HA ASP 51 HA ASP 51 -6.593 7.298 -5.685 363 1HB ASP 51 1HB ASP 51 -8.609 5.991 -4.510 364 2HB ASP 51 2HB ASP 51 -9.614 7.276 -5.166 365 H LYS 52 H LYS 52 -7.900 8.286 -7.607 366 HA LYS 52 HA LYS 52 -8.832 11.117 -7.190 367 1HB LYS 52 1HB LYS 52 -6.549 10.581 -9.159 368 2HB LYS 52 2HB LYS 52 -7.264 12.135 -8.857 369 1HG LYS 52 1HG LYS 52 -5.394 12.399 -7.449 370 2HG LYS 52 2HG LYS 52 -6.394 11.583 -6.289 371 1HD LYS 52 1HD LYS 52 -5.437 9.346 -6.881 372 2HD LYS 52 2HD LYS 52 -4.380 10.030 -8.072 373 1HE LYS 52 1HE LYS 52 -4.254 10.280 -4.984 374 2HE LYS 52 2HE LYS 52 -3.019 9.676 -6.087 375 1HZ LYS 52 1HZ LYS 52 -3.842 12.587 -6.371 376 2HZ LYS 52 2HZ LYS 52 -2.700 12.158 -5.251 377 3HZ LYS 52 3HZ LYS 52 -2.499 11.898 -6.849 378 H ASN 53 H ASN 53 -7.964 10.595 -10.416 379 HA ASN 53 HA ASN 53 -10.780 10.546 -11.223 380 1HB ASN 53 1HB ASN 53 -9.643 10.560 -13.635 381 2HB ASN 53 2HB ASN 53 -9.460 11.936 -12.584 382 1HD2 ASN 53 1HD2 ASN 53 -6.166 9.975 -13.785 383 2HD2 ASN 53 2HD2 ASN 53 -7.834 9.437 -14.275 384 H ASN 54 H ASN 54 -9.466 7.969 -10.135 385 HA ASN 54 HA ASN 54 -10.366 5.741 -10.058 386 1HB ASN 54 1HB ASN 54 -12.149 7.003 -12.230 387 2HB ASN 54 2HB ASN 54 -12.163 5.272 -12.045 388 1HD2 ASN 54 1HD2 ASN 54 -14.685 5.724 -9.638 389 2HD2 ASN 54 2HD2 ASN 54 -14.132 4.954 -11.191 390 H ASP 55 H ASP 55 -8.028 6.629 -11.717 391 HA ASP 55 HA ASP 55 -7.566 3.923 -13.066 392 1HB ASP 55 1HB ASP 55 -6.659 6.319 -13.925 393 2HB ASP 55 2HB ASP 55 -5.366 6.021 -12.772 394 H GLY 56 H GLY 56 -8.088 2.954 -10.819 395 1HA GLY 56 1HA GLY 56 -6.749 4.097 -8.383 396 2HA GLY 56 2HA GLY 56 -7.873 2.730 -8.407 397 H ARG 57 H ARG 57 -5.502 1.935 -10.624 398 HA ARG 57 HA ARG 57 -3.933 0.276 -8.705 399 1HB ARG 57 1HB ARG 57 -3.270 -0.945 -10.562 400 2HB ARG 57 2HB ARG 57 -4.795 -0.272 -11.135 401 1HG ARG 57 1HG ARG 57 -3.637 1.435 -12.492 402 2HG ARG 57 2HG ARG 57 -2.092 1.126 -11.702 403 1HD ARG 57 1HD ARG 57 -1.919 -0.014 -13.834 404 2HD ARG 57 2HD ARG 57 -2.212 -1.298 -12.663 405 HE ARG 57 HE ARG 57 -4.753 -0.111 -13.841 406 1HH1 ARG 57 2HH1 ARG 57 -2.659 -2.862 -13.687 407 2HH1 ARG 57 1HH1 ARG 57 -3.812 -3.863 -14.716 408 1HH2 ARG 57 1HH2 ARG 57 -6.021 -1.248 -14.870 409 2HH2 ARG 57 2HH2 ARG 57 -5.708 -3.020 -15.222 410 H ILE 58 H ILE 58 -1.829 0.326 -8.164 411 HA ILE 58 HA ILE 58 -0.803 3.185 -8.004 412 HB ILE 58 HB ILE 58 -0.881 0.895 -5.991 413 1HG1 ILE 58 1HG1 ILE 58 -2.068 3.745 -6.012 414 2HG1 ILE 58 2HG1 ILE 58 -2.944 2.243 -6.078 415 1HG2 ILE 58 1HG2 ILE 58 1.401 1.957 -5.717 416 2HG2 ILE 58 2HG2 ILE 58 0.655 3.561 -5.570 417 3HG2 ILE 58 3HG2 ILE 58 0.381 2.316 -4.328 418 1HD1 ILE 58 1HD1 ILE 58 -2.215 1.623 -3.727 419 2HD1 ILE 58 2HD1 ILE 58 -1.424 3.214 -3.582 420 3HD1 ILE 58 3HD1 ILE 58 -3.183 3.115 -3.816 421 H ASP 59 H ASP 59 1.410 3.670 -7.853 422 HA ASP 59 HA ASP 59 3.419 1.484 -8.611 423 1HB ASP 59 1HB ASP 59 4.614 3.202 -9.947 424 2HB ASP 59 2HB ASP 59 2.938 3.068 -10.460 425 H PHE 60 H PHE 60 5.790 2.867 -8.283 426 HA PHE 60 HA PHE 60 6.267 2.070 -5.447 427 1HB PHE 60 1HB PHE 60 7.852 1.784 -7.505 428 2HB PHE 60 2HB PHE 60 8.260 3.459 -7.331 429 HD1 PHE 60 HD1 PHE 60 7.665 1.643 -4.186 430 HD2 PHE 60 HD2 PHE 60 10.678 2.838 -7.005 431 HE1 PHE 60 HE1 PHE 60 9.412 1.041 -2.571 432 HE2 PHE 60 HE2 PHE 60 12.430 2.244 -5.369 433 HZ PHE 60 HZ PHE 60 11.800 1.294 -3.169 434 H ASP 61 H ASP 61 5.875 5.173 -7.050 435 HA ASP 61 HA ASP 61 6.784 7.071 -4.967 436 1HB ASP 61 1HB ASP 61 6.210 8.163 -6.996 437 2HB ASP 61 2HB ASP 61 4.892 7.066 -7.363 438 H GLU 62 H GLU 62 3.459 6.628 -5.812 439 HA GLU 62 HA GLU 62 1.918 7.027 -3.434 440 1HB GLU 62 1HB GLU 62 1.269 4.723 -5.303 441 2HB GLU 62 2HB GLU 62 0.169 5.691 -4.368 442 1HG GLU 62 1HG GLU 62 0.965 7.729 -5.927 443 2HG GLU 62 2HG GLU 62 1.628 6.485 -6.970 444 H PHE 63 H PHE 63 4.056 4.241 -3.970 445 HA PHE 63 HA PHE 63 2.962 2.509 -1.765 446 1HB PHE 63 1HB PHE 63 4.341 1.715 -3.768 447 2HB PHE 63 2HB PHE 63 5.734 2.500 -3.110 448 HD1 PHE 63 HD1 PHE 63 6.254 1.933 -0.487 449 HD2 PHE 63 HD2 PHE 63 4.333 -0.709 -3.288 450 HE1 PHE 63 HE1 PHE 63 7.159 0.007 0.702 451 HE2 PHE 63 HE2 PHE 63 5.210 -2.640 -2.040 452 HZ PHE 63 HZ PHE 63 6.560 -2.291 0.005 453 H LEU 64 H LEU 64 5.955 4.447 -2.019 454 HA LEU 64 HA LEU 64 6.786 4.652 0.700 455 1HB LEU 64 1HB LEU 64 6.909 6.721 -1.548 456 2HB LEU 64 2HB LEU 64 7.646 7.035 0.003 457 HG LEU 64 HG LEU 64 8.403 4.478 -1.496 458 1HD1 LEU 64 1HD1 LEU 64 9.470 7.315 -2.133 459 2HD1 LEU 64 2HD1 LEU 64 10.238 5.794 -2.663 460 3HD1 LEU 64 3HD1 LEU 64 8.610 6.190 -3.221 461 1HD2 LEU 64 1HD2 LEU 64 9.969 6.364 0.416 462 2HD2 LEU 64 2HD2 LEU 64 9.383 4.715 0.779 463 3HD2 LEU 64 3HD2 LEU 64 10.666 4.950 -0.415 464 H LYS 65 H LYS 65 4.474 6.915 -0.833 465 HA LYS 65 HA LYS 65 3.873 8.372 1.685 466 1HB LYS 65 1HB LYS 65 3.083 9.859 0.193 467 2HB LYS 65 2HB LYS 65 3.833 8.848 -1.027 468 1HG LYS 65 1HG LYS 65 1.424 7.715 -1.230 469 2HG LYS 65 2HG LYS 65 0.860 9.064 -0.227 470 1HD LYS 65 1HD LYS 65 2.591 9.595 -2.690 471 2HD LYS 65 2HD LYS 65 0.857 9.339 -2.909 472 1HE LYS 65 1HE LYS 65 2.408 11.708 -1.777 473 2HE LYS 65 2HE LYS 65 0.957 11.689 -2.795 474 1HZ LYS 65 1HZ LYS 65 0.872 10.865 0.150 475 2HZ LYS 65 2HZ LYS 65 0.452 12.343 -0.394 476 3HZ LYS 65 3HZ LYS 65 -0.431 11.075 -0.838 477 H MET 66 H MET 66 2.272 5.687 -0.015 478 HA MET 66 HA MET 66 -0.095 5.433 1.583 479 1HB MET 66 1HB MET 66 0.118 4.177 -0.465 480 2HB MET 66 2HB MET 66 1.599 3.399 0.052 481 1HG MET 66 1HG MET 66 0.497 1.861 1.537 482 2HG MET 66 2HG MET 66 -1.006 2.803 1.577 483 1HE MET 66 1HE MET 66 1.073 0.075 -0.061 484 2HE MET 66 2HE MET 66 0.551 0.033 -1.772 485 3HE MET 66 3HE MET 66 1.524 1.409 -1.168 486 H MET 67 H MET 67 2.790 3.335 2.104 487 HA MET 67 HA MET 67 2.128 2.370 4.736 488 1HB MET 67 1HB MET 67 3.941 1.322 3.452 489 2HB MET 67 2HB MET 67 4.861 2.813 3.401 490 1HG MET 67 1HG MET 67 5.532 2.692 5.711 491 2HG MET 67 2HG MET 67 4.284 1.501 6.123 492 1HE MET 67 1HE MET 67 6.783 2.359 3.510 493 2HE MET 67 2HE MET 67 8.197 1.542 4.252 494 3HE MET 67 3HE MET 67 7.353 0.791 2.862 495 H GLU 68 H GLU 68 4.241 5.187 3.981 496 HA GLU 68 HA GLU 68 4.477 6.153 6.684 497 1HB GLU 68 1HB GLU 68 5.909 6.725 4.679 498 2HB GLU 68 2HB GLU 68 4.702 7.859 4.157 499 1HG GLU 68 1HG GLU 68 5.084 9.296 6.187 500 2HG GLU 68 2HG GLU 68 6.164 8.103 6.886 501 H GLY 69 H GLY 69 2.374 7.856 4.275 502 1HA GLY 69 1HA GLY 69 1.474 9.878 6.273 503 2HA GLY 69 2HA GLY 69 0.782 9.640 4.663 504 H VAL 70 H VAL 70 0.543 8.505 8.048 505 HA VAL 70 HA VAL 70 -2.485 8.412 7.506 506 HB VAL 70 HB VAL 70 -0.718 6.545 9.049 507 1HG1 VAL 70 1HG1 VAL 70 -3.541 7.266 10.120 508 2HG1 VAL 70 2HG1 VAL 70 -2.588 5.846 10.625 509 3HG1 VAL 70 3HG1 VAL 70 -2.001 7.471 10.990 510 1HG2 VAL 70 1HG2 VAL 70 -1.934 5.794 6.964 511 2HG2 VAL 70 2HG2 VAL 70 -2.438 4.855 8.361 512 3HG2 VAL 70 3HG2 VAL 70 -3.503 6.143 7.722 513 H GLN 71 H GLN 71 -3.202 10.330 8.085 514 HA GLN 71 HA GLN 71 -3.001 11.081 10.994 515 1HB GLN 71 1HB GLN 71 -2.586 13.207 8.816 516 2HB GLN 71 2HB GLN 71 -2.759 13.531 10.540 517 1HG GLN 71 1HG GLN 71 -0.677 11.702 10.636 518 2HG GLN 71 2HG GLN 71 -0.390 12.315 9.018 519 1HE2 GLN 71 1HE2 GLN 71 1.063 15.303 10.239 520 2HE2 GLN 71 2HE2 GLN 71 0.451 14.342 8.783 521 1HN NH2 72 1HN NH2 72 -4.763 11.272 7.849 522 2HN NH2 72 2HN NH2 72 -6.373 11.553 8.563 No H/Q in entry = 522 Start of MODEL 31 1 1H ACE 1 1HH3 ACE 1 15.326 8.315 -7.023 2 2H ACE 1 2HH3 ACE 1 16.672 7.124 -7.112 3 3H ACE 1 3HH3 ACE 1 15.048 6.621 -6.564 4 H LYS 2 H LYS 2 17.184 9.386 -5.561 5 HA LYS 2 HA LYS 2 18.777 9.308 -3.691 6 1HB LYS 2 1HB LYS 2 16.180 10.171 -3.176 7 2HB LYS 2 2HB LYS 2 16.398 9.047 -1.852 8 1HG LYS 2 1HG LYS 2 18.300 10.397 -0.956 9 2HG LYS 2 2HG LYS 2 18.516 11.227 -2.475 10 1HD LYS 2 1HD LYS 2 15.886 11.988 -1.862 11 2HD LYS 2 2HD LYS 2 16.544 11.786 -0.237 12 1HE LYS 2 1HE LYS 2 17.722 13.566 -2.475 13 2HE LYS 2 2HE LYS 2 16.939 14.153 -0.997 14 1HZ LYS 2 1HZ LYS 2 18.912 12.705 0.188 15 2HZ LYS 2 2HZ LYS 2 19.591 12.745 -1.279 16 3HZ LYS 2 3HZ LYS 2 19.385 14.116 -0.551 17 H SER 3 H SER 3 18.345 8.112 -1.089 18 HA SER 3 HA SER 3 18.862 5.258 -1.358 19 1HB SER 3 1HB SER 3 17.829 6.737 1.121 20 2HB SER 3 2HB SER 3 18.750 5.252 1.118 21 HG SER 3 HG SER 3 19.559 7.892 0.445 22 H GLU 4 H GLU 4 17.550 3.378 -0.914 23 HA GLU 4 HA GLU 4 14.671 3.408 -1.167 24 1HB GLU 4 1HB GLU 4 13.991 3.759 -3.230 25 2HB GLU 4 2HB GLU 4 15.441 4.733 -3.249 26 1HG GLU 4 1HG GLU 4 15.009 2.013 -4.651 27 2HG GLU 4 2HG GLU 4 15.299 3.572 -5.414 28 H GLU 5 H GLU 5 17.655 1.730 -1.840 29 HA GLU 5 HA GLU 5 17.293 -0.869 -2.182 30 1HB GLU 5 1HB GLU 5 19.379 -0.358 -1.386 31 2HB GLU 5 2HB GLU 5 18.815 0.459 0.039 32 1HG GLU 5 1HG GLU 5 18.961 -1.463 1.353 33 2HG GLU 5 2HG GLU 5 18.227 -2.495 0.140 34 H GLU 6 H GLU 6 16.460 0.055 1.189 35 HA GLU 6 HA GLU 6 15.441 -2.642 1.725 36 1HB GLU 6 1HB GLU 6 14.990 -1.881 4.004 37 2HB GLU 6 2HB GLU 6 16.598 -1.505 3.462 38 1HG GLU 6 1HG GLU 6 15.951 0.946 3.181 39 2HG GLU 6 2HG GLU 6 14.304 0.582 3.662 40 H LEU 7 H LEU 7 13.664 0.403 1.283 41 HA LEU 7 HA LEU 7 10.926 -0.839 1.303 42 1HB LEU 7 1HB LEU 7 11.965 1.878 0.337 43 2HB LEU 7 2HB LEU 7 10.287 1.414 0.203 44 HG LEU 7 HG LEU 7 11.702 1.432 2.928 45 1HD1 LEU 7 1HD1 LEU 7 11.993 3.688 1.920 46 2HD1 LEU 7 2HD1 LEU 7 10.249 3.802 1.567 47 3HD1 LEU 7 3HD1 LEU 7 10.830 3.757 3.252 48 1HD2 LEU 7 1HD2 LEU 7 8.706 1.661 2.126 49 2HD2 LEU 7 2HD2 LEU 7 9.490 0.282 2.944 50 3HD2 LEU 7 3HD2 LEU 7 9.340 1.826 3.785 51 H ALA 8 H ALA 8 13.368 -0.264 -1.236 52 HA ALA 8 HA ALA 8 11.916 -1.334 -3.468 53 1HB ALA 8 1HB ALA 8 14.912 -1.603 -2.738 54 2HB ALA 8 2HB ALA 8 14.223 -1.890 -4.349 55 3HB ALA 8 3HB ALA 8 14.144 -0.273 -3.638 56 H ASN 9 H ASN 9 14.268 -3.446 -1.716 57 HA ASN 9 HA ASN 9 13.167 -6.038 -1.981 58 1HB ASN 9 1HB ASN 9 14.162 -4.737 0.651 59 2HB ASN 9 2HB ASN 9 13.952 -6.450 0.418 60 1HD2 ASN 9 1HD2 ASN 9 16.919 -6.644 -1.694 61 2HD2 ASN 9 2HD2 ASN 9 15.223 -7.301 -1.616 62 H ALA 10 H ALA 10 11.908 -3.634 0.357 63 HA ALA 10 HA ALA 10 9.770 -5.338 1.512 64 1HB ALA 10 1HB ALA 10 10.848 -3.404 2.679 65 2HB ALA 10 2HB ALA 10 10.128 -2.260 1.517 66 3HB ALA 10 3HB ALA 10 9.087 -3.199 2.609 67 H PHE 11 H PHE 11 9.634 -2.768 -0.998 68 HA PHE 11 HA PHE 11 6.780 -3.031 -1.591 69 1HB PHE 11 1HB PHE 11 8.189 -1.026 -2.086 70 2HB PHE 11 2HB PHE 11 9.069 -1.904 -3.291 71 HD1 PHE 11 HD1 PHE 11 7.972 -2.514 -5.537 72 HD2 PHE 11 HD2 PHE 11 5.956 -0.082 -2.615 73 HE1 PHE 11 HE1 PHE 11 6.402 -1.720 -7.264 74 HE2 PHE 11 HE2 PHE 11 4.419 0.725 -4.363 75 HZ PHE 11 HZ PHE 11 4.628 -0.092 -6.679 76 H ARG 12 H ARG 12 9.574 -4.618 -3.152 77 HA ARG 12 HA ARG 12 8.063 -6.355 -4.954 78 1HB ARG 12 1HB ARG 12 10.774 -6.763 -3.570 79 2HB ARG 12 2HB ARG 12 10.121 -7.915 -4.729 80 1HG ARG 12 1HG ARG 12 10.106 -6.184 -6.531 81 2HG ARG 12 2HG ARG 12 10.558 -4.913 -5.387 82 1HD ARG 12 1HD ARG 12 12.810 -5.518 -5.356 83 2HD ARG 12 2HD ARG 12 12.457 -7.266 -5.436 84 HE ARG 12 HE ARG 12 11.672 -6.623 -7.974 85 1HH1 ARG 12 2HH1 ARG 12 14.437 -5.345 -6.321 86 2HH1 ARG 12 1HH1 ARG 12 15.365 -5.116 -7.881 87 1HH2 ARG 12 1HH2 ARG 12 12.722 -6.355 -9.704 88 2HH2 ARG 12 2HH2 ARG 12 14.409 -5.663 -9.714 89 H ILE 13 H ILE 13 8.875 -6.789 -1.501 90 HA ILE 13 HA ILE 13 8.189 -9.694 -1.456 91 HB ILE 13 HB ILE 13 9.031 -7.704 0.698 92 1HG1 ILE 13 1HG1 ILE 13 10.707 -9.019 -0.975 93 2HG1 ILE 13 2HG1 ILE 13 11.131 -8.673 0.680 94 1HG2 ILE 13 1HG2 ILE 13 7.388 -9.242 1.845 95 2HG2 ILE 13 2HG2 ILE 13 8.256 -10.668 1.230 96 3HG2 ILE 13 3HG2 ILE 13 9.013 -9.583 2.413 97 1HD1 ILE 13 1HD1 ILE 13 10.465 -10.978 1.439 98 2HD1 ILE 13 2HD1 ILE 13 10.080 -11.414 -0.244 99 3HD1 ILE 13 3HD1 ILE 13 11.745 -10.996 0.204 100 H PHE 14 H PHE 14 6.528 -6.716 -0.633 101 HA PHE 14 HA PHE 14 3.983 -7.934 0.398 102 1HB PHE 14 1HB PHE 14 4.643 -5.166 -0.802 103 2HB PHE 14 2HB PHE 14 3.038 -5.608 -0.322 104 HD1 PHE 14 HD1 PHE 14 4.628 -7.335 2.130 105 HD2 PHE 14 HD2 PHE 14 4.174 -3.243 0.907 106 HE1 PHE 14 HE1 PHE 14 5.049 -6.593 4.441 107 HE2 PHE 14 HE2 PHE 14 4.617 -2.506 3.214 108 HZ PHE 14 HZ PHE 14 5.067 -4.172 4.983 109 H ASP 15 H ASP 15 5.122 -6.804 -2.802 110 HA ASP 15 HA ASP 15 2.765 -7.334 -4.334 111 1HB ASP 15 1HB ASP 15 4.655 -5.965 -5.129 112 2HB ASP 15 2HB ASP 15 5.730 -7.355 -5.182 113 H LYS 16 H LYS 16 2.197 -8.984 -5.870 114 HA LYS 16 HA LYS 16 2.984 -11.774 -4.957 115 1HB LYS 16 1HB LYS 16 0.923 -12.257 -4.209 116 2HB LYS 16 2HB LYS 16 0.376 -10.640 -4.559 117 1HG LYS 16 1HG LYS 16 -0.629 -11.336 -6.664 118 2HG LYS 16 2HG LYS 16 0.408 -12.752 -6.794 119 1HD LYS 16 1HD LYS 16 -1.100 -13.088 -4.338 120 2HD LYS 16 2HD LYS 16 -2.228 -12.481 -5.548 121 1HE LYS 16 1HE LYS 16 -1.951 -15.097 -5.305 122 2HE LYS 16 2HE LYS 16 -2.172 -14.385 -6.917 123 1HZ LYS 16 1HZ LYS 16 0.668 -14.534 -5.892 124 2HZ LYS 16 2HZ LYS 16 -0.025 -15.936 -6.424 125 3HZ LYS 16 3HZ LYS 16 0.099 -14.661 -7.429 126 H ASN 17 H ASN 17 1.588 -9.752 -7.520 127 HA ASN 17 HA ASN 17 2.111 -11.894 -9.585 128 1HB ASN 17 1HB ASN 17 -0.173 -11.100 -9.408 129 2HB ASN 17 2HB ASN 17 0.290 -9.427 -9.569 130 1HD2 ASN 17 1HD2 ASN 17 0.360 -11.419 -13.106 131 2HD2 ASN 17 2HD2 ASN 17 1.492 -11.920 -11.807 132 H ALA 18 H ALA 18 2.794 -8.356 -9.277 133 HA ALA 18 HA ALA 18 4.999 -7.370 -9.555 134 1HB ALA 18 1HB ALA 18 5.845 -9.667 -8.941 135 2HB ALA 18 2HB ALA 18 5.723 -10.162 -10.644 136 3HB ALA 18 3HB ALA 18 6.876 -8.899 -10.180 137 H ASP 19 H ASP 19 2.936 -7.065 -11.625 138 HA ASP 19 HA ASP 19 4.739 -6.189 -13.906 139 1HB ASP 19 1HB ASP 19 2.761 -5.541 -15.055 140 2HB ASP 19 2HB ASP 19 2.266 -6.975 -14.166 141 H GLY 20 H GLY 20 4.956 -5.280 -10.980 142 1HA GLY 20 1HA GLY 20 6.476 -3.441 -10.397 143 2HA GLY 20 2HA GLY 20 5.874 -2.528 -11.787 144 H TYR 21 H TYR 21 3.123 -3.421 -10.244 145 HA TYR 21 HA TYR 21 2.968 -0.800 -8.623 146 1HB TYR 21 1HB TYR 21 0.723 -2.166 -10.241 147 2HB TYR 21 2HB TYR 21 0.503 -0.784 -9.209 148 HD1 TYR 21 HD1 TYR 21 3.404 0.405 -10.228 149 HD2 TYR 21 HD2 TYR 21 -0.266 -0.792 -12.125 150 HE1 TYR 21 HE1 TYR 21 3.858 1.942 -12.099 151 HE2 TYR 21 HE2 TYR 21 0.233 0.733 -14.007 152 HH TYR 21 HH TYR 21 2.120 3.139 -14.004 153 H ILE 22 H ILE 22 1.798 -0.781 -6.702 154 HA ILE 22 HA ILE 22 0.794 -3.402 -5.500 155 HB ILE 22 HB ILE 22 0.915 -0.663 -4.132 156 1HG1 ILE 22 1HG1 ILE 22 3.233 -2.013 -4.825 157 2HG1 ILE 22 2HG1 ILE 22 3.081 -0.943 -3.458 158 1HG2 ILE 22 1HG2 ILE 22 -0.707 -2.276 -3.037 159 2HG2 ILE 22 2HG2 ILE 22 0.573 -3.496 -2.895 160 3HG2 ILE 22 3HG2 ILE 22 0.658 -1.972 -1.976 161 1HD1 ILE 22 1HD1 ILE 22 2.543 -2.898 -1.917 162 2HD1 ILE 22 2HD1 ILE 22 2.898 -4.003 -3.269 163 3HD1 ILE 22 3HD1 ILE 22 4.172 -2.940 -2.637 164 H ASP 23 H ASP 23 -1.270 -3.945 -5.458 165 HA ASP 23 HA ASP 23 -3.295 -2.022 -6.715 166 1HB ASP 23 1HB ASP 23 -4.358 -4.065 -7.713 167 2HB ASP 23 2HB ASP 23 -2.681 -3.877 -8.205 168 H ILE 24 H ILE 24 -5.650 -3.072 -6.321 169 HA ILE 24 HA ILE 24 -6.279 -2.456 -3.438 170 HB ILE 24 HB ILE 24 -7.716 -1.914 -5.631 171 1HG1 ILE 24 1HG1 ILE 24 -9.911 -2.072 -4.070 172 2HG1 ILE 24 2HG1 ILE 24 -8.779 -2.500 -2.816 173 1HG2 ILE 24 1HG2 ILE 24 -8.182 -4.318 -6.300 174 2HG2 ILE 24 2HG2 ILE 24 -8.987 -4.607 -4.745 175 3HG2 ILE 24 3HG2 ILE 24 -9.682 -3.482 -5.939 176 1HD1 ILE 24 1HD1 ILE 24 -7.457 -0.359 -3.208 177 2HD1 ILE 24 2HD1 ILE 24 -8.731 0.171 -4.334 178 3HD1 ILE 24 3HD1 ILE 24 -9.123 -0.109 -2.624 179 H GLU 25 H GLU 25 -6.073 -5.321 -5.486 180 HA GLU 25 HA GLU 25 -7.290 -7.203 -3.493 181 1HB GLU 25 1HB GLU 25 -7.316 -7.361 -6.098 182 2HB GLU 25 2HB GLU 25 -5.731 -8.061 -5.964 183 1HG GLU 25 1HG GLU 25 -7.353 -9.896 -6.160 184 2HG GLU 25 2HG GLU 25 -6.714 -9.967 -4.528 185 H GLU 26 H GLU 26 -4.060 -6.117 -4.230 186 HA GLU 26 HA GLU 26 -2.661 -7.982 -2.344 187 1HB GLU 26 1HB GLU 26 -1.768 -5.477 -3.814 188 2HB GLU 26 2HB GLU 26 -0.767 -6.187 -2.585 189 1HG GLU 26 1HG GLU 26 -0.547 -8.318 -3.918 190 2HG GLU 26 2HG GLU 26 -1.694 -7.737 -5.112 191 H LEU 27 H LEU 27 -4.320 -4.939 -2.037 192 HA LEU 27 HA LEU 27 -2.962 -3.835 0.267 193 1HB LEU 27 1HB LEU 27 -4.355 -2.527 -1.287 194 2HB LEU 27 2HB LEU 27 -5.809 -3.339 -0.769 195 HG LEU 27 HG LEU 27 -5.367 -2.351 1.627 196 1HD1 LEU 27 1HD1 LEU 27 -2.982 -1.711 1.256 197 2HD1 LEU 27 2HD1 LEU 27 -3.457 -0.513 0.020 198 3HD1 LEU 27 3HD1 LEU 27 -3.954 -0.319 1.726 199 1HD2 LEU 27 1HD2 LEU 27 -6.011 -0.373 -0.686 200 2HD2 LEU 27 2HD2 LEU 27 -7.182 -1.444 0.139 201 3HD2 LEU 27 3HD2 LEU 27 -6.396 -0.145 1.043 202 H GLY 28 H GLY 28 -6.336 -5.018 0.535 203 1HA GLY 28 1HA GLY 28 -6.624 -5.381 3.278 204 2HA GLY 28 2HA GLY 28 -7.367 -6.529 2.158 205 H GLU 29 H GLU 29 -5.035 -7.825 1.222 206 HA GLU 29 HA GLU 29 -4.761 -9.800 3.399 207 1HB GLU 29 1HB GLU 29 -5.103 -10.202 0.876 208 2HB GLU 29 2HB GLU 29 -3.393 -9.971 0.676 209 1HG GLU 29 1HG GLU 29 -2.837 -12.060 1.693 210 2HG GLU 29 2HG GLU 29 -4.253 -12.083 2.727 211 H ILE 30 H ILE 30 -2.457 -7.546 1.982 212 HA ILE 30 HA ILE 30 -0.078 -8.123 3.666 213 HB ILE 30 HB ILE 30 -1.115 -5.519 2.443 214 1HG1 ILE 30 1HG1 ILE 30 1.629 -6.528 1.700 215 2HG1 ILE 30 2HG1 ILE 30 0.338 -7.595 1.218 216 1HG2 ILE 30 1HG2 ILE 30 0.124 -4.904 4.551 217 2HG2 ILE 30 2HG2 ILE 30 1.530 -5.868 4.029 218 3HG2 ILE 30 3HG2 ILE 30 1.038 -4.403 3.133 219 1HD1 ILE 30 1HD1 ILE 30 0.438 -4.636 0.324 220 2HD1 ILE 30 2HD1 ILE 30 0.857 -6.071 -0.636 221 3HD1 ILE 30 3HD1 ILE 30 -0.816 -5.831 -0.096 222 H LEU 31 H LEU 31 -2.838 -5.883 4.218 223 HA LEU 31 HA LEU 31 -1.826 -5.070 6.924 224 1HB LEU 31 1HB LEU 31 -3.728 -3.587 7.038 225 2HB LEU 31 2HB LEU 31 -2.979 -3.437 5.467 226 HG LEU 31 HG LEU 31 -4.890 -5.190 4.704 227 1HD1 LEU 31 1HD1 LEU 31 -6.118 -3.879 7.223 228 2HD1 LEU 31 2HD1 LEU 31 -7.030 -4.762 5.970 229 3HD1 LEU 31 3HD1 LEU 31 -5.820 -5.616 6.932 230 1HD2 LEU 31 1HD2 LEU 31 -5.411 -2.173 5.213 231 2HD2 LEU 31 2HD2 LEU 31 -4.743 -2.907 3.729 232 3HD2 LEU 31 3HD2 LEU 31 -6.421 -3.221 4.183 233 H ARG 32 H ARG 32 -3.706 -7.743 5.891 234 HA ARG 32 HA ARG 32 -4.355 -8.370 8.822 235 1HB ARG 32 1HB ARG 32 -6.280 -8.345 7.442 236 2HB ARG 32 2HB ARG 32 -5.482 -9.134 6.082 237 1HG ARG 32 1HG ARG 32 -5.931 -11.276 6.936 238 2HG ARG 32 2HG ARG 32 -5.603 -10.782 8.607 239 1HD ARG 32 1HD ARG 32 -7.921 -9.309 8.146 240 2HD ARG 32 2HD ARG 32 -8.223 -10.681 7.055 241 HE ARG 32 HE ARG 32 -7.232 -11.638 9.694 242 1HH1 ARG 32 2HH1 ARG 32 -10.136 -10.551 8.128 243 2HH1 ARG 32 1HH1 ARG 32 -11.199 -11.444 9.316 244 1HH2 ARG 32 1HH2 ARG 32 -8.461 -12.612 11.025 245 2HH2 ARG 32 2HH2 ARG 32 -10.277 -12.536 10.877 246 H ALA 33 H ALA 33 -3.670 -10.576 6.112 247 HA ALA 33 HA ALA 33 -2.625 -12.700 7.635 248 1HB ALA 33 1HB ALA 33 -3.421 -12.863 5.281 249 2HB ALA 33 2HB ALA 33 -1.964 -12.015 4.694 250 3HB ALA 33 3HB ALA 33 -1.827 -13.619 5.446 251 H THR 34 H THR 34 -0.643 -13.529 8.287 252 HA THR 34 HA THR 34 1.840 -11.860 8.114 253 HB THR 34 HB THR 34 2.753 -13.201 9.771 254 HG1 THR 34 HG1 THR 34 2.771 -15.188 8.867 255 1HG2 THR 34 2HG2 THR 34 0.458 -12.301 10.535 256 2HG2 THR 34 3HG2 THR 34 -0.250 -13.887 10.134 257 3HG2 THR 34 1HG2 THR 34 0.967 -13.764 11.417 258 H GLY 35 H GLY 35 0.866 -12.734 5.531 259 1HA GLY 35 1HA GLY 35 1.141 -14.348 3.661 260 2HA GLY 35 2HA GLY 35 2.791 -13.761 3.903 261 1HN NH2 36 1HN NH2 36 4.432 -15.132 4.756 262 2HN NH2 36 2HN NH2 36 4.165 -16.879 5.003 263 1H ACE 37 1HH3 ACE 37 -17.038 -2.407 13.130 264 2H ACE 37 2HH3 ACE 37 -17.293 -2.821 11.400 265 3H ACE 37 3HH3 ACE 37 -17.471 -4.072 12.657 266 H VAL 38 H VAL 38 -15.056 -1.814 11.325 267 HA VAL 38 HA VAL 38 -12.709 -2.058 10.841 268 HB VAL 38 HB VAL 38 -12.503 -3.767 13.371 269 1HG1 VAL 38 1HG1 VAL 38 -10.464 -1.917 11.933 270 2HG1 VAL 38 2HG1 VAL 38 -10.176 -2.684 13.512 271 3HG1 VAL 38 3HG1 VAL 38 -10.378 -3.683 12.069 272 1HG2 VAL 38 1HG2 VAL 38 -13.697 -1.625 14.008 273 2HG2 VAL 38 2HG2 VAL 38 -12.043 -1.641 14.658 274 3HG2 VAL 38 3HG2 VAL 38 -12.424 -0.674 13.212 275 H THR 39 H THR 39 -13.194 -3.240 8.954 276 HA THR 39 HA THR 39 -12.609 -6.192 8.979 277 HB THR 39 HB THR 39 -15.190 -5.370 7.550 278 HG1 THR 39 HG1 THR 39 -15.966 -5.212 9.479 279 1HG2 THR 39 2HG2 THR 39 -14.063 -8.088 8.529 280 2HG2 THR 39 3HG2 THR 39 -15.624 -7.860 7.701 281 3HG2 THR 39 1HG2 THR 39 -14.106 -7.523 6.842 282 H GLU 40 H GLU 40 -13.839 -6.108 6.065 283 HA GLU 40 HA GLU 40 -11.715 -4.668 4.607 284 1HB GLU 40 1HB GLU 40 -13.006 -6.739 3.853 285 2HB GLU 40 2HB GLU 40 -14.325 -5.702 3.405 286 1HG GLU 40 1HG GLU 40 -12.938 -6.303 1.408 287 2HG GLU 40 2HG GLU 40 -12.903 -4.566 1.649 288 H GLU 41 H GLU 41 -14.911 -3.670 5.614 289 HA GLU 41 HA GLU 41 -15.301 -1.488 3.786 290 1HB GLU 41 1HB GLU 41 -16.558 -2.073 6.491 291 2HB GLU 41 2HB GLU 41 -17.024 -0.672 5.576 292 1HG GLU 41 1HG GLU 41 -17.365 -2.697 3.635 293 2HG GLU 41 2HG GLU 41 -17.732 -3.574 5.109 294 H ASP 42 H ASP 42 -13.915 -1.277 7.047 295 HA ASP 42 HA ASP 42 -13.202 1.595 7.083 296 1HB ASP 42 1HB ASP 42 -12.267 -0.918 8.542 297 2HB ASP 42 2HB ASP 42 -11.279 0.531 8.663 298 H ILE 43 H ILE 43 -11.563 -1.245 5.713 299 HA ILE 43 HA ILE 43 -9.012 0.137 4.948 300 HB ILE 43 HB ILE 43 -10.235 -2.543 4.169 301 1HG1 ILE 43 1HG1 ILE 43 -7.886 -3.371 5.015 302 2HG1 ILE 43 2HG1 ILE 43 -7.646 -1.766 5.652 303 1HG2 ILE 43 1HG2 ILE 43 -9.161 -1.698 2.045 304 2HG2 ILE 43 2HG2 ILE 43 -7.653 -1.350 2.914 305 3HG2 ILE 43 3HG2 ILE 43 -8.215 -3.027 2.700 306 1HD1 ILE 43 1HD1 ILE 43 -9.701 -1.954 7.117 307 2HD1 ILE 43 2HD1 ILE 43 -9.888 -3.652 6.602 308 3HD1 ILE 43 3HD1 ILE 43 -8.433 -3.144 7.488 309 H GLU 44 H GLU 44 -12.027 -0.690 3.143 310 HA GLU 44 HA GLU 44 -10.847 0.156 0.521 311 1HB GLU 44 1HB GLU 44 -13.322 -1.221 1.410 312 2HB GLU 44 2HB GLU 44 -13.576 -0.168 0.051 313 1HG GLU 44 1HG GLU 44 -11.180 -1.827 -0.485 314 2HG GLU 44 2HG GLU 44 -12.495 -2.866 0.033 315 H ASP 45 H ASP 45 -12.947 1.627 2.909 316 HA ASP 45 HA ASP 45 -13.572 4.105 1.327 317 1HB ASP 45 1HB ASP 45 -14.008 3.268 4.252 318 2HB ASP 45 2HB ASP 45 -14.361 4.902 3.708 319 H LEU 46 H LEU 46 -11.168 3.198 3.771 320 HA LEU 46 HA LEU 46 -9.659 5.744 3.883 321 1HB LEU 46 1HB LEU 46 -9.413 3.854 5.481 322 2HB LEU 46 2HB LEU 46 -8.701 2.842 4.247 323 HG LEU 46 HG LEU 46 -7.266 5.467 4.818 324 1HD1 LEU 46 1HD1 LEU 46 -8.065 4.097 7.049 325 2HD1 LEU 46 2HD1 LEU 46 -6.541 3.227 6.708 326 3HD1 LEU 46 3HD1 LEU 46 -6.548 5.000 6.932 327 1HD2 LEU 46 1HD2 LEU 46 -6.446 2.627 3.977 328 2HD2 LEU 46 2HD2 LEU 46 -6.036 4.205 3.242 329 3HD2 LEU 46 3HD2 LEU 46 -5.270 3.724 4.758 330 H MET 47 H MET 47 -8.988 2.927 1.770 331 HA MET 47 HA MET 47 -6.978 4.134 0.130 332 1HB MET 47 1HB MET 47 -7.405 1.745 0.014 333 2HB MET 47 2HB MET 47 -9.049 1.982 -0.555 334 1HG MET 47 1HG MET 47 -8.307 1.791 -2.708 335 2HG MET 47 2HG MET 47 -7.461 3.337 -2.520 336 1HE MET 47 1HE MET 47 -5.924 2.479 -4.401 337 2HE MET 47 2HE MET 47 -5.123 3.510 -3.180 338 3HE MET 47 3HE MET 47 -4.279 2.065 -3.808 339 H LYS 48 H LYS 48 -10.510 4.322 -0.315 340 HA LYS 48 HA LYS 48 -10.438 6.018 -2.771 341 1HB LYS 48 1HB LYS 48 -12.462 4.848 -0.906 342 2HB LYS 48 2HB LYS 48 -13.005 6.335 -1.620 343 1HG LYS 48 1HG LYS 48 -13.733 4.240 -2.909 344 2HG LYS 48 2HG LYS 48 -12.880 5.385 -3.895 345 1HD LYS 48 1HD LYS 48 -10.682 4.020 -3.357 346 2HD LYS 48 2HD LYS 48 -11.708 2.721 -2.846 347 1HE LYS 48 1HE LYS 48 -11.129 3.769 -5.642 348 2HE LYS 48 2HE LYS 48 -11.428 2.123 -5.109 349 1HZ LYS 48 1HZ LYS 48 -13.939 3.001 -4.742 350 2HZ LYS 48 2HZ LYS 48 -13.518 4.114 -5.894 351 3HZ LYS 48 3HZ LYS 48 -13.450 2.506 -6.166 352 H ASP 49 H ASP 49 -10.161 6.674 0.626 353 HA ASP 49 HA ASP 49 -10.872 9.607 0.520 354 1HB ASP 49 1HB ASP 49 -11.107 8.187 2.627 355 2HB ASP 49 2HB ASP 49 -9.356 8.079 2.731 356 H SER 50 H SER 50 -7.859 7.713 0.521 357 HA SER 50 HA SER 50 -6.167 10.179 0.331 358 1HB SER 50 1HB SER 50 -4.424 8.842 1.116 359 2HB SER 50 2HB SER 50 -5.786 7.897 1.709 360 HG SER 50 HG SER 50 -5.588 6.805 -0.482 361 H ASP 51 H ASP 51 -7.086 7.568 -1.848 362 HA ASP 51 HA ASP 51 -5.074 7.977 -3.903 363 1HB ASP 51 1HB ASP 51 -6.505 5.897 -3.489 364 2HB ASP 51 2HB ASP 51 -7.865 6.706 -4.254 365 H LYS 52 H LYS 52 -4.848 10.134 -4.496 366 HA LYS 52 HA LYS 52 -7.055 12.090 -4.879 367 1HB LYS 52 1HB LYS 52 -4.152 12.128 -5.866 368 2HB LYS 52 2HB LYS 52 -5.186 13.523 -5.862 369 1HG LYS 52 1HG LYS 52 -3.715 12.153 -3.556 370 2HG LYS 52 2HG LYS 52 -3.871 13.845 -3.907 371 1HD LYS 52 1HD LYS 52 -6.246 13.902 -3.132 372 2HD LYS 52 2HD LYS 52 -6.244 12.213 -2.746 373 1HE LYS 52 1HE LYS 52 -5.883 13.311 -0.610 374 2HE LYS 52 2HE LYS 52 -4.272 12.749 -1.050 375 1HZ LYS 52 1HZ LYS 52 -4.209 15.235 -2.241 376 2HZ LYS 52 2HZ LYS 52 -5.265 15.551 -1.037 377 3HZ LYS 52 3HZ LYS 52 -3.813 15.057 -0.642 378 H ASN 53 H ASN 53 -4.878 10.588 -7.298 379 HA ASN 53 HA ASN 53 -6.047 11.794 -9.581 380 1HB ASN 53 1HB ASN 53 -4.784 10.052 -10.939 381 2HB ASN 53 2HB ASN 53 -3.823 10.786 -9.685 382 1HD2 ASN 53 1HD2 ASN 53 -3.568 6.963 -9.744 383 2HD2 ASN 53 2HD2 ASN 53 -3.638 8.171 -11.104 384 H ASN 54 H ASN 54 -7.336 8.997 -7.956 385 HA ASN 54 HA ASN 54 -8.939 7.286 -8.551 386 1HB ASN 54 1HB ASN 54 -10.024 9.931 -9.711 387 2HB ASN 54 2HB ASN 54 -10.949 8.463 -9.863 388 1HD2 ASN 54 1HD2 ASN 54 -11.902 8.487 -6.413 389 2HD2 ASN 54 2HD2 ASN 54 -11.697 7.430 -7.881 390 H ASP 55 H ASP 55 -6.749 7.063 -10.216 391 HA ASP 55 HA ASP 55 -7.935 6.051 -12.847 392 1HB ASP 55 1HB ASP 55 -5.863 7.019 -13.384 393 2HB ASP 55 2HB ASP 55 -5.100 6.567 -11.865 394 H GLY 56 H GLY 56 -6.167 4.792 -10.004 395 1HA GLY 56 1HA GLY 56 -8.027 2.963 -9.074 396 2HA GLY 56 2HA GLY 56 -7.259 1.980 -10.330 397 H ARG 57 H ARG 57 -4.598 2.602 -10.026 398 HA ARG 57 HA ARG 57 -4.081 0.925 -7.519 399 1HB ARG 57 1HB ARG 57 -2.947 0.820 -10.370 400 2HB ARG 57 2HB ARG 57 -2.208 -0.071 -9.040 401 1HG ARG 57 1HG ARG 57 -3.671 -1.769 -9.587 402 2HG ARG 57 2HG ARG 57 -4.906 -0.825 -8.757 403 1HD ARG 57 1HD ARG 57 -5.815 0.048 -10.827 404 2HD ARG 57 2HD ARG 57 -4.308 -0.215 -11.702 405 HE ARG 57 HE ARG 57 -4.990 -2.862 -10.803 406 1HH1 ARG 57 2HH1 ARG 57 -6.575 -0.569 -12.862 407 2HH1 ARG 57 1HH1 ARG 57 -7.480 -1.910 -13.740 408 1HH2 ARG 57 1HH2 ARG 57 -5.923 -4.288 -11.833 409 2HH2 ARG 57 2HH2 ARG 57 -7.118 -3.932 -13.174 410 H ILE 58 H ILE 58 -1.826 0.785 -6.755 411 HA ILE 58 HA ILE 58 -0.640 3.569 -6.457 412 HB ILE 58 HB ILE 58 -0.551 1.115 -4.635 413 1HG1 ILE 58 1HG1 ILE 58 -1.789 3.922 -4.229 414 2HG1 ILE 58 2HG1 ILE 58 -2.675 2.452 -4.522 415 1HG2 ILE 58 1HG2 ILE 58 1.696 2.272 -4.467 416 2HG2 ILE 58 2HG2 ILE 58 0.894 3.820 -4.134 417 3HG2 ILE 58 3HG2 ILE 58 0.785 2.475 -2.975 418 1HD1 ILE 58 1HD1 ILE 58 -1.864 1.436 -2.345 419 2HD1 ILE 58 2HD1 ILE 58 -1.060 2.979 -1.955 420 3HD1 ILE 58 3HD1 ILE 58 -2.827 2.920 -2.139 421 H ASP 59 H ASP 59 1.472 4.057 -6.887 422 HA ASP 59 HA ASP 59 3.361 1.887 -7.844 423 1HB ASP 59 1HB ASP 59 4.658 3.743 -8.842 424 2HB ASP 59 2HB ASP 59 2.963 3.873 -9.289 425 H PHE 60 H PHE 60 5.834 2.768 -7.322 426 HA PHE 60 HA PHE 60 6.448 2.286 -4.519 427 1HB PHE 60 1HB PHE 60 7.990 2.145 -6.637 428 2HB PHE 60 2HB PHE 60 8.274 3.842 -6.438 429 HD1 PHE 60 HD1 PHE 60 8.926 0.526 -4.823 430 HD2 PHE 60 HD2 PHE 60 9.753 4.741 -4.736 431 HE1 PHE 60 HE1 PHE 60 10.769 0.141 -3.226 432 HE2 PHE 60 HE2 PHE 60 11.616 4.344 -3.188 433 HZ PHE 60 HZ PHE 60 12.142 2.047 -2.436 434 H ASP 61 H ASP 61 5.729 5.342 -6.114 435 HA ASP 61 HA ASP 61 6.735 7.293 -4.112 436 1HB ASP 61 1HB ASP 61 6.095 8.335 -6.155 437 2HB ASP 61 2HB ASP 61 4.762 7.235 -6.445 438 H GLU 62 H GLU 62 3.381 6.854 -4.833 439 HA GLU 62 HA GLU 62 1.938 7.273 -2.394 440 1HB GLU 62 1HB GLU 62 1.347 5.134 -4.489 441 2HB GLU 62 2HB GLU 62 0.236 5.617 -3.244 442 1HG GLU 62 1HG GLU 62 0.123 7.968 -4.234 443 2HG GLU 62 2HG GLU 62 1.286 7.517 -5.468 444 H PHE 63 H PHE 63 4.061 4.501 -2.983 445 HA PHE 63 HA PHE 63 3.050 2.763 -0.741 446 1HB PHE 63 1HB PHE 63 4.418 2.001 -2.792 447 2HB PHE 63 2HB PHE 63 5.807 2.773 -2.107 448 HD1 PHE 63 HD1 PHE 63 3.350 0.020 -1.165 449 HD2 PHE 63 HD2 PHE 63 7.329 1.615 -0.788 450 HE1 PHE 63 HE1 PHE 63 4.050 -1.974 0.091 451 HE2 PHE 63 HE2 PHE 63 8.021 -0.403 0.389 452 HZ PHE 63 HZ PHE 63 6.374 -2.173 0.919 453 H LEU 64 H LEU 64 5.916 4.856 -1.126 454 HA LEU 64 HA LEU 64 6.825 5.064 1.602 455 1HB LEU 64 1HB LEU 64 6.919 7.111 -0.671 456 2HB LEU 64 2HB LEU 64 7.724 7.396 0.851 457 HG LEU 64 HG LEU 64 8.344 4.862 -0.765 458 1HD1 LEU 64 1HD1 LEU 64 9.553 7.681 -1.203 459 2HD1 LEU 64 2HD1 LEU 64 10.243 6.166 -1.843 460 3HD1 LEU 64 3HD1 LEU 64 8.637 6.683 -2.364 461 1HD2 LEU 64 1HD2 LEU 64 10.005 6.525 1.270 462 2HD2 LEU 64 2HD2 LEU 64 9.335 4.886 1.516 463 3HD2 LEU 64 3HD2 LEU 64 10.629 5.142 0.336 464 H LYS 65 H LYS 65 4.480 7.325 0.060 465 HA LYS 65 HA LYS 65 3.594 8.704 2.452 466 1HB LYS 65 1HB LYS 65 1.951 7.933 -0.024 467 2HB LYS 65 2HB LYS 65 1.689 9.346 0.979 468 1HG LYS 65 1HG LYS 65 4.022 10.193 0.120 469 2HG LYS 65 2HG LYS 65 4.040 8.782 -0.955 470 1HD LYS 65 1HD LYS 65 2.393 9.563 -2.341 471 2HD LYS 65 2HD LYS 65 1.426 10.280 -1.049 472 1HE LYS 65 1HE LYS 65 3.633 11.478 -2.809 473 2HE LYS 65 2HE LYS 65 2.068 12.166 -2.339 474 1HZ LYS 65 1HZ LYS 65 4.284 11.729 -0.306 475 2HZ LYS 65 2HZ LYS 65 4.129 13.140 -1.061 476 3HZ LYS 65 3HZ LYS 65 2.940 12.613 -0.048 477 H MET 66 H MET 66 2.518 5.576 1.139 478 HA MET 66 HA MET 66 0.306 5.164 2.992 479 1HB MET 66 1HB MET 66 0.724 4.101 0.666 480 2HB MET 66 2HB MET 66 1.828 2.988 1.445 481 1HG MET 66 1HG MET 66 -0.378 2.573 3.072 482 2HG MET 66 2HG MET 66 -1.185 2.975 1.544 483 1HE MET 66 1HE MET 66 0.844 2.126 -0.674 484 2HE MET 66 2HE MET 66 0.293 0.458 -1.013 485 3HE MET 66 3HE MET 66 -0.907 1.749 -0.704 486 H MET 67 H MET 67 3.677 4.102 3.244 487 HA MET 67 HA MET 67 3.182 2.538 5.789 488 1HB MET 67 1HB MET 67 4.811 1.821 3.892 489 2HB MET 67 2HB MET 67 5.863 3.129 4.394 490 1HG MET 67 1HG MET 67 6.659 2.031 6.263 491 2HG MET 67 2HG MET 67 5.087 1.320 6.677 492 1HE MET 67 1HE MET 67 4.672 -0.819 6.687 493 2HE MET 67 2HE MET 67 4.063 -1.002 5.014 494 3HE MET 67 3HE MET 67 5.284 -2.149 5.656 495 H GLU 68 H GLU 68 4.653 5.706 4.924 496 HA GLU 68 HA GLU 68 4.993 6.533 7.703 497 1HB GLU 68 1HB GLU 68 4.619 8.087 5.124 498 2HB GLU 68 2HB GLU 68 4.673 8.926 6.644 499 1HG GLU 68 1HG GLU 68 7.024 8.063 7.072 500 2HG GLU 68 2HG GLU 68 6.973 7.120 5.594 501 H GLY 69 H GLY 69 2.185 7.552 5.646 502 1HA GLY 69 1HA GLY 69 -0.062 8.137 6.432 503 2HA GLY 69 2HA GLY 69 0.448 7.782 8.087 504 H VAL 70 H VAL 70 1.498 10.223 5.670 505 HA VAL 70 HA VAL 70 1.527 12.354 7.887 506 HB VAL 70 HB VAL 70 3.004 12.414 5.197 507 1HG1 VAL 70 1HG1 VAL 70 3.078 14.437 7.551 508 2HG1 VAL 70 2HG1 VAL 70 4.168 14.469 6.141 509 3HG1 VAL 70 3HG1 VAL 70 2.439 14.745 5.918 510 1HG2 VAL 70 1HG2 VAL 70 4.098 10.813 6.820 511 2HG2 VAL 70 2HG2 VAL 70 5.116 12.216 6.534 512 3HG2 VAL 70 3HG2 VAL 70 4.186 12.086 8.057 513 H GLN 71 H GLN 71 -0.588 12.907 7.901 514 HA GLN 71 HA GLN 71 -1.333 14.880 5.776 515 1HB GLN 71 1HB GLN 71 -2.958 13.773 4.718 516 2HB GLN 71 2HB GLN 71 -2.488 12.317 5.593 517 1HG GLN 71 1HG GLN 71 -4.114 13.175 7.506 518 2HG GLN 71 2HG GLN 71 -4.731 14.334 6.343 519 1HE2 GLN 71 1HE2 GLN 71 -6.885 11.292 6.287 520 2HE2 GLN 71 2HE2 GLN 71 -6.359 12.567 7.519 521 1HN NH2 72 1HN NH2 72 -2.841 16.573 6.491 522 2HN NH2 72 2HN NH2 72 -3.149 16.822 8.230 No H/Q in entry = 522 Start of MODEL 32 1 1H ACE 1 1HH3 ACE 1 16.049 10.885 3.162 2 2H ACE 1 2HH3 ACE 1 16.809 12.204 2.201 3 3H ACE 1 3HH3 ACE 1 15.057 11.879 2.072 4 H LYS 2 H LYS 2 18.208 10.287 1.521 5 HA LYS 2 HA LYS 2 17.168 9.029 -0.991 6 1HB LYS 2 1HB LYS 2 19.720 8.135 -0.933 7 2HB LYS 2 2HB LYS 2 19.281 9.703 -1.573 8 1HG LYS 2 1HG LYS 2 20.161 10.843 0.444 9 2HG LYS 2 2HG LYS 2 20.028 9.400 1.415 10 1HD LYS 2 1HD LYS 2 21.918 9.111 -0.925 11 2HD LYS 2 2HD LYS 2 22.395 10.363 0.224 12 1HE LYS 2 1HE LYS 2 21.492 7.664 1.348 13 2HE LYS 2 2HE LYS 2 23.110 7.742 0.628 14 1HZ LYS 2 1HZ LYS 2 23.178 10.008 2.120 15 2HZ LYS 2 2HZ LYS 2 22.115 9.309 3.032 16 3HZ LYS 2 3HZ LYS 2 23.614 8.620 2.826 17 H SER 3 H SER 3 16.176 7.951 1.612 18 HA SER 3 HA SER 3 16.886 5.047 1.360 19 1HB SER 3 1HB SER 3 15.191 4.770 3.155 20 2HB SER 3 2HB SER 3 16.379 5.984 3.565 21 HG SER 3 HG SER 3 14.940 7.585 3.276 22 H GLU 4 H GLU 4 16.440 4.855 -0.925 23 HA GLU 4 HA GLU 4 13.518 4.156 -1.479 24 1HB GLU 4 1HB GLU 4 15.258 4.440 -3.885 25 2HB GLU 4 2HB GLU 4 13.531 4.566 -3.654 26 1HG GLU 4 1HG GLU 4 15.342 6.800 -2.553 27 2HG GLU 4 2HG GLU 4 14.981 6.748 -4.275 28 H GLU 5 H GLU 5 16.696 2.968 -1.108 29 HA GLU 5 HA GLU 5 16.563 0.654 -2.823 30 1HB GLU 5 1HB GLU 5 18.690 1.407 -2.385 31 2HB GLU 5 2HB GLU 5 18.453 1.574 -0.672 32 1HG GLU 5 1HG GLU 5 18.694 -1.199 -2.038 33 2HG GLU 5 2HG GLU 5 20.085 -0.311 -1.444 34 H GLU 6 H GLU 6 16.102 0.679 0.718 35 HA GLU 6 HA GLU 6 15.425 -2.228 0.802 36 1HB GLU 6 1HB GLU 6 15.876 -0.075 2.831 37 2HB GLU 6 2HB GLU 6 14.821 -1.360 3.337 38 1HG GLU 6 1HG GLU 6 16.754 -3.038 2.682 39 2HG GLU 6 2HG GLU 6 17.788 -1.635 2.493 40 H LEU 7 H LEU 7 13.429 0.734 1.153 41 HA LEU 7 HA LEU 7 10.825 -0.657 0.923 42 1HB LEU 7 1HB LEU 7 11.669 2.184 0.134 43 2HB LEU 7 2HB LEU 7 10.019 1.619 0.034 44 HG LEU 7 HG LEU 7 11.176 2.908 2.227 45 1HD1 LEU 7 1HD1 LEU 7 8.758 2.844 1.646 46 2HD1 LEU 7 2HD1 LEU 7 8.633 1.145 2.168 47 3HD1 LEU 7 3HD1 LEU 7 8.990 2.430 3.351 48 1HD2 LEU 7 1HD2 LEU 7 10.892 -0.101 2.961 49 2HD2 LEU 7 2HD2 LEU 7 12.378 0.884 3.045 50 3HD2 LEU 7 3HD2 LEU 7 11.035 1.234 4.136 51 H ALA 8 H ALA 8 13.253 0.116 -1.528 52 HA ALA 8 HA ALA 8 11.786 -0.732 -3.862 53 1HB ALA 8 1HB ALA 8 14.792 -1.004 -3.178 54 2HB ALA 8 2HB ALA 8 14.097 -1.150 -4.805 55 3HB ALA 8 3HB ALA 8 13.989 0.389 -3.941 56 H ASN 9 H ASN 9 14.320 -3.014 -2.715 57 HA ASN 9 HA ASN 9 13.341 -5.541 -2.996 58 1HB ASN 9 1HB ASN 9 14.303 -4.426 -0.269 59 2HB ASN 9 2HB ASN 9 14.177 -6.124 -0.637 60 1HD2 ASN 9 1HD2 ASN 9 17.192 -6.110 -2.583 61 2HD2 ASN 9 2HD2 ASN 9 15.635 -7.001 -2.271 62 H ALA 10 H ALA 10 11.984 -3.523 -0.365 63 HA ALA 10 HA ALA 10 9.974 -5.504 0.545 64 1HB ALA 10 1HB ALA 10 11.004 -3.737 1.990 65 2HB ALA 10 2HB ALA 10 10.179 -2.456 1.064 66 3HB ALA 10 3HB ALA 10 9.233 -3.622 2.015 67 H PHE 11 H PHE 11 9.607 -2.578 -1.517 68 HA PHE 11 HA PHE 11 6.812 -2.889 -2.196 69 1HB PHE 11 1HB PHE 11 8.157 -0.850 -2.628 70 2HB PHE 11 2HB PHE 11 9.116 -1.675 -3.810 71 HD1 PHE 11 HD1 PHE 11 5.381 -1.029 -3.303 72 HD2 PHE 11 HD2 PHE 11 8.680 -1.222 -6.058 73 HE1 PHE 11 HE1 PHE 11 3.933 -0.196 -5.114 74 HE2 PHE 11 HE2 PHE 11 7.215 -0.395 -7.854 75 HZ PHE 11 HZ PHE 11 4.850 0.115 -7.392 76 H ARG 12 H ARG 12 9.620 -4.281 -3.912 77 HA ARG 12 HA ARG 12 8.047 -5.806 -5.867 78 1HB ARG 12 1HB ARG 12 10.439 -5.169 -6.191 79 2HB ARG 12 2HB ARG 12 10.938 -6.263 -4.906 80 1HG ARG 12 1HG ARG 12 9.271 -7.657 -6.963 81 2HG ARG 12 2HG ARG 12 10.669 -6.867 -7.703 82 1HD ARG 12 1HD ARG 12 12.095 -8.013 -5.768 83 2HD ARG 12 2HD ARG 12 10.657 -9.041 -5.522 84 HE ARG 12 HE ARG 12 10.863 -9.407 -8.206 85 1HH1 ARG 12 2HH1 ARG 12 13.532 -9.207 -6.006 86 2HH1 ARG 12 1HH1 ARG 12 14.581 -10.278 -7.054 87 1HH2 ARG 12 1HH2 ARG 12 12.048 -10.600 -9.363 88 2HH2 ARG 12 2HH2 ARG 12 13.752 -11.033 -8.874 89 H ILE 13 H ILE 13 9.229 -6.661 -2.644 90 HA ILE 13 HA ILE 13 8.746 -9.589 -2.948 91 HB ILE 13 HB ILE 13 9.686 -7.877 -0.596 92 1HG1 ILE 13 1HG1 ILE 13 11.401 -8.326 -2.414 93 2HG1 ILE 13 2HG1 ILE 13 11.861 -8.923 -0.843 94 1HG2 ILE 13 1HG2 ILE 13 8.390 -9.797 0.411 95 2HG2 ILE 13 2HG2 ILE 13 9.320 -10.965 -0.559 96 3HG2 ILE 13 3HG2 ILE 13 10.103 -10.015 0.719 97 1HD1 ILE 13 1HD1 ILE 13 11.227 -11.284 -1.443 98 2HD1 ILE 13 2HD1 ILE 13 10.805 -10.746 -3.087 99 3HD1 ILE 13 3HD1 ILE 13 12.478 -10.609 -2.511 100 H PHE 14 H PHE 14 7.032 -6.906 -1.466 101 HA PHE 14 HA PHE 14 4.684 -8.235 -0.248 102 1HB PHE 14 1HB PHE 14 5.121 -5.566 -1.713 103 2HB PHE 14 2HB PHE 14 3.514 -6.078 -1.315 104 HD1 PHE 14 HD1 PHE 14 5.694 -7.301 1.251 105 HD2 PHE 14 HD2 PHE 14 3.727 -3.723 -0.083 106 HE1 PHE 14 HE1 PHE 14 5.942 -6.321 3.498 107 HE2 PHE 14 HE2 PHE 14 3.999 -2.740 2.159 108 HZ PHE 14 HZ PHE 14 5.132 -4.018 3.944 109 H ASP 15 H ASP 15 5.059 -6.963 -3.584 110 HA ASP 15 HA ASP 15 2.485 -7.952 -4.459 111 1HB ASP 15 1HB ASP 15 3.616 -5.940 -5.373 112 2HB ASP 15 2HB ASP 15 4.886 -6.915 -6.095 113 H LYS 16 H LYS 16 1.860 -9.531 -6.042 114 HA LYS 16 HA LYS 16 3.163 -12.149 -5.286 115 1HB LYS 16 1HB LYS 16 0.929 -12.686 -7.003 116 2HB LYS 16 2HB LYS 16 1.076 -13.004 -5.298 117 1HG LYS 16 1HG LYS 16 0.376 -10.170 -5.617 118 2HG LYS 16 2HG LYS 16 -0.608 -11.079 -6.757 119 1HD LYS 16 1HD LYS 16 -0.850 -12.645 -4.421 120 2HD LYS 16 2HD LYS 16 -0.700 -11.014 -3.772 121 1HE LYS 16 1HE LYS 16 -2.912 -10.722 -4.028 122 2HE LYS 16 2HE LYS 16 -2.637 -10.584 -5.777 123 1HZ LYS 16 1HZ LYS 16 -2.576 -13.304 -5.519 124 2HZ LYS 16 2HZ LYS 16 -3.467 -12.992 -4.193 125 3HZ LYS 16 3HZ LYS 16 -4.041 -12.555 -5.669 126 H ASN 17 H ASN 17 1.908 -10.726 -8.331 127 HA ASN 17 HA ASN 17 3.600 -12.596 -9.929 128 1HB ASN 17 1HB ASN 17 2.205 -11.730 -11.884 129 2HB ASN 17 2HB ASN 17 1.347 -12.557 -10.612 130 1HD2 ASN 17 1HD2 ASN 17 -0.529 -9.564 -9.815 131 2HD2 ASN 17 2HD2 ASN 17 0.021 -11.129 -9.132 132 H ALA 18 H ALA 18 3.600 -9.150 -9.349 133 HA ALA 18 HA ALA 18 5.426 -7.603 -9.547 134 1HB ALA 18 1HB ALA 18 6.695 -9.708 -8.976 135 2HB ALA 18 2HB ALA 18 6.831 -10.089 -10.707 136 3HB ALA 18 3HB ALA 18 7.637 -8.649 -10.061 137 H ASP 19 H ASP 19 3.561 -7.386 -11.665 138 HA ASP 19 HA ASP 19 5.269 -6.227 -13.890 139 1HB ASP 19 1HB ASP 19 3.229 -5.611 -14.956 140 2HB ASP 19 2HB ASP 19 2.859 -7.152 -14.195 141 H GLY 20 H GLY 20 4.996 -5.442 -10.733 142 1HA GLY 20 1HA GLY 20 6.398 -3.651 -9.827 143 2HA GLY 20 2HA GLY 20 6.215 -2.766 -11.347 144 H TYR 21 H TYR 21 3.143 -3.577 -10.304 145 HA TYR 21 HA TYR 21 2.725 -0.904 -8.824 146 1HB TYR 21 1HB TYR 21 0.544 -2.541 -10.260 147 2HB TYR 21 2HB TYR 21 0.361 -0.977 -9.518 148 HD1 TYR 21 HD1 TYR 21 3.431 -1.553 -11.557 149 HD2 TYR 21 HD2 TYR 21 -0.615 -0.096 -11.593 150 HE1 TYR 21 HE1 TYR 21 3.819 -0.469 -13.745 151 HE2 TYR 21 HE2 TYR 21 -0.207 0.957 -13.780 152 HH TYR 21 HH TYR 21 1.687 0.379 -15.787 153 H ILE 22 H ILE 22 1.277 -0.872 -7.040 154 HA ILE 22 HA ILE 22 0.497 -3.545 -5.750 155 HB ILE 22 HB ILE 22 0.089 -0.823 -4.430 156 1HG1 ILE 22 1HG1 ILE 22 2.557 -0.969 -4.873 157 2HG1 ILE 22 2HG1 ILE 22 2.184 -1.018 -3.172 158 1HG2 ILE 22 1HG2 ILE 22 -1.153 -2.777 -3.397 159 2HG2 ILE 22 2HG2 ILE 22 0.368 -3.669 -3.208 160 3HG2 ILE 22 3HG2 ILE 22 0.064 -2.175 -2.285 161 1HD1 ILE 22 1HD1 ILE 22 2.449 -3.552 -3.130 162 2HD1 ILE 22 2HD1 ILE 22 3.025 -3.474 -4.815 163 3HD1 ILE 22 3HD1 ILE 22 3.933 -2.651 -3.530 164 H ASP 23 H ASP 23 -1.435 -4.311 -6.111 165 HA ASP 23 HA ASP 23 -3.702 -2.521 -7.110 166 1HB ASP 23 1HB ASP 23 -4.704 -4.544 -8.056 167 2HB ASP 23 2HB ASP 23 -3.011 -4.486 -8.528 168 H ILE 24 H ILE 24 -5.939 -3.264 -6.410 169 HA ILE 24 HA ILE 24 -6.203 -2.741 -3.459 170 HB ILE 24 HB ILE 24 -7.852 -2.052 -5.440 171 1HG1 ILE 24 1HG1 ILE 24 -8.429 -1.099 -3.349 172 2HG1 ILE 24 2HG1 ILE 24 -9.847 -2.032 -3.745 173 1HG2 ILE 24 1HG2 ILE 24 -8.497 -4.400 -6.155 174 2HG2 ILE 24 2HG2 ILE 24 -9.143 -4.730 -4.536 175 3HG2 ILE 24 3HG2 ILE 24 -9.910 -3.521 -5.597 176 1HD1 ILE 24 1HD1 ILE 24 -9.067 -3.944 -2.254 177 2HD1 ILE 24 2HD1 ILE 24 -7.735 -2.905 -1.690 178 3HD1 ILE 24 3HD1 ILE 24 -9.419 -2.423 -1.392 179 H GLU 25 H GLU 25 -6.117 -5.544 -5.530 180 HA GLU 25 HA GLU 25 -7.375 -7.436 -3.572 181 1HB GLU 25 1HB GLU 25 -5.902 -8.575 -5.904 182 2HB GLU 25 2HB GLU 25 -7.432 -9.023 -5.216 183 1HG GLU 25 1HG GLU 25 -7.575 -6.336 -6.554 184 2HG GLU 25 2HG GLU 25 -7.031 -7.592 -7.650 185 H GLU 26 H GLU 26 -4.138 -6.412 -4.272 186 HA GLU 26 HA GLU 26 -2.685 -8.597 -2.820 187 1HB GLU 26 1HB GLU 26 -0.742 -7.599 -3.382 188 2HB GLU 26 2HB GLU 26 -1.749 -7.013 -4.672 189 1HG GLU 26 1HG GLU 26 -0.679 -4.998 -4.140 190 2HG GLU 26 2HG GLU 26 -2.011 -4.829 -3.011 191 H LEU 27 H LEU 27 -3.768 -5.325 -1.991 192 HA LEU 27 HA LEU 27 -2.401 -4.882 0.473 193 1HB LEU 27 1HB LEU 27 -3.610 -3.141 -0.749 194 2HB LEU 27 2HB LEU 27 -5.156 -3.886 -0.438 195 HG LEU 27 HG LEU 27 -4.796 -1.858 0.975 196 1HD1 LEU 27 1HD1 LEU 27 -6.330 -3.660 1.771 197 2HD1 LEU 27 2HD1 LEU 27 -4.995 -4.458 2.649 198 3HD1 LEU 27 3HD1 LEU 27 -5.560 -2.830 3.121 199 1HD2 LEU 27 1HD2 LEU 27 -2.545 -3.475 2.386 200 2HD2 LEU 27 2HD2 LEU 27 -2.318 -2.012 1.382 201 3HD2 LEU 27 3HD2 LEU 27 -3.205 -1.900 2.906 202 H GLY 28 H GLY 28 -5.766 -6.100 0.325 203 1HA GLY 28 1HA GLY 28 -6.360 -6.702 3.099 204 2HA GLY 28 2HA GLY 28 -6.947 -7.662 1.736 205 H GLU 29 H GLU 29 -4.583 -8.769 0.772 206 HA GLU 29 HA GLU 29 -4.085 -10.921 2.727 207 1HB GLU 29 1HB GLU 29 -2.989 -10.466 -0.079 208 2HB GLU 29 2HB GLU 29 -2.560 -11.855 0.872 209 1HG GLU 29 1HG GLU 29 -5.362 -12.049 0.972 210 2HG GLU 29 2HG GLU 29 -5.153 -11.267 -0.584 211 H ILE 30 H ILE 30 -2.144 -8.181 1.742 212 HA ILE 30 HA ILE 30 0.323 -8.724 3.326 213 HB ILE 30 HB ILE 30 -1.013 -6.130 2.423 214 1HG1 ILE 30 1HG1 ILE 30 1.560 -7.585 1.558 215 2HG1 ILE 30 2HG1 ILE 30 0.184 -7.161 0.576 216 1HG2 ILE 30 1HG2 ILE 30 0.069 -5.630 4.645 217 2HG2 ILE 30 2HG2 ILE 30 1.607 -6.327 4.074 218 3HG2 ILE 30 3HG2 ILE 30 0.947 -4.838 3.341 219 1HD1 ILE 30 1HD1 ILE 30 2.131 -5.027 1.678 220 2HD1 ILE 30 2HD1 ILE 30 2.056 -5.672 0.024 221 3HD1 ILE 30 3HD1 ILE 30 0.693 -4.732 0.666 222 H LEU 31 H LEU 31 -2.642 -6.865 4.166 223 HA LEU 31 HA LEU 31 -1.867 -6.436 7.035 224 1HB LEU 31 1HB LEU 31 -4.750 -6.253 6.173 225 2HB LEU 31 2HB LEU 31 -3.857 -5.243 7.284 226 HG LEU 31 HG LEU 31 -4.112 -5.011 4.278 227 1HD1 LEU 31 1HD1 LEU 31 -4.053 -2.982 6.613 228 2HD1 LEU 31 2HD1 LEU 31 -4.290 -2.570 4.894 229 3HD1 LEU 31 3HD1 LEU 31 -5.481 -3.578 5.722 230 1HD2 LEU 31 1HD2 LEU 31 -1.632 -3.970 5.828 231 2HD2 LEU 31 2HD2 LEU 31 -1.633 -5.107 4.451 232 3HD2 LEU 31 3HD2 LEU 31 -2.117 -3.427 4.200 233 H ARG 32 H ARG 32 -3.320 -9.102 5.318 234 HA ARG 32 HA ARG 32 -3.955 -10.581 7.850 235 1HB ARG 32 1HB ARG 32 -4.003 -11.049 4.840 236 2HB ARG 32 2HB ARG 32 -4.125 -12.458 5.892 237 1HG ARG 32 1HG ARG 32 -5.972 -9.968 6.058 238 2HG ARG 32 2HG ARG 32 -6.330 -11.403 5.079 239 1HD ARG 32 1HD ARG 32 -6.154 -12.846 7.220 240 2HD ARG 32 2HD ARG 32 -5.975 -11.350 8.164 241 HE ARG 32 HE ARG 32 -8.318 -10.790 7.731 242 1HH1 ARG 32 2HH1 ARG 32 -7.438 -13.553 5.817 243 2HH1 ARG 32 1HH1 ARG 32 -9.183 -13.928 5.422 244 1HH2 ARG 32 1HH2 ARG 32 -10.270 -11.248 7.271 245 2HH2 ARG 32 2HH2 ARG 32 -10.692 -12.680 6.223 246 H ALA 33 H ALA 33 -1.444 -10.972 5.324 247 HA ALA 33 HA ALA 33 -0.331 -13.396 6.029 248 1HB ALA 33 1HB ALA 33 0.297 -12.067 4.018 249 2HB ALA 33 2HB ALA 33 1.267 -10.950 5.017 250 3HB ALA 33 3HB ALA 33 1.749 -12.652 4.848 251 H THR 34 H THR 34 1.276 -10.428 7.235 252 HA THR 34 HA THR 34 3.073 -12.096 8.966 253 HB THR 34 HB THR 34 3.375 -9.084 8.894 254 HG1 THR 34 HG1 THR 34 3.775 -10.835 6.703 255 1HG2 THR 34 2HG2 THR 34 5.044 -10.688 10.036 256 2HG2 THR 34 3HG2 THR 34 5.392 -11.395 8.436 257 3HG2 THR 34 1HG2 THR 34 5.789 -9.698 8.755 258 H GLY 35 H GLY 35 0.484 -12.120 10.008 259 1HA GLY 35 1HA GLY 35 -0.264 -11.943 12.394 260 2HA GLY 35 2HA GLY 35 0.621 -10.420 12.538 261 1HN NH2 36 1HN NH2 36 -0.296 -8.434 11.376 262 2HN NH2 36 2HN NH2 36 -2.073 -8.296 11.280 263 1H ACE 37 1HH3 ACE 37 -11.400 -3.762 14.320 264 2H ACE 37 2HH3 ACE 37 -9.615 -3.570 14.390 265 3H ACE 37 3HH3 ACE 37 -10.680 -2.168 14.672 266 H VAL 38 H VAL 38 -9.549 -4.424 12.171 267 HA VAL 38 HA VAL 38 -10.148 -2.516 9.946 268 HB VAL 38 HB VAL 38 -9.384 -4.624 8.519 269 1HG1 VAL 38 1HG1 VAL 38 -7.434 -3.007 10.318 270 2HG1 VAL 38 2HG1 VAL 38 -6.928 -3.973 8.913 271 3HG1 VAL 38 3HG1 VAL 38 -7.979 -2.571 8.688 272 1HG2 VAL 38 1HG2 VAL 38 -9.381 -6.331 10.391 273 2HG2 VAL 38 2HG2 VAL 38 -7.741 -6.101 9.747 274 3HG2 VAL 38 3HG2 VAL 38 -8.205 -5.348 11.292 275 H THR 39 H THR 39 -12.303 -2.208 9.788 276 HA THR 39 HA THR 39 -14.092 -4.497 8.818 277 HB THR 39 HB THR 39 -15.789 -2.516 8.459 278 HG1 THR 39 HG1 THR 39 -14.889 -0.708 8.990 279 1HG2 THR 39 2HG2 THR 39 -14.972 -3.435 11.306 280 2HG2 THR 39 3HG2 THR 39 -16.545 -2.728 10.864 281 3HG2 THR 39 1HG2 THR 39 -16.064 -4.304 10.202 282 H GLU 40 H GLU 40 -15.172 -4.063 6.683 283 HA GLU 40 HA GLU 40 -13.078 -3.739 4.567 284 1HB GLU 40 1HB GLU 40 -14.862 -5.507 4.532 285 2HB GLU 40 2HB GLU 40 -16.067 -4.292 4.230 286 1HG GLU 40 1HG GLU 40 -14.961 -3.742 1.989 287 2HG GLU 40 2HG GLU 40 -13.723 -4.945 2.298 288 H GLU 41 H GLU 41 -15.795 -1.748 5.695 289 HA GLU 41 HA GLU 41 -15.577 0.388 3.811 290 1HB GLU 41 1HB GLU 41 -17.258 -0.106 5.795 291 2HB GLU 41 2HB GLU 41 -16.267 0.993 6.705 292 1HG GLU 41 1HG GLU 41 -16.978 2.907 5.459 293 2HG GLU 41 2HG GLU 41 -17.299 1.996 3.995 294 H ASP 42 H ASP 42 -13.588 -0.020 6.712 295 HA ASP 42 HA ASP 42 -12.135 2.585 6.577 296 1HB ASP 42 1HB ASP 42 -11.772 -0.049 8.089 297 2HB ASP 42 2HB ASP 42 -10.451 1.110 8.067 298 H ILE 43 H ILE 43 -11.519 -0.654 5.250 299 HA ILE 43 HA ILE 43 -8.794 -0.061 4.135 300 HB ILE 43 HB ILE 43 -10.761 -2.336 3.563 301 1HG1 ILE 43 1HG1 ILE 43 -8.140 -3.235 4.540 302 2HG1 ILE 43 2HG1 ILE 43 -8.731 -2.010 5.629 303 1HG2 ILE 43 1HG2 ILE 43 -9.415 -1.948 1.461 304 2HG2 ILE 43 2HG2 ILE 43 -7.902 -2.001 2.388 305 3HG2 ILE 43 3HG2 ILE 43 -8.916 -3.455 2.213 306 1HD1 ILE 43 1HD1 ILE 43 -10.915 -3.245 5.960 307 2HD1 ILE 43 2HD1 ILE 43 -10.281 -4.589 4.975 308 3HD1 ILE 43 3HD1 ILE 43 -9.481 -4.148 6.499 309 H GLU 44 H GLU 44 -12.127 0.107 2.949 310 HA GLU 44 HA GLU 44 -11.347 0.904 0.162 311 1HB GLU 44 1HB GLU 44 -13.861 0.158 1.542 312 2HB GLU 44 2HB GLU 44 -14.088 1.428 0.378 313 1HG GLU 44 1HG GLU 44 -12.486 -0.865 -0.746 314 2HG GLU 44 2HG GLU 44 -14.071 -1.357 -0.178 315 H ASP 45 H ASP 45 -12.383 2.597 3.058 316 HA ASP 45 HA ASP 45 -12.569 5.315 1.784 317 1HB ASP 45 1HB ASP 45 -12.766 4.249 4.652 318 2HB ASP 45 2HB ASP 45 -12.621 5.977 4.368 319 H LEU 46 H LEU 46 -10.067 3.521 3.565 320 HA LEU 46 HA LEU 46 -7.956 5.599 3.238 321 1HB LEU 46 1HB LEU 46 -7.926 3.739 4.909 322 2HB LEU 46 2HB LEU 46 -7.720 2.556 3.638 323 HG LEU 46 HG LEU 46 -5.572 4.626 3.527 324 1HD1 LEU 46 1HD1 LEU 46 -6.113 3.174 6.157 325 2HD1 LEU 46 2HD1 LEU 46 -4.453 3.552 5.674 326 3HD1 LEU 46 3HD1 LEU 46 -5.633 4.877 5.902 327 1HD2 LEU 46 1HD2 LEU 46 -5.684 2.153 2.514 328 2HD2 LEU 46 2HD2 LEU 46 -4.156 2.810 3.106 329 3HD2 LEU 46 3HD2 LEU 46 -5.075 1.661 4.122 330 H MET 47 H MET 47 -8.368 2.593 1.272 331 HA MET 47 HA MET 47 -6.877 3.682 -1.012 332 1HB MET 47 1HB MET 47 -8.094 1.189 -0.316 333 2HB MET 47 2HB MET 47 -8.884 1.676 -1.806 334 1HG MET 47 1HG MET 47 -5.826 1.818 -1.712 335 2HG MET 47 2HG MET 47 -6.636 0.257 -1.937 336 1HE MET 47 1HE MET 47 -4.648 1.364 -3.943 337 2HE MET 47 2HE MET 47 -5.578 -0.125 -4.278 338 3HE MET 47 3HE MET 47 -5.467 1.148 -5.528 339 H LYS 48 H LYS 48 -9.729 4.961 0.110 340 HA LYS 48 HA LYS 48 -10.000 6.354 -2.605 341 1HB LYS 48 1HB LYS 48 -12.005 5.642 -0.427 342 2HB LYS 48 2HB LYS 48 -12.380 6.987 -1.460 343 1HG LYS 48 1HG LYS 48 -12.408 5.466 -3.486 344 2HG LYS 48 2HG LYS 48 -11.685 4.177 -2.576 345 1HD LYS 48 1HD LYS 48 -13.667 3.324 -2.004 346 2HD LYS 48 2HD LYS 48 -14.084 4.721 -1.068 347 1HE LYS 48 1HE LYS 48 -14.889 5.744 -3.472 348 2HE LYS 48 2HE LYS 48 -14.799 4.074 -4.004 349 1HZ LYS 48 1HZ LYS 48 -16.254 4.320 -1.433 350 2HZ LYS 48 2HZ LYS 48 -17.034 5.012 -2.720 351 3HZ LYS 48 3HZ LYS 48 -16.597 3.439 -2.704 352 H ASP 49 H ASP 49 -9.036 6.750 0.667 353 HA ASP 49 HA ASP 49 -9.041 9.769 0.693 354 1HB ASP 49 1HB ASP 49 -8.955 8.336 2.810 355 2HB ASP 49 2HB ASP 49 -7.319 7.849 2.387 356 H SER 50 H SER 50 -6.655 7.244 -0.125 357 HA SER 50 HA SER 50 -4.756 9.334 -1.206 358 1HB SER 50 1HB SER 50 -4.537 6.489 -0.177 359 2HB SER 50 2HB SER 50 -3.353 6.949 -1.396 360 HG SER 50 HG SER 50 -2.429 8.259 -0.039 361 H ASP 51 H ASP 51 -6.646 6.611 -2.437 362 HA ASP 51 HA ASP 51 -5.547 6.697 -5.180 363 1HB ASP 51 1HB ASP 51 -6.732 4.752 -3.778 364 2HB ASP 51 2HB ASP 51 -8.223 5.386 -4.461 365 H LYS 52 H LYS 52 -6.242 9.317 -4.668 366 HA LYS 52 HA LYS 52 -9.050 10.097 -5.401 367 1HB LYS 52 1HB LYS 52 -8.071 12.405 -5.452 368 2HB LYS 52 2HB LYS 52 -7.920 11.605 -3.918 369 1HG LYS 52 1HG LYS 52 -5.421 11.009 -5.241 370 2HG LYS 52 2HG LYS 52 -5.816 12.587 -5.846 371 1HD LYS 52 1HD LYS 52 -6.307 13.122 -3.211 372 2HD LYS 52 2HD LYS 52 -5.150 11.861 -2.943 373 1HE LYS 52 1HE LYS 52 -3.642 13.683 -3.053 374 2HE LYS 52 2HE LYS 52 -3.683 13.322 -4.778 375 1HZ LYS 52 1HZ LYS 52 -5.919 15.111 -3.994 376 2HZ LYS 52 2HZ LYS 52 -4.447 15.757 -3.710 377 3HZ LYS 52 3HZ LYS 52 -4.800 15.334 -5.195 378 H ASN 53 H ASN 53 -6.078 9.407 -7.109 379 HA ASN 53 HA ASN 53 -6.404 10.674 -9.606 380 1HB ASN 53 1HB ASN 53 -4.905 8.943 -10.553 381 2HB ASN 53 2HB ASN 53 -4.403 9.319 -8.929 382 1HD2 ASN 53 1HD2 ASN 53 -5.648 5.537 -9.744 383 2HD2 ASN 53 2HD2 ASN 53 -5.895 6.871 -10.958 384 H ASN 54 H ASN 54 -8.395 8.099 -8.460 385 HA ASN 54 HA ASN 54 -10.025 6.644 -9.446 386 1HB ASN 54 1HB ASN 54 -10.490 9.273 -11.002 387 2HB ASN 54 2HB ASN 54 -11.458 7.860 -11.319 388 1HD2 ASN 54 1HD2 ASN 54 -12.992 8.117 -7.970 389 2HD2 ASN 54 2HD2 ASN 54 -12.235 6.837 -9.020 390 H ASP 55 H ASP 55 -7.885 5.527 -10.248 391 HA ASP 55 HA ASP 55 -9.032 4.476 -12.876 392 1HB ASP 55 1HB ASP 55 -6.918 5.630 -13.446 393 2HB ASP 55 2HB ASP 55 -6.027 4.734 -12.224 394 H GLY 56 H GLY 56 -7.403 3.715 -9.833 395 1HA GLY 56 1HA GLY 56 -8.696 1.646 -8.755 396 2HA GLY 56 2HA GLY 56 -8.041 0.740 -10.128 397 H ARG 57 H ARG 57 -5.438 2.430 -9.724 398 HA ARG 57 HA ARG 57 -4.221 0.271 -7.910 399 1HB ARG 57 1HB ARG 57 -2.986 -0.653 -9.686 400 2HB ARG 57 2HB ARG 57 -4.564 -0.335 -10.405 401 1HG ARG 57 1HG ARG 57 -3.557 1.930 -11.283 402 2HG ARG 57 2HG ARG 57 -1.983 1.350 -10.741 403 1HD ARG 57 1HD ARG 57 -2.253 0.835 -13.162 404 2HD ARG 57 2HD ARG 57 -2.191 -0.670 -12.247 405 HE ARG 57 HE ARG 57 -5.017 0.306 -12.444 406 1HH1 ARG 57 2HH1 ARG 57 -2.673 -1.712 -14.005 407 2HH1 ARG 57 1HH1 ARG 57 -3.992 -2.822 -14.654 408 1HH2 ARG 57 1HH2 ARG 57 -6.415 -0.765 -13.376 409 2HH2 ARG 57 2HH2 ARG 57 -6.027 -2.236 -14.397 410 H ILE 58 H ILE 58 -2.032 0.451 -7.357 411 HA ILE 58 HA ILE 58 -1.206 3.336 -6.859 412 HB ILE 58 HB ILE 58 -0.827 0.781 -5.227 413 1HG1 ILE 58 1HG1 ILE 58 -2.329 3.419 -4.635 414 2HG1 ILE 58 2HG1 ILE 58 -3.055 1.871 -4.966 415 1HG2 ILE 58 1HG2 ILE 58 1.311 2.118 -4.994 416 2HG2 ILE 58 2HG2 ILE 58 0.381 3.558 -4.534 417 3HG2 ILE 58 3HG2 ILE 58 0.411 2.123 -3.482 418 1HD1 ILE 58 1HD1 ILE 58 -2.074 0.870 -2.852 419 2HD1 ILE 58 2HD1 ILE 58 -1.434 2.477 -2.420 420 3HD1 ILE 58 3HD1 ILE 58 -3.188 2.229 -2.562 421 H ASP 59 H ASP 59 0.876 4.088 -7.180 422 HA ASP 59 HA ASP 59 3.028 2.133 -8.138 423 1HB ASP 59 1HB ASP 59 3.937 4.025 -9.464 424 2HB ASP 59 2HB ASP 59 2.244 3.749 -9.847 425 H PHE 60 H PHE 60 5.329 2.988 -7.781 426 HA PHE 60 HA PHE 60 5.906 2.354 -5.028 427 1HB PHE 60 1HB PHE 60 7.485 2.120 -7.005 428 2HB PHE 60 2HB PHE 60 7.742 3.833 -7.010 429 HD1 PHE 60 HD1 PHE 60 8.243 4.635 -4.218 430 HD2 PHE 60 HD2 PHE 60 9.406 1.005 -6.198 431 HE1 PHE 60 HE1 PHE 60 10.166 4.406 -2.688 432 HE2 PHE 60 HE2 PHE 60 11.302 0.772 -4.660 433 HZ PHE 60 HZ PHE 60 11.701 2.474 -2.907 434 H ASP 61 H ASP 61 5.374 5.509 -6.430 435 HA ASP 61 HA ASP 61 6.292 7.344 -4.297 436 1HB ASP 61 1HB ASP 61 5.592 8.500 -6.249 437 2HB ASP 61 2HB ASP 61 4.302 7.369 -6.612 438 H GLU 62 H GLU 62 2.955 6.800 -5.027 439 HA GLU 62 HA GLU 62 1.418 6.977 -2.658 440 1HB GLU 62 1HB GLU 62 1.136 4.702 -4.670 441 2HB GLU 62 2HB GLU 62 -0.085 5.218 -3.545 442 1HG GLU 62 1HG GLU 62 0.994 7.160 -5.696 443 2HG GLU 62 2HG GLU 62 -0.277 6.010 -6.066 444 H PHE 63 H PHE 63 3.708 4.353 -3.306 445 HA PHE 63 HA PHE 63 2.815 2.506 -1.102 446 1HB PHE 63 1HB PHE 63 4.145 1.849 -3.190 447 2HB PHE 63 2HB PHE 63 5.524 2.677 -2.554 448 HD1 PHE 63 HD1 PHE 63 3.290 -0.265 -1.645 449 HD2 PHE 63 HD2 PHE 63 7.146 1.608 -1.276 450 HE1 PHE 63 HE1 PHE 63 4.142 -2.221 -0.412 451 HE2 PHE 63 HE2 PHE 63 7.974 -0.345 -0.062 452 HZ PHE 63 HZ PHE 63 6.469 -2.241 0.427 453 H LEU 64 H LEU 64 5.616 4.705 -1.424 454 HA LEU 64 HA LEU 64 6.455 4.892 1.326 455 1HB LEU 64 1HB LEU 64 6.513 6.985 -0.905 456 2HB LEU 64 2HB LEU 64 7.235 7.298 0.653 457 HG LEU 64 HG LEU 64 8.073 4.831 -0.969 458 1HD1 LEU 64 1HD1 LEU 64 9.135 7.723 -1.300 459 2HD1 LEU 64 2HD1 LEU 64 9.942 6.262 -1.932 460 3HD1 LEU 64 3HD1 LEU 64 8.335 6.696 -2.521 461 1HD2 LEU 64 1HD2 LEU 64 9.537 6.546 1.171 462 2HD2 LEU 64 2HD2 LEU 64 8.954 4.866 1.357 463 3HD2 LEU 64 3HD2 LEU 64 10.284 5.219 0.246 464 H LYS 65 H LYS 65 4.125 7.176 -0.200 465 HA LYS 65 HA LYS 65 3.189 8.545 2.139 466 1HB LYS 65 1HB LYS 65 1.718 7.656 -0.409 467 2HB LYS 65 2HB LYS 65 1.115 8.913 0.653 468 1HG LYS 65 1HG LYS 65 3.439 8.933 -1.344 469 2HG LYS 65 2HG LYS 65 2.118 10.099 -1.144 470 1HD LYS 65 1HD LYS 65 3.283 10.313 1.340 471 2HD LYS 65 2HD LYS 65 4.733 9.907 0.415 472 1HE LYS 65 1HE LYS 65 4.269 12.434 0.790 473 2HE LYS 65 2HE LYS 65 4.530 11.968 -0.901 474 1HZ LYS 65 1HZ LYS 65 1.944 11.675 -1.024 475 2HZ LYS 65 2HZ LYS 65 1.808 12.439 0.384 476 3HZ LYS 65 3HZ LYS 65 2.421 13.230 -0.927 477 H MET 66 H MET 66 2.095 5.390 0.901 478 HA MET 66 HA MET 66 -0.099 5.017 2.774 479 1HB MET 66 1HB MET 66 0.427 3.904 0.437 480 2HB MET 66 2HB MET 66 1.357 2.731 1.345 481 1HG MET 66 1HG MET 66 -0.650 2.020 2.662 482 2HG MET 66 2HG MET 66 -1.655 3.222 1.830 483 1HE MET 66 1HE MET 66 0.713 0.100 1.394 484 2HE MET 66 2HE MET 66 0.593 -0.207 -0.364 485 3HE MET 66 3HE MET 66 1.375 1.289 0.230 486 H MET 67 H MET 67 3.186 3.616 2.904 487 HA MET 67 HA MET 67 2.667 2.114 5.515 488 1HB MET 67 1HB MET 67 4.748 1.050 5.214 489 2HB MET 67 2HB MET 67 4.170 1.221 3.569 490 1HG MET 67 1HG MET 67 5.991 2.425 2.928 491 2HG MET 67 2HG MET 67 5.760 3.615 4.222 492 1HE MET 67 1HE MET 67 7.094 0.260 3.060 493 2HE MET 67 2HE MET 67 8.232 -0.297 4.326 494 3HE MET 67 3HE MET 67 6.468 -0.461 4.578 495 H GLU 68 H GLU 68 4.016 5.191 4.386 496 HA GLU 68 HA GLU 68 4.766 6.152 7.048 497 1HB GLU 68 1HB GLU 68 5.400 7.238 4.915 498 2HB GLU 68 2HB GLU 68 3.762 7.751 4.642 499 1HG GLU 68 1HG GLU 68 3.892 9.527 6.224 500 2HG GLU 68 2HG GLU 68 5.047 8.701 7.254 501 H GLY 69 H GLY 69 1.731 7.029 5.378 502 1HA GLY 69 1HA GLY 69 -0.477 6.229 6.181 503 2HA GLY 69 2HA GLY 69 0.170 6.135 7.823 504 H VAL 70 H VAL 70 0.481 8.216 8.999 505 HA VAL 70 HA VAL 70 -1.555 10.301 8.639 506 HB VAL 70 HB VAL 70 0.964 10.129 10.340 507 1HG1 VAL 70 1HG1 VAL 70 -0.868 12.628 10.154 508 2HG1 VAL 70 2HG1 VAL 70 0.350 12.347 11.424 509 3HG1 VAL 70 3HG1 VAL 70 0.864 12.561 9.749 510 1HG2 VAL 70 1HG2 VAL 70 -1.109 8.936 11.160 511 2HG2 VAL 70 2HG2 VAL 70 -0.661 10.242 12.247 512 3HG2 VAL 70 3HG2 VAL 70 -2.032 10.454 11.117 513 H GLN 71 H GLN 71 -1.487 12.279 7.535 514 HA GLN 71 HA GLN 71 -0.008 11.992 4.943 515 1HB GLN 71 1HB GLN 71 -2.188 13.865 5.975 516 2HB GLN 71 2HB GLN 71 -1.383 14.181 4.440 517 1HG GLN 71 1HG GLN 71 -2.006 11.632 3.876 518 2HG GLN 71 2HG GLN 71 -3.131 11.741 5.216 519 1HE2 GLN 71 1HE2 GLN 71 -4.775 14.490 3.077 520 2HE2 GLN 71 2HE2 GLN 71 -3.625 14.643 4.516 521 1HN NH2 72 1HN NH2 72 1.718 13.234 4.130 522 2HN NH2 72 2HN NH2 72 2.551 14.511 5.055 No H/Q in entry = 522 Start of MODEL 33 1 1H ACE 1 1HH3 ACE 1 21.557 8.454 1.211 2 2H ACE 1 2HH3 ACE 1 22.443 8.308 2.770 3 3H ACE 1 3HH3 ACE 1 23.094 7.564 1.282 4 H LYS 2 H LYS 2 20.082 7.458 3.233 5 HA LYS 2 HA LYS 2 19.258 4.971 1.770 6 1HB LYS 2 1HB LYS 2 18.532 3.844 3.990 7 2HB LYS 2 2HB LYS 2 20.196 3.660 3.479 8 1HG LYS 2 1HG LYS 2 20.989 4.821 5.406 9 2HG LYS 2 2HG LYS 2 19.751 6.045 5.288 10 1HD LYS 2 1HD LYS 2 19.146 4.991 7.310 11 2HD LYS 2 2HD LYS 2 18.080 4.140 6.189 12 1HE LYS 2 1HE LYS 2 19.776 2.280 5.934 13 2HE LYS 2 2HE LYS 2 20.861 3.062 7.098 14 1HZ LYS 2 1HZ LYS 2 18.620 3.079 8.584 15 2HZ LYS 2 2HZ LYS 2 18.112 1.896 7.693 16 3HZ LYS 2 3HZ LYS 2 19.496 1.719 8.596 17 H SER 3 H SER 3 17.760 6.688 0.957 18 HA SER 3 HA SER 3 15.245 6.744 2.683 19 1HB SER 3 1HB SER 3 15.747 8.125 -0.005 20 2HB SER 3 2HB SER 3 14.474 8.496 1.134 21 HG SER 3 HG SER 3 16.659 9.721 1.020 22 H GLU 4 H GLU 4 16.503 4.489 0.597 23 HA GLU 4 HA GLU 4 13.908 3.999 -0.905 24 1HB GLU 4 1HB GLU 4 15.577 5.369 -2.332 25 2HB GLU 4 2HB GLU 4 16.470 3.872 -2.442 26 1HG GLU 4 1HG GLU 4 14.036 2.953 -3.393 27 2HG GLU 4 2HG GLU 4 13.860 4.653 -3.814 28 H GLU 5 H GLU 5 17.012 2.669 0.100 29 HA GLU 5 HA GLU 5 16.901 0.146 -1.074 30 1HB GLU 5 1HB GLU 5 18.851 1.131 0.076 31 2HB GLU 5 2HB GLU 5 18.171 0.755 1.630 32 1HG GLU 5 1HG GLU 5 18.387 -1.742 1.137 33 2HG GLU 5 2HG GLU 5 19.022 -1.383 -0.458 34 H GLU 6 H GLU 6 15.745 0.603 2.276 35 HA GLU 6 HA GLU 6 14.783 -2.209 2.368 36 1HB GLU 6 1HB GLU 6 14.458 -1.851 4.773 37 2HB GLU 6 2HB GLU 6 16.060 -1.469 4.221 38 1HG GLU 6 1HG GLU 6 14.404 1.010 4.308 39 2HG GLU 6 2HG GLU 6 14.344 0.176 5.850 40 H LEU 7 H LEU 7 13.089 0.910 2.282 41 HA LEU 7 HA LEU 7 10.351 -0.227 2.235 42 1HB LEU 7 1HB LEU 7 11.479 2.363 1.041 43 2HB LEU 7 2HB LEU 7 9.780 1.959 1.012 44 HG LEU 7 HG LEU 7 11.015 3.474 2.971 45 1HD1 LEU 7 1HD1 LEU 7 8.582 3.415 2.457 46 2HD1 LEU 7 2HD1 LEU 7 8.410 1.827 3.250 47 3HD1 LEU 7 3HD1 LEU 7 8.845 3.271 4.201 48 1HD2 LEU 7 1HD2 LEU 7 10.642 0.637 4.187 49 2HD2 LEU 7 2HD2 LEU 7 12.165 1.562 4.081 50 3HD2 LEU 7 3HD2 LEU 7 10.865 2.136 5.128 51 H ALA 8 H ALA 8 12.565 0.582 -0.486 52 HA ALA 8 HA ALA 8 11.141 -0.573 -2.648 53 1HB ALA 8 1HB ALA 8 14.193 -0.543 -2.138 54 2HB ALA 8 2HB ALA 8 13.423 -0.808 -3.715 55 3HB ALA 8 3HB ALA 8 13.221 0.743 -2.891 56 H ASN 9 H ASN 9 13.878 -2.563 -1.350 57 HA ASN 9 HA ASN 9 13.164 -5.165 -1.673 58 1HB ASN 9 1HB ASN 9 13.836 -4.036 1.135 59 2HB ASN 9 2HB ASN 9 13.992 -5.706 0.664 60 1HD2 ASN 9 1HD2 ASN 9 17.308 -3.977 0.326 61 2HD2 ASN 9 2HD2 ASN 9 16.093 -4.165 1.668 62 H ALA 10 H ALA 10 11.496 -3.306 0.891 63 HA ALA 10 HA ALA 10 9.717 -5.489 1.734 64 1HB ALA 10 1HB ALA 10 10.509 -3.610 3.184 65 2HB ALA 10 2HB ALA 10 9.527 -2.442 2.263 66 3HB ALA 10 3HB ALA 10 8.739 -3.724 3.208 67 H PHE 11 H PHE 11 8.948 -2.579 -0.220 68 HA PHE 11 HA PHE 11 6.174 -3.196 -0.802 69 1HB PHE 11 1HB PHE 11 7.227 -0.961 -1.075 70 2HB PHE 11 2HB PHE 11 8.207 -1.534 -2.382 71 HD1 PHE 11 HD1 PHE 11 6.757 -2.672 -4.446 72 HD2 PHE 11 HD2 PHE 11 5.301 0.338 -1.738 73 HE1 PHE 11 HE1 PHE 11 5.065 -1.991 -6.098 74 HE2 PHE 11 HE2 PHE 11 3.592 0.980 -3.392 75 HZ PHE 11 HZ PHE 11 3.480 -0.179 -5.576 76 H ARG 12 H ARG 12 9.045 -3.980 -2.764 77 HA ARG 12 HA ARG 12 7.742 -5.646 -4.804 78 1HB ARG 12 1HB ARG 12 10.566 -5.359 -3.737 79 2HB ARG 12 2HB ARG 12 10.204 -6.813 -4.661 80 1HG ARG 12 1HG ARG 12 9.084 -4.910 -6.348 81 2HG ARG 12 2HG ARG 12 10.319 -3.905 -5.578 82 1HD ARG 12 1HD ARG 12 11.063 -6.662 -6.738 83 2HD ARG 12 2HD ARG 12 10.942 -5.229 -7.796 84 HE ARG 12 HE ARG 12 12.527 -4.263 -5.653 85 1HH1 ARG 12 2HH1 ARG 12 12.880 -6.982 -7.772 86 2HH1 ARG 12 1HH1 ARG 12 14.703 -6.964 -7.625 87 1HH2 ARG 12 1HH2 ARG 12 14.563 -4.248 -5.514 88 2HH2 ARG 12 2HH2 ARG 12 15.601 -5.460 -6.399 89 H ILE 13 H ILE 13 8.816 -6.401 -1.500 90 HA ILE 13 HA ILE 13 8.557 -9.359 -1.792 91 HB ILE 13 HB ILE 13 9.131 -7.546 0.598 92 1HG1 ILE 13 1HG1 ILE 13 10.940 -8.396 -1.282 93 2HG1 ILE 13 2HG1 ILE 13 11.357 -8.059 0.376 94 1HG2 ILE 13 1HG2 ILE 13 7.804 -9.486 1.524 95 2HG2 ILE 13 2HG2 ILE 13 8.885 -10.644 0.713 96 3HG2 ILE 13 3HG2 ILE 13 9.478 -9.618 2.034 97 1HD1 ILE 13 1HD1 ILE 13 11.169 -10.483 1.023 98 2HD1 ILE 13 2HD1 ILE 13 10.805 -10.901 -0.669 99 3HD1 ILE 13 3HD1 ILE 13 12.378 -10.197 -0.249 100 H PHE 14 H PHE 14 6.505 -6.774 -0.610 101 HA PHE 14 HA PHE 14 4.308 -8.374 0.655 102 1HB PHE 14 1HB PHE 14 4.317 -5.577 -0.664 103 2HB PHE 14 2HB PHE 14 2.926 -6.271 0.102 104 HD1 PHE 14 HD1 PHE 14 4.910 -7.606 2.378 105 HD2 PHE 14 HD2 PHE 14 4.085 -3.638 0.955 106 HE1 PHE 14 HE1 PHE 14 5.593 -6.678 4.555 107 HE2 PHE 14 HE2 PHE 14 4.791 -2.715 3.126 108 HZ PHE 14 HZ PHE 14 5.575 -4.224 4.919 109 H ASP 15 H ASP 15 4.770 -6.950 -2.599 110 HA ASP 15 HA ASP 15 2.285 -7.963 -3.705 111 1HB ASP 15 1HB ASP 15 3.461 -5.914 -4.482 112 2HB ASP 15 2HB ASP 15 4.800 -6.861 -5.113 113 H LYS 16 H LYS 16 1.689 -9.937 -4.297 114 HA LYS 16 HA LYS 16 3.654 -12.205 -4.149 115 1HB LYS 16 1HB LYS 16 1.756 -13.726 -4.323 116 2HB LYS 16 2HB LYS 16 1.438 -12.529 -3.099 117 1HG LYS 16 1HG LYS 16 0.262 -11.581 -5.625 118 2HG LYS 16 2HG LYS 16 -0.108 -13.295 -5.478 119 1HD LYS 16 1HD LYS 16 -1.155 -10.975 -3.885 120 2HD LYS 16 2HD LYS 16 -1.923 -12.493 -4.347 121 1HE LYS 16 1HE LYS 16 -1.847 -13.082 -2.167 122 2HE LYS 16 2HE LYS 16 -0.148 -13.505 -2.464 123 1HZ LYS 16 1HZ LYS 16 -0.737 -10.591 -1.907 124 2HZ LYS 16 2HZ LYS 16 -0.748 -11.635 -0.626 125 3HZ LYS 16 3HZ LYS 16 0.593 -11.482 -1.535 126 H ASN 17 H ASN 17 1.920 -10.372 -6.602 127 HA ASN 17 HA ASN 17 2.927 -12.064 -8.843 128 1HB ASN 17 1HB ASN 17 1.598 -9.397 -9.381 129 2HB ASN 17 2HB ASN 17 1.440 -10.909 -10.235 130 1HD2 ASN 17 1HD2 ASN 17 -0.950 -11.697 -7.303 131 2HD2 ASN 17 2HD2 ASN 17 0.659 -12.386 -7.696 132 H ALA 18 H ALA 18 3.613 -8.713 -7.778 133 HA ALA 18 HA ALA 18 5.542 -7.302 -8.079 134 1HB ALA 18 1HB ALA 18 6.773 -9.338 -7.235 135 2HB ALA 18 2HB ALA 18 6.887 -9.952 -8.900 136 3HB ALA 18 3HB ALA 18 7.728 -8.455 -8.459 137 H ASP 19 H ASP 19 3.637 -7.498 -10.220 138 HA ASP 19 HA ASP 19 5.127 -6.723 -12.708 139 1HB ASP 19 1HB ASP 19 2.272 -6.471 -11.682 140 2HB ASP 19 2HB ASP 19 2.771 -5.375 -12.963 141 H GLY 20 H GLY 20 4.279 -5.102 -9.687 142 1HA GLY 20 1HA GLY 20 6.385 -3.303 -9.259 143 2HA GLY 20 2HA GLY 20 5.551 -2.519 -10.610 144 H TYR 21 H TYR 21 2.931 -3.631 -9.343 145 HA TYR 21 HA TYR 21 2.461 -1.100 -7.660 146 1HB TYR 21 1HB TYR 21 0.238 -2.613 -9.131 147 2HB TYR 21 2HB TYR 21 0.233 -0.978 -8.539 148 HD1 TYR 21 HD1 TYR 21 1.538 -3.146 -11.308 149 HD2 TYR 21 HD2 TYR 21 1.050 0.876 -9.861 150 HE1 TYR 21 HE1 TYR 21 2.187 -2.249 -13.518 151 HE2 TYR 21 HE2 TYR 21 1.692 1.740 -12.076 152 HH TYR 21 HH TYR 21 3.028 1.029 -13.969 153 H ILE 22 H ILE 22 0.752 -1.170 -6.052 154 HA ILE 22 HA ILE 22 0.010 -3.935 -4.932 155 HB ILE 22 HB ILE 22 0.153 -1.264 -3.436 156 1HG1 ILE 22 1HG1 ILE 22 1.887 -3.794 -3.303 157 2HG1 ILE 22 2HG1 ILE 22 2.391 -2.133 -3.458 158 1HG2 ILE 22 1HG2 ILE 22 -1.853 -2.581 -2.618 159 2HG2 ILE 22 2HG2 ILE 22 -0.828 -3.999 -2.327 160 3HG2 ILE 22 3HG2 ILE 22 -0.622 -2.511 -1.369 161 1HD1 ILE 22 1HD1 ILE 22 1.647 -1.627 -1.075 162 2HD1 ILE 22 2HD1 ILE 22 1.322 -3.366 -0.855 163 3HD1 ILE 22 3HD1 ILE 22 2.971 -2.811 -1.209 164 H ASP 23 H ASP 23 -2.158 -4.393 -4.554 165 HA ASP 23 HA ASP 23 -4.249 -2.306 -5.348 166 1HB ASP 23 1HB ASP 23 -5.667 -4.500 -5.777 167 2HB ASP 23 2HB ASP 23 -4.432 -4.028 -6.936 168 H ILE 24 H ILE 24 -6.462 -2.753 -4.369 169 HA ILE 24 HA ILE 24 -6.325 -2.485 -1.372 170 HB ILE 24 HB ILE 24 -8.037 -1.343 -3.052 171 1HG1 ILE 24 1HG1 ILE 24 -7.941 -1.184 -0.405 172 2HG1 ILE 24 2HG1 ILE 24 -9.363 -0.640 -1.253 173 1HG2 ILE 24 1HG2 ILE 24 -9.094 -3.466 -3.954 174 2HG2 ILE 24 2HG2 ILE 24 -9.631 -3.908 -2.321 175 3HG2 ILE 24 3HG2 ILE 24 -10.300 -2.478 -3.147 176 1HD1 ILE 24 1HD1 ILE 24 -10.541 -2.852 -0.802 177 2HD1 ILE 24 2HD1 ILE 24 -9.176 -3.318 0.241 178 3HD1 ILE 24 3HD1 ILE 24 -10.160 -1.899 0.657 179 H GLU 25 H GLU 25 -6.853 -5.048 -3.673 180 HA GLU 25 HA GLU 25 -8.223 -6.956 -1.806 181 1HB GLU 25 1HB GLU 25 -8.811 -7.108 -4.110 182 2HB GLU 25 2HB GLU 25 -7.163 -7.236 -4.646 183 1HG GLU 25 1HG GLU 25 -8.327 -9.439 -4.838 184 2HG GLU 25 2HG GLU 25 -6.993 -9.584 -3.708 185 H GLU 26 H GLU 26 -4.909 -6.390 -2.834 186 HA GLU 26 HA GLU 26 -3.734 -8.523 -1.078 187 1HB GLU 26 1HB GLU 26 -2.467 -6.266 -2.678 188 2HB GLU 26 2HB GLU 26 -1.528 -7.251 -1.597 189 1HG GLU 26 1HG GLU 26 -2.492 -9.324 -3.046 190 2HG GLU 26 2HG GLU 26 -2.875 -8.093 -4.236 191 H LEU 27 H LEU 27 -4.683 -5.202 -0.627 192 HA LEU 27 HA LEU 27 -2.787 -4.188 1.324 193 1HB LEU 27 1HB LEU 27 -4.443 -2.803 0.131 194 2HB LEU 27 2HB LEU 27 -5.773 -3.569 0.962 195 HG LEU 27 HG LEU 27 -5.296 -1.288 1.862 196 1HD1 LEU 27 1HD1 LEU 27 -6.380 -2.992 3.329 197 2HD1 LEU 27 2HD1 LEU 27 -4.791 -3.525 3.946 198 3HD1 LEU 27 3HD1 LEU 27 -5.393 -1.873 4.267 199 1HD2 LEU 27 1HD2 LEU 27 -2.604 -2.464 2.883 200 2HD2 LEU 27 2HD2 LEU 27 -2.793 -1.210 1.621 201 3HD2 LEU 27 3HD2 LEU 27 -3.280 -0.861 3.283 202 H GLY 28 H GLY 28 -6.051 -5.304 2.270 203 1HA GLY 28 1HA GLY 28 -5.755 -5.587 5.148 204 2HA GLY 28 2HA GLY 28 -6.812 -6.600 4.158 205 H GLU 29 H GLU 29 -4.761 -7.880 2.599 206 HA GLU 29 HA GLU 29 -4.231 -10.148 4.487 207 1HB GLU 29 1HB GLU 29 -4.200 -9.781 1.523 208 2HB GLU 29 2HB GLU 29 -3.068 -10.956 2.120 209 1HG GLU 29 1HG GLU 29 -5.452 -11.799 1.385 210 2HG GLU 29 2HG GLU 29 -4.805 -12.458 2.876 211 H ILE 30 H ILE 30 -2.277 -7.668 2.960 212 HA ILE 30 HA ILE 30 0.385 -8.380 4.096 213 HB ILE 30 HB ILE 30 -0.872 -5.682 3.392 214 1HG1 ILE 30 1HG1 ILE 30 -0.234 -6.497 1.294 215 2HG1 ILE 30 2HG1 ILE 30 1.239 -5.691 1.761 216 1HG2 ILE 30 1HG2 ILE 30 0.726 -5.284 5.301 217 2HG2 ILE 30 2HG2 ILE 30 2.018 -6.143 4.423 218 3HG2 ILE 30 3HG2 ILE 30 1.365 -4.598 3.810 219 1HD1 ILE 30 1HD1 ILE 30 0.893 -8.753 2.017 220 2HD1 ILE 30 2HD1 ILE 30 1.792 -7.867 0.767 221 3HD1 ILE 30 3HD1 ILE 30 2.339 -7.808 2.454 222 H LEU 31 H LEU 31 -2.223 -6.254 5.418 223 HA LEU 31 HA LEU 31 -0.652 -5.546 7.853 224 1HB LEU 31 1HB LEU 31 -3.655 -5.283 7.880 225 2HB LEU 31 2HB LEU 31 -2.439 -4.189 8.491 226 HG LEU 31 HG LEU 31 -3.371 -4.497 5.587 227 1HD1 LEU 31 1HD1 LEU 31 -3.371 -2.128 7.577 228 2HD1 LEU 31 2HD1 LEU 31 -3.878 -2.041 5.869 229 3HD1 LEU 31 3HD1 LEU 31 -4.776 -3.063 6.995 230 1HD2 LEU 31 1HD2 LEU 31 -0.931 -2.867 6.600 231 2HD2 LEU 31 2HD2 LEU 31 -0.907 -4.201 5.413 232 3HD2 LEU 31 3HD2 LEU 31 -1.691 -2.673 4.998 233 H ARG 32 H ARG 32 -2.711 -8.233 7.077 234 HA ARG 32 HA ARG 32 -2.414 -9.312 9.942 235 1HB ARG 32 1HB ARG 32 -4.662 -8.514 8.844 236 2HB ARG 32 2HB ARG 32 -4.606 -9.996 7.892 237 1HG ARG 32 1HG ARG 32 -5.565 -11.113 9.661 238 2HG ARG 32 2HG ARG 32 -4.133 -10.763 10.647 239 1HD ARG 32 1HD ARG 32 -5.083 -8.571 11.386 240 2HD ARG 32 2HD ARG 32 -6.464 -8.746 10.280 241 HE ARG 32 HE ARG 32 -6.503 -11.143 11.875 242 1HH1 ARG 32 2HH1 ARG 32 -6.756 -7.751 12.581 243 2HH1 ARG 32 1HH1 ARG 32 -7.813 -8.057 14.039 244 1HH2 ARG 32 1HH2 ARG 32 -7.681 -11.450 13.534 245 2HH2 ARG 32 2HH2 ARG 32 -8.274 -10.058 14.551 246 H ALA 33 H ALA 33 -2.729 -10.511 6.573 247 HA ALA 33 HA ALA 33 -2.543 -13.277 7.371 248 1HB ALA 33 1HB ALA 33 -3.816 -12.430 5.405 249 2HB ALA 33 2HB ALA 33 -2.300 -12.022 4.557 250 3HB ALA 33 3HB ALA 33 -2.702 -13.716 4.911 251 H THR 34 H THR 34 0.087 -11.195 6.780 252 HA THR 34 HA THR 34 1.743 -12.913 5.088 253 HB THR 34 HB THR 34 2.206 -10.677 4.703 254 HG1 THR 34 HG1 THR 34 4.139 -10.558 6.630 255 1HG2 THR 34 2HG2 THR 34 0.964 -9.840 6.806 256 2HG2 THR 34 3HG2 THR 34 2.455 -10.114 7.743 257 3HG2 THR 34 1HG2 THR 34 2.438 -8.907 6.447 258 H GLY 35 H GLY 35 1.677 -12.508 8.623 259 1HA GLY 35 1HA GLY 35 1.911 -14.886 9.770 260 2HA GLY 35 2HA GLY 35 3.365 -15.071 8.782 261 1HN NH2 36 1HN NH2 36 5.155 -13.284 9.130 262 2HN NH2 36 2HN NH2 36 5.468 -12.861 10.835 263 1H ACE 37 1HH3 ACE 37 -7.828 -10.822 10.211 264 2H ACE 37 2HH3 ACE 37 -9.352 -10.745 11.160 265 3H ACE 37 3HH3 ACE 37 -9.346 -11.464 9.529 266 H VAL 38 H VAL 38 -8.949 -8.405 11.281 267 HA VAL 38 HA VAL 38 -8.951 -6.078 10.556 268 HB VAL 38 HB VAL 38 -8.043 -5.458 8.596 269 1HG1 VAL 38 1HG1 VAL 38 -7.498 -8.505 8.333 270 2HG1 VAL 38 2HG1 VAL 38 -6.645 -7.254 7.400 271 3HG1 VAL 38 3HG1 VAL 38 -6.476 -7.315 9.157 272 1HG2 VAL 38 1HG2 VAL 38 -10.093 -5.904 7.175 273 2HG2 VAL 38 2HG2 VAL 38 -8.613 -6.354 6.302 274 3HG2 VAL 38 3HG2 VAL 38 -9.632 -7.615 7.038 275 H THR 39 H THR 39 -10.552 -4.679 9.245 276 HA THR 39 HA THR 39 -13.318 -5.989 9.187 277 HB THR 39 HB THR 39 -13.908 -4.835 11.035 278 HG1 THR 39 HG1 THR 39 -13.911 -2.376 10.594 279 1HG2 THR 39 2HG2 THR 39 -11.505 -2.925 10.598 280 2HG2 THR 39 3HG2 THR 39 -12.549 -2.953 12.041 281 3HG2 THR 39 1HG2 THR 39 -11.524 -4.352 11.660 282 H GLU 40 H GLU 40 -14.703 -5.161 7.523 283 HA GLU 40 HA GLU 40 -12.988 -4.778 5.096 284 1HB GLU 40 1HB GLU 40 -15.985 -5.012 4.883 285 2HB GLU 40 2HB GLU 40 -14.752 -5.574 3.796 286 1HG GLU 40 1HG GLU 40 -14.748 -6.967 6.495 287 2HG GLU 40 2HG GLU 40 -16.201 -7.214 5.544 288 H GLU 41 H GLU 41 -16.020 -3.087 6.010 289 HA GLU 41 HA GLU 41 -15.689 -0.826 4.330 290 1HB GLU 41 1HB GLU 41 -17.821 -1.183 5.148 291 2HB GLU 41 2HB GLU 41 -17.333 -1.315 6.810 292 1HG GLU 41 1HG GLU 41 -17.439 1.032 7.189 293 2HG GLU 41 2HG GLU 41 -17.004 1.451 5.542 294 H ASP 42 H ASP 42 -14.025 -1.325 7.319 295 HA ASP 42 HA ASP 42 -13.167 1.470 7.919 296 1HB ASP 42 1HB ASP 42 -12.320 -1.327 8.814 297 2HB ASP 42 2HB ASP 42 -11.255 0.028 9.162 298 H ILE 43 H ILE 43 -11.688 -1.206 6.077 299 HA ILE 43 HA ILE 43 -9.293 0.422 5.262 300 HB ILE 43 HB ILE 43 -10.194 -2.409 4.543 301 1HG1 ILE 43 1HG1 ILE 43 -7.769 -2.896 5.549 302 2HG1 ILE 43 2HG1 ILE 43 -7.889 -1.305 6.251 303 1HG2 ILE 43 1HG2 ILE 43 -9.062 -1.491 2.479 304 2HG2 ILE 43 2HG2 ILE 43 -7.666 -0.972 3.444 305 3HG2 ILE 43 3HG2 ILE 43 -8.033 -2.702 3.231 306 1HD1 ILE 43 1HD1 ILE 43 -10.015 -1.921 7.477 307 2HD1 ILE 43 2HD1 ILE 43 -9.838 -3.600 6.901 308 3HD1 ILE 43 3HD1 ILE 43 -8.598 -2.883 7.953 309 H GLU 44 H GLU 44 -12.414 -0.369 3.875 310 HA GLU 44 HA GLU 44 -11.778 0.398 1.048 311 1HB GLU 44 1HB GLU 44 -13.591 -0.751 0.595 312 2HB GLU 44 2HB GLU 44 -13.842 -1.060 2.285 313 1HG GLU 44 1HG GLU 44 -15.751 0.258 2.354 314 2HG GLU 44 2HG GLU 44 -14.987 1.604 1.529 315 H ASP 45 H ASP 45 -13.189 2.018 3.842 316 HA ASP 45 HA ASP 45 -13.637 4.668 2.488 317 1HB ASP 45 1HB ASP 45 -13.826 3.618 5.354 318 2HB ASP 45 2HB ASP 45 -13.756 5.355 5.088 319 H LEU 46 H LEU 46 -11.105 3.228 4.513 320 HA LEU 46 HA LEU 46 -9.389 5.632 4.746 321 1HB LEU 46 1HB LEU 46 -9.342 3.674 6.281 322 2HB LEU 46 2HB LEU 46 -8.688 2.648 5.026 323 HG LEU 46 HG LEU 46 -7.036 5.113 5.676 324 1HD1 LEU 46 1HD1 LEU 46 -7.861 4.280 7.961 325 2HD1 LEU 46 2HD1 LEU 46 -7.081 2.715 7.593 326 3HD1 LEU 46 3HD1 LEU 46 -6.091 4.176 7.729 327 1HD2 LEU 46 1HD2 LEU 46 -6.279 3.276 4.006 328 2HD2 LEU 46 2HD2 LEU 46 -5.138 3.595 5.346 329 3HD2 LEU 46 3HD2 LEU 46 -6.176 2.169 5.406 330 H MET 47 H MET 47 -8.957 2.848 2.548 331 HA MET 47 HA MET 47 -6.760 4.124 1.058 332 1HB MET 47 1HB MET 47 -7.461 1.555 1.374 333 2HB MET 47 2HB MET 47 -8.372 1.817 -0.104 334 1HG MET 47 1HG MET 47 -5.630 2.877 -0.468 335 2HG MET 47 2HG MET 47 -5.599 1.184 0.059 336 1HE MET 47 1HE MET 47 -4.327 1.076 -2.302 337 2HE MET 47 2HE MET 47 -5.167 -0.402 -1.750 338 3HE MET 47 3HE MET 47 -5.279 0.089 -3.465 339 H LYS 48 H LYS 48 -10.232 3.727 0.294 340 HA LYS 48 HA LYS 48 -10.078 4.710 -2.540 341 1HB LYS 48 1HB LYS 48 -12.232 4.072 -2.690 342 2HB LYS 48 2HB LYS 48 -11.859 3.113 -1.291 343 1HG LYS 48 1HG LYS 48 -12.887 5.064 0.168 344 2HG LYS 48 2HG LYS 48 -13.284 5.875 -1.314 345 1HD LYS 48 1HD LYS 48 -14.412 3.330 -1.771 346 2HD LYS 48 2HD LYS 48 -14.734 3.531 -0.080 347 1HE LYS 48 1HE LYS 48 -15.807 5.885 -0.711 348 2HE LYS 48 2HE LYS 48 -15.592 5.423 -2.391 349 1HZ LYS 48 1HZ LYS 48 -16.931 3.281 -0.843 350 2HZ LYS 48 2HZ LYS 48 -17.834 4.660 -1.005 351 3HZ LYS 48 3HZ LYS 48 -17.259 3.834 -2.290 352 H ASP 49 H ASP 49 -10.447 6.148 0.622 353 HA ASP 49 HA ASP 49 -10.706 8.990 -0.372 354 1HB ASP 49 1HB ASP 49 -11.399 8.376 1.958 355 2HB ASP 49 2HB ASP 49 -9.750 7.917 2.360 356 H SER 50 H SER 50 -7.956 7.150 0.993 357 HA SER 50 HA SER 50 -6.002 9.149 0.872 358 1HB SER 50 1HB SER 50 -4.505 7.524 1.546 359 2HB SER 50 2HB SER 50 -5.957 6.538 1.680 360 HG SER 50 HG SER 50 -3.890 5.966 0.304 361 H ASP 51 H ASP 51 -7.118 7.322 -1.883 362 HA ASP 51 HA ASP 51 -4.991 7.918 -3.856 363 1HB ASP 51 1HB ASP 51 -7.051 6.206 -3.886 364 2HB ASP 51 2HB ASP 51 -7.937 7.543 -4.606 365 H LYS 52 H LYS 52 -6.204 9.170 -5.949 366 HA LYS 52 HA LYS 52 -7.632 11.670 -4.971 367 1HB LYS 52 1HB LYS 52 -5.540 11.629 -7.214 368 2HB LYS 52 2HB LYS 52 -6.562 13.000 -6.913 369 1HG LYS 52 1HG LYS 52 -4.746 13.746 -5.622 370 2HG LYS 52 2HG LYS 52 -5.432 12.738 -4.387 371 1HD LYS 52 1HD LYS 52 -3.655 11.385 -4.283 372 2HD LYS 52 2HD LYS 52 -3.763 10.921 -5.949 373 1HE LYS 52 1HE LYS 52 -2.357 13.559 -5.040 374 2HE LYS 52 2HE LYS 52 -1.519 12.009 -5.065 375 1HZ LYS 52 1HZ LYS 52 -2.971 12.647 -7.583 376 2HZ LYS 52 2HZ LYS 52 -1.756 13.630 -7.330 377 3HZ LYS 52 3HZ LYS 52 -1.479 12.001 -7.439 378 H ASN 53 H ASN 53 -6.826 10.325 -8.181 379 HA ASN 53 HA ASN 53 -9.390 11.209 -9.254 380 1HB ASN 53 1HB ASN 53 -8.442 10.741 -11.405 381 2HB ASN 53 2HB ASN 53 -7.058 11.106 -10.412 382 1HD2 ASN 53 1HD2 ASN 53 -7.186 7.569 -12.266 383 2HD2 ASN 53 2HD2 ASN 53 -8.456 8.852 -12.503 384 H ASN 54 H ASN 54 -9.185 8.625 -7.402 385 HA ASN 54 HA ASN 54 -10.487 6.642 -7.036 386 1HB ASN 54 1HB ASN 54 -12.202 8.103 -9.139 387 2HB ASN 54 2HB ASN 54 -12.600 6.462 -8.715 388 1HD2 ASN 54 1HD2 ASN 54 -14.544 7.755 -6.084 389 2HD2 ASN 54 2HD2 ASN 54 -14.393 6.645 -7.518 390 H ASP 55 H ASP 55 -8.232 6.776 -8.980 391 HA ASP 55 HA ASP 55 -8.665 3.951 -10.086 392 1HB ASP 55 1HB ASP 55 -6.750 6.178 -10.786 393 2HB ASP 55 2HB ASP 55 -6.048 4.566 -10.787 394 H GLY 56 H GLY 56 -8.893 3.135 -7.825 395 1HA GLY 56 1HA GLY 56 -7.380 4.091 -5.512 396 2HA GLY 56 2HA GLY 56 -8.217 2.536 -5.592 397 H ARG 57 H ARG 57 -6.675 1.328 -7.670 398 HA ARG 57 HA ARG 57 -4.572 0.011 -6.380 399 1HB ARG 57 1HB ARG 57 -4.891 -1.094 -8.322 400 2HB ARG 57 2HB ARG 57 -5.475 0.345 -9.158 401 1HG ARG 57 1HG ARG 57 -2.989 1.066 -9.457 402 2HG ARG 57 2HG ARG 57 -2.510 -0.484 -8.769 403 1HD ARG 57 1HD ARG 57 -4.441 -0.435 -11.173 404 2HD ARG 57 2HD ARG 57 -2.720 -0.152 -11.428 405 HE ARG 57 HE ARG 57 -2.087 -2.358 -10.509 406 1HH1 ARG 57 2HH1 ARG 57 -5.533 -2.026 -10.683 407 2HH1 ARG 57 1HH1 ARG 57 -5.767 -3.837 -10.452 408 1HH2 ARG 57 1HH2 ARG 57 -2.377 -4.321 -10.362 409 2HH2 ARG 57 2HH2 ARG 57 -4.044 -5.087 -10.346 410 H ILE 58 H ILE 58 -2.520 0.251 -5.822 411 HA ILE 58 HA ILE 58 -1.545 3.127 -5.816 412 HB ILE 58 HB ILE 58 -1.245 0.852 -3.800 413 1HG1 ILE 58 1HG1 ILE 58 -2.595 3.629 -3.616 414 2HG1 ILE 58 2HG1 ILE 58 -3.405 2.088 -3.669 415 1HG2 ILE 58 1HG2 ILE 58 0.965 2.091 -3.830 416 2HG2 ILE 58 2HG2 ILE 58 0.122 3.635 -3.591 417 3HG2 ILE 58 3HG2 ILE 58 0.109 2.390 -2.320 418 1HD1 ILE 58 1HD1 ILE 58 -2.408 1.398 -1.442 419 2HD1 ILE 58 2HD1 ILE 58 -1.678 3.019 -1.297 420 3HD1 ILE 58 3HD1 ILE 58 -3.446 2.844 -1.356 421 H ASP 59 H ASP 59 0.461 3.738 -6.483 422 HA ASP 59 HA ASP 59 2.634 1.620 -6.875 423 1HB ASP 59 1HB ASP 59 3.604 3.181 -8.571 424 2HB ASP 59 2HB ASP 59 1.947 2.740 -8.956 425 H PHE 60 H PHE 60 4.925 2.962 -6.887 426 HA PHE 60 HA PHE 60 5.505 2.457 -4.079 427 1HB PHE 60 1HB PHE 60 7.038 2.183 -6.180 428 2HB PHE 60 2HB PHE 60 7.409 3.868 -6.039 429 HD1 PHE 60 HD1 PHE 60 7.249 3.402 -2.693 430 HD2 PHE 60 HD2 PHE 60 9.556 1.871 -5.977 431 HE1 PHE 60 HE1 PHE 60 9.136 2.947 -1.167 432 HE2 PHE 60 HE2 PHE 60 11.430 1.426 -4.455 433 HZ PHE 60 HZ PHE 60 11.261 2.039 -2.064 434 H ASP 61 H ASP 61 5.149 5.528 -5.769 435 HA ASP 61 HA ASP 61 5.939 7.493 -3.760 436 1HB ASP 61 1HB ASP 61 3.447 7.872 -5.615 437 2HB ASP 61 2HB ASP 61 4.787 8.928 -5.231 438 H GLU 62 H GLU 62 2.584 6.674 -4.454 439 HA GLU 62 HA GLU 62 1.177 7.388 -2.061 440 1HB GLU 62 1HB GLU 62 0.679 4.866 -3.705 441 2HB GLU 62 2HB GLU 62 -0.432 5.555 -2.561 442 1HG GLU 62 1HG GLU 62 0.493 7.288 -4.933 443 2HG GLU 62 2HG GLU 62 -0.697 6.031 -5.210 444 H PHE 63 H PHE 63 3.326 4.584 -2.407 445 HA PHE 63 HA PHE 63 2.549 3.159 0.114 446 1HB PHE 63 1HB PHE 63 3.820 2.174 -1.920 447 2HB PHE 63 2HB PHE 63 5.229 3.030 -1.391 448 HD1 PHE 63 HD1 PHE 63 3.078 0.098 -0.584 449 HD2 PHE 63 HD2 PHE 63 6.565 2.354 0.545 450 HE1 PHE 63 HE1 PHE 63 3.860 -1.774 0.808 451 HE2 PHE 63 HE2 PHE 63 7.342 0.471 1.886 452 HZ PHE 63 HZ PHE 63 5.956 -1.566 2.108 453 H LEU 64 H LEU 64 5.244 5.352 -0.712 454 HA LEU 64 HA LEU 64 6.446 5.541 1.912 455 1HB LEU 64 1HB LEU 64 6.454 7.530 -0.415 456 2HB LEU 64 2HB LEU 64 7.402 7.798 1.028 457 HG LEU 64 HG LEU 64 7.744 5.210 -0.580 458 1HD1 LEU 64 1HD1 LEU 64 9.069 7.946 -1.166 459 2HD1 LEU 64 2HD1 LEU 64 9.620 6.384 -1.830 460 3HD1 LEU 64 3HD1 LEU 64 8.008 6.984 -2.231 461 1HD2 LEU 64 1HD2 LEU 64 9.653 6.804 1.285 462 2HD2 LEU 64 2HD2 LEU 64 8.915 5.209 1.615 463 3HD2 LEU 64 3HD2 LEU 64 10.121 5.373 0.333 464 H LYS 65 H LYS 65 3.849 7.568 0.585 465 HA LYS 65 HA LYS 65 3.599 9.305 3.000 466 1HB LYS 65 1HB LYS 65 2.279 10.521 1.594 467 2HB LYS 65 2HB LYS 65 3.130 9.596 0.371 468 1HG LYS 65 1HG LYS 65 1.031 8.038 0.291 469 2HG LYS 65 2HG LYS 65 0.258 9.146 1.440 470 1HD LYS 65 1HD LYS 65 1.560 10.350 -1.024 471 2HD LYS 65 2HD LYS 65 0.032 9.503 -1.283 472 1HE LYS 65 1HE LYS 65 -1.197 11.202 -0.070 473 2HE LYS 65 2HE LYS 65 0.211 11.642 0.914 474 1HZ LYS 65 1HZ LYS 65 1.211 12.266 -1.530 475 2HZ LYS 65 2HZ LYS 65 -0.331 12.484 -1.929 476 3HZ LYS 65 3HZ LYS 65 0.342 13.382 -0.720 477 H MET 66 H MET 66 1.542 6.604 1.733 478 HA MET 66 HA MET 66 -0.178 6.094 3.867 479 1HB MET 66 1HB MET 66 0.067 4.748 1.722 480 2HB MET 66 2HB MET 66 1.454 3.931 2.410 481 1HG MET 66 1HG MET 66 -0.629 3.568 4.372 482 2HG MET 66 2HG MET 66 -1.373 3.253 2.793 483 1HE MET 66 1HE MET 66 0.416 2.047 0.843 484 2HE MET 66 2HE MET 66 0.431 0.312 1.278 485 3HE MET 66 3HE MET 66 -1.087 1.252 1.406 486 H MET 67 H MET 67 3.137 4.707 3.843 487 HA MET 67 HA MET 67 3.086 3.590 6.555 488 1HB MET 67 1HB MET 67 4.790 3.192 4.529 489 2HB MET 67 2HB MET 67 5.664 4.551 5.208 490 1HG MET 67 1HG MET 67 6.775 2.812 6.301 491 2HG MET 67 2HG MET 67 5.544 3.180 7.525 492 1HE MET 67 1HE MET 67 7.376 0.849 6.935 493 2HE MET 67 2HE MET 67 6.457 -0.681 7.083 494 3HE MET 67 3HE MET 67 6.951 -0.090 5.467 495 H GLU 68 H GLU 68 4.706 6.578 5.412 496 HA GLU 68 HA GLU 68 5.558 7.290 8.130 497 1HB GLU 68 1HB GLU 68 7.047 8.714 7.196 498 2HB GLU 68 2HB GLU 68 6.787 7.621 5.871 499 1HG GLU 68 1HG GLU 68 6.612 9.566 4.614 500 2HG GLU 68 2HG GLU 68 4.947 9.605 5.166 501 H GLY 69 H GLY 69 3.076 8.718 6.052 502 1HA GLY 69 1HA GLY 69 0.911 9.464 6.945 503 2HA GLY 69 2HA GLY 69 1.660 9.681 8.531 504 H VAL 70 H VAL 70 0.593 11.650 8.823 505 HA VAL 70 HA VAL 70 1.093 13.939 6.830 506 HB VAL 70 HB VAL 70 -1.340 13.285 7.329 507 1HG1 VAL 70 1HG1 VAL 70 -0.761 14.668 10.046 508 2HG1 VAL 70 2HG1 VAL 70 -2.386 14.297 9.414 509 3HG1 VAL 70 3HG1 VAL 70 -1.279 12.981 9.813 510 1HG2 VAL 70 1HG2 VAL 70 -0.748 15.521 6.308 511 2HG2 VAL 70 2HG2 VAL 70 -2.148 15.659 7.360 512 3HG2 VAL 70 3HG2 VAL 70 -0.551 16.236 7.923 513 H GLN 71 H GLN 71 2.567 15.376 7.447 514 HA GLN 71 HA GLN 71 3.580 15.575 10.239 515 1HB GLN 71 1HB GLN 71 4.756 15.781 7.809 516 2HB GLN 71 2HB GLN 71 4.482 17.500 8.081 517 1HG GLN 71 1HG GLN 71 6.764 16.554 8.866 518 2HG GLN 71 2HG GLN 71 5.928 17.523 10.064 519 1HE2 GLN 71 1HE2 GLN 71 6.082 14.909 12.408 520 2HE2 GLN 71 2HE2 GLN 71 5.767 16.687 12.011 521 1HN NH2 72 1HN NH2 72 0.684 16.634 9.415 522 2HN NH2 72 2HN NH2 72 0.619 18.231 10.209 No H/Q in entry = 522 Start of MODEL 34 1 1H ACE 1 1HH3 ACE 1 21.955 7.558 -4.979 2 2H ACE 1 2HH3 ACE 1 22.072 9.166 -5.779 3 3H ACE 1 3HH3 ACE 1 22.806 8.895 -4.173 4 H LYS 2 H LYS 2 19.566 8.831 -5.766 5 HA LYS 2 HA LYS 2 18.237 9.669 -3.233 6 1HB LYS 2 1HB LYS 2 17.619 10.222 -5.739 7 2HB LYS 2 2HB LYS 2 16.723 8.718 -5.739 8 1HG LYS 2 1HG LYS 2 15.545 9.799 -3.510 9 2HG LYS 2 2HG LYS 2 16.255 11.290 -4.074 10 1HD LYS 2 1HD LYS 2 13.983 9.664 -5.278 11 2HD LYS 2 2HD LYS 2 14.104 11.411 -5.062 12 1HE LYS 2 1HE LYS 2 14.394 11.324 -7.370 13 2HE LYS 2 2HE LYS 2 16.102 11.245 -6.901 14 1HZ LYS 2 1HZ LYS 2 14.640 8.598 -7.137 15 2HZ LYS 2 2HZ LYS 2 14.979 9.399 -8.500 16 3HZ LYS 2 3HZ LYS 2 16.191 8.967 -7.608 17 H SER 3 H SER 3 18.114 8.267 -1.645 18 HA SER 3 HA SER 3 18.510 5.384 -2.059 19 1HB SER 3 1HB SER 3 19.456 7.010 -0.269 20 2HB SER 3 2HB SER 3 17.977 6.776 0.631 21 HG SER 3 HG SER 3 20.137 5.181 0.418 22 H GLU 4 H GLU 4 16.708 4.591 -3.126 23 HA GLU 4 HA GLU 4 14.405 3.848 -1.278 24 1HB GLU 4 1HB GLU 4 13.357 3.676 -3.944 25 2HB GLU 4 2HB GLU 4 12.751 4.401 -2.475 26 1HG GLU 4 1HG GLU 4 14.777 6.112 -3.944 27 2HG GLU 4 2HG GLU 4 13.293 5.804 -4.839 28 H GLU 5 H GLU 5 16.852 2.560 -1.564 29 HA GLU 5 HA GLU 5 16.877 0.267 -3.236 30 1HB GLU 5 1HB GLU 5 18.635 1.304 -1.538 31 2HB GLU 5 2HB GLU 5 18.074 0.058 -0.464 32 1HG GLU 5 1HG GLU 5 20.200 -0.508 -1.823 33 2HG GLU 5 2HG GLU 5 18.950 -1.737 -1.886 34 H GLU 6 H GLU 6 16.094 -0.175 0.222 35 HA GLU 6 HA GLU 6 14.987 -2.826 -0.259 36 1HB GLU 6 1HB GLU 6 16.152 -2.573 1.726 37 2HB GLU 6 2HB GLU 6 15.351 -1.102 2.189 38 1HG GLU 6 1HG GLU 6 13.826 -2.255 3.490 39 2HG GLU 6 2HG GLU 6 13.359 -3.308 2.167 40 H LEU 7 H LEU 7 13.298 0.237 0.188 41 HA LEU 7 HA LEU 7 10.540 -0.868 0.046 42 1HB LEU 7 1HB LEU 7 11.687 1.920 -0.493 43 2HB LEU 7 2HB LEU 7 9.985 1.573 -0.675 44 HG LEU 7 HG LEU 7 10.366 0.632 1.908 45 1HD1 LEU 7 1HD1 LEU 7 12.753 1.331 1.962 46 2HD1 LEU 7 2HD1 LEU 7 12.313 3.013 1.572 47 3HD1 LEU 7 3HD1 LEU 7 11.809 2.282 3.118 48 1HD2 LEU 7 1HD2 LEU 7 9.718 3.557 1.073 49 2HD2 LEU 7 2HD2 LEU 7 8.551 2.223 1.288 50 3HD2 LEU 7 3HD2 LEU 7 9.419 2.859 2.688 51 H ALA 8 H ALA 8 12.830 0.137 -2.530 52 HA ALA 8 HA ALA 8 11.201 -0.661 -4.776 53 1HB ALA 8 1HB ALA 8 14.267 -0.791 -4.374 54 2HB ALA 8 2HB ALA 8 13.437 -0.888 -5.940 55 3HB ALA 8 3HB ALA 8 13.325 0.592 -4.979 56 H ASN 9 H ASN 9 13.806 -2.815 -3.482 57 HA ASN 9 HA ASN 9 13.050 -5.386 -4.214 58 1HB ASN 9 1HB ASN 9 13.792 -4.458 -1.354 59 2HB ASN 9 2HB ASN 9 13.711 -6.136 -1.814 60 1HD2 ASN 9 1HD2 ASN 9 17.169 -5.768 -2.491 61 2HD2 ASN 9 2HD2 ASN 9 15.890 -6.468 -1.400 62 H ALA 10 H ALA 10 11.439 -3.827 -1.414 63 HA ALA 10 HA ALA 10 9.424 -5.927 -0.896 64 1HB ALA 10 1HB ALA 10 10.194 -4.223 0.767 65 2HB ALA 10 2HB ALA 10 9.428 -2.915 -0.171 66 3HB ALA 10 3HB ALA 10 8.430 -4.176 0.584 67 H PHE 11 H PHE 11 9.077 -2.801 -2.655 68 HA PHE 11 HA PHE 11 6.375 -3.083 -3.561 69 1HB PHE 11 1HB PHE 11 7.674 -0.992 -3.697 70 2HB PHE 11 2HB PHE 11 8.750 -1.665 -4.874 71 HD1 PHE 11 HD1 PHE 11 4.963 -1.448 -4.679 72 HD2 PHE 11 HD2 PHE 11 8.492 -0.644 -7.007 73 HE1 PHE 11 HE1 PHE 11 3.567 -0.625 -6.531 74 HE2 PHE 11 HE2 PHE 11 7.079 0.233 -8.823 75 HZ PHE 11 HZ PHE 11 4.612 0.165 -8.617 76 H ARG 12 H ARG 12 9.262 -4.048 -5.471 77 HA ARG 12 HA ARG 12 7.683 -5.442 -7.514 78 1HB ARG 12 1HB ARG 12 9.813 -6.140 -8.492 79 2HB ARG 12 2HB ARG 12 9.883 -4.446 -8.023 80 1HG ARG 12 1HG ARG 12 11.940 -5.096 -7.157 81 2HG ARG 12 2HG ARG 12 10.971 -5.491 -5.731 82 1HD ARG 12 1HD ARG 12 11.072 -7.832 -6.101 83 2HD ARG 12 2HD ARG 12 11.266 -7.658 -7.867 84 HE ARG 12 HE ARG 12 13.495 -6.988 -5.853 85 1HH1 ARG 12 2HH1 ARG 12 12.553 -8.122 -8.988 86 2HH1 ARG 12 1HH1 ARG 12 14.285 -8.438 -9.484 87 1HH2 ARG 12 1HH2 ARG 12 15.423 -7.333 -6.429 88 2HH2 ARG 12 2HH2 ARG 12 15.833 -8.017 -8.070 89 H ILE 13 H ILE 13 9.092 -6.566 -4.511 90 HA ILE 13 HA ILE 13 8.932 -9.509 -5.020 91 HB ILE 13 HB ILE 13 9.254 -7.859 -2.465 92 1HG1 ILE 13 1HG1 ILE 13 11.262 -8.337 -4.184 93 2HG1 ILE 13 2HG1 ILE 13 11.519 -8.373 -2.461 94 1HG2 ILE 13 1HG2 ILE 13 7.959 -9.926 -1.811 95 2HG2 ILE 13 2HG2 ILE 13 9.155 -10.963 -2.624 96 3HG2 ILE 13 3HG2 ILE 13 9.593 -10.028 -1.181 97 1HD1 ILE 13 1HD1 ILE 13 11.346 -10.883 -2.385 98 2HD1 ILE 13 2HD1 ILE 13 11.147 -10.916 -4.155 99 3HD1 ILE 13 3HD1 ILE 13 12.655 -10.309 -3.443 100 H PHE 14 H PHE 14 6.770 -7.047 -3.709 101 HA PHE 14 HA PHE 14 4.725 -8.776 -2.498 102 1HB PHE 14 1HB PHE 14 4.690 -5.884 -3.549 103 2HB PHE 14 2HB PHE 14 3.219 -6.628 -3.017 104 HD1 PHE 14 HD1 PHE 14 5.282 -8.226 -0.801 105 HD2 PHE 14 HD2 PHE 14 3.999 -4.221 -1.673 106 HE1 PHE 14 HE1 PHE 14 5.653 -7.594 1.550 107 HE2 PHE 14 HE2 PHE 14 4.393 -3.589 0.674 108 HZ PHE 14 HZ PHE 14 5.227 -5.275 2.291 109 H ASP 15 H ASP 15 5.235 -7.719 -5.806 110 HA ASP 15 HA ASP 15 2.494 -8.001 -6.737 111 1HB ASP 15 1HB ASP 15 4.178 -6.435 -7.694 112 2HB ASP 15 2HB ASP 15 5.134 -7.769 -8.320 113 H LYS 16 H LYS 16 1.362 -9.503 -7.794 114 HA LYS 16 HA LYS 16 2.216 -12.384 -7.635 115 1HB LYS 16 1HB LYS 16 -0.386 -11.141 -8.714 116 2HB LYS 16 2HB LYS 16 -0.078 -12.855 -8.701 117 1HG LYS 16 1HG LYS 16 0.335 -11.998 -5.969 118 2HG LYS 16 2HG LYS 16 -0.999 -11.008 -6.546 119 1HD LYS 16 1HD LYS 16 -2.491 -12.735 -6.450 120 2HD LYS 16 2HD LYS 16 -1.429 -13.764 -7.409 121 1HE LYS 16 1HE LYS 16 -1.497 -15.095 -5.535 122 2HE LYS 16 2HE LYS 16 -0.057 -14.140 -5.125 123 1HZ LYS 16 1HZ LYS 16 -2.725 -12.962 -4.381 124 2HZ LYS 16 2HZ LYS 16 -2.237 -14.251 -3.514 125 3HZ LYS 16 3HZ LYS 16 -1.321 -12.887 -3.513 126 H ASN 17 H ASN 17 1.075 -10.234 -10.271 127 HA ASN 17 HA ASN 17 2.032 -12.106 -12.345 128 1HB ASN 17 1HB ASN 17 -0.103 -10.476 -12.203 129 2HB ASN 17 2HB ASN 17 0.932 -9.353 -13.043 130 1HD2 ASN 17 1HD2 ASN 17 -0.699 -10.782 -15.846 131 2HD2 ASN 17 2HD2 ASN 17 -0.990 -9.585 -14.541 132 H ALA 18 H ALA 18 3.175 -8.895 -11.315 133 HA ALA 18 HA ALA 18 5.504 -8.174 -11.270 134 1HB ALA 18 1HB ALA 18 6.054 -10.637 -11.259 135 2HB ALA 18 2HB ALA 18 5.949 -10.663 -13.034 136 3HB ALA 18 3HB ALA 18 7.218 -9.710 -12.246 137 H ASP 19 H ASP 19 3.599 -7.068 -13.186 138 HA ASP 19 HA ASP 19 5.526 -6.004 -15.267 139 1HB ASP 19 1HB ASP 19 2.878 -6.400 -15.449 140 2HB ASP 19 2HB ASP 19 2.762 -4.804 -14.721 141 H GLY 20 H GLY 20 5.806 -5.655 -12.203 142 1HA GLY 20 1HA GLY 20 6.958 -4.011 -10.841 143 2HA GLY 20 2HA GLY 20 6.955 -2.937 -12.244 144 H TYR 21 H TYR 21 3.851 -4.018 -11.188 145 HA TYR 21 HA TYR 21 3.223 -1.235 -10.013 146 1HB TYR 21 1HB TYR 21 1.377 -3.066 -11.678 147 2HB TYR 21 2HB TYR 21 0.838 -1.642 -10.839 148 HD1 TYR 21 HD1 TYR 21 3.542 -2.518 -13.383 149 HD2 TYR 21 HD2 TYR 21 0.556 0.294 -12.087 150 HE1 TYR 21 HE1 TYR 21 3.987 -1.101 -15.361 151 HE2 TYR 21 HE2 TYR 21 1.000 1.671 -14.082 152 HH TYR 21 HH TYR 21 2.506 0.683 -16.713 153 H ILE 22 H ILE 22 1.597 -1.140 -8.350 154 HA ILE 22 HA ILE 22 0.825 -3.765 -6.974 155 HB ILE 22 HB ILE 22 0.449 -0.899 -5.946 156 1HG1 ILE 22 1HG1 ILE 22 2.897 -2.330 -5.967 157 2HG1 ILE 22 2HG1 ILE 22 2.516 -0.926 -5.007 158 1HG2 ILE 22 1HG2 ILE 22 -1.283 -2.480 -4.983 159 2HG2 ILE 22 2HG2 ILE 22 -0.004 -3.587 -4.448 160 3HG2 ILE 22 3HG2 ILE 22 -0.169 -1.964 -3.730 161 1HD1 ILE 22 1HD1 ILE 22 1.672 -2.392 -3.101 162 2HD1 ILE 22 2HD1 ILE 22 2.249 -3.817 -4.001 163 3HD1 ILE 22 3HD1 ILE 22 3.404 -2.575 -3.475 164 H ASP 23 H ASP 23 -1.087 -4.626 -7.246 165 HA ASP 23 HA ASP 23 -3.311 -3.076 -8.630 166 1HB ASP 23 1HB ASP 23 -4.160 -5.547 -9.047 167 2HB ASP 23 2HB ASP 23 -2.773 -4.948 -9.946 168 H ILE 24 H ILE 24 -5.561 -3.652 -8.118 169 HA ILE 24 HA ILE 24 -6.198 -3.271 -5.195 170 HB ILE 24 HB ILE 24 -7.510 -2.395 -7.393 171 1HG1 ILE 24 1HG1 ILE 24 -8.082 -1.487 -5.199 172 2HG1 ILE 24 2HG1 ILE 24 -9.561 -1.968 -5.985 173 1HG2 ILE 24 1HG2 ILE 24 -8.292 -4.679 -8.175 174 2HG2 ILE 24 2HG2 ILE 24 -9.129 -4.935 -6.631 175 3HG2 ILE 24 3HG2 ILE 24 -9.668 -3.670 -7.764 176 1HD1 ILE 24 1HD1 ILE 24 -9.622 -4.139 -4.657 177 2HD1 ILE 24 2HD1 ILE 24 -8.235 -3.548 -3.709 178 3HD1 ILE 24 3HD1 ILE 24 -9.773 -2.660 -3.673 179 H GLU 25 H GLU 25 -5.658 -5.977 -7.263 180 HA GLU 25 HA GLU 25 -7.043 -7.976 -5.509 181 1HB GLU 25 1HB GLU 25 -6.875 -8.470 -7.852 182 2HB GLU 25 2HB GLU 25 -5.148 -8.284 -7.877 183 1HG GLU 25 1HG GLU 25 -4.745 -10.461 -7.014 184 2HG GLU 25 2HG GLU 25 -6.212 -10.496 -6.052 185 H GLU 26 H GLU 26 -3.845 -6.562 -5.632 186 HA GLU 26 HA GLU 26 -2.518 -8.702 -3.994 187 1HB GLU 26 1HB GLU 26 -0.503 -7.807 -4.531 188 2HB GLU 26 2HB GLU 26 -1.442 -7.351 -5.921 189 1HG GLU 26 1HG GLU 26 -0.173 -5.378 -5.482 190 2HG GLU 26 2HG GLU 26 -1.707 -4.966 -4.738 191 H LEU 27 H LEU 27 -3.470 -5.336 -3.420 192 HA LEU 27 HA LEU 27 -2.515 -4.695 -0.792 193 1HB LEU 27 1HB LEU 27 -3.805 -3.157 -2.205 194 2HB LEU 27 2HB LEU 27 -5.245 -4.133 -2.076 195 HG LEU 27 HG LEU 27 -5.146 -1.963 -0.652 196 1HD1 LEU 27 1HD1 LEU 27 -6.899 -3.718 -0.369 197 2HD1 LEU 27 2HD1 LEU 27 -5.868 -4.612 0.784 198 3HD1 LEU 27 3HD1 LEU 27 -6.477 -2.978 1.174 199 1HD2 LEU 27 1HD2 LEU 27 -3.400 -3.739 1.211 200 2HD2 LEU 27 2HD2 LEU 27 -2.866 -2.251 0.373 201 3HD2 LEU 27 3HD2 LEU 27 -4.114 -2.154 1.620 202 H GLY 28 H GLY 28 -5.804 -6.026 -1.179 203 1HA GLY 28 1HA GLY 28 -6.375 -6.490 1.537 204 2HA GLY 28 2HA GLY 28 -7.141 -7.454 0.268 205 H GLU 29 H GLU 29 -5.053 -9.035 -0.612 206 HA GLU 29 HA GLU 29 -4.916 -11.086 1.499 207 1HB GLU 29 1HB GLU 29 -5.214 -12.121 -0.470 208 2HB GLU 29 2HB GLU 29 -4.334 -10.949 -1.404 209 1HG GLU 29 1HG GLU 29 -2.837 -12.705 -1.706 210 2HG GLU 29 2HG GLU 29 -2.172 -12.194 -0.165 211 H ILE 30 H ILE 30 -2.511 -8.830 0.307 212 HA ILE 30 HA ILE 30 -0.194 -9.762 1.970 213 HB ILE 30 HB ILE 30 -0.836 -7.108 0.607 214 1HG1 ILE 30 1HG1 ILE 30 0.090 -8.890 -0.901 215 2HG1 ILE 30 2HG1 ILE 30 1.150 -7.513 -0.776 216 1HG2 ILE 30 1HG2 ILE 30 0.334 -6.511 2.759 217 2HG2 ILE 30 2HG2 ILE 30 1.651 -7.651 2.381 218 3HG2 ILE 30 3HG2 ILE 30 1.384 -6.196 1.381 219 1HD1 ILE 30 1HD1 ILE 30 1.708 -10.152 0.735 220 2HD1 ILE 30 2HD1 ILE 30 2.493 -9.568 -0.747 221 3HD1 ILE 30 3HD1 ILE 30 2.706 -8.676 0.773 222 H LEU 31 H LEU 31 -2.571 -7.099 2.409 223 HA LEU 31 HA LEU 31 -1.511 -6.277 5.064 224 1HB LEU 31 1HB LEU 31 -3.327 -4.730 5.199 225 2HB LEU 31 2HB LEU 31 -2.740 -4.711 3.554 226 HG LEU 31 HG LEU 31 -4.698 -6.200 2.853 227 1HD1 LEU 31 1HD1 LEU 31 -5.632 -5.695 5.759 228 2HD1 LEU 31 2HD1 LEU 31 -6.644 -6.363 4.450 229 3HD1 LEU 31 3HD1 LEU 31 -5.226 -7.260 5.000 230 1HD2 LEU 31 1HD2 LEU 31 -5.407 -3.483 4.175 231 2HD2 LEU 31 2HD2 LEU 31 -4.914 -3.751 2.479 232 3HD2 LEU 31 3HD2 LEU 31 -6.465 -4.376 3.051 233 H ARG 32 H ARG 32 -3.799 -8.756 4.148 234 HA ARG 32 HA ARG 32 -4.533 -9.349 7.007 235 1HB ARG 32 1HB ARG 32 -5.875 -9.477 4.723 236 2HB ARG 32 2HB ARG 32 -5.128 -11.061 4.527 237 1HG ARG 32 1HG ARG 32 -7.314 -11.402 5.550 238 2HG ARG 32 2HG ARG 32 -6.115 -11.704 6.820 239 1HD ARG 32 1HD ARG 32 -7.567 -10.279 8.017 240 2HD ARG 32 2HD ARG 32 -6.437 -9.070 7.367 241 HE ARG 32 HE ARG 32 -8.246 -8.202 6.033 242 1HH1 ARG 32 2HH1 ARG 32 -8.979 -11.533 6.694 243 2HH1 ARG 32 1HH1 ARG 32 -10.577 -11.433 5.815 244 1HH2 ARG 32 1HH2 ARG 32 -10.059 -8.124 5.063 245 2HH2 ARG 32 2HH2 ARG 32 -11.155 -9.579 4.975 246 H ALA 33 H ALA 33 -2.389 -10.745 4.543 247 HA ALA 33 HA ALA 33 -1.156 -12.680 6.573 248 1HB ALA 33 1HB ALA 33 -3.119 -13.746 5.473 249 2HB ALA 33 2HB ALA 33 -2.437 -13.413 3.857 250 3HB ALA 33 3HB ALA 33 -1.620 -14.541 4.961 251 H THR 34 H THR 34 0.821 -13.829 5.790 252 HA THR 34 HA THR 34 2.544 -12.086 4.024 253 HB THR 34 HB THR 34 3.569 -12.539 6.867 254 HG1 THR 34 HG1 THR 34 1.798 -10.573 5.938 255 1HG2 THR 34 2HG2 THR 34 5.125 -11.770 4.958 256 2HG2 THR 34 3HG2 THR 34 4.126 -10.302 4.792 257 3HG2 THR 34 1HG2 THR 34 5.021 -10.593 6.293 258 H GLY 35 H GLY 35 4.483 -13.095 3.416 259 1HA GLY 35 1HA GLY 35 6.210 -14.777 3.158 260 2HA GLY 35 2HA GLY 35 5.763 -15.262 4.798 261 1HN NH2 36 1HN NH2 36 6.672 -17.372 3.669 262 2HN NH2 36 2HN NH2 36 5.405 -18.465 3.049 263 1H ACE 37 1HH3 ACE 37 -12.346 -3.910 13.996 264 2H ACE 37 2HH3 ACE 37 -10.603 -4.267 13.742 265 3H ACE 37 3HH3 ACE 37 -11.099 -2.963 14.851 266 H VAL 38 H VAL 38 -11.703 -3.907 11.452 267 HA VAL 38 HA VAL 38 -12.165 -1.142 10.538 268 HB VAL 38 HB VAL 38 -9.885 -0.635 10.572 269 1HG1 VAL 38 1HG1 VAL 38 -9.223 -3.428 9.382 270 2HG1 VAL 38 2HG1 VAL 38 -8.026 -2.135 9.622 271 3HG1 VAL 38 3HG1 VAL 38 -8.838 -2.855 11.015 272 1HG2 VAL 38 1HG2 VAL 38 -10.823 -0.101 8.280 273 2HG2 VAL 38 2HG2 VAL 38 -9.096 -0.509 8.173 274 3HG2 VAL 38 3HG2 VAL 38 -10.327 -1.705 7.697 275 H THR 39 H THR 39 -13.126 -1.172 8.439 276 HA THR 39 HA THR 39 -14.432 -3.898 7.978 277 HB THR 39 HB THR 39 -15.955 -2.164 6.465 278 HG1 THR 39 HG1 THR 39 -15.162 -0.280 7.136 279 1HG2 THR 39 2HG2 THR 39 -16.264 -2.762 9.492 280 2HG2 THR 39 3HG2 THR 39 -17.571 -2.217 8.412 281 3HG2 THR 39 1HG2 THR 39 -16.817 -3.805 8.161 282 H GLU 40 H GLU 40 -15.313 -3.651 5.406 283 HA GLU 40 HA GLU 40 -12.954 -3.560 3.556 284 1HB GLU 40 1HB GLU 40 -15.439 -4.803 3.467 285 2HB GLU 40 2HB GLU 40 -15.658 -3.526 2.310 286 1HG GLU 40 1HG GLU 40 -13.091 -5.108 1.937 287 2HG GLU 40 2HG GLU 40 -14.565 -6.034 1.719 288 H GLU 41 H GLU 41 -15.607 -1.340 4.323 289 HA GLU 41 HA GLU 41 -15.110 0.648 2.335 290 1HB GLU 41 1HB GLU 41 -16.294 1.072 5.115 291 2HB GLU 41 2HB GLU 41 -16.359 2.250 3.840 292 1HG GLU 41 1HG GLU 41 -17.560 -0.540 3.330 293 2HG GLU 41 2HG GLU 41 -18.452 0.613 4.306 294 H ASP 42 H ASP 42 -13.285 0.215 5.284 295 HA ASP 42 HA ASP 42 -11.827 2.756 5.165 296 1HB ASP 42 1HB ASP 42 -11.486 0.131 6.701 297 2HB ASP 42 2HB ASP 42 -10.227 1.353 6.804 298 H ILE 43 H ILE 43 -10.953 -0.456 3.939 299 HA ILE 43 HA ILE 43 -8.412 0.315 2.558 300 HB ILE 43 HB ILE 43 -10.369 -1.986 2.144 301 1HG1 ILE 43 1HG1 ILE 43 -7.377 -2.411 2.547 302 2HG1 ILE 43 2HG1 ILE 43 -8.276 -1.837 3.925 303 1HG2 ILE 43 1HG2 ILE 43 -9.590 -1.380 -0.181 304 2HG2 ILE 43 2HG2 ILE 43 -7.896 -1.414 0.349 305 3HG2 ILE 43 3HG2 ILE 43 -8.868 -2.907 0.307 306 1HD1 ILE 43 1HD1 ILE 43 -9.883 -3.787 3.790 307 2HD1 ILE 43 2HD1 ILE 43 -8.897 -4.482 2.477 308 3HD1 ILE 43 3HD1 ILE 43 -8.195 -4.256 4.093 309 H GLU 44 H GLU 44 -11.863 0.374 1.613 310 HA GLU 44 HA GLU 44 -11.309 1.100 -1.241 311 1HB GLU 44 1HB GLU 44 -13.679 0.339 0.349 312 2HB GLU 44 2HB GLU 44 -14.038 1.607 -0.784 313 1HG GLU 44 1HG GLU 44 -12.510 -0.674 -2.043 314 2HG GLU 44 2HG GLU 44 -14.048 -1.164 -1.356 315 H ASP 45 H ASP 45 -12.025 2.870 1.691 316 HA ASP 45 HA ASP 45 -12.348 5.547 0.366 317 1HB ASP 45 1HB ASP 45 -12.149 4.609 3.286 318 2HB ASP 45 2HB ASP 45 -12.149 6.321 2.883 319 H LEU 46 H LEU 46 -9.658 3.810 1.900 320 HA LEU 46 HA LEU 46 -7.570 5.855 1.321 321 1HB LEU 46 1HB LEU 46 -7.353 3.971 2.949 322 2HB LEU 46 2HB LEU 46 -7.341 2.803 1.649 323 HG LEU 46 HG LEU 46 -5.180 4.946 1.539 324 1HD1 LEU 46 1HD1 LEU 46 -5.430 2.912 3.799 325 2HD1 LEU 46 2HD1 LEU 46 -3.823 3.253 3.096 326 3HD1 LEU 46 3HD1 LEU 46 -4.769 4.573 3.798 327 1HD2 LEU 46 1HD2 LEU 46 -5.522 2.079 0.594 328 2HD2 LEU 46 2HD2 LEU 46 -4.663 3.456 -0.158 329 3HD2 LEU 46 3HD2 LEU 46 -3.895 2.562 1.155 330 H MET 47 H MET 47 -8.236 2.859 -0.566 331 HA MET 47 HA MET 47 -7.023 3.996 -3.021 332 1HB MET 47 1HB MET 47 -7.208 1.501 -2.320 333 2HB MET 47 2HB MET 47 -8.876 1.556 -2.867 334 1HG MET 47 1HG MET 47 -7.536 0.646 -4.707 335 2HG MET 47 2HG MET 47 -8.112 2.249 -5.198 336 1HE MET 47 1HE MET 47 -5.629 0.260 -6.099 337 2HE MET 47 2HE MET 47 -6.079 1.696 -7.063 338 3HE MET 47 3HE MET 47 -4.379 1.466 -6.561 339 H LYS 48 H LYS 48 -9.913 4.964 -1.665 340 HA LYS 48 HA LYS 48 -10.849 6.000 -4.361 341 1HB LYS 48 1HB LYS 48 -12.611 5.383 -2.933 342 2HB LYS 48 2HB LYS 48 -11.927 6.076 -1.496 343 1HG LYS 48 1HG LYS 48 -13.105 7.686 -3.900 344 2HG LYS 48 2HG LYS 48 -13.980 7.289 -2.455 345 1HD LYS 48 1HD LYS 48 -11.981 8.525 -1.159 346 2HD LYS 48 2HD LYS 48 -11.671 9.320 -2.667 347 1HE LYS 48 1HE LYS 48 -13.216 10.882 -1.797 348 2HE LYS 48 2HE LYS 48 -14.402 9.801 -2.507 349 1HZ LYS 48 1HZ LYS 48 -13.496 9.062 0.229 350 2HZ LYS 48 2HZ LYS 48 -14.414 10.353 0.187 351 3HZ LYS 48 3HZ LYS 48 -14.999 8.915 -0.389 352 H ASP 49 H ASP 49 -9.166 7.153 -1.449 353 HA ASP 49 HA ASP 49 -9.361 10.075 -2.200 354 1HB ASP 49 1HB ASP 49 -9.411 9.231 0.215 355 2HB ASP 49 2HB ASP 49 -7.715 8.791 0.073 356 H SER 50 H SER 50 -6.685 7.707 -1.989 357 HA SER 50 HA SER 50 -4.756 9.410 -3.535 358 1HB SER 50 1HB SER 50 -3.176 7.886 -2.855 359 2HB SER 50 2HB SER 50 -4.422 7.334 -1.739 360 HG SER 50 HG SER 50 -3.275 5.793 -3.260 361 H ASP 51 H ASP 51 -7.225 7.106 -4.371 362 HA ASP 51 HA ASP 51 -6.247 6.468 -7.075 363 1HB ASP 51 1HB ASP 51 -7.741 5.012 -5.620 364 2HB ASP 51 2HB ASP 51 -9.081 6.115 -5.902 365 H LYS 52 H LYS 52 -6.490 9.409 -6.614 366 HA LYS 52 HA LYS 52 -9.138 10.444 -7.588 367 1HB LYS 52 1HB LYS 52 -8.399 12.491 -6.928 368 2HB LYS 52 2HB LYS 52 -7.426 11.518 -5.869 369 1HG LYS 52 1HG LYS 52 -6.117 12.240 -8.540 370 2HG LYS 52 2HG LYS 52 -6.544 13.604 -7.557 371 1HD LYS 52 1HD LYS 52 -5.309 12.506 -5.558 372 2HD LYS 52 2HD LYS 52 -4.628 11.341 -6.645 373 1HE LYS 52 1HE LYS 52 -2.880 12.901 -6.843 374 2HE LYS 52 2HE LYS 52 -3.940 13.713 -7.993 375 1HZ LYS 52 1HZ LYS 52 -4.934 14.755 -5.624 376 2HZ LYS 52 2HZ LYS 52 -3.332 14.608 -5.229 377 3HZ LYS 52 3HZ LYS 52 -3.840 15.474 -6.516 378 H ASN 53 H ASN 53 -5.851 10.167 -8.944 379 HA ASN 53 HA ASN 53 -6.393 11.557 -11.425 380 1HB ASN 53 1HB ASN 53 -4.116 10.652 -12.144 381 2HB ASN 53 2HB ASN 53 -4.116 11.410 -10.576 382 1HD2 ASN 53 1HD2 ASN 53 -3.037 8.445 -8.944 383 2HD2 ASN 53 2HD2 ASN 53 -3.651 10.147 -8.748 384 H ASN 54 H ASN 54 -7.738 8.648 -10.714 385 HA ASN 54 HA ASN 54 -8.721 6.850 -11.964 386 1HB ASN 54 1HB ASN 54 -8.472 9.092 -14.067 387 2HB ASN 54 2HB ASN 54 -9.107 7.536 -14.522 388 1HD2 ASN 54 1HD2 ASN 54 -11.831 9.919 -13.346 389 2HD2 ASN 54 2HD2 ASN 54 -10.373 10.188 -14.401 390 H ASP 55 H ASP 55 -5.789 6.798 -11.662 391 HA ASP 55 HA ASP 55 -5.469 4.472 -13.637 392 1HB ASP 55 1HB ASP 55 -3.394 6.088 -12.050 393 2HB ASP 55 2HB ASP 55 -3.004 4.490 -12.671 394 H GLY 56 H GLY 56 -7.063 3.252 -12.520 395 1HA GLY 56 1HA GLY 56 -7.150 2.579 -9.627 396 2HA GLY 56 2HA GLY 56 -7.920 1.653 -10.921 397 H ARG 57 H ARG 57 -4.885 1.504 -12.057 398 HA ARG 57 HA ARG 57 -3.705 -0.287 -9.869 399 1HB ARG 57 1HB ARG 57 -3.347 -0.127 -12.894 400 2HB ARG 57 2HB ARG 57 -2.046 -0.803 -11.915 401 1HG ARG 57 1HG ARG 57 -3.249 -2.772 -12.325 402 2HG ARG 57 2HG ARG 57 -4.061 -2.287 -10.838 403 1HD ARG 57 1HD ARG 57 -5.823 -2.859 -12.446 404 2HD ARG 57 2HD ARG 57 -5.852 -1.107 -12.258 405 HE ARG 57 HE ARG 57 -3.965 -1.337 -14.347 406 1HH1 ARG 57 2HH1 ARG 57 -7.150 -2.679 -14.094 407 2HH1 ARG 57 1HH1 ARG 57 -7.409 -2.534 -15.910 408 1HH2 ARG 57 1HH2 ARG 57 -4.276 -1.211 -16.310 409 2HH2 ARG 57 2HH2 ARG 57 -5.817 -1.789 -17.115 410 H ILE 58 H ILE 58 -1.610 -0.036 -9.119 411 HA ILE 58 HA ILE 58 -0.862 2.903 -8.928 412 HB ILE 58 HB ILE 58 -0.551 0.588 -6.955 413 1HG1 ILE 58 1HG1 ILE 58 -2.182 3.214 -6.806 414 2HG1 ILE 58 2HG1 ILE 58 -2.835 1.615 -7.032 415 1HG2 ILE 58 1HG2 ILE 58 1.508 2.048 -6.733 416 2HG2 ILE 58 2HG2 ILE 58 0.488 3.487 -6.540 417 3HG2 ILE 58 3HG2 ILE 58 0.484 2.203 -5.309 418 1HD1 ILE 58 1HD1 ILE 58 -2.022 0.874 -4.748 419 2HD1 ILE 58 2HD1 ILE 58 -1.465 2.538 -4.435 420 3HD1 ILE 58 3HD1 ILE 58 -3.193 2.215 -4.702 421 H ASP 59 H ASP 59 1.225 3.668 -9.114 422 HA ASP 59 HA ASP 59 3.502 1.693 -9.640 423 1HB ASP 59 1HB ASP 59 4.668 3.560 -10.775 424 2HB ASP 59 2HB ASP 59 3.062 3.336 -11.454 425 H PHE 60 H PHE 60 5.681 3.302 -9.012 426 HA PHE 60 HA PHE 60 5.943 2.522 -6.134 427 1HB PHE 60 1HB PHE 60 7.736 2.379 -8.039 428 2HB PHE 60 2HB PHE 60 7.997 4.075 -7.807 429 HD1 PHE 60 HD1 PHE 60 7.245 2.264 -4.708 430 HD2 PHE 60 HD2 PHE 60 10.421 3.525 -7.310 431 HE1 PHE 60 HE1 PHE 60 8.881 1.769 -2.947 432 HE2 PHE 60 HE2 PHE 60 12.059 3.055 -5.522 433 HZ PHE 60 HZ PHE 60 11.296 2.111 -3.358 434 H ASP 61 H ASP 61 5.295 5.547 -7.767 435 HA ASP 61 HA ASP 61 5.933 7.539 -5.661 436 1HB ASP 61 1HB ASP 61 5.355 8.560 -7.731 437 2HB ASP 61 2HB ASP 61 4.166 7.341 -8.147 438 H GLU 62 H GLU 62 2.708 6.787 -6.660 439 HA GLU 62 HA GLU 62 0.938 6.858 -4.471 440 1HB GLU 62 1HB GLU 62 1.177 4.742 -6.642 441 2HB GLU 62 2HB GLU 62 -0.087 4.659 -5.453 442 1HG GLU 62 1HG GLU 62 -0.832 5.740 -7.634 443 2HG GLU 62 2HG GLU 62 -1.105 6.786 -6.248 444 H PHE 63 H PHE 63 3.506 4.461 -4.792 445 HA PHE 63 HA PHE 63 2.576 2.598 -2.609 446 1HB PHE 63 1HB PHE 63 4.206 2.040 -4.539 447 2HB PHE 63 2HB PHE 63 5.425 2.949 -3.711 448 HD1 PHE 63 HD1 PHE 63 3.055 0.125 -2.775 449 HD2 PHE 63 HD2 PHE 63 6.955 1.868 -2.247 450 HE1 PHE 63 HE1 PHE 63 3.755 -1.821 -1.480 451 HE2 PHE 63 HE2 PHE 63 7.639 -0.103 -0.941 452 HZ PHE 63 HZ PHE 63 6.082 -2.005 -0.656 453 H LEU 64 H LEU 64 5.289 4.921 -2.729 454 HA LEU 64 HA LEU 64 5.838 5.246 0.060 455 1HB LEU 64 1HB LEU 64 6.085 7.235 -2.250 456 2HB LEU 64 2HB LEU 64 6.623 7.659 -0.646 457 HG LEU 64 HG LEU 64 7.691 5.183 -2.133 458 1HD1 LEU 64 1HD1 LEU 64 8.805 8.075 -2.125 459 2HD1 LEU 64 2HD1 LEU 64 9.699 6.640 -2.695 460 3HD1 LEU 64 3HD1 LEU 64 8.213 7.126 -3.516 461 1HD2 LEU 64 1HD2 LEU 64 8.786 6.761 0.310 462 2HD2 LEU 64 2HD2 LEU 64 8.173 5.082 0.304 463 3HD2 LEU 64 3HD2 LEU 64 9.671 5.477 -0.551 464 H LYS 65 H LYS 65 3.338 7.074 -1.752 465 HA LYS 65 HA LYS 65 2.163 8.464 0.541 466 1HB LYS 65 1HB LYS 65 1.560 7.714 -2.296 467 2HB LYS 65 2HB LYS 65 0.115 8.046 -1.360 468 1HG LYS 65 1HG LYS 65 2.036 10.229 -0.907 469 2HG LYS 65 2HG LYS 65 2.020 9.861 -2.642 470 1HD LYS 65 1HD LYS 65 -0.190 10.433 -2.957 471 2HD LYS 65 2HD LYS 65 -0.727 9.886 -1.366 472 1HE LYS 65 1HE LYS 65 0.994 12.433 -1.547 473 2HE LYS 65 2HE LYS 65 -0.656 12.510 -2.189 474 1HZ LYS 65 1HZ LYS 65 -1.366 11.412 0.098 475 2HZ LYS 65 2HZ LYS 65 0.106 11.870 0.681 476 3HZ LYS 65 3HZ LYS 65 -0.967 12.969 0.137 477 H MET 66 H MET 66 1.501 5.228 -0.799 478 HA MET 66 HA MET 66 -0.784 4.600 0.871 479 1HB MET 66 1HB MET 66 -0.632 3.383 -1.141 480 2HB MET 66 2HB MET 66 1.072 3.031 -0.943 481 1HG MET 66 1HG MET 66 0.733 1.063 0.206 482 2HG MET 66 2HG MET 66 -0.616 1.701 1.166 483 1HE MET 66 1HE MET 66 0.457 0.774 -2.542 484 2HE MET 66 2HE MET 66 -1.136 0.767 -3.354 485 3HE MET 66 3HE MET 66 -0.485 2.291 -2.677 486 H MET 67 H MET 67 2.644 3.717 1.415 487 HA MET 67 HA MET 67 2.239 2.663 4.196 488 1HB MET 67 1HB MET 67 4.554 3.312 2.427 489 2HB MET 67 2HB MET 67 4.821 3.849 4.074 490 1HG MET 67 1HG MET 67 4.753 1.661 5.011 491 2HG MET 67 2HG MET 67 3.841 0.975 3.652 492 1HE MET 67 1HE MET 67 5.676 -0.996 3.883 493 2HE MET 67 2HE MET 67 7.433 -0.773 3.627 494 3HE MET 67 3HE MET 67 6.644 -0.090 5.086 495 H GLU 68 H GLU 68 3.944 5.712 3.327 496 HA GLU 68 HA GLU 68 3.818 6.596 6.118 497 1HB GLU 68 1HB GLU 68 5.503 7.112 4.099 498 2HB GLU 68 2HB GLU 68 4.549 8.554 3.930 499 1HG GLU 68 1HG GLU 68 6.228 7.723 6.392 500 2HG GLU 68 2HG GLU 68 6.511 9.088 5.328 501 H GLY 69 H GLY 69 2.062 7.893 3.296 502 1HA GLY 69 1HA GLY 69 -0.257 8.585 3.133 503 2HA GLY 69 2HA GLY 69 -0.451 7.562 4.563 504 H VAL 70 H VAL 70 -0.495 8.502 6.631 505 HA VAL 70 HA VAL 70 -2.703 10.268 6.573 506 HB VAL 70 HB VAL 70 -0.900 9.598 8.955 507 1HG1 VAL 70 1HG1 VAL 70 -3.652 11.031 9.031 508 2HG1 VAL 70 2HG1 VAL 70 -2.808 10.363 10.452 509 3HG1 VAL 70 3HG1 VAL 70 -2.096 11.712 9.565 510 1HG2 VAL 70 1HG2 VAL 70 -2.183 7.645 7.992 511 2HG2 VAL 70 2HG2 VAL 70 -2.750 8.036 9.609 512 3HG2 VAL 70 3HG2 VAL 70 -3.716 8.523 8.184 513 H GLN 71 H GLN 71 -2.423 12.126 5.448 514 HA GLN 71 HA GLN 71 -0.942 14.530 5.879 515 1HB GLN 71 1HB GLN 71 -3.984 14.615 5.956 516 2HB GLN 71 2HB GLN 71 -2.854 15.736 5.201 517 1HG GLN 71 1HG GLN 71 -2.215 13.632 3.650 518 2HG GLN 71 2HG GLN 71 -3.723 12.933 4.210 519 1HE2 GLN 71 1HE2 GLN 71 -5.549 15.668 2.437 520 2HE2 GLN 71 2HE2 GLN 71 -5.401 15.110 4.193 521 1HN NH2 72 1HN NH2 72 -0.064 15.297 7.785 522 2HN NH2 72 2HN NH2 72 -0.956 15.489 9.318 No H/Q in entry = 522 Start of MODEL 35 1 1H ACE 1 1HH3 ACE 1 20.602 3.429 -4.583 2 2H ACE 1 2HH3 ACE 1 22.369 3.724 -4.409 3 3H ACE 1 3HH3 ACE 1 21.720 2.060 -4.400 4 H LYS 2 H LYS 2 21.148 5.115 -2.630 5 HA LYS 2 HA LYS 2 20.444 3.549 -0.156 6 1HB LYS 2 1HB LYS 2 21.753 5.309 1.272 7 2HB LYS 2 2HB LYS 2 22.603 3.905 0.664 8 1HG LYS 2 1HG LYS 2 23.761 5.299 -1.064 9 2HG LYS 2 2HG LYS 2 22.611 6.598 -0.880 10 1HD LYS 2 1HD LYS 2 24.978 6.919 0.185 11 2HD LYS 2 2HD LYS 2 23.594 7.387 1.176 12 1HE LYS 2 1HE LYS 2 23.620 5.208 2.389 13 2HE LYS 2 2HE LYS 2 24.953 4.591 1.395 14 1HZ LYS 2 1HZ LYS 2 25.364 7.215 2.873 15 2HZ LYS 2 2HZ LYS 2 25.700 5.774 3.631 16 3HZ LYS 2 3HZ LYS 2 26.454 6.257 2.285 17 H SER 3 H SER 3 18.700 4.678 -1.827 18 HA SER 3 HA SER 3 17.375 6.913 -0.223 19 1HB SER 3 1HB SER 3 18.703 7.136 -2.917 20 2HB SER 3 2HB SER 3 17.187 7.990 -2.759 21 HG SER 3 HG SER 3 18.017 9.021 -0.864 22 H GLU 4 H GLU 4 16.814 5.620 -3.494 23 HA GLU 4 HA GLU 4 13.960 4.839 -2.755 24 1HB GLU 4 1HB GLU 4 14.595 4.350 -5.564 25 2HB GLU 4 2HB GLU 4 13.225 5.073 -4.757 26 1HG GLU 4 1HG GLU 4 14.073 7.304 -5.014 27 2HG GLU 4 2HG GLU 4 15.755 6.789 -5.069 28 H GLU 5 H GLU 5 17.052 3.465 -3.069 29 HA GLU 5 HA GLU 5 16.487 1.015 -4.400 30 1HB GLU 5 1HB GLU 5 18.741 2.241 -3.681 31 2HB GLU 5 2HB GLU 5 18.744 1.079 -2.388 32 1HG GLU 5 1HG GLU 5 18.347 -0.164 -5.122 33 2HG GLU 5 2HG GLU 5 19.877 0.672 -4.931 34 H GLU 6 H GLU 6 16.380 1.489 -0.884 35 HA GLU 6 HA GLU 6 15.723 -1.341 -0.319 36 1HB GLU 6 1HB GLU 6 16.928 0.578 1.123 37 2HB GLU 6 2HB GLU 6 15.334 0.788 1.785 38 1HG GLU 6 1HG GLU 6 17.112 -0.871 2.953 39 2HG GLU 6 2HG GLU 6 15.402 -1.259 2.988 40 H LEU 7 H LEU 7 13.715 1.597 -0.219 41 HA LEU 7 HA LEU 7 11.076 0.219 0.183 42 1HB LEU 7 1HB LEU 7 11.775 2.970 -0.981 43 2HB LEU 7 2HB LEU 7 10.138 2.407 -0.748 44 HG LEU 7 HG LEU 7 11.470 3.960 1.058 45 1HD1 LEU 7 1HD1 LEU 7 9.030 3.475 1.052 46 2HD1 LEU 7 2HD1 LEU 7 9.306 1.857 1.745 47 3HD1 LEU 7 3HD1 LEU 7 9.682 3.321 2.690 48 1HD2 LEU 7 1HD2 LEU 7 11.858 1.061 2.114 49 2HD2 LEU 7 2HD2 LEU 7 13.141 2.252 1.765 50 3HD2 LEU 7 3HD2 LEU 7 12.018 2.542 3.096 51 H ALA 8 H ALA 8 13.203 0.667 -2.566 52 HA ALA 8 HA ALA 8 11.283 -0.324 -4.576 53 1HB ALA 8 1HB ALA 8 14.372 -0.123 -4.582 54 2HB ALA 8 2HB ALA 8 13.365 -0.439 -6.010 55 3HB ALA 8 3HB ALA 8 13.218 1.103 -5.158 56 H ASN 9 H ASN 9 14.162 -2.128 -3.256 57 HA ASN 9 HA ASN 9 13.419 -4.797 -3.713 58 1HB ASN 9 1HB ASN 9 14.554 -3.610 -1.086 59 2HB ASN 9 2HB ASN 9 14.498 -5.319 -1.420 60 1HD2 ASN 9 1HD2 ASN 9 17.010 -4.707 -4.169 61 2HD2 ASN 9 2HD2 ASN 9 15.282 -5.280 -4.169 62 H ALA 10 H ALA 10 12.057 -2.867 -1.031 63 HA ALA 10 HA ALA 10 10.232 -4.963 -0.057 64 1HB ALA 10 1HB ALA 10 11.222 -3.139 1.338 65 2HB ALA 10 2HB ALA 10 10.250 -1.913 0.483 66 3HB ALA 10 3HB ALA 10 9.453 -3.152 1.477 67 H PHE 11 H PHE 11 9.532 -2.077 -2.095 68 HA PHE 11 HA PHE 11 6.732 -2.588 -2.609 69 1HB PHE 11 1HB PHE 11 7.904 -0.469 -3.138 70 2HB PHE 11 2HB PHE 11 8.852 -1.242 -4.364 71 HD1 PHE 11 HD1 PHE 11 5.081 -1.547 -3.891 72 HD2 PHE 11 HD2 PHE 11 8.307 -0.201 -6.400 73 HE1 PHE 11 HE1 PHE 11 3.461 -0.691 -5.536 74 HE2 PHE 11 HE2 PHE 11 6.672 0.653 -8.028 75 HZ PHE 11 HZ PHE 11 4.258 0.482 -7.565 76 H ARG 12 H ARG 12 9.496 -3.765 -4.629 77 HA ARG 12 HA ARG 12 8.005 -5.682 -6.160 78 1HB ARG 12 1HB ARG 12 10.437 -5.004 -6.481 79 2HB ARG 12 2HB ARG 12 10.890 -6.065 -5.152 80 1HG ARG 12 1HG ARG 12 9.363 -7.798 -6.782 81 2HG ARG 12 2HG ARG 12 10.109 -6.748 -7.993 82 1HD ARG 12 1HD ARG 12 11.931 -7.841 -5.798 83 2HD ARG 12 2HD ARG 12 11.352 -8.989 -7.037 84 HE ARG 12 HE ARG 12 13.200 -6.654 -7.527 85 1HH1 ARG 12 2HH1 ARG 12 11.135 -8.994 -9.031 86 2HH1 ARG 12 1HH1 ARG 12 11.961 -8.802 -10.652 87 1HH2 ARG 12 1HH2 ARG 12 14.112 -6.455 -9.342 88 2HH2 ARG 12 2HH2 ARG 12 13.593 -7.428 -10.795 89 H ILE 13 H ILE 13 9.201 -6.046 -2.839 90 HA ILE 13 HA ILE 13 8.793 -9.001 -2.669 91 HB ILE 13 HB ILE 13 9.476 -6.875 -0.582 92 1HG1 ILE 13 1HG1 ILE 13 11.247 -7.978 -2.320 93 2HG1 ILE 13 2HG1 ILE 13 11.684 -7.538 -0.691 94 1HG2 ILE 13 1HG2 ILE 13 8.098 -8.614 0.624 95 2HG2 ILE 13 2HG2 ILE 13 9.127 -9.914 -0.022 96 3HG2 ILE 13 3HG2 ILE 13 9.773 -8.731 1.133 97 1HD1 ILE 13 1HD1 ILE 13 11.376 -9.895 0.136 98 2HD1 ILE 13 2HD1 ILE 13 10.989 -10.420 -1.521 99 3HD1 ILE 13 3HD1 ILE 13 12.596 -9.766 -1.151 100 H PHE 14 H PHE 14 6.886 -6.155 -1.893 101 HA PHE 14 HA PHE 14 4.588 -7.542 -0.598 102 1HB PHE 14 1HB PHE 14 4.973 -4.782 -1.901 103 2HB PHE 14 2HB PHE 14 3.383 -5.314 -1.462 104 HD1 PHE 14 HD1 PHE 14 3.861 -6.717 1.189 105 HD2 PHE 14 HD2 PHE 14 5.490 -3.058 -0.361 106 HE1 PHE 14 HE1 PHE 14 4.168 -5.879 3.484 107 HE2 PHE 14 HE2 PHE 14 5.816 -2.234 1.937 108 HZ PHE 14 HZ PHE 14 5.101 -3.624 3.866 109 H ASP 15 H ASP 15 5.138 -6.366 -3.937 110 HA ASP 15 HA ASP 15 2.633 -7.295 -5.043 111 1HB ASP 15 1HB ASP 15 4.024 -5.486 -6.015 112 2HB ASP 15 2HB ASP 15 5.301 -6.617 -6.435 113 H LYS 16 H LYS 16 1.923 -9.157 -6.074 114 HA LYS 16 HA LYS 16 3.195 -11.587 -4.845 115 1HB LYS 16 1HB LYS 16 1.131 -12.485 -4.809 116 2HB LYS 16 2HB LYS 16 0.533 -10.909 -5.249 117 1HG LYS 16 1HG LYS 16 -0.211 -11.687 -7.317 118 2HG LYS 16 2HG LYS 16 1.308 -12.508 -7.652 119 1HD LYS 16 1HD LYS 16 -0.592 -13.743 -5.593 120 2HD LYS 16 2HD LYS 16 -1.000 -13.840 -7.305 121 1HE LYS 16 1HE LYS 16 1.779 -14.677 -7.064 122 2HE LYS 16 2HE LYS 16 0.821 -15.599 -5.887 123 1HZ LYS 16 1HZ LYS 16 -0.446 -15.200 -8.576 124 2HZ LYS 16 2HZ LYS 16 0.866 -16.164 -8.565 125 3HZ LYS 16 3HZ LYS 16 -0.445 -16.578 -7.664 126 H ASN 17 H ASN 17 2.453 -10.368 -8.120 127 HA ASN 17 HA ASN 17 4.370 -12.395 -9.315 128 1HB ASN 17 1HB ASN 17 1.922 -12.188 -10.049 129 2HB ASN 17 2HB ASN 17 2.307 -10.657 -10.788 130 1HD2 ASN 17 1HD2 ASN 17 3.403 -14.025 -12.757 131 2HD2 ASN 17 2HD2 ASN 17 3.487 -14.060 -10.965 132 H ALA 18 H ALA 18 4.427 -8.979 -8.673 133 HA ALA 18 HA ALA 18 6.439 -7.641 -8.663 134 1HB ALA 18 1HB ALA 18 7.538 -9.819 -8.018 135 2HB ALA 18 2HB ALA 18 7.726 -10.227 -9.738 136 3HB ALA 18 3HB ALA 18 8.597 -8.837 -9.067 137 H ASP 19 H ASP 19 4.651 -7.621 -11.061 138 HA ASP 19 HA ASP 19 6.501 -6.516 -13.133 139 1HB ASP 19 1HB ASP 19 3.444 -6.328 -12.762 140 2HB ASP 19 2HB ASP 19 4.293 -5.661 -14.149 141 H GLY 20 H GLY 20 6.422 -5.446 -10.215 142 1HA GLY 20 1HA GLY 20 6.788 -3.337 -9.079 143 2HA GLY 20 2HA GLY 20 7.084 -2.665 -10.687 144 H TYR 21 H TYR 21 3.933 -3.989 -9.855 145 HA TYR 21 HA TYR 21 2.798 -1.181 -9.270 146 1HB TYR 21 1HB TYR 21 1.938 -3.167 -11.269 147 2HB TYR 21 2HB TYR 21 0.670 -2.959 -10.097 148 HD1 TYR 21 HD1 TYR 21 2.868 -0.035 -10.906 149 HD2 TYR 21 HD2 TYR 21 -0.846 -2.028 -11.763 150 HE1 TYR 21 HE1 TYR 21 2.021 1.987 -12.046 151 HE2 TYR 21 HE2 TYR 21 -1.659 -0.003 -12.902 152 HH TYR 21 HH TYR 21 -0.097 2.173 -14.105 153 H ILE 22 H ILE 22 1.248 -1.013 -7.591 154 HA ILE 22 HA ILE 22 0.402 -3.576 -6.128 155 HB ILE 22 HB ILE 22 0.264 -0.663 -5.189 156 1HG1 ILE 22 1HG1 ILE 22 2.190 -2.904 -4.605 157 2HG1 ILE 22 2HG1 ILE 22 2.434 -1.179 -4.557 158 1HG2 ILE 22 1HG2 ILE 22 -1.791 -1.897 -4.363 159 2HG2 ILE 22 2HG2 ILE 22 -0.770 -3.175 -3.676 160 3HG2 ILE 22 3HG2 ILE 22 -0.727 -1.519 -3.019 161 1HD1 ILE 22 1HD1 ILE 22 1.209 -1.013 -2.329 162 2HD1 ILE 22 2HD1 ILE 22 1.143 -2.793 -2.284 163 3HD1 ILE 22 3HD1 ILE 22 2.714 -1.966 -2.287 164 H ASP 23 H ASP 23 -1.762 -4.177 -6.042 165 HA ASP 23 HA ASP 23 -3.862 -2.219 -7.111 166 1HB ASP 23 1HB ASP 23 -5.076 -4.190 -8.011 167 2HB ASP 23 2HB ASP 23 -3.435 -4.127 -8.639 168 H ILE 24 H ILE 24 -6.155 -2.917 -6.378 169 HA ILE 24 HA ILE 24 -6.287 -2.275 -3.443 170 HB ILE 24 HB ILE 24 -7.960 -1.529 -5.339 171 1HG1 ILE 24 1HG1 ILE 24 -8.658 -0.552 -3.354 172 2HG1 ILE 24 2HG1 ILE 24 -9.968 -1.687 -3.530 173 1HG2 ILE 24 1HG2 ILE 24 -8.689 -3.834 -6.107 174 2HG2 ILE 24 2HG2 ILE 24 -9.332 -4.184 -4.491 175 3HG2 ILE 24 3HG2 ILE 24 -10.068 -2.924 -5.514 176 1HD1 ILE 24 1HD1 ILE 24 -8.799 -3.353 -1.999 177 2HD1 ILE 24 2HD1 ILE 24 -7.571 -2.109 -1.655 178 3HD1 ILE 24 3HD1 ILE 24 -9.268 -1.822 -1.214 179 H GLU 25 H GLU 25 -6.465 -5.152 -5.416 180 HA GLU 25 HA GLU 25 -7.618 -6.898 -3.264 181 1HB GLU 25 1HB GLU 25 -7.917 -8.549 -4.820 182 2HB GLU 25 2HB GLU 25 -8.130 -7.101 -5.757 183 1HG GLU 25 1HG GLU 25 -6.522 -7.772 -7.269 184 2HG GLU 25 2HG GLU 25 -5.306 -7.944 -6.016 185 H GLU 26 H GLU 26 -4.409 -6.152 -4.396 186 HA GLU 26 HA GLU 26 -3.020 -8.099 -2.588 187 1HB GLU 26 1HB GLU 26 -2.031 -5.727 -4.212 188 2HB GLU 26 2HB GLU 26 -0.989 -6.523 -3.072 189 1HG GLU 26 1HG GLU 26 -0.987 -8.622 -4.370 190 2HG GLU 26 2HG GLU 26 -2.353 -8.120 -5.349 191 H LEU 27 H LEU 27 -4.342 -4.901 -2.213 192 HA LEU 27 HA LEU 27 -2.607 -3.809 -0.198 193 1HB LEU 27 1HB LEU 27 -4.147 -2.468 -1.556 194 2HB LEU 27 2HB LEU 27 -5.549 -3.185 -0.805 195 HG LEU 27 HG LEU 27 -3.526 -1.358 0.640 196 1HD1 LEU 27 1HD1 LEU 27 -4.908 -0.151 -1.052 197 2HD1 LEU 27 2HD1 LEU 27 -6.414 -0.760 -0.310 198 3HD1 LEU 27 3HD1 LEU 27 -5.328 0.340 0.587 199 1HD2 LEU 27 1HD2 LEU 27 -6.225 -2.493 1.690 200 2HD2 LEU 27 2HD2 LEU 27 -4.595 -2.954 2.266 201 3HD2 LEU 27 3HD2 LEU 27 -5.180 -1.305 2.519 202 H GLY 28 H GLY 28 -5.960 -4.550 0.768 203 1HA GLY 28 1HA GLY 28 -5.653 -4.894 3.532 204 2HA GLY 28 2HA GLY 28 -6.862 -5.824 2.639 205 H GLU 29 H GLU 29 -4.715 -7.320 1.175 206 HA GLU 29 HA GLU 29 -4.294 -9.603 3.058 207 1HB GLU 29 1HB GLU 29 -3.116 -9.225 0.270 208 2HB GLU 29 2HB GLU 29 -3.095 -10.696 1.195 209 1HG GLU 29 1HG GLU 29 -5.780 -10.540 1.102 210 2HG GLU 29 2HG GLU 29 -5.518 -9.375 -0.184 211 H ILE 30 H ILE 30 -2.174 -7.098 1.712 212 HA ILE 30 HA ILE 30 0.357 -7.799 3.098 213 HB ILE 30 HB ILE 30 -0.737 -5.119 2.110 214 1HG1 ILE 30 1HG1 ILE 30 0.437 -5.414 0.156 215 2HG1 ILE 30 2HG1 ILE 30 1.866 -5.975 0.980 216 1HG2 ILE 30 1HG2 ILE 30 0.746 -4.629 4.089 217 2HG2 ILE 30 2HG2 ILE 30 2.057 -5.600 3.371 218 3HG2 ILE 30 3HG2 ILE 30 1.510 -4.085 2.599 219 1HD1 ILE 30 1HD1 ILE 30 -0.478 -7.870 0.289 220 2HD1 ILE 30 2HD1 ILE 30 1.080 -7.726 -0.552 221 3HD1 ILE 30 3HD1 ILE 30 1.035 -8.312 1.123 222 H LEU 31 H LEU 31 -2.282 -5.567 4.026 223 HA LEU 31 HA LEU 31 -1.256 -4.918 6.721 224 1HB LEU 31 1HB LEU 31 -4.230 -4.817 6.242 225 2HB LEU 31 2HB LEU 31 -3.199 -3.675 7.068 226 HG LEU 31 HG LEU 31 -3.744 -3.916 4.079 227 1HD1 LEU 31 1HD1 LEU 31 -3.782 -1.568 6.093 228 2HD1 LEU 31 2HD1 LEU 31 -4.133 -1.437 4.349 229 3HD1 LEU 31 3HD1 LEU 31 -5.183 -2.415 5.379 230 1HD2 LEU 31 1HD2 LEU 31 -1.313 -2.438 5.320 231 2HD2 LEU 31 2HD2 LEU 31 -1.262 -3.761 4.122 232 3HD2 LEU 31 3HD2 LEU 31 -1.918 -2.187 3.662 233 H ARG 32 H ARG 32 -2.940 -7.712 5.564 234 HA ARG 32 HA ARG 32 -3.309 -8.761 8.421 235 1HB ARG 32 1HB ARG 32 -5.230 -8.250 6.786 236 2HB ARG 32 2HB ARG 32 -4.688 -9.600 5.790 237 1HG ARG 32 1HG ARG 32 -4.977 -11.062 7.990 238 2HG ARG 32 2HG ARG 32 -5.784 -9.639 8.674 239 1HD ARG 32 1HD ARG 32 -6.657 -11.023 6.034 240 2HD ARG 32 2HD ARG 32 -7.404 -11.342 7.616 241 HE ARG 32 HE ARG 32 -7.371 -8.433 7.186 242 1HH1 ARG 32 2HH1 ARG 32 -9.066 -11.229 6.010 243 2HH1 ARG 32 1HH1 ARG 32 -10.552 -10.248 5.602 244 1HH2 ARG 32 1HH2 ARG 32 -9.062 -7.362 6.711 245 2HH2 ARG 32 2HH2 ARG 32 -10.532 -8.169 5.997 246 H ALA 33 H ALA 33 -1.272 -9.211 5.708 247 HA ALA 33 HA ALA 33 -0.579 -11.867 5.469 248 1HB ALA 33 1HB ALA 33 0.574 -9.973 4.331 249 2HB ALA 33 2HB ALA 33 1.428 -9.544 5.838 250 3HB ALA 33 3HB ALA 33 1.761 -11.090 5.026 251 H THR 34 H THR 34 0.045 -10.083 8.436 252 HA THR 34 HA THR 34 1.990 -11.943 9.598 253 HB THR 34 HB THR 34 1.986 -10.597 11.555 254 HG1 THR 34 HG1 THR 34 -0.148 -10.488 12.095 255 1HG2 THR 34 2HG2 THR 34 2.672 -9.359 9.397 256 2HG2 THR 34 3HG2 THR 34 1.029 -8.671 9.321 257 3HG2 THR 34 1HG2 THR 34 2.091 -8.265 10.680 258 H GLY 35 H GLY 35 1.780 -13.423 11.281 259 1HA GLY 35 1HA GLY 35 -0.385 -13.814 13.055 260 2HA GLY 35 2HA GLY 35 -0.782 -14.949 11.760 261 1HN NH2 36 1HN NH2 36 -0.593 -16.894 12.892 262 2HN NH2 36 2HN NH2 36 0.947 -17.487 13.571 263 1H ACE 37 1HH3 ACE 37 -13.588 -5.693 14.071 264 2H ACE 37 2HH3 ACE 37 -12.894 -4.135 14.636 265 3H ACE 37 3HH3 ACE 37 -14.652 -4.418 14.723 266 H VAL 38 H VAL 38 -11.984 -4.240 12.364 267 HA VAL 38 HA VAL 38 -13.635 -2.606 10.480 268 HB VAL 38 HB VAL 38 -11.408 -2.731 9.067 269 1HG1 VAL 38 1HG1 VAL 38 -11.556 -1.238 11.787 270 2HG1 VAL 38 2HG1 VAL 38 -10.378 -0.866 10.507 271 3HG1 VAL 38 3HG1 VAL 38 -12.104 -0.630 10.215 272 1HG2 VAL 38 1HG2 VAL 38 -10.248 -4.571 10.366 273 2HG2 VAL 38 2HG2 VAL 38 -9.329 -3.053 10.469 274 3HG2 VAL 38 3HG2 VAL 38 -10.328 -3.586 11.843 275 H THR 39 H THR 39 -13.670 -3.110 8.138 276 HA THR 39 HA THR 39 -13.558 -6.044 7.376 277 HB THR 39 HB THR 39 -15.699 -5.788 5.963 278 HG1 THR 39 HG1 THR 39 -17.212 -4.374 6.734 279 1HG2 THR 39 2HG2 THR 39 -15.954 -5.769 9.053 280 2HG2 THR 39 3HG2 THR 39 -17.188 -6.374 7.921 281 3HG2 THR 39 1HG2 THR 39 -15.618 -7.194 8.042 282 H GLU 40 H GLU 40 -14.169 -5.938 4.775 283 HA GLU 40 HA GLU 40 -11.849 -4.527 3.512 284 1HB GLU 40 1HB GLU 40 -13.998 -5.958 1.929 285 2HB GLU 40 2HB GLU 40 -12.335 -5.688 1.506 286 1HG GLU 40 1HG GLU 40 -12.251 -7.329 3.907 287 2HG GLU 40 2HG GLU 40 -13.534 -7.998 2.916 288 H GLU 41 H GLU 41 -15.391 -4.025 3.436 289 HA GLU 41 HA GLU 41 -15.434 -1.657 1.847 290 1HB GLU 41 1HB GLU 41 -17.611 -1.619 2.246 291 2HB GLU 41 2HB GLU 41 -17.339 -3.146 3.028 292 1HG GLU 41 1HG GLU 41 -17.620 -2.213 5.254 293 2HG GLU 41 2HG GLU 41 -17.291 -0.572 4.731 294 H ASP 42 H ASP 42 -14.303 -1.830 5.168 295 HA ASP 42 HA ASP 42 -13.840 1.095 5.373 296 1HB ASP 42 1HB ASP 42 -13.005 -1.359 7.007 297 2HB ASP 42 2HB ASP 42 -12.303 0.210 7.374 298 H ILE 43 H ILE 43 -11.862 -1.586 4.241 299 HA ILE 43 HA ILE 43 -9.408 -0.029 3.500 300 HB ILE 43 HB ILE 43 -10.567 -2.662 2.486 301 1HG1 ILE 43 1HG1 ILE 43 -9.347 -3.097 4.506 302 2HG1 ILE 43 2HG1 ILE 43 -8.268 -3.562 3.219 303 1HG2 ILE 43 1HG2 ILE 43 -9.569 -1.558 0.446 304 2HG2 ILE 43 2HG2 ILE 43 -8.054 -1.253 1.319 305 3HG2 ILE 43 3HG2 ILE 43 -8.566 -2.916 0.935 306 1HD1 ILE 43 1HD1 ILE 43 -6.982 -1.390 3.404 307 2HD1 ILE 43 2HD1 ILE 43 -7.970 -0.951 4.823 308 3HD1 ILE 43 3HD1 ILE 43 -6.931 -2.392 4.872 309 H GLU 44 H GLU 44 -12.602 -0.529 2.084 310 HA GLU 44 HA GLU 44 -11.991 0.830 -0.520 311 1HB GLU 44 1HB GLU 44 -14.308 -0.610 0.646 312 2HB GLU 44 2HB GLU 44 -14.775 0.733 -0.352 313 1HG GLU 44 1HG GLU 44 -12.761 -0.782 -1.860 314 2HG GLU 44 2HG GLU 44 -13.899 -1.939 -1.193 315 H ASP 45 H ASP 45 -13.318 1.821 2.565 316 HA ASP 45 HA ASP 45 -14.068 4.626 1.847 317 1HB ASP 45 1HB ASP 45 -13.565 3.093 4.448 318 2HB ASP 45 2HB ASP 45 -13.657 4.848 4.492 319 H LEU 46 H LEU 46 -11.126 3.164 3.241 320 HA LEU 46 HA LEU 46 -9.593 5.711 3.342 321 1HB LEU 46 1HB LEU 46 -9.266 3.756 4.861 322 2HB LEU 46 2HB LEU 46 -8.634 2.793 3.547 323 HG LEU 46 HG LEU 46 -7.197 5.409 4.249 324 1HD1 LEU 46 1HD1 LEU 46 -7.715 3.674 6.331 325 2HD1 LEU 46 2HD1 LEU 46 -6.239 2.932 5.651 326 3HD1 LEU 46 3HD1 LEU 46 -6.206 4.621 6.177 327 1HD2 LEU 46 1HD2 LEU 46 -6.449 2.775 2.894 328 2HD2 LEU 46 2HD2 LEU 46 -6.144 4.433 2.373 329 3HD2 LEU 46 3HD2 LEU 46 -5.170 3.732 3.698 330 H MET 47 H MET 47 -9.150 2.944 1.120 331 HA MET 47 HA MET 47 -7.288 4.456 -0.621 332 1HB MET 47 1HB MET 47 -7.785 1.762 -0.148 333 2HB MET 47 2HB MET 47 -8.534 1.958 -1.723 334 1HG MET 47 1HG MET 47 -6.070 3.286 -2.127 335 2HG MET 47 2HG MET 47 -5.632 1.948 -1.049 336 1HE MET 47 1HE MET 47 -5.258 2.857 -4.300 337 2HE MET 47 2HE MET 47 -4.190 1.636 -3.548 338 3HE MET 47 3HE MET 47 -5.059 1.239 -5.058 339 H LYS 48 H LYS 48 -10.747 4.492 -0.564 340 HA LYS 48 HA LYS 48 -10.782 5.987 -3.191 341 1HB LYS 48 1HB LYS 48 -12.831 5.368 -1.014 342 2HB LYS 48 2HB LYS 48 -13.238 6.514 -2.254 343 1HG LYS 48 1HG LYS 48 -13.913 3.900 -2.480 344 2HG LYS 48 2HG LYS 48 -13.509 4.830 -3.889 345 1HD LYS 48 1HD LYS 48 -11.215 3.989 -4.005 346 2HD LYS 48 2HD LYS 48 -11.308 3.159 -2.487 347 1HE LYS 48 1HE LYS 48 -11.881 1.263 -3.730 348 2HE LYS 48 2HE LYS 48 -13.463 1.988 -3.954 349 1HZ LYS 48 1HZ LYS 48 -11.931 3.316 -5.859 350 2HZ LYS 48 2HZ LYS 48 -11.286 1.873 -5.965 351 3HZ LYS 48 3HZ LYS 48 -12.912 2.062 -6.219 352 H ASP 49 H ASP 49 -10.292 6.672 0.190 353 HA ASP 49 HA ASP 49 -10.996 9.608 0.092 354 1HB ASP 49 1HB ASP 49 -11.199 8.078 2.180 355 2HB ASP 49 2HB ASP 49 -9.449 8.160 2.328 356 H SER 50 H SER 50 -8.027 7.683 -0.227 357 HA SER 50 HA SER 50 -6.457 10.152 -0.949 358 1HB SER 50 1HB SER 50 -4.631 8.225 -1.372 359 2HB SER 50 2HB SER 50 -5.061 8.720 0.262 360 HG SER 50 HG SER 50 -5.204 6.559 0.267 361 H ASP 51 H ASP 51 -7.688 7.270 -2.636 362 HA ASP 51 HA ASP 51 -5.804 7.569 -4.878 363 1HB ASP 51 1HB ASP 51 -6.849 5.425 -3.673 364 2HB ASP 51 2HB ASP 51 -8.120 5.561 -4.880 365 H LYS 52 H LYS 52 -8.321 9.551 -4.604 366 HA LYS 52 HA LYS 52 -10.159 8.660 -6.843 367 1HB LYS 52 1HB LYS 52 -11.751 9.973 -5.893 368 2HB LYS 52 2HB LYS 52 -10.826 9.646 -4.460 369 1HG LYS 52 1HG LYS 52 -10.828 12.261 -6.156 370 2HG LYS 52 2HG LYS 52 -11.545 12.044 -4.591 371 1HD LYS 52 1HD LYS 52 -9.144 11.467 -3.684 372 2HD LYS 52 2HD LYS 52 -8.500 12.146 -5.142 373 1HE LYS 52 1HE LYS 52 -8.608 14.247 -4.127 374 2HE LYS 52 2HE LYS 52 -10.366 14.148 -4.187 375 1HZ LYS 52 1HZ LYS 52 -10.100 12.671 -1.970 376 2HZ LYS 52 2HZ LYS 52 -8.630 13.421 -1.829 377 3HZ LYS 52 3HZ LYS 52 -10.034 14.250 -1.869 378 H ASN 53 H ASN 53 -7.223 10.228 -6.864 379 HA ASN 53 HA ASN 53 -7.589 12.004 -9.126 380 1HB ASN 53 1HB ASN 53 -5.084 11.369 -9.601 381 2HB ASN 53 2HB ASN 53 -5.463 12.102 -8.067 382 1HD2 ASN 53 1HD2 ASN 53 -3.970 8.330 -8.106 383 2HD2 ASN 53 2HD2 ASN 53 -4.520 9.122 -9.650 384 H ASN 54 H ASN 54 -8.586 8.890 -9.184 385 HA ASN 54 HA ASN 54 -9.433 7.521 -10.967 386 1HB ASN 54 1HB ASN 54 -8.920 10.184 -12.432 387 2HB ASN 54 2HB ASN 54 -9.368 8.774 -13.352 388 1HD2 ASN 54 1HD2 ASN 54 -12.769 8.885 -12.188 389 2HD2 ASN 54 2HD2 ASN 54 -11.480 7.764 -12.817 390 H ASP 55 H ASP 55 -6.549 7.517 -10.210 391 HA ASP 55 HA ASP 55 -5.911 5.482 -12.414 392 1HB ASP 55 1HB ASP 55 -4.035 7.252 -10.784 393 2HB ASP 55 2HB ASP 55 -3.465 5.660 -11.266 394 H GLY 56 H GLY 56 -7.462 4.056 -11.317 395 1HA GLY 56 1HA GLY 56 -7.846 3.731 -8.441 396 2HA GLY 56 2HA GLY 56 -8.293 2.524 -9.653 397 H ARG 57 H ARG 57 -5.590 2.004 -10.602 398 HA ARG 57 HA ARG 57 -4.421 0.460 -8.260 399 1HB ARG 57 1HB ARG 57 -3.613 0.284 -11.219 400 2HB ARG 57 2HB ARG 57 -3.277 -0.886 -9.943 401 1HG ARG 57 1HG ARG 57 -5.638 -1.561 -9.803 402 2HG ARG 57 2HG ARG 57 -6.181 -0.160 -10.723 403 1HD ARG 57 1HD ARG 57 -4.628 -2.618 -11.784 404 2HD ARG 57 2HD ARG 57 -6.260 -2.102 -12.205 405 HE ARG 57 HE ARG 57 -3.783 -0.864 -13.344 406 1HH1 ARG 57 2HH1 ARG 57 -7.158 -0.315 -12.789 407 2HH1 ARG 57 1HH1 ARG 57 -7.174 1.093 -13.976 408 1HH2 ARG 57 1HH2 ARG 57 -3.885 0.535 -14.753 409 2HH2 ARG 57 2HH2 ARG 57 -5.420 1.458 -15.137 410 H ILE 58 H ILE 58 -2.133 0.308 -7.915 411 HA ILE 58 HA ILE 58 -1.204 3.177 -7.574 412 HB ILE 58 HB ILE 58 -1.038 0.710 -5.797 413 1HG1 ILE 58 1HG1 ILE 58 -2.257 3.523 -5.457 414 2HG1 ILE 58 2HG1 ILE 58 -3.101 2.002 -5.519 415 1HG2 ILE 58 1HG2 ILE 58 1.257 1.768 -5.639 416 2HG2 ILE 58 2HG2 ILE 58 0.524 3.341 -5.263 417 3HG2 ILE 58 3HG2 ILE 58 0.374 1.977 -4.130 418 1HD1 ILE 58 1HD1 ILE 58 -2.088 1.259 -3.314 419 2HD1 ILE 58 2HD1 ILE 58 -1.322 2.861 -3.158 420 3HD1 ILE 58 3HD1 ILE 58 -3.093 2.725 -3.194 421 H ASP 59 H ASP 59 0.870 3.865 -7.928 422 HA ASP 59 HA ASP 59 3.045 1.815 -8.597 423 1HB ASP 59 1HB ASP 59 3.996 3.468 -10.153 424 2HB ASP 59 2HB ASP 59 2.295 3.224 -10.523 425 H PHE 60 H PHE 60 5.288 3.550 -8.484 426 HA PHE 60 HA PHE 60 6.013 2.656 -5.733 427 1HB PHE 60 1HB PHE 60 7.502 2.707 -7.875 428 2HB PHE 60 2HB PHE 60 7.690 4.410 -7.625 429 HD1 PHE 60 HD1 PHE 60 7.747 3.915 -4.340 430 HD2 PHE 60 HD2 PHE 60 9.987 2.506 -7.724 431 HE1 PHE 60 HE1 PHE 60 9.654 3.377 -2.866 432 HE2 PHE 60 HE2 PHE 60 11.882 1.982 -6.254 433 HZ PHE 60 HZ PHE 60 11.746 2.461 -3.830 434 H ASP 61 H ASP 61 5.418 5.846 -7.172 435 HA ASP 61 HA ASP 61 5.969 7.663 -4.964 436 1HB ASP 61 1HB ASP 61 3.459 7.965 -6.799 437 2HB ASP 61 2HB ASP 61 4.683 9.111 -6.306 438 H GLU 62 H GLU 62 2.737 6.555 -5.791 439 HA GLU 62 HA GLU 62 1.266 7.050 -3.363 440 1HB GLU 62 1HB GLU 62 0.809 4.591 -5.099 441 2HB GLU 62 2HB GLU 62 -0.346 5.374 -4.063 442 1HG GLU 62 1HG GLU 62 0.120 7.509 -5.737 443 2HG GLU 62 2HG GLU 62 0.632 6.241 -6.835 444 H PHE 63 H PHE 63 3.567 4.378 -3.878 445 HA PHE 63 HA PHE 63 2.885 2.757 -1.460 446 1HB PHE 63 1HB PHE 63 4.249 1.985 -3.489 447 2HB PHE 63 2HB PHE 63 5.553 3.002 -2.976 448 HD1 PHE 63 HD1 PHE 63 6.916 2.498 -0.897 449 HD2 PHE 63 HD2 PHE 63 3.771 -0.158 -2.151 450 HE1 PHE 63 HE1 PHE 63 7.897 0.677 0.446 451 HE2 PHE 63 HE2 PHE 63 4.746 -1.944 -0.793 452 HZ PHE 63 HZ PHE 63 6.885 -1.579 0.397 453 H LEU 64 H LEU 64 5.584 5.041 -2.045 454 HA LEU 64 HA LEU 64 6.554 5.299 0.632 455 1HB LEU 64 1HB LEU 64 6.546 7.325 -1.658 456 2HB LEU 64 2HB LEU 64 7.329 7.687 -0.139 457 HG LEU 64 HG LEU 64 8.074 5.268 -1.895 458 1HD1 LEU 64 1HD1 LEU 64 9.349 8.086 -1.749 459 2HD1 LEU 64 2HD1 LEU 64 10.090 6.672 -2.546 460 3HD1 LEU 64 3HD1 LEU 64 8.555 7.307 -3.145 461 1HD2 LEU 64 1HD2 LEU 64 9.519 6.544 0.542 462 2HD2 LEU 64 2HD2 LEU 64 8.811 4.906 0.452 463 3HD2 LEU 64 3HD2 LEU 64 10.227 5.308 -0.528 464 H LYS 65 H LYS 65 3.934 7.236 -0.803 465 HA LYS 65 HA LYS 65 3.385 8.838 1.640 466 1HB LYS 65 1HB LYS 65 2.366 8.387 -1.156 467 2HB LYS 65 2HB LYS 65 1.176 9.075 -0.067 468 1HG LYS 65 1HG LYS 65 3.474 10.731 0.318 469 2HG LYS 65 2HG LYS 65 3.588 10.271 -1.391 470 1HD LYS 65 1HD LYS 65 0.796 10.891 -0.615 471 2HD LYS 65 2HD LYS 65 1.839 12.279 -0.292 472 1HE LYS 65 1HE LYS 65 1.491 10.815 -3.025 473 2HE LYS 65 2HE LYS 65 0.671 12.315 -2.554 474 1HZ LYS 65 1HZ LYS 65 3.703 12.242 -2.393 475 2HZ LYS 65 2HZ LYS 65 2.983 12.508 -3.830 476 3HZ LYS 65 3HZ LYS 65 2.726 13.548 -2.632 477 H MET 66 H MET 66 1.553 6.130 0.128 478 HA MET 66 HA MET 66 -0.388 5.659 2.127 479 1HB MET 66 1HB MET 66 -0.588 4.493 0.052 480 2HB MET 66 2HB MET 66 1.019 3.806 0.156 481 1HG MET 66 1HG MET 66 0.400 2.071 1.667 482 2HG MET 66 2HG MET 66 -1.055 2.913 2.233 483 1HE MET 66 1HE MET 66 0.661 1.730 -1.159 484 2HE MET 66 2HE MET 66 0.455 0.340 -0.048 485 3HE MET 66 3HE MET 66 -0.469 0.407 -1.577 486 H MET 67 H MET 67 2.867 4.020 2.188 487 HA MET 67 HA MET 67 2.824 3.135 4.932 488 1HB MET 67 1HB MET 67 4.906 3.761 2.927 489 2HB MET 67 2HB MET 67 5.414 4.319 4.508 490 1HG MET 67 1HG MET 67 6.193 1.971 4.057 491 2HG MET 67 2HG MET 67 5.189 2.069 5.516 492 1HE MET 67 1HE MET 67 5.750 -0.440 4.659 493 2HE MET 67 2HE MET 67 4.168 -0.677 5.464 494 3HE MET 67 3HE MET 67 4.470 -1.409 3.860 495 H GLU 68 H GLU 68 4.683 6.072 4.198 496 HA GLU 68 HA GLU 68 4.413 6.705 7.104 497 1HB GLU 68 1HB GLU 68 6.607 6.315 6.204 498 2HB GLU 68 2HB GLU 68 6.447 7.554 4.997 499 1HG GLU 68 1HG GLU 68 6.621 9.362 6.714 500 2HG GLU 68 2HG GLU 68 6.505 8.208 8.031 501 H GLY 69 H GLY 69 2.788 8.074 4.477 502 1HA GLY 69 1HA GLY 69 3.321 11.003 5.268 503 2HA GLY 69 2HA GLY 69 2.883 10.505 3.629 504 H VAL 70 H VAL 70 1.040 8.778 5.877 505 HA VAL 70 HA VAL 70 -1.394 10.260 4.762 506 HB VAL 70 HB VAL 70 -0.623 7.400 4.951 507 1HG1 VAL 70 1HG1 VAL 70 -3.558 8.156 5.619 508 2HG1 VAL 70 2HG1 VAL 70 -3.001 6.524 5.166 509 3HG1 VAL 70 3HG1 VAL 70 -2.437 7.256 6.670 510 1HG2 VAL 70 1HG2 VAL 70 -1.048 8.570 2.750 511 2HG2 VAL 70 2HG2 VAL 70 -2.121 7.193 2.950 512 3HG2 VAL 70 3HG2 VAL 70 -2.745 8.851 3.197 513 H GLN 71 H GLN 71 -2.249 11.573 6.245 514 HA GLN 71 HA GLN 71 -2.951 10.610 8.997 515 1HB GLN 71 1HB GLN 71 -0.526 11.413 9.106 516 2HB GLN 71 2HB GLN 71 -1.100 13.048 8.786 517 1HG GLN 71 1HG GLN 71 -2.052 13.280 10.932 518 2HG GLN 71 2HG GLN 71 -2.494 11.590 11.086 519 1HE2 GLN 71 1HE2 GLN 71 0.849 12.894 12.852 520 2HE2 GLN 71 2HE2 GLN 71 -0.413 13.984 12.054 521 1HN NH2 72 1HN NH2 72 -2.573 14.083 7.916 522 2HN NH2 72 2HN NH2 72 -4.320 14.431 7.820 No H/Q in entry = 522 Start of MODEL 36 1 1H ACE 1 1HH3 ACE 1 19.634 12.442 0.200 2 2H ACE 1 2HH3 ACE 1 18.003 13.055 -0.250 3 3H ACE 1 3HH3 ACE 1 18.937 13.834 1.058 4 H LYS 2 H LYS 2 17.469 10.675 0.206 5 HA LYS 2 HA LYS 2 17.677 9.784 3.104 6 1HB LYS 2 1HB LYS 2 15.463 9.449 3.460 7 2HB LYS 2 2HB LYS 2 15.298 10.805 2.365 8 1HG LYS 2 1HG LYS 2 15.305 8.224 0.835 9 2HG LYS 2 2HG LYS 2 14.194 8.098 2.175 10 1HD LYS 2 1HD LYS 2 12.820 8.924 0.412 11 2HD LYS 2 2HD LYS 2 13.148 10.388 1.342 12 1HE LYS 2 1HE LYS 2 14.600 11.311 -0.241 13 2HE LYS 2 2HE LYS 2 15.186 9.754 -0.855 14 1HZ LYS 2 1HZ LYS 2 12.274 10.488 -1.333 15 2HZ LYS 2 2HZ LYS 2 13.442 10.958 -2.419 16 3HZ LYS 2 3HZ LYS 2 13.130 9.409 -2.076 17 H SER 3 H SER 3 17.461 7.449 3.373 18 HA SER 3 HA SER 3 18.512 5.834 1.049 19 1HB SER 3 1HB SER 3 19.254 6.030 3.642 20 2HB SER 3 2HB SER 3 18.157 4.684 3.844 21 HG SER 3 HG SER 3 19.662 3.476 3.085 22 H GLU 4 H GLU 4 16.972 5.223 -0.335 23 HA GLU 4 HA GLU 4 14.191 4.378 0.354 24 1HB GLU 4 1HB GLU 4 15.217 5.296 -1.961 25 2HB GLU 4 2HB GLU 4 15.348 3.577 -2.246 26 1HG GLU 4 1HG GLU 4 12.908 3.279 -2.235 27 2HG GLU 4 2HG GLU 4 12.629 4.846 -1.485 28 H GLU 5 H GLU 5 17.225 2.800 0.438 29 HA GLU 5 HA GLU 5 16.676 0.294 -0.687 30 1HB GLU 5 1HB GLU 5 18.891 0.573 -0.429 31 2HB GLU 5 2HB GLU 5 18.779 1.336 1.128 32 1HG GLU 5 1HG GLU 5 18.374 -1.070 2.141 33 2HG GLU 5 2HG GLU 5 18.797 -1.710 0.563 34 H GLU 6 H GLU 6 16.280 0.927 2.798 35 HA GLU 6 HA GLU 6 15.403 -1.808 3.389 36 1HB GLU 6 1HB GLU 6 14.948 -0.873 5.722 37 2HB GLU 6 2HB GLU 6 16.580 -0.883 5.126 38 1HG GLU 6 1HG GLU 6 14.935 1.711 4.876 39 2HG GLU 6 2HG GLU 6 15.607 1.267 6.435 40 H LEU 7 H LEU 7 13.485 1.204 3.524 41 HA LEU 7 HA LEU 7 10.745 0.106 3.544 42 1HB LEU 7 1HB LEU 7 12.000 2.610 2.333 43 2HB LEU 7 2HB LEU 7 10.335 2.216 1.981 44 HG LEU 7 HG LEU 7 11.300 3.700 4.191 45 1HD1 LEU 7 1HD1 LEU 7 9.115 4.001 3.039 46 2HD1 LEU 7 2HD1 LEU 7 8.499 2.471 3.716 47 3HD1 LEU 7 3HD1 LEU 7 8.873 3.848 4.786 48 1HD2 LEU 7 1HD2 LEU 7 10.190 0.972 5.189 49 2HD2 LEU 7 2HD2 LEU 7 11.807 1.653 5.520 50 3HD2 LEU 7 3HD2 LEU 7 10.374 2.435 6.193 51 H ALA 8 H ALA 8 12.731 0.895 0.609 52 HA ALA 8 HA ALA 8 11.627 -0.533 -1.432 53 1HB ALA 8 1HB ALA 8 14.585 -0.767 -0.551 54 2HB ALA 8 2HB ALA 8 13.968 -1.148 -2.172 55 3HB ALA 8 3HB ALA 8 13.867 0.509 -1.563 56 H ASN 9 H ASN 9 13.879 -2.475 0.561 57 HA ASN 9 HA ASN 9 13.133 -5.111 -0.323 58 1HB ASN 9 1HB ASN 9 14.054 -4.370 2.541 59 2HB ASN 9 2HB ASN 9 14.175 -5.942 1.800 60 1HD2 ASN 9 1HD2 ASN 9 17.503 -4.414 1.452 61 2HD2 ASN 9 2HD2 ASN 9 16.407 -4.969 2.796 62 H ALA 10 H ALA 10 11.750 -3.416 2.508 63 HA ALA 10 HA ALA 10 9.745 -5.449 3.233 64 1HB ALA 10 1HB ALA 10 10.655 -3.694 4.768 65 2HB ALA 10 2HB ALA 10 9.824 -2.413 3.846 66 3HB ALA 10 3HB ALA 10 8.882 -3.638 4.723 67 H PHE 11 H PHE 11 9.426 -2.564 1.110 68 HA PHE 11 HA PHE 11 6.646 -2.972 0.343 69 1HB PHE 11 1HB PHE 11 7.947 -0.878 -0.026 70 2HB PHE 11 2HB PHE 11 8.957 -1.666 -1.191 71 HD1 PHE 11 HD1 PHE 11 5.523 -0.266 -0.700 72 HD2 PHE 11 HD2 PHE 11 8.227 -2.089 -3.507 73 HE1 PHE 11 HE1 PHE 11 4.125 0.512 -2.572 74 HE2 PHE 11 HE2 PHE 11 6.795 -1.337 -5.360 75 HZ PHE 11 HZ PHE 11 4.765 -0.017 -4.904 76 H ARG 12 H ARG 12 9.589 -4.310 -1.255 77 HA ARG 12 HA ARG 12 8.153 -6.174 -2.973 78 1HB ARG 12 1HB ARG 12 10.952 -6.273 -1.729 79 2HB ARG 12 2HB ARG 12 10.365 -7.583 -2.748 80 1HG ARG 12 1HG ARG 12 11.178 -4.755 -3.481 81 2HG ARG 12 2HG ARG 12 11.464 -6.259 -4.366 82 1HD ARG 12 1HD ARG 12 8.590 -5.859 -4.394 83 2HD ARG 12 2HD ARG 12 9.325 -4.272 -4.753 84 HE ARG 12 HE ARG 12 10.186 -5.159 -6.837 85 1HH1 ARG 12 2HH1 ARG 12 9.244 -7.830 -4.840 86 2HH1 ARG 12 1HH1 ARG 12 9.485 -9.034 -6.195 87 1HH2 ARG 12 1HH2 ARG 12 10.426 -6.515 -8.344 88 2HH2 ARG 12 2HH2 ARG 12 10.128 -8.298 -8.097 89 H ILE 13 H ILE 13 9.155 -6.582 0.445 90 HA ILE 13 HA ILE 13 8.766 -9.542 0.474 91 HB ILE 13 HB ILE 13 9.385 -7.488 2.644 92 1HG1 ILE 13 1HG1 ILE 13 11.356 -8.156 1.281 93 2HG1 ILE 13 2HG1 ILE 13 11.523 -8.703 2.927 94 1HG2 ILE 13 1HG2 ILE 13 7.912 -9.203 3.771 95 2HG2 ILE 13 2HG2 ILE 13 8.930 -10.523 3.148 96 3HG2 ILE 13 3HG2 ILE 13 9.561 -9.373 4.344 97 1HD1 ILE 13 1HD1 ILE 13 10.865 -11.055 2.319 98 2HD1 ILE 13 2HD1 ILE 13 10.744 -10.572 0.608 99 3HD1 ILE 13 3HD1 ILE 13 12.307 -10.489 1.445 100 H PHE 14 H PHE 14 6.807 -6.752 1.296 101 HA PHE 14 HA PHE 14 4.328 -8.205 2.208 102 1HB PHE 14 1HB PHE 14 4.775 -5.424 0.935 103 2HB PHE 14 2HB PHE 14 3.205 -6.027 1.350 104 HD1 PHE 14 HD1 PHE 14 4.087 -7.441 4.054 105 HD2 PHE 14 HD2 PHE 14 4.779 -3.525 2.431 106 HE1 PHE 14 HE1 PHE 14 4.392 -6.549 6.329 107 HE2 PHE 14 HE2 PHE 14 5.105 -2.643 4.708 108 HZ PHE 14 HZ PHE 14 4.878 -4.150 6.666 109 H ASP 15 H ASP 15 4.893 -6.463 -0.889 110 HA ASP 15 HA ASP 15 2.652 -7.652 -2.343 111 1HB ASP 15 1HB ASP 15 3.782 -5.502 -2.933 112 2HB ASP 15 2HB ASP 15 5.253 -6.353 -3.378 113 H LYS 16 H LYS 16 2.365 -9.776 -2.815 114 HA LYS 16 HA LYS 16 4.804 -11.582 -2.577 115 1HB LYS 16 1HB LYS 16 3.591 -13.206 -1.484 116 2HB LYS 16 2HB LYS 16 2.744 -11.795 -0.914 117 1HG LYS 16 1HG LYS 16 1.236 -12.511 -3.211 118 2HG LYS 16 2HG LYS 16 1.847 -14.074 -2.682 119 1HD LYS 16 1HD LYS 16 0.432 -14.184 -0.880 120 2HD LYS 16 2HD LYS 16 0.849 -12.547 -0.377 121 1HE LYS 16 1HE LYS 16 -0.783 -11.995 -2.588 122 2HE LYS 16 2HE LYS 16 -1.589 -13.411 -1.881 123 1HZ LYS 16 1HZ LYS 16 -0.621 -11.181 -0.044 124 2HZ LYS 16 2HZ LYS 16 -2.104 -11.090 -0.765 125 3HZ LYS 16 3HZ LYS 16 -1.766 -12.325 0.240 126 H ASN 17 H ASN 17 3.913 -10.133 -4.986 127 HA ASN 17 HA ASN 17 4.249 -12.439 -6.910 128 1HB ASN 17 1HB ASN 17 1.885 -12.511 -6.704 129 2HB ASN 17 2HB ASN 17 1.699 -10.778 -6.699 130 1HD2 ASN 17 1HD2 ASN 17 1.372 -12.731 -10.169 131 2HD2 ASN 17 2HD2 ASN 17 2.135 -13.585 -8.787 132 H ALA 18 H ALA 18 3.941 -8.919 -6.536 133 HA ALA 18 HA ALA 18 5.525 -7.232 -7.191 134 1HB ALA 18 1HB ALA 18 7.072 -9.097 -6.489 135 2HB ALA 18 2HB ALA 18 7.067 -9.721 -8.154 136 3HB ALA 18 3HB ALA 18 7.772 -8.130 -7.817 137 H ASP 19 H ASP 19 3.429 -7.889 -9.142 138 HA ASP 19 HA ASP 19 4.323 -7.109 -11.858 139 1HB ASP 19 1HB ASP 19 1.730 -6.587 -10.274 140 2HB ASP 19 2HB ASP 19 1.947 -6.066 -11.939 141 H GLY 20 H GLY 20 3.956 -5.290 -8.846 142 1HA GLY 20 1HA GLY 20 6.025 -3.319 -9.156 143 2HA GLY 20 2HA GLY 20 4.672 -2.666 -10.086 144 H TYR 21 H TYR 21 2.636 -3.767 -8.155 145 HA TYR 21 HA TYR 21 2.701 -1.138 -6.547 146 1HB TYR 21 1HB TYR 21 0.227 -2.547 -7.738 147 2HB TYR 21 2HB TYR 21 0.217 -1.067 -6.826 148 HD1 TYR 21 HD1 TYR 21 3.068 -0.381 -8.514 149 HD2 TYR 21 HD2 TYR 21 -1.074 -1.068 -9.447 150 HE1 TYR 21 HE1 TYR 21 3.320 0.888 -10.609 151 HE2 TYR 21 HE2 TYR 21 -0.783 0.181 -11.561 152 HH TYR 21 HH TYR 21 1.300 2.261 -12.147 153 H ILE 22 H ILE 22 1.114 -1.085 -4.709 154 HA ILE 22 HA ILE 22 0.602 -3.800 -3.360 155 HB ILE 22 HB ILE 22 0.880 -1.089 -1.954 156 1HG1 ILE 22 1HG1 ILE 22 2.816 -3.478 -2.100 157 2HG1 ILE 22 2HG1 ILE 22 3.141 -1.805 -2.463 158 1HG2 ILE 22 1HG2 ILE 22 -0.804 -2.571 -0.774 159 2HG2 ILE 22 2HG2 ILE 22 0.383 -3.888 -0.692 160 3HG2 ILE 22 3HG2 ILE 22 0.631 -2.375 0.217 161 1HD1 ILE 22 1HD1 ILE 22 2.858 -1.162 -0.014 162 2HD1 ILE 22 2HD1 ILE 22 2.729 -2.895 0.380 163 3HD1 ILE 22 3HD1 ILE 22 4.220 -2.261 -0.346 164 H ASP 23 H ASP 23 -1.469 -4.162 -2.477 165 HA ASP 23 HA ASP 23 -3.691 -2.511 -3.774 166 1HB ASP 23 1HB ASP 23 -4.724 -4.843 -4.457 167 2HB ASP 23 2HB ASP 23 -3.436 -4.158 -5.438 168 H ILE 24 H ILE 24 -5.892 -3.198 -3.041 169 HA ILE 24 HA ILE 24 -5.996 -3.042 -0.034 170 HB ILE 24 HB ILE 24 -7.576 -1.866 -1.856 171 1HG1 ILE 24 1HG1 ILE 24 -8.028 -0.998 0.256 172 2HG1 ILE 24 2HG1 ILE 24 -9.509 -1.884 0.011 173 1HG2 ILE 24 1HG2 ILE 24 -8.621 -3.991 -2.769 174 2HG2 ILE 24 2HG2 ILE 24 -9.241 -4.394 -1.155 175 3HG2 ILE 24 3HG2 ILE 24 -9.848 -2.971 -2.039 176 1HD1 ILE 24 1HD1 ILE 24 -8.603 -3.864 1.330 177 2HD1 ILE 24 2HD1 ILE 24 -7.184 -2.877 1.756 178 3HD1 ILE 24 3HD1 ILE 24 -8.803 -2.367 2.278 179 H GLU 25 H GLU 25 -6.256 -5.542 -2.434 180 HA GLU 25 HA GLU 25 -7.378 -7.633 -0.599 181 1HB GLU 25 1HB GLU 25 -7.476 -7.512 -3.221 182 2HB GLU 25 2HB GLU 25 -5.903 -8.248 -3.186 183 1HG GLU 25 1HG GLU 25 -6.754 -10.343 -2.281 184 2HG GLU 25 2HG GLU 25 -8.235 -9.613 -1.690 185 H GLU 26 H GLU 26 -4.160 -6.553 -1.502 186 HA GLU 26 HA GLU 26 -2.720 -8.470 0.305 187 1HB GLU 26 1HB GLU 26 -1.805 -6.008 -1.227 188 2HB GLU 26 2HB GLU 26 -0.761 -6.787 -0.077 189 1HG GLU 26 1HG GLU 26 -0.774 -8.918 -1.438 190 2HG GLU 26 2HG GLU 26 -1.948 -8.241 -2.552 191 H LEU 27 H LEU 27 -4.352 -5.449 0.754 192 HA LEU 27 HA LEU 27 -2.950 -4.264 3.066 193 1HB LEU 27 1HB LEU 27 -4.627 -3.095 1.629 194 2HB LEU 27 2HB LEU 27 -5.905 -4.115 2.236 195 HG LEU 27 HG LEU 27 -5.604 -1.671 3.210 196 1HD1 LEU 27 1HD1 LEU 27 -7.303 -3.324 3.995 197 2HD1 LEU 27 2HD1 LEU 27 -6.119 -4.068 5.106 198 3HD1 LEU 27 3HD1 LEU 27 -6.659 -2.380 5.336 199 1HD2 LEU 27 1HD2 LEU 27 -3.611 -3.202 5.044 200 2HD2 LEU 27 2HD2 LEU 27 -3.200 -1.865 3.930 201 3HD2 LEU 27 3HD2 LEU 27 -4.254 -1.559 5.315 202 H GLY 28 H GLY 28 -6.161 -5.795 3.399 203 1HA GLY 28 1HA GLY 28 -6.023 -6.114 6.336 204 2HA GLY 28 2HA GLY 28 -7.171 -6.936 5.272 205 H GLU 29 H GLU 29 -5.157 -8.320 3.688 206 HA GLU 29 HA GLU 29 -4.705 -10.664 5.435 207 1HB GLU 29 1HB GLU 29 -5.408 -10.542 2.922 208 2HB GLU 29 2HB GLU 29 -3.711 -10.456 2.564 209 1HG GLU 29 1HG GLU 29 -3.555 -12.736 4.030 210 2HG GLU 29 2HG GLU 29 -5.282 -12.829 3.734 211 H ILE 30 H ILE 30 -2.532 -8.216 4.173 212 HA ILE 30 HA ILE 30 -0.010 -9.114 5.482 213 HB ILE 30 HB ILE 30 -1.108 -6.350 4.792 214 1HG1 ILE 30 1HG1 ILE 30 1.413 -7.821 3.761 215 2HG1 ILE 30 2HG1 ILE 30 -0.102 -7.728 2.904 216 1HG2 ILE 30 1HG2 ILE 30 0.199 -6.058 6.928 217 2HG2 ILE 30 2HG2 ILE 30 1.598 -6.897 6.209 218 3HG2 ILE 30 3HG2 ILE 30 1.053 -5.317 5.579 219 1HD1 ILE 30 1HD1 ILE 30 1.597 -5.216 3.508 220 2HD1 ILE 30 2HD1 ILE 30 1.458 -6.081 1.963 221 3HD1 ILE 30 3HD1 ILE 30 0.039 -5.261 2.644 222 H LEU 31 H LEU 31 -2.589 -6.898 6.731 223 HA LEU 31 HA LEU 31 -1.136 -6.607 9.343 224 1HB LEU 31 1HB LEU 31 -3.094 -5.180 9.997 225 2HB LEU 31 2HB LEU 31 -2.234 -4.632 8.580 226 HG LEU 31 HG LEU 31 -4.102 -5.824 7.159 227 1HD1 LEU 31 1HD1 LEU 31 -5.502 -5.743 9.916 228 2HD1 LEU 31 2HD1 LEU 31 -6.316 -6.018 8.353 229 3HD1 LEU 31 3HD1 LEU 31 -5.118 -7.181 8.930 230 1HD2 LEU 31 1HD2 LEU 31 -4.774 -3.327 8.876 231 2HD2 LEU 31 2HD2 LEU 31 -4.005 -3.341 7.264 232 3HD2 LEU 31 3HD2 LEU 31 -5.688 -3.849 7.437 233 H ARG 32 H ARG 32 -3.613 -8.756 8.187 234 HA ARG 32 HA ARG 32 -4.064 -9.869 10.982 235 1HB ARG 32 1HB ARG 32 -5.882 -9.234 9.333 236 2HB ARG 32 2HB ARG 32 -5.351 -10.521 8.251 237 1HG ARG 32 1HG ARG 32 -5.947 -12.235 10.011 238 2HG ARG 32 2HG ARG 32 -6.302 -10.938 11.167 239 1HD ARG 32 1HD ARG 32 -7.792 -10.738 8.527 240 2HD ARG 32 2HD ARG 32 -8.228 -12.142 9.527 241 HE ARG 32 HE ARG 32 -8.863 -9.310 10.167 242 1HH1 ARG 32 2HH1 ARG 32 -8.130 -12.322 11.735 243 2HH1 ARG 32 1HH1 ARG 32 -8.955 -11.804 13.281 244 1HH2 ARG 32 1HH2 ARG 32 -9.787 -8.763 11.922 245 2HH2 ARG 32 2HH2 ARG 32 -9.833 -9.880 13.362 246 H ALA 33 H ALA 33 -2.366 -10.691 8.014 247 HA ALA 33 HA ALA 33 -1.732 -13.323 7.953 248 1HB ALA 33 1HB ALA 33 -0.587 -11.586 6.585 249 2HB ALA 33 2HB ALA 33 0.421 -11.105 7.977 250 3HB ALA 33 3HB ALA 33 0.597 -12.720 7.258 251 H THR 34 H THR 34 -0.653 -14.945 8.968 252 HA THR 34 HA THR 34 -0.053 -14.768 11.855 253 HB THR 34 HB THR 34 0.456 -17.181 11.746 254 HG1 THR 34 HG1 THR 34 1.131 -17.998 9.996 255 1HG2 THR 34 2HG2 THR 34 -1.990 -16.358 11.677 256 2HG2 THR 34 3HG2 THR 34 -1.952 -16.528 9.903 257 3HG2 THR 34 1HG2 THR 34 -1.769 -17.961 10.927 258 H GLY 35 H GLY 35 2.134 -16.348 12.289 259 1HA GLY 35 1HA GLY 35 4.647 -16.032 12.536 260 2HA GLY 35 2HA GLY 35 4.521 -14.570 11.550 261 1HN NH2 36 1HN NH2 36 2.125 -15.042 14.173 262 2HN NH2 36 2HN NH2 36 2.815 -13.828 15.283 263 1H ACE 37 1HH3 ACE 37 -19.162 -6.495 13.442 264 2H ACE 37 2HH3 ACE 37 -20.033 -6.500 11.870 265 3H ACE 37 3HH3 ACE 37 -19.365 -8.015 12.530 266 H VAL 38 H VAL 38 -18.410 -4.807 11.349 267 HA VAL 38 HA VAL 38 -16.280 -3.836 10.776 268 HB VAL 38 HB VAL 38 -15.513 -6.124 12.626 269 1HG1 VAL 38 1HG1 VAL 38 -13.478 -4.245 11.219 270 2HG1 VAL 38 2HG1 VAL 38 -13.098 -5.241 12.642 271 3HG1 VAL 38 3HG1 VAL 38 -13.532 -6.014 11.114 272 1HG2 VAL 38 1HG2 VAL 38 -16.445 -4.010 13.665 273 2HG2 VAL 38 2HG2 VAL 38 -14.741 -4.234 14.117 274 3HG2 VAL 38 3HG2 VAL 38 -15.182 -3.052 12.860 275 H THR 39 H THR 39 -15.810 -3.879 8.622 276 HA THR 39 HA THR 39 -14.957 -6.324 7.168 277 HB THR 39 HB THR 39 -17.561 -5.381 5.981 278 HG1 THR 39 HG1 THR 39 -18.328 -7.328 7.378 279 1HG2 THR 39 2HG2 THR 39 -16.254 -8.163 6.398 280 2HG2 THR 39 3HG2 THR 39 -17.738 -7.852 5.464 281 3HG2 THR 39 1HG2 THR 39 -16.187 -7.191 4.909 282 H GLU 40 H GLU 40 -16.236 -5.084 4.614 283 HA GLU 40 HA GLU 40 -13.541 -3.990 3.908 284 1HB GLU 40 1HB GLU 40 -15.992 -4.403 2.138 285 2HB GLU 40 2HB GLU 40 -14.428 -3.913 1.563 286 1HG GLU 40 1HG GLU 40 -13.543 -6.221 2.609 287 2HG GLU 40 2HG GLU 40 -15.235 -6.674 2.682 288 H GLU 41 H GLU 41 -16.737 -2.571 4.395 289 HA GLU 41 HA GLU 41 -16.172 0.093 3.502 290 1HB GLU 41 1HB GLU 41 -18.137 -0.888 5.610 291 2HB GLU 41 2HB GLU 41 -18.061 0.782 5.137 292 1HG GLU 41 1HG GLU 41 -18.933 -1.615 3.399 293 2HG GLU 41 2HG GLU 41 -19.895 -0.226 3.871 294 H ASP 42 H ASP 42 -15.553 -1.183 6.765 295 HA ASP 42 HA ASP 42 -14.684 1.432 7.956 296 1HB ASP 42 1HB ASP 42 -14.720 -1.486 8.886 297 2HB ASP 42 2HB ASP 42 -13.783 -0.303 9.789 298 H ILE 43 H ILE 43 -13.050 -1.334 6.462 299 HA ILE 43 HA ILE 43 -10.241 -0.390 6.994 300 HB ILE 43 HB ILE 43 -11.403 -2.602 5.249 301 1HG1 ILE 43 1HG1 ILE 43 -11.124 -3.483 7.445 302 2HG1 ILE 43 2HG1 ILE 43 -9.701 -4.028 6.600 303 1HG2 ILE 43 1HG2 ILE 43 -9.531 -1.627 3.863 304 2HG2 ILE 43 2HG2 ILE 43 -8.417 -1.737 5.241 305 3HG2 ILE 43 3HG2 ILE 43 -9.059 -3.208 4.468 306 1HD1 ILE 43 1HD1 ILE 43 -8.299 -2.175 7.603 307 2HD1 ILE 43 2HD1 ILE 43 -9.696 -1.686 8.599 308 3HD1 ILE 43 3HD1 ILE 43 -8.981 -3.300 8.800 309 H GLU 44 H GLU 44 -12.684 0.096 4.530 310 HA GLU 44 HA GLU 44 -10.977 1.664 2.627 311 1HB GLU 44 1HB GLU 44 -13.813 0.832 2.766 312 2HB GLU 44 2HB GLU 44 -13.630 2.449 2.158 313 1HG GLU 44 1HG GLU 44 -11.706 0.683 0.752 314 2HG GLU 44 2HG GLU 44 -13.304 -0.039 0.700 315 H ASP 45 H ASP 45 -12.995 2.424 5.410 316 HA ASP 45 HA ASP 45 -12.918 5.393 5.277 317 1HB ASP 45 1HB ASP 45 -13.509 3.328 7.462 318 2HB ASP 45 2HB ASP 45 -13.342 5.025 7.891 319 H LEU 46 H LEU 46 -10.798 3.006 6.872 320 HA LEU 46 HA LEU 46 -8.534 4.783 7.579 321 1HB LEU 46 1HB LEU 46 -8.766 2.402 8.265 322 2HB LEU 46 2HB LEU 46 -8.548 1.859 6.619 323 HG LEU 46 HG LEU 46 -6.170 3.193 6.847 324 1HD1 LEU 46 1HD1 LEU 46 -7.138 2.847 9.703 325 2HD1 LEU 46 2HD1 LEU 46 -5.436 2.440 9.340 326 3HD1 LEU 46 3HD1 LEU 46 -6.044 4.062 8.980 327 1HD2 LEU 46 1HD2 LEU 46 -6.916 0.343 7.664 328 2HD2 LEU 46 2HD2 LEU 46 -6.002 0.906 6.263 329 3HD2 LEU 46 3HD2 LEU 46 -5.230 0.901 7.875 330 H MET 47 H MET 47 -9.071 3.035 4.520 331 HA MET 47 HA MET 47 -6.582 4.105 3.341 332 1HB MET 47 1HB MET 47 -8.070 1.819 2.950 333 2HB MET 47 2HB MET 47 -8.576 2.737 1.542 334 1HG MET 47 1HG MET 47 -5.592 2.777 1.914 335 2HG MET 47 2HG MET 47 -6.279 1.169 1.625 336 1HE MET 47 1HE MET 47 -4.376 1.827 -0.353 337 2HE MET 47 2HE MET 47 -5.564 0.529 -0.668 338 3HE MET 47 3HE MET 47 -5.209 1.729 -1.944 339 H LYS 48 H LYS 48 -9.403 5.831 3.651 340 HA LYS 48 HA LYS 48 -8.173 7.737 1.591 341 1HB LYS 48 1HB LYS 48 -10.497 8.718 1.375 342 2HB LYS 48 2HB LYS 48 -10.297 7.146 0.663 343 1HG LYS 48 1HG LYS 48 -11.597 6.078 2.536 344 2HG LYS 48 2HG LYS 48 -11.467 7.509 3.509 345 1HD LYS 48 1HD LYS 48 -13.311 7.046 1.145 346 2HD LYS 48 2HD LYS 48 -13.747 7.618 2.721 347 1HE LYS 48 1HE LYS 48 -12.748 9.906 2.188 348 2HE LYS 48 2HE LYS 48 -12.092 9.288 0.682 349 1HZ LYS 48 1HZ LYS 48 -15.009 8.806 0.871 350 2HZ LYS 48 2HZ LYS 48 -14.597 10.407 0.764 351 3HZ LYS 48 3HZ LYS 48 -14.149 9.311 -0.359 352 H ASP 49 H ASP 49 -9.281 7.275 4.849 353 HA ASP 49 HA ASP 49 -8.984 10.106 5.824 354 1HB ASP 49 1HB ASP 49 -10.253 8.228 7.056 355 2HB ASP 49 2HB ASP 49 -8.700 7.533 7.499 356 H SER 50 H SER 50 -6.682 7.371 5.445 357 HA SER 50 HA SER 50 -4.407 9.359 5.545 358 1HB SER 50 1HB SER 50 -4.416 6.789 6.279 359 2HB SER 50 2HB SER 50 -4.159 6.452 4.570 360 HG SER 50 HG SER 50 -2.186 6.642 5.530 361 H ASP 51 H ASP 51 -5.746 7.174 3.025 362 HA ASP 51 HA ASP 51 -3.595 7.985 1.162 363 1HB ASP 51 1HB ASP 51 -4.767 5.618 1.703 364 2HB ASP 51 2HB ASP 51 -5.834 6.058 0.378 365 H LYS 52 H LYS 52 -3.603 9.094 -0.689 366 HA LYS 52 HA LYS 52 -6.126 10.258 -1.935 367 1HB LYS 52 1HB LYS 52 -3.511 10.285 -3.409 368 2HB LYS 52 2HB LYS 52 -4.718 11.532 -3.333 369 1HG LYS 52 1HG LYS 52 -2.850 10.851 -0.929 370 2HG LYS 52 2HG LYS 52 -2.348 11.912 -2.207 371 1HD LYS 52 1HD LYS 52 -5.002 12.731 -1.137 372 2HD LYS 52 2HD LYS 52 -3.812 12.740 0.121 373 1HE LYS 52 1HE LYS 52 -4.198 14.970 -1.269 374 2HE LYS 52 2HE LYS 52 -2.532 14.508 -0.925 375 1HZ LYS 52 1HZ LYS 52 -3.747 13.493 -3.517 376 2HZ LYS 52 2HZ LYS 52 -3.099 15.016 -3.456 377 3HZ LYS 52 3HZ LYS 52 -2.215 13.677 -3.157 378 H ASN 53 H ASN 53 -7.358 9.005 -3.137 379 HA ASN 53 HA ASN 53 -6.838 6.166 -3.047 380 1HB ASN 53 1HB ASN 53 -9.145 5.895 -3.858 381 2HB ASN 53 2HB ASN 53 -9.099 7.268 -2.788 382 1HD2 ASN 53 1HD2 ASN 53 -10.059 9.548 -5.379 383 2HD2 ASN 53 2HD2 ASN 53 -9.273 9.409 -3.743 384 H ASN 54 H ASN 54 -7.202 8.148 -6.012 385 HA ASN 54 HA ASN 54 -7.411 7.429 -8.304 386 1HB ASN 54 1HB ASN 54 -4.731 6.121 -7.443 387 2HB ASN 54 2HB ASN 54 -5.276 6.147 -9.097 388 1HD2 ASN 54 1HD2 ASN 54 -3.409 9.377 -7.664 389 2HD2 ASN 54 2HD2 ASN 54 -3.593 7.837 -6.711 390 H ASP 55 H ASP 55 -9.143 6.134 -8.695 391 HA ASP 55 HA ASP 55 -10.582 4.585 -7.071 392 1HB ASP 55 1HB ASP 55 -10.380 4.577 -9.869 393 2HB ASP 55 2HB ASP 55 -10.119 2.877 -9.502 394 H GLY 56 H GLY 56 -8.253 4.347 -5.795 395 1HA GLY 56 1HA GLY 56 -8.005 2.901 -3.848 396 2HA GLY 56 2HA GLY 56 -8.998 1.696 -4.676 397 H ARG 57 H ARG 57 -5.942 2.892 -6.005 398 HA ARG 57 HA ARG 57 -4.462 0.374 -5.066 399 1HB ARG 57 1HB ARG 57 -5.133 1.326 -7.844 400 2HB ARG 57 2HB ARG 57 -3.484 0.738 -7.633 401 1HG ARG 57 1HG ARG 57 -4.866 -1.301 -6.336 402 2HG ARG 57 2HG ARG 57 -6.127 -0.773 -7.449 403 1HD ARG 57 1HD ARG 57 -4.256 -0.971 -9.348 404 2HD ARG 57 2HD ARG 57 -3.317 -1.836 -8.132 405 HE ARG 57 HE ARG 57 -5.143 -3.550 -7.821 406 1HH1 ARG 57 2HH1 ARG 57 -5.270 -1.731 -10.767 407 2HH1 ARG 57 1HH1 ARG 57 -6.346 -2.997 -11.559 408 1HH2 ARG 57 1HH2 ARG 57 -6.298 -4.904 -8.718 409 2HH2 ARG 57 2HH2 ARG 57 -6.836 -4.757 -10.462 410 H ILE 58 H ILE 58 -2.450 0.575 -4.424 411 HA ILE 58 HA ILE 58 -1.176 3.337 -4.382 412 HB ILE 58 HB ILE 58 -0.950 0.964 -2.467 413 1HG1 ILE 58 1HG1 ILE 58 -2.065 3.824 -2.069 414 2HG1 ILE 58 2HG1 ILE 58 -3.012 2.367 -2.184 415 1HG2 ILE 58 1HG2 ILE 58 1.332 2.056 -2.600 416 2HG2 ILE 58 2HG2 ILE 58 0.613 3.642 -2.256 417 3HG2 ILE 58 3HG2 ILE 58 0.596 2.353 -1.029 418 1HD1 ILE 58 1HD1 ILE 58 -1.987 1.437 -0.060 419 2HD1 ILE 58 2HD1 ILE 58 -1.109 2.973 0.157 420 3HD1 ILE 58 3HD1 ILE 58 -2.886 2.957 0.172 421 H ASP 59 H ASP 59 0.716 3.744 -5.409 422 HA ASP 59 HA ASP 59 2.688 1.472 -5.913 423 1HB ASP 59 1HB ASP 59 3.609 2.915 -7.704 424 2HB ASP 59 2HB ASP 59 1.872 2.728 -7.897 425 H PHE 60 H PHE 60 5.078 2.541 -6.099 426 HA PHE 60 HA PHE 60 5.880 2.172 -3.330 427 1HB PHE 60 1HB PHE 60 7.213 1.624 -5.476 428 2HB PHE 60 2HB PHE 60 7.658 3.295 -5.579 429 HD1 PHE 60 HD1 PHE 60 8.311 4.016 -2.705 430 HD2 PHE 60 HD2 PHE 60 9.233 0.483 -4.969 431 HE1 PHE 60 HE1 PHE 60 10.291 3.613 -1.288 432 HE2 PHE 60 HE2 PHE 60 11.172 0.063 -3.526 433 HZ PHE 60 HZ PHE 60 11.727 1.636 -1.696 434 H ASP 61 H ASP 61 5.638 5.183 -5.176 435 HA ASP 61 HA ASP 61 6.624 7.161 -3.267 436 1HB ASP 61 1HB ASP 61 4.085 7.628 -5.027 437 2HB ASP 61 2HB ASP 61 5.497 8.615 -4.738 438 H GLU 62 H GLU 62 3.208 6.513 -3.796 439 HA GLU 62 HA GLU 62 2.010 7.486 -1.360 440 1HB GLU 62 1HB GLU 62 1.078 5.007 -2.876 441 2HB GLU 62 2HB GLU 62 0.127 5.950 -1.768 442 1HG GLU 62 1HG GLU 62 0.740 7.959 -3.588 443 2HG GLU 62 2HG GLU 62 0.879 6.578 -4.660 444 H PHE 63 H PHE 63 3.986 4.579 -1.635 445 HA PHE 63 HA PHE 63 3.235 3.329 0.995 446 1HB PHE 63 1HB PHE 63 4.433 2.189 -1.019 447 2HB PHE 63 2HB PHE 63 5.872 3.034 -0.557 448 HD1 PHE 63 HD1 PHE 63 7.219 2.431 1.401 449 HD2 PHE 63 HD2 PHE 63 3.697 0.175 0.387 450 HE1 PHE 63 HE1 PHE 63 7.886 0.678 2.964 451 HE2 PHE 63 HE2 PHE 63 4.387 -1.580 1.971 452 HZ PHE 63 HZ PHE 63 6.419 -1.277 3.349 453 H LEU 64 H LEU 64 6.055 5.260 -0.064 454 HA LEU 64 HA LEU 64 7.307 5.655 2.518 455 1HB LEU 64 1HB LEU 64 7.368 7.396 -0.001 456 2HB LEU 64 2HB LEU 64 8.340 7.772 1.402 457 HG LEU 64 HG LEU 64 8.552 5.090 -0.096 458 1HD1 LEU 64 1HD1 LEU 64 10.179 7.694 -0.497 459 2HD1 LEU 64 2HD1 LEU 64 10.631 6.097 -1.153 460 3HD1 LEU 64 3HD1 LEU 64 9.126 6.860 -1.673 461 1HD2 LEU 64 1HD2 LEU 64 10.437 6.455 1.963 462 2HD2 LEU 64 2HD2 LEU 64 9.523 4.935 2.188 463 3HD2 LEU 64 3HD2 LEU 64 10.845 5.002 1.016 464 H LYS 65 H LYS 65 4.688 7.536 1.073 465 HA LYS 65 HA LYS 65 4.557 9.553 3.290 466 1HB LYS 65 1HB LYS 65 2.663 8.864 0.970 467 2HB LYS 65 2HB LYS 65 2.640 10.372 1.865 468 1HG LYS 65 1HG LYS 65 5.265 10.377 0.859 469 2HG LYS 65 2HG LYS 65 4.443 9.393 -0.366 470 1HD LYS 65 1HD LYS 65 2.677 11.105 -0.669 471 2HD LYS 65 2HD LYS 65 3.362 12.140 0.588 472 1HE LYS 65 1HE LYS 65 5.530 12.047 -1.126 473 2HE LYS 65 2HE LYS 65 4.271 11.597 -2.291 474 1HZ LYS 65 1HZ LYS 65 3.748 14.001 -0.514 475 2HZ LYS 65 2HZ LYS 65 4.699 14.177 -1.825 476 3HZ LYS 65 3HZ LYS 65 3.175 13.708 -2.032 477 H MET 66 H MET 66 2.305 6.886 2.293 478 HA MET 66 HA MET 66 0.632 6.617 4.485 479 1HB MET 66 1HB MET 66 0.311 5.004 2.814 480 2HB MET 66 2HB MET 66 2.007 4.578 2.723 481 1HG MET 66 1HG MET 66 1.920 3.207 4.765 482 2HG MET 66 2HG MET 66 0.268 3.739 5.132 483 1HE MET 66 1HE MET 66 2.142 0.888 4.161 484 2HE MET 66 2HE MET 66 1.614 0.306 2.554 485 3HE MET 66 3HE MET 66 2.620 1.781 2.683 486 H MET 67 H MET 67 3.946 5.212 4.568 487 HA MET 67 HA MET 67 3.901 4.593 7.466 488 1HB MET 67 1HB MET 67 5.413 3.382 5.898 489 2HB MET 67 2HB MET 67 6.234 4.871 5.475 490 1HG MET 67 1HG MET 67 7.707 3.734 7.017 491 2HG MET 67 2HG MET 67 7.035 5.107 7.917 492 1HE MET 67 1HE MET 67 8.395 2.213 8.818 493 2HE MET 67 2HE MET 67 7.224 0.990 9.402 494 3HE MET 67 3HE MET 67 7.442 1.248 7.644 495 H GLU 68 H GLU 68 5.760 7.091 5.692 496 HA GLU 68 HA GLU 68 6.562 8.294 8.338 497 1HB GLU 68 1HB GLU 68 8.619 8.258 7.575 498 2HB GLU 68 2HB GLU 68 8.037 7.357 6.208 499 1HG GLU 68 1HG GLU 68 7.955 9.432 4.793 500 2HG GLU 68 2HG GLU 68 8.327 10.448 6.173 501 H GLY 69 H GLY 69 4.714 9.255 5.615 502 1HA GLY 69 1HA GLY 69 4.469 12.103 5.504 503 2HA GLY 69 2HA GLY 69 3.071 11.028 5.610 504 H VAL 70 H VAL 70 4.014 13.765 6.954 505 HA VAL 70 HA VAL 70 2.218 13.093 9.356 506 HB VAL 70 HB VAL 70 4.055 15.502 8.886 507 1HG1 VAL 70 1HG1 VAL 70 2.106 15.017 11.253 508 2HG1 VAL 70 2HG1 VAL 70 3.363 16.280 11.207 509 3HG1 VAL 70 3HG1 VAL 70 2.015 16.343 10.070 510 1HG2 VAL 70 1HG2 VAL 70 5.248 13.437 9.725 511 2HG2 VAL 70 2HG2 VAL 70 5.257 14.707 10.939 512 3HG2 VAL 70 3HG2 VAL 70 4.136 13.323 11.107 513 H GLN 71 H GLN 71 0.254 14.163 9.581 514 HA GLN 71 HA GLN 71 -0.708 15.902 7.276 515 1HB GLN 71 1HB GLN 71 -2.986 15.040 7.824 516 2HB GLN 71 2HB GLN 71 -1.836 13.781 7.382 517 1HG GLN 71 1HG GLN 71 -1.492 13.613 10.078 518 2HG GLN 71 2HG GLN 71 -3.061 14.393 10.148 519 1HE2 GLN 71 1HE2 GLN 71 -4.771 11.415 9.132 520 2HE2 GLN 71 2HE2 GLN 71 -4.866 13.253 9.307 521 1HN NH2 72 1HN NH2 72 0.730 16.874 9.874 522 2HN NH2 72 2HN NH2 72 -0.377 18.094 10.558 No H/Q in entry = 522 Start of MODEL 37 1 1H ACE 1 1HH3 ACE 1 21.992 5.959 -1.030 2 2H ACE 1 2HH3 ACE 1 22.961 7.302 -0.326 3 3H ACE 1 3HH3 ACE 1 23.450 5.602 -0.078 4 H LYS 2 H LYS 2 20.537 7.614 0.435 5 HA LYS 2 HA LYS 2 20.483 6.928 3.326 6 1HB LYS 2 1HB LYS 2 19.201 8.927 1.541 7 2HB LYS 2 2HB LYS 2 18.113 8.417 2.814 8 1HG LYS 2 1HG LYS 2 19.727 9.246 4.563 9 2HG LYS 2 2HG LYS 2 21.015 9.370 3.393 10 1HD LYS 2 1HD LYS 2 20.011 11.612 4.056 11 2HD LYS 2 2HD LYS 2 19.999 11.344 2.312 12 1HE LYS 2 1HE LYS 2 17.592 10.432 2.515 13 2HE LYS 2 2HE LYS 2 17.558 10.960 4.207 14 1HZ LYS 2 1HZ LYS 2 18.403 13.002 2.131 15 2HZ LYS 2 2HZ LYS 2 16.783 12.766 2.419 16 3HZ LYS 2 3HZ LYS 2 17.819 13.253 3.561 17 H SER 3 H SER 3 18.597 6.045 4.480 18 HA SER 3 HA SER 3 17.155 3.813 3.790 19 1HB SER 3 1HB SER 3 15.322 4.580 5.303 20 2HB SER 3 2HB SER 3 16.910 4.851 5.982 21 HG SER 3 HG SER 3 15.871 6.711 6.316 22 H GLU 4 H GLU 4 16.610 3.411 1.738 23 HA GLU 4 HA GLU 4 13.864 4.080 1.051 24 1HB GLU 4 1HB GLU 4 13.775 5.383 -0.762 25 2HB GLU 4 2HB GLU 4 15.097 6.084 0.140 26 1HG GLU 4 1HG GLU 4 16.763 5.324 -1.507 27 2HG GLU 4 2HG GLU 4 15.633 4.206 -2.263 28 H GLU 5 H GLU 5 16.833 2.539 0.009 29 HA GLU 5 HA GLU 5 15.573 0.803 -1.970 30 1HB GLU 5 1HB GLU 5 18.050 1.694 -1.688 31 2HB GLU 5 2HB GLU 5 18.320 0.199 -0.844 32 1HG GLU 5 1HG GLU 5 18.328 -1.072 -2.813 33 2HG GLU 5 2HG GLU 5 16.997 -0.191 -3.539 34 H GLU 6 H GLU 6 16.065 0.248 1.437 35 HA GLU 6 HA GLU 6 15.254 -2.628 1.212 36 1HB GLU 6 1HB GLU 6 16.376 -0.887 3.382 37 2HB GLU 6 2HB GLU 6 15.430 -2.245 3.910 38 1HG GLU 6 1HG GLU 6 17.477 -3.351 3.865 39 2HG GLU 6 2HG GLU 6 17.133 -3.587 2.161 40 H LEU 7 H LEU 7 13.607 0.332 1.986 41 HA LEU 7 HA LEU 7 10.918 -0.985 2.466 42 1HB LEU 7 1HB LEU 7 11.698 1.870 1.660 43 2HB LEU 7 2HB LEU 7 10.041 1.347 1.839 44 HG LEU 7 HG LEU 7 12.008 2.128 3.924 45 1HD1 LEU 7 1HD1 LEU 7 9.889 3.355 3.482 46 2HD1 LEU 7 2HD1 LEU 7 8.920 1.917 3.893 47 3HD1 LEU 7 3HD1 LEU 7 9.903 2.732 5.138 48 1HD2 LEU 7 1HD2 LEU 7 10.234 -0.368 4.466 49 2HD2 LEU 7 2HD2 LEU 7 12.017 -0.290 4.530 50 3HD2 LEU 7 3HD2 LEU 7 11.059 0.597 5.719 51 H ALA 8 H ALA 8 12.899 -0.102 -0.326 52 HA ALA 8 HA ALA 8 10.883 -0.917 -2.324 53 1HB ALA 8 1HB ALA 8 13.951 -0.552 -2.504 54 2HB ALA 8 2HB ALA 8 12.860 -0.729 -3.892 55 3HB ALA 8 3HB ALA 8 12.706 0.676 -2.831 56 H ASN 9 H ASN 9 13.668 -2.740 -0.951 57 HA ASN 9 HA ASN 9 12.895 -5.369 -2.068 58 1HB ASN 9 1HB ASN 9 14.428 -4.851 0.571 59 2HB ASN 9 2HB ASN 9 14.461 -6.304 -0.388 60 1HD2 ASN 9 1HD2 ASN 9 16.349 -4.080 -2.921 61 2HD2 ASN 9 2HD2 ASN 9 14.601 -4.588 -2.930 62 H ALA 10 H ALA 10 11.917 -3.712 0.930 63 HA ALA 10 HA ALA 10 10.034 -5.760 1.907 64 1HB ALA 10 1HB ALA 10 11.000 -3.908 3.283 65 2HB ALA 10 2HB ALA 10 10.072 -2.697 2.361 66 3HB ALA 10 3HB ALA 10 9.227 -3.897 3.363 67 H PHE 11 H PHE 11 9.393 -2.841 -0.089 68 HA PHE 11 HA PHE 11 6.563 -3.306 -0.553 69 1HB PHE 11 1HB PHE 11 7.724 -1.131 -0.868 70 2HB PHE 11 2HB PHE 11 8.617 -1.753 -2.215 71 HD1 PHE 11 HD1 PHE 11 4.944 -2.523 -1.907 72 HD2 PHE 11 HD2 PHE 11 7.917 -0.042 -3.783 73 HE1 PHE 11 HE1 PHE 11 3.226 -1.565 -3.392 74 HE2 PHE 11 HE2 PHE 11 6.193 0.876 -5.280 75 HZ PHE 11 HZ PHE 11 3.849 0.148 -5.068 76 H ARG 12 H ARG 12 9.268 -4.165 -2.791 77 HA ARG 12 HA ARG 12 7.837 -5.922 -4.530 78 1HB ARG 12 1HB ARG 12 10.064 -5.498 -5.137 79 2HB ARG 12 2HB ARG 12 10.716 -5.875 -3.547 80 1HG ARG 12 1HG ARG 12 11.128 -8.046 -4.156 81 2HG ARG 12 2HG ARG 12 9.444 -8.309 -4.625 82 1HD ARG 12 1HD ARG 12 10.313 -6.785 -6.795 83 2HD ARG 12 2HD ARG 12 11.831 -7.612 -6.350 84 HE ARG 12 HE ARG 12 9.206 -9.087 -6.977 85 1HH1 ARG 12 2HH1 ARG 12 12.669 -9.095 -6.857 86 2HH1 ARG 12 1HH1 ARG 12 12.774 -10.737 -7.656 87 1HH2 ARG 12 1HH2 ARG 12 9.342 -10.929 -7.846 88 2HH2 ARG 12 2HH2 ARG 12 10.950 -11.722 -8.182 89 H ILE 13 H ILE 13 9.086 -6.761 -1.278 90 HA ILE 13 HA ILE 13 8.693 -9.708 -1.566 91 HB ILE 13 HB ILE 13 9.413 -7.900 0.781 92 1HG1 ILE 13 1HG1 ILE 13 11.186 -8.756 -0.998 93 2HG1 ILE 13 2HG1 ILE 13 11.583 -8.775 0.699 94 1HG2 ILE 13 1HG2 ILE 13 7.946 -9.694 1.787 95 2HG2 ILE 13 2HG2 ILE 13 8.916 -10.962 1.002 96 3HG2 ILE 13 3HG2 ILE 13 9.610 -9.946 2.281 97 1HD1 ILE 13 1HD1 ILE 13 11.062 -11.229 0.897 98 2HD1 ILE 13 2HD1 ILE 13 10.709 -11.289 -0.847 99 3HD1 ILE 13 3HD1 ILE 13 12.344 -10.885 -0.287 100 H PHE 14 H PHE 14 6.777 -7.025 -0.351 101 HA PHE 14 HA PHE 14 4.470 -8.609 0.722 102 1HB PHE 14 1HB PHE 14 4.728 -5.673 -0.209 103 2HB PHE 14 2HB PHE 14 3.241 -6.338 0.384 104 HD1 PHE 14 HD1 PHE 14 6.447 -7.399 1.951 105 HD2 PHE 14 HD2 PHE 14 3.099 -4.724 2.240 106 HE1 PHE 14 HE1 PHE 14 7.103 -6.819 4.254 107 HE2 PHE 14 HE2 PHE 14 3.772 -4.131 4.533 108 HZ PHE 14 HZ PHE 14 5.775 -5.166 5.544 109 H ASP 15 H ASP 15 5.249 -7.110 -2.415 110 HA ASP 15 HA ASP 15 2.694 -7.743 -3.696 111 1HB ASP 15 1HB ASP 15 4.173 -5.813 -4.284 112 2HB ASP 15 2HB ASP 15 5.400 -6.898 -4.919 113 H LYS 16 H LYS 16 1.946 -9.700 -4.283 114 HA LYS 16 HA LYS 16 3.954 -11.982 -4.476 115 1HB LYS 16 1HB LYS 16 1.880 -13.485 -3.964 116 2HB LYS 16 2HB LYS 16 2.637 -12.626 -2.653 117 1HG LYS 16 1HG LYS 16 0.720 -11.267 -2.294 118 2HG LYS 16 2HG LYS 16 0.311 -11.210 -4.004 119 1HD LYS 16 1HD LYS 16 0.042 -13.933 -2.696 120 2HD LYS 16 2HD LYS 16 -1.041 -12.678 -2.100 121 1HE LYS 16 1HE LYS 16 -2.470 -12.913 -3.808 122 2HE LYS 16 2HE LYS 16 -1.214 -12.510 -4.996 123 1HZ LYS 16 1HZ LYS 16 -1.184 -15.259 -3.732 124 2HZ LYS 16 2HZ LYS 16 -2.268 -14.962 -4.909 125 3HZ LYS 16 3HZ LYS 16 -0.663 -14.856 -5.248 126 H ASN 17 H ASN 17 2.493 -10.005 -6.573 127 HA ASN 17 HA ASN 17 2.623 -12.226 -8.668 128 1HB ASN 17 1HB ASN 17 0.918 -9.810 -9.263 129 2HB ASN 17 2HB ASN 17 0.723 -11.466 -9.770 130 1HD2 ASN 17 1HD2 ASN 17 -0.894 -11.926 -6.343 131 2HD2 ASN 17 2HD2 ASN 17 0.560 -12.654 -7.100 132 H ALA 18 H ALA 18 3.299 -8.731 -8.130 133 HA ALA 18 HA ALA 18 5.564 -7.852 -8.403 134 1HB ALA 18 1HB ALA 18 6.312 -10.261 -8.373 135 2HB ALA 18 2HB ALA 18 5.974 -10.383 -10.114 136 3HB ALA 18 3HB ALA 18 7.254 -9.298 -9.543 137 H ASP 19 H ASP 19 3.391 -6.899 -10.035 138 HA ASP 19 HA ASP 19 5.085 -5.739 -12.295 139 1HB ASP 19 1HB ASP 19 3.070 -5.005 -13.314 140 2HB ASP 19 2HB ASP 19 2.632 -6.562 -12.627 141 H GLY 20 H GLY 20 5.284 -5.227 -9.245 142 1HA GLY 20 1HA GLY 20 6.231 -3.382 -7.989 143 2HA GLY 20 2HA GLY 20 6.091 -2.399 -9.452 144 H TYR 21 H TYR 21 3.049 -3.624 -8.601 145 HA TYR 21 HA TYR 21 2.293 -1.105 -7.003 146 1HB TYR 21 1HB TYR 21 0.483 -2.851 -8.795 147 2HB TYR 21 2HB TYR 21 -0.029 -1.452 -7.898 148 HD1 TYR 21 HD1 TYR 21 2.989 -2.003 -10.133 149 HD2 TYR 21 HD2 TYR 21 -0.555 0.314 -9.376 150 HE1 TYR 21 HE1 TYR 21 3.542 -0.522 -12.022 151 HE2 TYR 21 HE2 TYR 21 0.023 1.782 -11.279 152 HH TYR 21 HH TYR 21 2.016 1.053 -13.646 153 H ILE 22 H ILE 22 0.599 -1.316 -5.361 154 HA ILE 22 HA ILE 22 -0.090 -4.156 -4.443 155 HB ILE 22 HB ILE 22 -0.455 -1.531 -2.900 156 1HG1 ILE 22 1HG1 ILE 22 1.817 -3.591 -2.809 157 2HG1 ILE 22 2HG1 ILE 22 1.920 -1.853 -2.874 158 1HG2 ILE 22 1HG2 ILE 22 -2.120 -3.302 -2.179 159 2HG2 ILE 22 2HG2 ILE 22 -0.801 -4.457 -1.903 160 3HG2 ILE 22 3HG2 ILE 22 -0.963 -2.997 -0.894 161 1HD1 ILE 22 1HD1 ILE 22 1.028 -1.656 -0.496 162 2HD1 ILE 22 2HD1 ILE 22 1.117 -3.431 -0.363 163 3HD1 ILE 22 3HD1 ILE 22 2.597 -2.488 -0.640 164 H ASP 23 H ASP 23 -2.274 -4.775 -4.114 165 HA ASP 23 HA ASP 23 -4.447 -2.915 -5.165 166 1HB ASP 23 1HB ASP 23 -5.824 -5.095 -5.219 167 2HB ASP 23 2HB ASP 23 -4.446 -5.024 -6.308 168 H ILE 24 H ILE 24 -6.642 -3.242 -4.061 169 HA ILE 24 HA ILE 24 -6.454 -2.131 -1.269 170 HB ILE 24 HB ILE 24 -8.283 -1.633 -3.141 171 1HG1 ILE 24 1HG1 ILE 24 -9.362 -1.849 -0.263 172 2HG1 ILE 24 2HG1 ILE 24 -8.110 -0.704 -0.659 173 1HG2 ILE 24 1HG2 ILE 24 -9.224 -3.983 -3.316 174 2HG2 ILE 24 2HG2 ILE 24 -9.680 -3.942 -1.601 175 3HG2 ILE 24 3HG2 ILE 24 -10.467 -2.865 -2.782 176 1HD1 ILE 24 1HD1 ILE 24 -9.580 0.366 -2.441 177 2HD1 ILE 24 2HD1 ILE 24 -10.925 -0.662 -1.888 178 3HD1 ILE 24 3HD1 ILE 24 -10.199 0.518 -0.776 179 H GLU 25 H GLU 25 -6.902 -5.263 -2.731 180 HA GLU 25 HA GLU 25 -7.974 -6.630 -0.285 181 1HB GLU 25 1HB GLU 25 -8.179 -7.182 -2.948 182 2HB GLU 25 2HB GLU 25 -6.887 -8.275 -2.553 183 1HG GLU 25 1HG GLU 25 -9.659 -8.285 -1.158 184 2HG GLU 25 2HG GLU 25 -9.198 -9.358 -2.467 185 H GLU 26 H GLU 26 -4.809 -6.208 -1.733 186 HA GLU 26 HA GLU 26 -3.337 -7.961 0.205 187 1HB GLU 26 1HB GLU 26 -2.388 -5.957 -1.878 188 2HB GLU 26 2HB GLU 26 -1.280 -6.691 -0.759 189 1HG GLU 26 1HG GLU 26 -1.890 -9.008 -1.682 190 2HG GLU 26 2HG GLU 26 -2.999 -8.260 -2.816 191 H LEU 27 H LEU 27 -4.351 -4.614 0.172 192 HA LEU 27 HA LEU 27 -2.511 -3.297 2.040 193 1HB LEU 27 1HB LEU 27 -4.237 -2.141 0.674 194 2HB LEU 27 2HB LEU 27 -5.522 -2.883 1.592 195 HG LEU 27 HG LEU 27 -5.469 -1.298 3.229 196 1HD1 LEU 27 1HD1 LEU 27 -3.472 -2.364 4.282 197 2HD1 LEU 27 2HD1 LEU 27 -2.371 -1.399 3.258 198 3HD1 LEU 27 3HD1 LEU 27 -3.433 -0.612 4.461 199 1HD2 LEU 27 1HD2 LEU 27 -3.428 0.155 1.385 200 2HD2 LEU 27 2HD2 LEU 27 -5.210 0.228 1.245 201 3HD2 LEU 27 3HD2 LEU 27 -4.414 0.903 2.672 202 H GLY 28 H GLY 28 -5.765 -4.425 3.064 203 1HA GLY 28 1HA GLY 28 -5.423 -3.970 5.920 204 2HA GLY 28 2HA GLY 28 -6.554 -5.139 5.227 205 H GLU 29 H GLU 29 -4.665 -6.912 4.038 206 HA GLU 29 HA GLU 29 -4.180 -8.577 6.486 207 1HB GLU 29 1HB GLU 29 -4.303 -10.431 5.192 208 2HB GLU 29 2HB GLU 29 -5.302 -9.340 4.281 209 1HG GLU 29 1HG GLU 29 -4.103 -10.086 2.445 210 2HG GLU 29 2HG GLU 29 -2.842 -8.977 2.954 211 H ILE 30 H ILE 30 -2.152 -6.906 4.176 212 HA ILE 30 HA ILE 30 0.521 -7.584 5.300 213 HB ILE 30 HB ILE 30 -0.576 -5.118 3.885 214 1HG1 ILE 30 1HG1 ILE 30 0.928 -5.639 2.066 215 2HG1 ILE 30 2HG1 ILE 30 1.908 -6.704 3.037 216 1HG2 ILE 30 1HG2 ILE 30 1.025 -4.218 5.613 217 2HG2 ILE 30 2HG2 ILE 30 2.290 -5.344 5.055 218 3HG2 ILE 30 3HG2 ILE 30 1.697 -4.033 3.996 219 1HD1 ILE 30 1HD1 ILE 30 -0.944 -7.477 2.125 220 2HD1 ILE 30 2HD1 ILE 30 0.598 -8.041 1.448 221 3HD1 ILE 30 3HD1 ILE 30 0.160 -8.468 3.113 222 H LEU 31 H LEU 31 -1.627 -4.819 6.048 223 HA LEU 31 HA LEU 31 -0.286 -3.822 8.354 224 1HB LEU 31 1HB LEU 31 -3.296 -3.705 8.477 225 2HB LEU 31 2HB LEU 31 -2.122 -2.451 8.793 226 HG LEU 31 HG LEU 31 -3.293 -3.325 6.122 227 1HD1 LEU 31 1HD1 LEU 31 -2.848 -0.586 7.491 228 2HD1 LEU 31 2HD1 LEU 31 -3.575 -0.830 5.880 229 3HD1 LEU 31 3HD1 LEU 31 -4.385 -1.478 7.309 230 1HD2 LEU 31 1HD2 LEU 31 -0.625 -1.770 6.438 231 2HD2 LEU 31 2HD2 LEU 31 -0.861 -3.330 5.601 232 3HD2 LEU 31 3HD2 LEU 31 -1.579 -1.860 4.934 233 H ARG 32 H ARG 32 -2.635 -6.468 8.344 234 HA ARG 32 HA ARG 32 -2.710 -6.847 11.263 235 1HB ARG 32 1HB ARG 32 -4.219 -7.509 9.075 236 2HB ARG 32 2HB ARG 32 -3.449 -9.074 9.329 237 1HG ARG 32 1HG ARG 32 -4.323 -9.041 11.744 238 2HG ARG 32 2HG ARG 32 -5.057 -7.459 11.425 239 1HD ARG 32 1HD ARG 32 -6.946 -8.576 10.718 240 2HD ARG 32 2HD ARG 32 -6.033 -9.024 9.260 241 HE ARG 32 HE ARG 32 -5.889 -11.277 10.110 242 1HH1 ARG 32 2HH1 ARG 32 -6.429 -9.188 12.833 243 2HH1 ARG 32 1HH1 ARG 32 -6.594 -10.601 13.979 244 1HH2 ARG 32 1HH2 ARG 32 -6.067 -12.842 11.433 245 2HH2 ARG 32 2HH2 ARG 32 -6.416 -12.561 13.200 246 H ALA 33 H ALA 33 -1.166 -8.901 8.761 247 HA ALA 33 HA ALA 33 1.145 -9.715 10.553 248 1HB ALA 33 1HB ALA 33 -0.815 -10.946 11.471 249 2HB ALA 33 2HB ALA 33 -1.174 -11.640 9.866 250 3HB ALA 33 3HB ALA 33 0.324 -12.074 10.718 251 H THR 34 H THR 34 1.386 -12.364 9.190 252 HA THR 34 HA THR 34 2.689 -11.452 6.621 253 HB THR 34 HB THR 34 4.963 -11.743 7.240 254 HG1 THR 34 HG1 THR 34 3.927 -12.939 9.575 255 1HG2 THR 34 2HG2 THR 34 3.877 -9.594 8.169 256 2HG2 THR 34 3HG2 THR 34 3.688 -10.418 9.738 257 3HG2 THR 34 1HG2 THR 34 5.310 -10.111 9.094 258 H GLY 35 H GLY 35 2.221 -14.117 9.005 259 1HA GLY 35 1HA GLY 35 1.944 -16.511 8.426 260 2HA GLY 35 2HA GLY 35 2.604 -16.185 6.819 261 1HN NH2 36 1HN NH2 36 3.306 -18.441 8.561 262 2HN NH2 36 2HN NH2 36 5.038 -18.298 8.964 263 1H ACE 37 1HH3 ACE 37 -12.166 -6.377 13.763 264 2H ACE 37 2HH3 ACE 37 -10.700 -7.387 13.523 265 3H ACE 37 3HH3 ACE 37 -10.620 -5.912 14.521 266 H VAL 38 H VAL 38 -11.820 -6.681 11.210 267 HA VAL 38 HA VAL 38 -10.547 -4.257 10.033 268 HB VAL 38 HB VAL 38 -9.149 -5.745 8.343 269 1HG1 VAL 38 1HG1 VAL 38 -8.111 -5.010 11.177 270 2HG1 VAL 38 2HG1 VAL 38 -7.059 -5.427 9.805 271 3HG1 VAL 38 3HG1 VAL 38 -8.070 -3.980 9.735 272 1HG2 VAL 38 1HG2 VAL 38 -9.677 -8.013 9.341 273 2HG2 VAL 38 2HG2 VAL 38 -7.940 -7.661 9.463 274 3HG2 VAL 38 3HG2 VAL 38 -8.986 -7.496 10.895 275 H THR 39 H THR 39 -12.319 -3.693 8.888 276 HA THR 39 HA THR 39 -14.199 -5.848 7.786 277 HB THR 39 HB THR 39 -14.660 -3.139 8.983 278 HG1 THR 39 HG1 THR 39 -16.712 -4.101 9.330 279 1HG2 THR 39 2HG2 THR 39 -16.315 -4.074 6.533 280 2HG2 THR 39 3HG2 THR 39 -16.747 -2.724 7.611 281 3HG2 THR 39 1HG2 THR 39 -15.286 -2.623 6.606 282 H GLU 40 H GLU 40 -15.256 -5.236 5.701 283 HA GLU 40 HA GLU 40 -13.387 -4.446 3.512 284 1HB GLU 40 1HB GLU 40 -16.411 -4.845 3.405 285 2HB GLU 40 2HB GLU 40 -15.384 -4.611 2.023 286 1HG GLU 40 1HG GLU 40 -14.814 -7.000 3.879 287 2HG GLU 40 2HG GLU 40 -16.165 -7.090 2.764 288 H GLU 41 H GLU 41 -16.387 -2.850 4.642 289 HA GLU 41 HA GLU 41 -16.028 -0.436 3.175 290 1HB GLU 41 1HB GLU 41 -18.066 -1.475 4.555 291 2HB GLU 41 2HB GLU 41 -17.588 -0.326 5.767 292 1HG GLU 41 1HG GLU 41 -18.038 1.598 4.236 293 2HG GLU 41 2HG GLU 41 -18.269 0.531 2.863 294 H ASP 42 H ASP 42 -14.544 -1.161 6.249 295 HA ASP 42 HA ASP 42 -13.582 1.588 6.754 296 1HB ASP 42 1HB ASP 42 -12.912 -1.150 7.995 297 2HB ASP 42 2HB ASP 42 -12.162 0.336 8.560 298 H ILE 43 H ILE 43 -11.980 -1.267 5.374 299 HA ILE 43 HA ILE 43 -9.402 0.084 4.654 300 HB ILE 43 HB ILE 43 -10.717 -2.507 3.742 301 1HG1 ILE 43 1HG1 ILE 43 -7.834 -2.261 4.761 302 2HG1 ILE 43 2HG1 ILE 43 -9.138 -2.170 5.914 303 1HG2 ILE 43 1HG2 ILE 43 -9.682 -1.572 1.637 304 2HG2 ILE 43 2HG2 ILE 43 -8.142 -1.310 2.478 305 3HG2 ILE 43 3HG2 ILE 43 -8.753 -2.958 2.189 306 1HD1 ILE 43 1HD1 ILE 43 -10.039 -4.422 5.193 307 2HD1 ILE 43 2HD1 ILE 43 -8.633 -4.616 4.113 308 3HD1 ILE 43 3HD1 ILE 43 -8.395 -4.480 5.868 309 H GLU 44 H GLU 44 -12.617 -0.086 3.270 310 HA GLU 44 HA GLU 44 -11.889 1.371 0.751 311 1HB GLU 44 1HB GLU 44 -14.328 0.079 1.845 312 2HB GLU 44 2HB GLU 44 -14.670 1.514 0.928 313 1HG GLU 44 1HG GLU 44 -12.789 -0.437 -0.453 314 2HG GLU 44 2HG GLU 44 -14.413 -1.039 -0.176 315 H ASP 45 H ASP 45 -12.990 2.300 3.922 316 HA ASP 45 HA ASP 45 -13.628 5.172 3.335 317 1HB ASP 45 1HB ASP 45 -13.227 3.480 5.846 318 2HB ASP 45 2HB ASP 45 -13.146 5.230 5.994 319 H LEU 46 H LEU 46 -10.739 3.468 4.567 320 HA LEU 46 HA LEU 46 -8.946 5.846 4.419 321 1HB LEU 46 1HB LEU 46 -8.642 3.879 5.934 322 2HB LEU 46 2HB LEU 46 -8.278 2.846 4.572 323 HG LEU 46 HG LEU 46 -6.233 4.441 4.084 324 1HD1 LEU 46 1HD1 LEU 46 -7.297 6.149 5.922 325 2HD1 LEU 46 2HD1 LEU 46 -6.295 5.156 7.019 326 3HD1 LEU 46 3HD1 LEU 46 -5.534 6.000 5.663 327 1HD2 LEU 46 1HD2 LEU 46 -6.384 2.068 5.592 328 2HD2 LEU 46 2HD2 LEU 46 -4.873 2.925 5.167 329 3HD2 LEU 46 3HD2 LEU 46 -5.624 3.211 6.738 330 H MET 47 H MET 47 -9.108 3.023 2.221 331 HA MET 47 HA MET 47 -7.397 4.331 0.186 332 1HB MET 47 1HB MET 47 -8.004 1.721 0.765 333 2HB MET 47 2HB MET 47 -9.106 1.961 -0.581 334 1HG MET 47 1HG MET 47 -6.336 2.971 -1.180 335 2HG MET 47 2HG MET 47 -6.439 1.227 -0.876 336 1HE MET 47 1HE MET 47 -5.782 3.117 -3.505 337 2HE MET 47 2HE MET 47 -5.487 1.354 -3.519 338 3HE MET 47 3HE MET 47 -6.446 2.099 -4.830 339 H LYS 48 H LYS 48 -10.639 5.014 0.857 340 HA LYS 48 HA LYS 48 -10.910 6.261 -1.908 341 1HB LYS 48 1HB LYS 48 -13.191 6.412 -1.527 342 2HB LYS 48 2HB LYS 48 -12.800 4.889 -0.790 343 1HG LYS 48 1HG LYS 48 -14.122 5.732 0.968 344 2HG LYS 48 2HG LYS 48 -12.636 6.477 1.466 345 1HD LYS 48 1HD LYS 48 -13.917 8.366 1.553 346 2HD LYS 48 2HD LYS 48 -13.351 8.576 -0.071 347 1HE LYS 48 1HE LYS 48 -15.709 7.129 -0.586 348 2HE LYS 48 2HE LYS 48 -16.134 7.844 0.959 349 1HZ LYS 48 1HZ LYS 48 -14.955 9.739 -1.051 350 2HZ LYS 48 2HZ LYS 48 -16.496 9.248 -1.263 351 3HZ LYS 48 3HZ LYS 48 -16.140 10.026 0.070 352 H ASP 49 H ASP 49 -10.282 7.078 1.425 353 HA ASP 49 HA ASP 49 -10.234 10.075 1.042 354 1HB ASP 49 1HB ASP 49 -10.576 8.920 3.310 355 2HB ASP 49 2HB ASP 49 -8.887 8.433 3.280 356 H SER 50 H SER 50 -7.883 7.432 0.881 357 HA SER 50 HA SER 50 -5.623 9.336 0.297 358 1HB SER 50 1HB SER 50 -5.338 7.587 2.037 359 2HB SER 50 2HB SER 50 -5.691 6.300 0.889 360 HG SER 50 HG SER 50 -3.782 6.567 -0.066 361 H ASP 51 H ASP 51 -7.281 6.680 -1.398 362 HA ASP 51 HA ASP 51 -5.646 6.407 -3.707 363 1HB ASP 51 1HB ASP 51 -7.519 4.892 -3.132 364 2HB ASP 51 2HB ASP 51 -8.711 6.139 -3.470 365 H LYS 52 H LYS 52 -4.765 8.056 -4.720 366 HA LYS 52 HA LYS 52 -6.100 10.572 -5.678 367 1HB LYS 52 1HB LYS 52 -3.487 9.148 -6.409 368 2HB LYS 52 2HB LYS 52 -3.934 10.656 -7.145 369 1HG LYS 52 1HG LYS 52 -2.883 10.067 -4.341 370 2HG LYS 52 2HG LYS 52 -2.488 11.375 -5.412 371 1HD LYS 52 1HD LYS 52 -4.971 12.252 -4.953 372 2HD LYS 52 2HD LYS 52 -4.930 11.268 -3.528 373 1HE LYS 52 1HE LYS 52 -3.504 12.786 -2.402 374 2HE LYS 52 2HE LYS 52 -2.442 12.955 -3.799 375 1HZ LYS 52 1HZ LYS 52 -5.160 14.192 -4.054 376 2HZ LYS 52 2HZ LYS 52 -4.180 14.967 -3.080 377 3HZ LYS 52 3HZ LYS 52 -3.758 14.759 -4.668 378 H ASN 53 H ASN 53 -4.735 7.890 -7.617 379 HA ASN 53 HA ASN 53 -5.862 9.001 -10.029 380 1HB ASN 53 1HB ASN 53 -4.911 6.858 -11.133 381 2HB ASN 53 2HB ASN 53 -3.786 7.801 -10.197 382 1HD2 ASN 53 1HD2 ASN 53 -3.175 5.141 -7.909 383 2HD2 ASN 53 2HD2 ASN 53 -2.939 6.910 -8.270 384 H ASN 54 H ASN 54 -7.487 6.941 -7.864 385 HA ASN 54 HA ASN 54 -9.702 6.031 -7.878 386 1HB ASN 54 1HB ASN 54 -9.914 8.215 -10.044 387 2HB ASN 54 2HB ASN 54 -11.262 7.152 -9.752 388 1HD2 ASN 54 1HD2 ASN 54 -11.667 8.613 -6.362 389 2HD2 ASN 54 2HD2 ASN 54 -11.539 6.950 -7.092 390 H ASP 55 H ASP 55 -7.518 4.874 -9.561 391 HA ASP 55 HA ASP 55 -9.217 3.027 -11.316 392 1HB ASP 55 1HB ASP 55 -6.166 2.833 -11.091 393 2HB ASP 55 2HB ASP 55 -7.210 2.279 -12.392 394 H GLY 56 H GLY 56 -7.894 3.296 -8.180 395 1HA GLY 56 1HA GLY 56 -8.689 1.878 -6.336 396 2HA GLY 56 2HA GLY 56 -8.996 0.578 -7.494 397 H ARG 57 H ARG 57 -5.829 2.022 -7.503 398 HA ARG 57 HA ARG 57 -4.551 -0.304 -6.014 399 1HB ARG 57 1HB ARG 57 -3.266 -0.981 -8.103 400 2HB ARG 57 2HB ARG 57 -4.986 -1.371 -8.104 401 1HG ARG 57 1HG ARG 57 -5.025 1.156 -9.330 402 2HG ARG 57 2HG ARG 57 -3.434 0.587 -9.832 403 1HD ARG 57 1HD ARG 57 -5.578 -1.513 -10.146 404 2HD ARG 57 2HD ARG 57 -5.908 -0.040 -11.054 405 HE ARG 57 HE ARG 57 -3.301 -0.190 -11.798 406 1HH1 ARG 57 2HH1 ARG 57 -5.574 -2.806 -11.723 407 2HH1 ARG 57 1HH1 ARG 57 -4.677 -3.687 -13.067 408 1HH2 ARG 57 1HH2 ARG 57 -2.339 -1.193 -13.225 409 2HH2 ARG 57 2HH2 ARG 57 -2.946 -2.779 -13.913 410 H ILE 58 H ILE 58 -2.383 -0.125 -5.562 411 HA ILE 58 HA ILE 58 -1.566 2.787 -5.269 412 HB ILE 58 HB ILE 58 -1.128 0.346 -3.483 413 1HG1 ILE 58 1HG1 ILE 58 -2.654 2.998 -3.025 414 2HG1 ILE 58 2HG1 ILE 58 -3.369 1.428 -3.259 415 1HG2 ILE 58 1HG2 ILE 58 0.992 1.729 -3.377 416 2HG2 ILE 58 2HG2 ILE 58 0.047 3.182 -2.995 417 3HG2 ILE 58 3HG2 ILE 58 0.118 1.821 -1.852 418 1HD1 ILE 58 1HD1 ILE 58 -2.346 0.553 -1.109 419 2HD1 ILE 58 2HD1 ILE 58 -1.717 2.187 -0.776 420 3HD1 ILE 58 3HD1 ILE 58 -3.470 1.916 -0.877 421 H ASP 59 H ASP 59 0.552 3.518 -5.552 422 HA ASP 59 HA ASP 59 2.750 1.463 -6.142 423 1HB ASP 59 1HB ASP 59 3.758 3.140 -7.711 424 2HB ASP 59 2HB ASP 59 2.148 2.637 -8.206 425 H PHE 60 H PHE 60 4.958 3.130 -6.096 426 HA PHE 60 HA PHE 60 5.586 2.363 -3.356 427 1HB PHE 60 1HB PHE 60 7.150 2.372 -5.411 428 2HB PHE 60 2HB PHE 60 7.343 4.081 -5.210 429 HD1 PHE 60 HD1 PHE 60 8.062 4.855 -2.685 430 HD2 PHE 60 HD2 PHE 60 8.880 1.005 -4.404 431 HE1 PHE 60 HE1 PHE 60 9.973 4.586 -1.169 432 HE2 PHE 60 HE2 PHE 60 10.804 0.743 -2.879 433 HZ PHE 60 HZ PHE 60 11.320 2.511 -1.219 434 H ASP 61 H ASP 61 5.129 5.601 -4.716 435 HA ASP 61 HA ASP 61 5.705 7.371 -2.488 436 1HB ASP 61 1HB ASP 61 3.200 7.729 -4.323 437 2HB ASP 61 2HB ASP 61 4.424 8.860 -3.793 438 H GLU 62 H GLU 62 2.451 6.326 -3.320 439 HA GLU 62 HA GLU 62 0.915 6.701 -0.945 440 1HB GLU 62 1HB GLU 62 0.809 4.549 -3.069 441 2HB GLU 62 2HB GLU 62 -0.225 4.407 -1.680 442 1HG GLU 62 1HG GLU 62 -1.274 5.514 -3.786 443 2HG GLU 62 2HG GLU 62 -1.524 6.388 -2.284 444 H PHE 63 H PHE 63 3.200 4.037 -1.475 445 HA PHE 63 HA PHE 63 2.553 2.399 0.936 446 1HB PHE 63 1HB PHE 63 3.868 1.635 -1.122 447 2HB PHE 63 2HB PHE 63 5.203 2.615 -0.616 448 HD1 PHE 63 HD1 PHE 63 5.858 2.155 2.120 449 HD2 PHE 63 HD2 PHE 63 4.060 -0.691 -0.561 450 HE1 PHE 63 HE1 PHE 63 6.867 0.295 3.391 451 HE2 PHE 63 HE2 PHE 63 4.992 -2.521 0.768 452 HZ PHE 63 HZ PHE 63 6.559 -2.037 2.623 453 H LEU 64 H LEU 64 5.130 4.820 0.358 454 HA LEU 64 HA LEU 64 6.197 4.977 3.023 455 1HB LEU 64 1HB LEU 64 6.023 7.122 0.848 456 2HB LEU 64 2HB LEU 64 6.889 7.397 2.343 457 HG LEU 64 HG LEU 64 7.617 4.956 0.655 458 1HD1 LEU 64 1HD1 LEU 64 8.479 7.868 0.051 459 2HD1 LEU 64 2HD1 LEU 64 9.265 6.413 -0.619 460 3HD1 LEU 64 3HD1 LEU 64 7.573 6.746 -1.001 461 1HD2 LEU 64 1HD2 LEU 64 9.269 6.840 2.495 462 2HD2 LEU 64 2HD2 LEU 64 8.801 5.149 2.835 463 3HD2 LEU 64 3HD2 LEU 64 9.949 5.501 1.537 464 H LYS 65 H LYS 65 3.399 6.742 1.759 465 HA LYS 65 HA LYS 65 3.039 8.405 4.232 466 1HB LYS 65 1HB LYS 65 1.581 8.001 1.564 467 2HB LYS 65 2HB LYS 65 1.008 9.170 2.737 468 1HG LYS 65 1HG LYS 65 3.895 9.600 2.117 469 2HG LYS 65 2HG LYS 65 2.945 9.475 0.625 470 1HD LYS 65 1HD LYS 65 1.620 11.325 1.064 471 2HD LYS 65 2HD LYS 65 1.671 11.151 2.821 472 1HE LYS 65 1HE LYS 65 3.644 12.506 2.973 473 2HE LYS 65 2HE LYS 65 4.252 11.962 1.399 474 1HZ LYS 65 1HZ LYS 65 1.973 13.211 0.577 475 2HZ LYS 65 2HZ LYS 65 2.200 14.106 1.893 476 3HZ LYS 65 3HZ LYS 65 3.355 14.064 0.716 477 H MET 66 H MET 66 0.975 5.844 2.691 478 HA MET 66 HA MET 66 -0.723 5.205 4.856 479 1HB MET 66 1HB MET 66 -1.054 4.124 2.737 480 2HB MET 66 2HB MET 66 0.566 3.461 2.704 481 1HG MET 66 1HG MET 66 -1.214 2.472 4.964 482 2HG MET 66 2HG MET 66 -1.556 1.890 3.323 483 1HE MET 66 1HE MET 66 -0.208 0.294 1.972 484 2HE MET 66 2HE MET 66 0.670 -0.948 2.913 485 3HE MET 66 3HE MET 66 -1.002 -0.499 3.368 486 H MET 67 H MET 67 2.714 4.352 4.724 487 HA MET 67 HA MET 67 2.655 2.897 7.347 488 1HB MET 67 1HB MET 67 4.827 3.781 5.391 489 2HB MET 67 2HB MET 67 5.298 3.458 7.048 490 1HG MET 67 1HG MET 67 3.784 1.162 6.525 491 2HG MET 67 2HG MET 67 4.499 1.485 4.934 492 1HE MET 67 1HE MET 67 4.996 -1.047 6.403 493 2HE MET 67 2HE MET 67 6.536 -1.231 7.304 494 3HE MET 67 3HE MET 67 5.109 -0.502 8.104 495 H GLU 68 H GLU 68 4.571 5.813 6.515 496 HA GLU 68 HA GLU 68 4.985 6.549 9.342 497 1HB GLU 68 1HB GLU 68 6.771 7.229 8.161 498 2HB GLU 68 2HB GLU 68 5.886 7.557 6.702 499 1HG GLU 68 1HG GLU 68 5.049 9.782 7.905 500 2HG GLU 68 2HG GLU 68 6.286 9.460 9.105 501 H GLY 69 H GLY 69 2.721 7.776 6.924 502 1HA GLY 69 1HA GLY 69 0.601 8.982 7.211 503 2HA GLY 69 2HA GLY 69 0.525 7.916 8.620 504 H VAL 70 H VAL 70 1.478 11.203 7.615 505 HA VAL 70 HA VAL 70 2.072 11.999 10.518 506 HB VAL 70 HB VAL 70 3.777 12.476 8.632 507 1HG1 VAL 70 1HG1 VAL 70 1.782 14.761 7.975 508 2HG1 VAL 70 2HG1 VAL 70 3.464 14.674 7.391 509 3HG1 VAL 70 3HG1 VAL 70 2.293 13.460 6.872 510 1HG2 VAL 70 1HG2 VAL 70 3.942 13.564 10.909 511 2HG2 VAL 70 2HG2 VAL 70 4.487 14.658 9.646 512 3HG2 VAL 70 3HG2 VAL 70 2.873 14.883 10.385 513 H GLN 71 H GLN 71 1.230 14.209 11.090 514 HA GLN 71 HA GLN 71 -0.931 15.341 9.342 515 1HB GLN 71 1HB GLN 71 -2.582 14.447 10.610 516 2HB GLN 71 2HB GLN 71 -1.537 14.155 11.998 517 1HG GLN 71 1HG GLN 71 -1.796 16.488 12.778 518 2HG GLN 71 2HG GLN 71 -2.557 17.006 11.284 519 1HE2 GLN 71 1HE2 GLN 71 -5.155 16.502 13.934 520 2HE2 GLN 71 2HE2 GLN 71 -3.552 17.418 13.837 521 1HN NH2 72 1HN NH2 72 -0.890 17.616 9.206 522 2HN NH2 72 2HN NH2 72 0.143 18.656 10.223 No H/Q in entry = 522 Start of MODEL 38 1 1H ACE 1 1HH3 ACE 1 22.645 9.353 0.666 2 2H ACE 1 2HH3 ACE 1 23.754 8.514 1.808 3 3H ACE 1 3HH3 ACE 1 23.872 8.225 0.049 4 H LYS 2 H LYS 2 21.472 7.902 2.712 5 HA LYS 2 HA LYS 2 20.451 5.335 1.663 6 1HB LYS 2 1HB LYS 2 18.710 5.532 3.470 7 2HB LYS 2 2HB LYS 2 20.360 5.557 4.052 8 1HG LYS 2 1HG LYS 2 20.120 7.803 4.877 9 2HG LYS 2 2HG LYS 2 19.131 8.296 3.527 10 1HD LYS 2 1HD LYS 2 17.941 8.262 5.807 11 2HD LYS 2 2HD LYS 2 17.085 7.402 4.525 12 1HE LYS 2 1HE LYS 2 17.640 5.239 5.342 13 2HE LYS 2 2HE LYS 2 19.049 5.783 6.271 14 1HZ LYS 2 1HZ LYS 2 17.411 6.992 7.839 15 2HZ LYS 2 2HZ LYS 2 16.131 6.301 7.035 16 3HZ LYS 2 3HZ LYS 2 17.238 5.436 7.837 17 H SER 3 H SER 3 19.384 5.251 -0.163 18 HA SER 3 HA SER 3 17.765 7.648 -1.121 19 1HB SER 3 1HB SER 3 19.946 6.981 -2.189 20 2HB SER 3 2HB SER 3 19.250 5.470 -2.723 21 HG SER 3 HG SER 3 17.860 6.523 -4.066 22 H GLU 4 H GLU 4 17.541 4.061 -1.717 23 HA GLU 4 HA GLU 4 14.641 4.063 -1.902 24 1HB GLU 4 1HB GLU 4 14.210 3.885 -4.317 25 2HB GLU 4 2HB GLU 4 14.611 5.459 -3.673 26 1HG GLU 4 1HG GLU 4 16.735 5.543 -4.893 27 2HG GLU 4 2HG GLU 4 16.737 3.810 -5.200 28 H GLU 5 H GLU 5 17.637 2.540 -2.851 29 HA GLU 5 HA GLU 5 16.745 0.145 -3.980 30 1HB GLU 5 1HB GLU 5 19.005 0.623 -4.182 31 2HB GLU 5 2HB GLU 5 19.274 0.816 -2.477 32 1HG GLU 5 1HG GLU 5 18.709 -1.902 -2.487 33 2HG GLU 5 2HG GLU 5 19.282 -1.744 -4.137 34 H GLU 6 H GLU 6 16.816 0.720 -0.521 35 HA GLU 6 HA GLU 6 16.304 -2.106 0.199 36 1HB GLU 6 1HB GLU 6 17.695 -1.086 1.701 37 2HB GLU 6 2HB GLU 6 16.847 0.431 1.707 38 1HG GLU 6 1HG GLU 6 15.143 -0.409 3.296 39 2HG GLU 6 2HG GLU 6 15.654 -2.074 3.089 40 H LEU 7 H LEU 7 14.272 0.772 0.832 41 HA LEU 7 HA LEU 7 11.625 -0.559 1.050 42 1HB LEU 7 1HB LEU 7 12.430 2.203 -0.010 43 2HB LEU 7 2HB LEU 7 10.768 1.682 0.113 44 HG LEU 7 HG LEU 7 11.743 1.213 2.731 45 1HD1 LEU 7 1HD1 LEU 7 13.849 2.430 2.210 46 2HD1 LEU 7 2HD1 LEU 7 12.938 3.864 1.671 47 3HD1 LEU 7 3HD1 LEU 7 12.884 3.346 3.376 48 1HD2 LEU 7 1HD2 LEU 7 10.245 3.702 1.621 49 2HD2 LEU 7 2HD2 LEU 7 9.506 2.206 2.255 50 3HD2 LEU 7 3HD2 LEU 7 10.389 3.276 3.347 51 H ALA 8 H ALA 8 13.765 -0.050 -1.706 52 HA ALA 8 HA ALA 8 11.926 -0.977 -3.766 53 1HB ALA 8 1HB ALA 8 15.012 -1.120 -3.577 54 2HB ALA 8 2HB ALA 8 14.066 -1.359 -5.060 55 3HB ALA 8 3HB ALA 8 14.040 0.212 -4.248 56 H ASN 9 H ASN 9 14.537 -3.037 -2.314 57 HA ASN 9 HA ASN 9 13.464 -5.601 -2.904 58 1HB ASN 9 1HB ASN 9 15.083 -4.627 -0.460 59 2HB ASN 9 2HB ASN 9 14.649 -6.304 -0.635 60 1HD2 ASN 9 1HD2 ASN 9 18.019 -5.513 -2.217 61 2HD2 ASN 9 2HD2 ASN 9 17.272 -5.032 -0.628 62 H ALA 10 H ALA 10 12.527 -3.610 -0.108 63 HA ALA 10 HA ALA 10 10.649 -5.527 1.158 64 1HB ALA 10 1HB ALA 10 11.778 -3.636 2.345 65 2HB ALA 10 2HB ALA 10 10.852 -2.445 1.394 66 3HB ALA 10 3HB ALA 10 10.015 -3.533 2.523 67 H PHE 11 H PHE 11 10.068 -2.801 -1.101 68 HA PHE 11 HA PHE 11 7.196 -3.177 -1.422 69 1HB PHE 11 1HB PHE 11 8.450 -1.108 -2.018 70 2HB PHE 11 2HB PHE 11 9.260 -1.926 -3.312 71 HD1 PHE 11 HD1 PHE 11 5.621 -2.527 -2.767 72 HD2 PHE 11 HD2 PHE 11 8.516 -0.285 -5.027 73 HE1 PHE 11 HE1 PHE 11 3.876 -1.875 -4.374 74 HE2 PHE 11 HE2 PHE 11 6.747 0.383 -6.605 75 HZ PHE 11 HZ PHE 11 4.433 -0.440 -6.297 76 H ARG 12 H ARG 12 9.830 -4.501 -3.498 77 HA ARG 12 HA ARG 12 8.226 -6.417 -4.963 78 1HB ARG 12 1HB ARG 12 11.130 -6.574 -3.981 79 2HB ARG 12 2HB ARG 12 10.413 -7.840 -4.972 80 1HG ARG 12 1HG ARG 12 11.213 -5.001 -5.710 81 2HG ARG 12 2HG ARG 12 11.425 -6.491 -6.639 82 1HD ARG 12 1HD ARG 12 9.271 -6.396 -7.606 83 2HD ARG 12 2HD ARG 12 8.557 -5.539 -6.211 84 HE ARG 12 HE ARG 12 9.630 -3.406 -6.990 85 1HH1 ARG 12 2HH1 ARG 12 10.033 -6.013 -9.238 86 2HH1 ARG 12 1HH1 ARG 12 10.493 -4.878 -10.597 87 1HH2 ARG 12 1HH2 ARG 12 10.145 -2.156 -8.519 88 2HH2 ARG 12 2HH2 ARG 12 10.541 -2.780 -10.187 89 H ILE 13 H ILE 13 9.540 -6.700 -1.664 90 HA ILE 13 HA ILE 13 9.066 -9.639 -1.495 91 HB ILE 13 HB ILE 13 10.144 -7.596 0.506 92 1HG1 ILE 13 1HG1 ILE 13 11.558 -8.724 -1.545 93 2HG1 ILE 13 2HG1 ILE 13 12.278 -8.270 -0.024 94 1HG2 ILE 13 1HG2 ILE 13 8.941 -9.345 1.875 95 2HG2 ILE 13 2HG2 ILE 13 9.814 -10.644 1.029 96 3HG2 ILE 13 3HG2 ILE 13 10.673 -9.513 2.093 97 1HD1 ILE 13 1HD1 ILE 13 12.099 -10.613 0.876 98 2HD1 ILE 13 2HD1 ILE 13 11.422 -11.153 -0.680 99 3HD1 ILE 13 3HD1 ILE 13 13.075 -10.513 -0.607 100 H PHE 14 H PHE 14 7.395 -6.774 -0.373 101 HA PHE 14 HA PHE 14 5.248 -7.993 1.310 102 1HB PHE 14 1HB PHE 14 5.451 -5.440 -0.400 103 2HB PHE 14 2HB PHE 14 3.933 -5.919 0.283 104 HD1 PHE 14 HD1 PHE 14 5.977 -7.087 2.782 105 HD2 PHE 14 HD2 PHE 14 4.818 -3.324 1.066 106 HE1 PHE 14 HE1 PHE 14 6.522 -5.949 4.898 107 HE2 PHE 14 HE2 PHE 14 5.386 -2.189 3.176 108 HZ PHE 14 HZ PHE 14 6.259 -3.489 5.088 109 H ASP 15 H ASP 15 5.687 -7.454 -2.181 110 HA ASP 15 HA ASP 15 2.973 -8.260 -2.928 111 1HB ASP 15 1HB ASP 15 4.366 -6.566 -4.132 112 2HB ASP 15 2HB ASP 15 5.485 -7.812 -4.665 113 H LYS 16 H LYS 16 2.095 -10.035 -3.762 114 HA LYS 16 HA LYS 16 3.446 -12.717 -3.663 115 1HB LYS 16 1HB LYS 16 1.401 -13.700 -4.021 116 2HB LYS 16 2HB LYS 16 0.858 -12.204 -3.313 117 1HG LYS 16 1HG LYS 16 1.058 -12.347 -6.371 118 2HG LYS 16 2HG LYS 16 -0.163 -13.351 -5.599 119 1HD LYS 16 1HD LYS 16 -0.430 -10.755 -4.364 120 2HD LYS 16 2HD LYS 16 -0.145 -10.449 -6.076 121 1HE LYS 16 1HE LYS 16 -2.296 -10.813 -6.580 122 2HE LYS 16 2HE LYS 16 -2.139 -12.517 -6.107 123 1HZ LYS 16 1HZ LYS 16 -2.377 -10.533 -3.844 124 2HZ LYS 16 2HZ LYS 16 -3.750 -10.862 -4.703 125 3HZ LYS 16 3HZ LYS 16 -2.950 -12.069 -3.959 126 H ASN 17 H ASN 17 2.005 -10.740 -6.290 127 HA ASN 17 HA ASN 17 3.028 -12.678 -8.281 128 1HB ASN 17 1HB ASN 17 0.709 -11.946 -8.358 129 2HB ASN 17 2HB ASN 17 1.147 -10.266 -8.519 130 1HD2 ASN 17 1HD2 ASN 17 0.165 -10.993 -11.866 131 2HD2 ASN 17 2HD2 ASN 17 -0.595 -10.771 -10.256 132 H ALA 18 H ALA 18 3.697 -9.254 -7.676 133 HA ALA 18 HA ALA 18 5.614 -7.909 -8.231 134 1HB ALA 18 1HB ALA 18 6.759 -10.074 -7.626 135 2HB ALA 18 2HB ALA 18 6.637 -10.606 -9.318 136 3HB ALA 18 3HB ALA 18 7.641 -9.204 -8.911 137 H ASP 19 H ASP 19 3.427 -8.124 -10.236 138 HA ASP 19 HA ASP 19 4.781 -7.104 -12.744 139 1HB ASP 19 1HB ASP 19 2.438 -8.183 -12.678 140 2HB ASP 19 2HB ASP 19 1.844 -6.740 -11.869 141 H GLY 20 H GLY 20 4.937 -6.001 -9.712 142 1HA GLY 20 1HA GLY 20 6.230 -3.980 -9.200 143 2HA GLY 20 2HA GLY 20 5.650 -3.250 -10.702 144 H TYR 21 H TYR 21 2.840 -4.171 -9.451 145 HA TYR 21 HA TYR 21 2.380 -1.547 -7.916 146 1HB TYR 21 1HB TYR 21 0.318 -3.200 -9.509 147 2HB TYR 21 2HB TYR 21 0.015 -1.690 -8.703 148 HD1 TYR 21 HD1 TYR 21 2.703 -0.261 -9.642 149 HD2 TYR 21 HD2 TYR 21 -0.263 -2.566 -11.737 150 HE1 TYR 21 HE1 TYR 21 3.158 1.002 -11.720 151 HE2 TYR 21 HE2 TYR 21 0.224 -1.305 -13.797 152 HH TYR 21 HH TYR 21 1.087 0.880 -14.424 153 H ILE 22 H ILE 22 1.210 -1.513 -6.008 154 HA ILE 22 HA ILE 22 0.099 -4.122 -4.866 155 HB ILE 22 HB ILE 22 0.380 -1.433 -3.422 156 1HG1 ILE 22 1HG1 ILE 22 2.373 -3.751 -3.630 157 2HG1 ILE 22 2HG1 ILE 22 2.669 -2.038 -3.747 158 1HG2 ILE 22 1HG2 ILE 22 -1.346 -2.962 -2.369 159 2HG2 ILE 22 2HG2 ILE 22 -0.150 -4.268 -2.260 160 3HG2 ILE 22 3HG2 ILE 22 0.035 -2.777 -1.301 161 1HD1 ILE 22 1HD1 ILE 22 2.202 -1.732 -1.262 162 2HD1 ILE 22 2HD1 ILE 22 2.101 -3.504 -1.108 163 3HD1 ILE 22 3HD1 ILE 22 3.617 -2.746 -1.637 164 H ASP 23 H ASP 23 -2.020 -4.452 -4.465 165 HA ASP 23 HA ASP 23 -4.015 -2.464 -5.673 166 1HB ASP 23 1HB ASP 23 -5.449 -4.384 -6.305 167 2HB ASP 23 2HB ASP 23 -3.849 -4.546 -7.018 168 H ILE 24 H ILE 24 -6.314 -2.919 -4.737 169 HA ILE 24 HA ILE 24 -6.165 -1.991 -1.873 170 HB ILE 24 HB ILE 24 -7.859 -1.241 -3.808 171 1HG1 ILE 24 1HG1 ILE 24 -8.561 -1.402 -0.807 172 2HG1 ILE 24 2HG1 ILE 24 -7.815 -0.071 -1.649 173 1HG2 ILE 24 1HG2 ILE 24 -9.010 -3.485 -4.099 174 2HG2 ILE 24 2HG2 ILE 24 -9.516 -3.460 -2.398 175 3HG2 ILE 24 3HG2 ILE 24 -10.160 -2.273 -3.561 176 1HD1 ILE 24 1HD1 ILE 24 -9.927 0.312 -3.019 177 2HD1 ILE 24 2HD1 ILE 24 -10.750 -0.903 -2.011 178 3HD1 ILE 24 3HD1 ILE 24 -10.118 0.580 -1.266 179 H GLU 25 H GLU 25 -6.677 -4.996 -3.535 180 HA GLU 25 HA GLU 25 -7.796 -6.543 -1.224 181 1HB GLU 25 1HB GLU 25 -6.324 -7.911 -3.470 182 2HB GLU 25 2HB GLU 25 -7.673 -8.471 -2.530 183 1HG GLU 25 1HG GLU 25 -9.225 -6.876 -3.795 184 2HG GLU 25 2HG GLU 25 -7.864 -6.288 -4.732 185 H GLU 26 H GLU 26 -4.574 -5.774 -2.409 186 HA GLU 26 HA GLU 26 -3.115 -7.619 -0.543 187 1HB GLU 26 1HB GLU 26 -1.802 -5.311 -2.011 188 2HB GLU 26 2HB GLU 26 -1.069 -6.772 -1.423 189 1HG GLU 26 1HG GLU 26 -2.952 -7.768 -3.325 190 2HG GLU 26 2HG GLU 26 -2.429 -6.259 -4.052 191 H LEU 27 H LEU 27 -3.997 -4.201 -0.498 192 HA LEU 27 HA LEU 27 -2.265 -3.135 1.598 193 1HB LEU 27 1HB LEU 27 -3.682 -1.767 0.094 194 2HB LEU 27 2HB LEU 27 -5.141 -2.380 0.829 195 HG LEU 27 HG LEU 27 -3.995 0.022 1.499 196 1HD1 LEU 27 1HD1 LEU 27 -6.293 -0.753 2.095 197 2HD1 LEU 27 2HD1 LEU 27 -5.649 -1.752 3.428 198 3HD1 LEU 27 3HD1 LEU 27 -5.504 0.029 3.463 199 1HD2 LEU 27 1HD2 LEU 27 -3.017 -1.919 3.724 200 2HD2 LEU 27 2HD2 LEU 27 -1.975 -0.982 2.612 201 3HD2 LEU 27 3HD2 LEU 27 -2.989 -0.135 3.785 202 H GLY 28 H GLY 28 -5.701 -3.859 2.218 203 1HA GLY 28 1HA GLY 28 -5.992 -4.456 4.955 204 2HA GLY 28 2HA GLY 28 -6.648 -5.532 3.715 205 H GLU 29 H GLU 29 -4.544 -6.814 2.670 206 HA GLU 29 HA GLU 29 -4.054 -8.836 4.760 207 1HB GLU 29 1HB GLU 29 -3.105 -8.780 1.860 208 2HB GLU 29 2HB GLU 29 -2.921 -10.144 2.919 209 1HG GLU 29 1HG GLU 29 -5.512 -10.273 3.113 210 2HG GLU 29 2HG GLU 29 -5.624 -8.983 1.930 211 H ILE 30 H ILE 30 -2.000 -6.361 3.421 212 HA ILE 30 HA ILE 30 0.582 -7.178 4.717 213 HB ILE 30 HB ILE 30 -0.407 -4.457 3.718 214 1HG1 ILE 30 1HG1 ILE 30 0.128 -5.768 1.765 215 2HG1 ILE 30 2HG1 ILE 30 1.488 -4.707 2.013 216 1HG2 ILE 30 1HG2 ILE 30 1.208 -4.068 5.614 217 2HG2 ILE 30 2HG2 ILE 30 2.411 -5.126 4.833 218 3HG2 ILE 30 3HG2 ILE 30 1.928 -3.578 4.084 219 1HD1 ILE 30 1HD1 ILE 30 1.571 -7.694 2.810 220 2HD1 ILE 30 2HD1 ILE 30 2.308 -6.934 1.383 221 3HD1 ILE 30 3HD1 ILE 30 2.886 -6.506 3.006 222 H LEU 31 H LEU 31 -2.005 -4.862 5.598 223 HA LEU 31 HA LEU 31 -0.927 -4.047 8.247 224 1HB LEU 31 1HB LEU 31 -3.909 -4.085 7.809 225 2HB LEU 31 2HB LEU 31 -2.916 -2.880 8.591 226 HG LEU 31 HG LEU 31 -2.270 -2.984 5.709 227 1HD1 LEU 31 1HD1 LEU 31 -5.237 -2.526 6.457 228 2HD1 LEU 31 2HD1 LEU 31 -4.492 -2.113 4.889 229 3HD1 LEU 31 3HD1 LEU 31 -4.562 -3.801 5.405 230 1HD2 LEU 31 1HD2 LEU 31 -3.448 -0.767 7.534 231 2HD2 LEU 31 2HD2 LEU 31 -1.734 -0.981 7.081 232 3HD2 LEU 31 3HD2 LEU 31 -2.915 -0.523 5.850 233 H ARG 32 H ARG 32 -2.822 -6.797 7.193 234 HA ARG 32 HA ARG 32 -3.572 -7.573 10.022 235 1HB ARG 32 1HB ARG 32 -5.279 -7.289 8.315 236 2HB ARG 32 2HB ARG 32 -4.467 -8.370 7.184 237 1HG ARG 32 1HG ARG 32 -5.805 -10.055 8.007 238 2HG ARG 32 2HG ARG 32 -4.889 -9.964 9.522 239 1HD ARG 32 1HD ARG 32 -7.425 -9.700 9.842 240 2HD ARG 32 2HD ARG 32 -6.470 -8.363 10.522 241 HE ARG 32 HE ARG 32 -7.437 -6.878 8.877 242 1HH1 ARG 32 2HH1 ARG 32 -7.892 -10.130 7.743 243 2HH1 ARG 32 1HH1 ARG 32 -8.926 -9.577 6.343 244 1HH2 ARG 32 1HH2 ARG 32 -8.587 -6.291 7.275 245 2HH2 ARG 32 2HH2 ARG 32 -9.283 -7.504 6.105 246 H ALA 33 H ALA 33 -1.783 -9.021 7.278 247 HA ALA 33 HA ALA 33 -0.684 -11.181 9.119 248 1HB ALA 33 1HB ALA 33 -1.855 -11.863 7.031 249 2HB ALA 33 2HB ALA 33 -0.705 -10.924 6.039 250 3HB ALA 33 3HB ALA 33 -0.149 -12.337 6.963 251 H THR 34 H THR 34 1.439 -11.324 9.739 252 HA THR 34 HA THR 34 3.606 -10.698 7.726 253 HB THR 34 HB THR 34 3.348 -8.536 8.921 254 HG1 THR 34 HG1 THR 34 5.634 -9.541 10.144 255 1HG2 THR 34 2HG2 THR 34 2.497 -9.524 11.148 256 2HG2 THR 34 3HG2 THR 34 4.160 -10.064 11.495 257 3HG2 THR 34 1HG2 THR 34 3.804 -8.333 11.365 258 H GLY 35 H GLY 35 3.290 -13.181 8.024 259 1HA GLY 35 1HA GLY 35 4.931 -14.900 9.224 260 2HA GLY 35 2HA GLY 35 4.229 -14.294 10.730 261 1HN NH2 36 1HN NH2 36 4.106 -16.856 8.527 262 2HN NH2 36 2HN NH2 36 2.475 -17.478 8.895 263 1H ACE 37 1HH3 ACE 37 -18.407 -4.439 13.066 264 2H ACE 37 2HH3 ACE 37 -18.528 -4.137 11.299 265 3H ACE 37 3HH3 ACE 37 -19.277 -5.588 12.015 266 H VAL 38 H VAL 38 -15.994 -4.096 12.182 267 HA VAL 38 HA VAL 38 -13.879 -4.877 11.274 268 HB VAL 38 HB VAL 38 -14.950 -7.420 12.618 269 1HG1 VAL 38 1HG1 VAL 38 -12.038 -6.688 11.822 270 2HG1 VAL 38 2HG1 VAL 38 -12.471 -8.040 12.893 271 3HG1 VAL 38 3HG1 VAL 38 -12.993 -8.049 11.206 272 1HG2 VAL 38 1HG2 VAL 38 -14.789 -5.471 14.228 273 2HG2 VAL 38 2HG2 VAL 38 -13.554 -6.694 14.596 274 3HG2 VAL 38 3HG2 VAL 38 -13.101 -5.200 13.739 275 H THR 39 H THR 39 -14.223 -4.665 9.011 276 HA THR 39 HA THR 39 -15.144 -7.040 7.423 277 HB THR 39 HB THR 39 -17.011 -5.944 6.243 278 HG1 THR 39 HG1 THR 39 -16.165 -3.734 7.068 279 1HG2 THR 39 2HG2 THR 39 -17.368 -5.886 9.322 280 2HG2 THR 39 3HG2 THR 39 -18.691 -5.952 8.133 281 3HG2 THR 39 1HG2 THR 39 -17.557 -7.312 8.277 282 H GLU 40 H GLU 40 -15.221 -6.291 4.985 283 HA GLU 40 HA GLU 40 -12.651 -4.960 4.318 284 1HB GLU 40 1HB GLU 40 -12.685 -6.196 2.499 285 2HB GLU 40 2HB GLU 40 -14.082 -6.986 3.164 286 1HG GLU 40 1HG GLU 40 -15.494 -5.139 1.795 287 2HG GLU 40 2HG GLU 40 -13.999 -4.878 0.916 288 H GLU 41 H GLU 41 -16.019 -3.936 4.010 289 HA GLU 41 HA GLU 41 -15.591 -1.543 2.483 290 1HB GLU 41 1HB GLU 41 -17.803 -2.665 4.103 291 2HB GLU 41 2HB GLU 41 -17.855 -0.931 4.009 292 1HG GLU 41 1HG GLU 41 -18.612 -0.953 1.808 293 2HG GLU 41 2HG GLU 41 -17.443 -2.156 1.294 294 H ASP 42 H ASP 42 -15.180 -1.939 5.934 295 HA ASP 42 HA ASP 42 -14.538 0.895 6.630 296 1HB ASP 42 1HB ASP 42 -13.967 -1.830 7.927 297 2HB ASP 42 2HB ASP 42 -13.245 -0.362 8.571 298 H ILE 43 H ILE 43 -12.682 -1.811 5.301 299 HA ILE 43 HA ILE 43 -9.995 -0.454 5.330 300 HB ILE 43 HB ILE 43 -11.046 -2.985 4.004 301 1HG1 ILE 43 1HG1 ILE 43 -9.179 -4.123 5.236 302 2HG1 ILE 43 2HG1 ILE 43 -8.597 -2.597 5.844 303 1HG2 ILE 43 1HG2 ILE 43 -9.573 -1.938 2.240 304 2HG2 ILE 43 2HG2 ILE 43 -8.261 -1.733 3.418 305 3HG2 ILE 43 3HG2 ILE 43 -8.781 -3.359 2.907 306 1HD1 ILE 43 1HD1 ILE 43 -10.723 -2.222 7.165 307 2HD1 ILE 43 2HD1 ILE 43 -11.284 -3.846 6.685 308 3HD1 ILE 43 3HD1 ILE 43 -9.807 -3.664 7.657 309 H GLU 44 H GLU 44 -12.766 -0.608 3.167 310 HA GLU 44 HA GLU 44 -11.440 0.622 0.779 311 1HB GLU 44 1HB GLU 44 -14.113 -0.457 1.421 312 2HB GLU 44 2HB GLU 44 -14.211 0.984 0.456 313 1HG GLU 44 1HG GLU 44 -12.216 -1.011 -0.627 314 2HG GLU 44 2HG GLU 44 -13.852 -1.637 -0.540 315 H ASP 45 H ASP 45 -13.133 1.832 3.591 316 HA ASP 45 HA ASP 45 -13.379 4.679 2.664 317 1HB ASP 45 1HB ASP 45 -13.918 3.176 5.272 318 2HB ASP 45 2HB ASP 45 -13.818 4.931 5.309 319 H LEU 46 H LEU 46 -11.177 2.952 4.875 320 HA LEU 46 HA LEU 46 -9.335 5.203 5.489 321 1HB LEU 46 1HB LEU 46 -9.498 3.070 6.774 322 2HB LEU 46 2HB LEU 46 -8.827 2.168 5.435 323 HG LEU 46 HG LEU 46 -6.627 3.413 5.665 324 1HD1 LEU 46 1HD1 LEU 46 -8.224 4.967 7.704 325 2HD1 LEU 46 2HD1 LEU 46 -6.513 4.634 8.105 326 3HD1 LEU 46 3HD1 LEU 46 -6.945 5.496 6.601 327 1HD2 LEU 46 1HD2 LEU 46 -7.278 1.227 7.030 328 2HD2 LEU 46 2HD2 LEU 46 -5.808 2.121 7.517 329 3HD2 LEU 46 3HD2 LEU 46 -7.334 2.296 8.434 330 H MET 47 H MET 47 -8.981 2.672 2.990 331 HA MET 47 HA MET 47 -6.636 3.763 1.716 332 1HB MET 47 1HB MET 47 -7.700 1.439 1.390 333 2HB MET 47 2HB MET 47 -8.825 2.177 0.263 334 1HG MET 47 1HG MET 47 -5.853 2.635 -0.273 335 2HG MET 47 2HG MET 47 -6.562 1.052 -0.639 336 1HE MET 47 1HE MET 47 -5.259 2.486 -2.844 337 2HE MET 47 2HE MET 47 -6.283 1.056 -3.162 338 3HE MET 47 3HE MET 47 -6.472 2.520 -4.171 339 H LYS 48 H LYS 48 -10.042 4.527 1.097 340 HA LYS 48 HA LYS 48 -9.634 6.404 -1.210 341 1HB LYS 48 1HB LYS 48 -11.860 6.410 -1.312 342 2HB LYS 48 2HB LYS 48 -11.821 5.061 -0.218 343 1HG LYS 48 1HG LYS 48 -12.037 6.953 1.717 344 2HG LYS 48 2HG LYS 48 -12.400 8.036 0.411 345 1HD LYS 48 1HD LYS 48 -14.050 5.527 0.344 346 2HD LYS 48 2HD LYS 48 -14.363 6.495 1.746 347 1HE LYS 48 1HE LYS 48 -14.494 8.474 -0.276 348 2HE LYS 48 2HE LYS 48 -14.950 7.049 -1.192 349 1HZ LYS 48 1HZ LYS 48 -16.365 7.143 1.404 350 2HZ LYS 48 2HZ LYS 48 -16.785 8.370 0.375 351 3HZ LYS 48 3HZ LYS 48 -16.926 6.797 -0.037 352 H ASP 49 H ASP 49 -9.436 6.596 2.263 353 HA ASP 49 HA ASP 49 -9.449 9.593 2.543 354 1HB ASP 49 1HB ASP 49 -9.928 7.941 4.450 355 2HB ASP 49 2HB ASP 49 -8.217 7.540 4.488 356 H SER 50 H SER 50 -6.633 7.488 3.176 357 HA SER 50 HA SER 50 -4.613 9.411 2.728 358 1HB SER 50 1HB SER 50 -4.573 6.355 2.480 359 2HB SER 50 2HB SER 50 -3.110 7.265 2.115 360 HG SER 50 HG SER 50 -3.319 6.584 4.318 361 H ASP 51 H ASP 51 -6.104 7.391 0.232 362 HA ASP 51 HA ASP 51 -4.219 8.003 -1.911 363 1HB ASP 51 1HB ASP 51 -5.693 5.943 -1.716 364 2HB ASP 51 2HB ASP 51 -7.098 6.910 -2.144 365 H LYS 52 H LYS 52 -4.142 9.424 -3.528 366 HA LYS 52 HA LYS 52 -5.966 11.772 -3.954 367 1HB LYS 52 1HB LYS 52 -3.457 10.852 -4.894 368 2HB LYS 52 2HB LYS 52 -4.440 10.756 -6.323 369 1HG LYS 52 1HG LYS 52 -4.177 13.057 -6.628 370 2HG LYS 52 2HG LYS 52 -5.022 13.349 -5.141 371 1HD LYS 52 1HD LYS 52 -3.116 13.569 -3.800 372 2HD LYS 52 2HD LYS 52 -2.073 12.608 -4.795 373 1HE LYS 52 1HE LYS 52 -1.192 14.670 -5.490 374 2HE LYS 52 2HE LYS 52 -2.600 14.760 -6.546 375 1HZ LYS 52 1HZ LYS 52 -3.779 15.761 -4.309 376 2HZ LYS 52 2HZ LYS 52 -2.229 16.225 -3.957 377 3HZ LYS 52 3HZ LYS 52 -2.993 16.692 -5.321 378 H ASN 53 H ASN 53 -6.602 11.488 -6.654 379 HA ASN 53 HA ASN 53 -9.193 10.193 -6.388 380 1HB ASN 53 1HB ASN 53 -9.423 10.934 -8.906 381 2HB ASN 53 2HB ASN 53 -9.181 12.169 -7.702 382 1HD2 ASN 53 1HD2 ASN 53 -6.468 11.789 -10.649 383 2HD2 ASN 53 2HD2 ASN 53 -7.905 10.679 -10.520 384 H ASN 54 H ASN 54 -6.696 9.409 -8.827 385 HA ASN 54 HA ASN 54 -5.880 7.299 -9.658 386 1HB ASN 54 1HB ASN 54 -6.742 6.769 -6.739 387 2HB ASN 54 2HB ASN 54 -5.954 5.531 -7.677 388 1HD2 ASN 54 1HD2 ASN 54 -2.875 6.848 -6.578 389 2HD2 ASN 54 2HD2 ASN 54 -3.993 5.417 -6.717 390 H ASP 55 H ASP 55 -7.052 6.631 -11.342 391 HA ASP 55 HA ASP 55 -9.470 5.263 -11.765 392 1HB ASP 55 1HB ASP 55 -7.977 3.726 -13.358 393 2HB ASP 55 2HB ASP 55 -8.145 5.445 -13.682 394 H GLY 56 H GLY 56 -6.795 3.998 -9.865 395 1HA GLY 56 1HA GLY 56 -8.473 2.470 -8.125 396 2HA GLY 56 2HA GLY 56 -7.894 1.267 -9.285 397 H ARG 57 H ARG 57 -5.345 1.514 -9.629 398 HA ARG 57 HA ARG 57 -4.615 0.252 -7.007 399 1HB ARG 57 1HB ARG 57 -3.545 0.005 -9.873 400 2HB ARG 57 2HB ARG 57 -2.776 -0.827 -8.522 401 1HG ARG 57 1HG ARG 57 -4.809 -2.149 -8.063 402 2HG ARG 57 2HG ARG 57 -5.802 -1.129 -9.101 403 1HD ARG 57 1HD ARG 57 -3.428 -2.802 -10.193 404 2HD ARG 57 2HD ARG 57 -5.067 -3.438 -10.056 405 HE ARG 57 HE ARG 57 -4.253 -1.303 -12.024 406 1HH1 ARG 57 2HH1 ARG 57 -6.995 -2.633 -10.374 407 2HH1 ARG 57 1HH1 ARG 57 -8.147 -1.954 -11.640 408 1HH2 ARG 57 1HH2 ARG 57 -5.537 -0.482 -13.300 409 2HH2 ARG 57 2HH2 ARG 57 -7.350 -0.716 -13.183 410 H ILE 58 H ILE 58 -2.384 0.099 -6.271 411 HA ILE 58 HA ILE 58 -1.154 2.867 -6.041 412 HB ILE 58 HB ILE 58 -1.290 0.489 -4.139 413 1HG1 ILE 58 1HG1 ILE 58 -2.244 3.418 -3.958 414 2HG1 ILE 58 2HG1 ILE 58 -3.236 1.990 -4.022 415 1HG2 ILE 58 1HG2 ILE 58 1.084 1.350 -3.952 416 2HG2 ILE 58 2HG2 ILE 58 0.482 2.998 -3.680 417 3HG2 ILE 58 3HG2 ILE 58 0.177 1.713 -2.488 418 1HD1 ILE 58 1HD1 ILE 58 -2.407 1.215 -1.752 419 2HD1 ILE 58 2HD1 ILE 58 -1.488 2.736 -1.599 420 3HD1 ILE 58 3HD1 ILE 58 -3.261 2.778 -1.718 421 H ASP 59 H ASP 59 0.854 3.326 -6.672 422 HA ASP 59 HA ASP 59 2.924 1.092 -7.013 423 1HB ASP 59 1HB ASP 59 3.769 2.295 -9.000 424 2HB ASP 59 2HB ASP 59 2.048 1.977 -9.172 425 H PHE 60 H PHE 60 5.234 2.519 -7.433 426 HA PHE 60 HA PHE 60 6.044 2.131 -4.675 427 1HB PHE 60 1HB PHE 60 7.421 1.908 -6.902 428 2HB PHE 60 2HB PHE 60 7.760 3.600 -6.758 429 HD1 PHE 60 HD1 PHE 60 7.622 2.069 -3.448 430 HD2 PHE 60 HD2 PHE 60 10.182 2.754 -6.829 431 HE1 PHE 60 HE1 PHE 60 9.604 1.586 -2.058 432 HE2 PHE 60 HE2 PHE 60 12.146 2.264 -5.443 433 HZ PHE 60 HZ PHE 60 11.874 1.722 -3.044 434 H ASP 61 H ASP 61 5.577 5.185 -6.411 435 HA ASP 61 HA ASP 61 6.253 7.201 -4.428 436 1HB ASP 61 1HB ASP 61 3.677 7.363 -6.187 437 2HB ASP 61 2HB ASP 61 4.927 8.537 -5.847 438 H GLU 62 H GLU 62 2.966 6.093 -4.998 439 HA GLU 62 HA GLU 62 1.590 6.744 -2.560 440 1HB GLU 62 1HB GLU 62 1.132 4.094 -3.974 441 2HB GLU 62 2HB GLU 62 -0.010 5.018 -3.042 442 1HG GLU 62 1HG GLU 62 1.048 5.674 -5.874 443 2HG GLU 62 2HG GLU 62 -0.599 5.273 -5.420 444 H PHE 63 H PHE 63 3.823 3.990 -2.994 445 HA PHE 63 HA PHE 63 3.243 2.562 -0.440 446 1HB PHE 63 1HB PHE 63 4.444 1.601 -2.472 447 2HB PHE 63 2HB PHE 63 5.808 2.615 -2.143 448 HD1 PHE 63 HD1 PHE 63 3.765 0.034 -0.236 449 HD2 PHE 63 HD2 PHE 63 7.638 1.804 -0.858 450 HE1 PHE 63 HE1 PHE 63 4.773 -1.649 1.213 451 HE2 PHE 63 HE2 PHE 63 8.635 0.095 0.606 452 HZ PHE 63 HZ PHE 63 7.218 -1.674 1.593 453 H LEU 64 H LEU 64 5.719 4.975 -1.334 454 HA LEU 64 HA LEU 64 6.946 5.298 1.286 455 1HB LEU 64 1HB LEU 64 6.734 7.253 -1.063 456 2HB LEU 64 2HB LEU 64 7.675 7.614 0.364 457 HG LEU 64 HG LEU 64 8.222 5.085 -1.291 458 1HD1 LEU 64 1HD1 LEU 64 9.347 7.931 -1.761 459 2HD1 LEU 64 2HD1 LEU 64 10.017 6.440 -2.475 460 3HD1 LEU 64 3HD1 LEU 64 8.369 6.935 -2.873 461 1HD2 LEU 64 1HD2 LEU 64 9.992 6.743 0.653 462 2HD2 LEU 64 2HD2 LEU 64 9.371 5.088 0.916 463 3HD2 LEU 64 3HD2 LEU 64 10.573 5.388 -0.346 464 H LYS 65 H LYS 65 4.290 7.221 -0.122 465 HA LYS 65 HA LYS 65 3.882 8.978 2.209 466 1HB LYS 65 1HB LYS 65 1.840 8.273 0.044 467 2HB LYS 65 2HB LYS 65 2.049 9.822 0.838 468 1HG LYS 65 1HG LYS 65 4.265 8.667 -0.978 469 2HG LYS 65 2HG LYS 65 2.810 9.386 -1.693 470 1HD LYS 65 1HD LYS 65 4.346 10.872 0.493 471 2HD LYS 65 2HD LYS 65 4.928 10.970 -1.172 472 1HE LYS 65 1HE LYS 65 2.327 12.070 0.095 473 2HE LYS 65 2HE LYS 65 3.599 12.956 -0.768 474 1HZ LYS 65 1HZ LYS 65 2.056 10.820 -2.284 475 2HZ LYS 65 2HZ LYS 65 1.421 12.312 -2.115 476 3HZ LYS 65 3HZ LYS 65 2.819 12.149 -2.892 477 H MET 66 H MET 66 2.011 6.077 1.146 478 HA MET 66 HA MET 66 0.385 5.760 3.487 479 1HB MET 66 1HB MET 66 0.206 4.551 1.229 480 2HB MET 66 2HB MET 66 1.502 3.490 1.739 481 1HG MET 66 1HG MET 66 0.053 2.798 3.788 482 2HG MET 66 2HG MET 66 -1.302 3.632 3.004 483 1HE MET 66 1HE MET 66 1.483 0.874 2.647 484 2HE MET 66 2HE MET 66 1.141 0.205 1.024 485 3HE MET 66 3HE MET 66 1.732 1.886 1.191 486 H MET 67 H MET 67 3.744 4.626 3.094 487 HA MET 67 HA MET 67 4.006 3.309 5.699 488 1HB MET 67 1HB MET 67 5.667 3.384 3.609 489 2HB MET 67 2HB MET 67 6.298 4.838 4.356 490 1HG MET 67 1HG MET 67 7.764 3.202 5.219 491 2HG MET 67 2HG MET 67 6.617 3.390 6.561 492 1HE MET 67 1HE MET 67 8.371 1.399 6.595 493 2HE MET 67 2HE MET 67 7.394 -0.031 7.050 494 3HE MET 67 3HE MET 67 8.301 -0.025 5.507 495 H GLU 68 H GLU 68 4.702 6.710 4.770 496 HA GLU 68 HA GLU 68 5.124 7.600 7.540 497 1HB GLU 68 1HB GLU 68 6.104 8.584 5.403 498 2HB GLU 68 2HB GLU 68 4.591 9.388 5.120 499 1HG GLU 68 1HG GLU 68 4.927 10.579 7.453 500 2HG GLU 68 2HG GLU 68 6.553 9.922 7.457 501 H GLY 69 H GLY 69 2.235 7.482 5.585 502 1HA GLY 69 1HA GLY 69 -0.040 7.213 6.373 503 2HA GLY 69 2HA GLY 69 0.650 7.164 7.999 504 H VAL 70 H VAL 70 -0.983 9.146 5.658 505 HA VAL 70 HA VAL 70 -1.120 11.520 7.612 506 HB VAL 70 HB VAL 70 -0.497 11.537 4.655 507 1HG1 VAL 70 1HG1 VAL 70 -2.061 13.837 6.033 508 2HG1 VAL 70 2HG1 VAL 70 -1.259 13.954 4.446 509 3HG1 VAL 70 3HG1 VAL 70 -2.625 12.857 4.658 510 1HG2 VAL 70 1HG2 VAL 70 1.320 12.054 6.334 511 2HG2 VAL 70 2HG2 VAL 70 1.007 13.438 5.297 512 3HG2 VAL 70 3HG2 VAL 70 0.379 13.420 6.972 513 H GLN 71 H GLN 71 -3.119 12.728 7.471 514 HA GLN 71 HA GLN 71 -5.630 11.387 6.515 515 1HB GLN 71 1HB GLN 71 -4.724 9.811 8.235 516 2HB GLN 71 2HB GLN 71 -4.801 11.079 9.455 517 1HG GLN 71 1HG GLN 71 -7.424 11.162 8.560 518 2HG GLN 71 2HG GLN 71 -7.080 9.490 8.158 519 1HE2 GLN 71 1HE2 GLN 71 -7.763 10.511 12.006 520 2HE2 GLN 71 2HE2 GLN 71 -7.760 11.739 10.624 521 1HN NH2 72 1HN NH2 72 -6.915 13.141 6.015 522 2HN NH2 72 2HN NH2 72 -7.106 14.601 7.022 No H/Q in entry = 522 Start of MODEL 39 1 1H ACE 1 1HH3 ACE 1 23.365 9.232 0.550 2 2H ACE 1 2HH3 ACE 1 22.458 10.686 0.001 3 3H ACE 1 3HH3 ACE 1 23.223 10.648 1.615 4 H LYS 2 H LYS 2 20.911 8.670 -0.261 5 HA LYS 2 HA LYS 2 19.692 7.564 2.198 6 1HB LYS 2 1HB LYS 2 18.294 9.793 0.788 7 2HB LYS 2 2HB LYS 2 17.253 8.411 1.046 8 1HG LYS 2 1HG LYS 2 17.520 8.622 3.531 9 2HG LYS 2 2HG LYS 2 18.921 9.647 3.356 10 1HD LYS 2 1HD LYS 2 17.563 11.560 2.607 11 2HD LYS 2 2HD LYS 2 16.138 10.554 2.339 12 1HE LYS 2 1HE LYS 2 15.550 11.369 4.428 13 2HE LYS 2 2HE LYS 2 16.435 9.940 4.992 14 1HZ LYS 2 1HZ LYS 2 18.105 12.411 4.540 15 2HZ LYS 2 2HZ LYS 2 17.211 12.340 5.939 16 3HZ LYS 2 3HZ LYS 2 18.331 11.240 5.553 17 H SER 3 H SER 3 19.945 5.501 1.515 18 HA SER 3 HA SER 3 19.814 4.760 -1.433 19 1HB SER 3 1HB SER 3 20.685 2.516 -0.469 20 2HB SER 3 2HB SER 3 21.770 3.885 -0.437 21 HG SER 3 HG SER 3 20.051 3.381 1.778 22 H GLU 4 H GLU 4 17.854 4.304 -2.245 23 HA GLU 4 HA GLU 4 15.579 3.571 -0.349 24 1HB GLU 4 1HB GLU 4 14.141 4.136 -2.497 25 2HB GLU 4 2HB GLU 4 14.624 5.259 -1.249 26 1HG GLU 4 1HG GLU 4 14.873 6.421 -3.387 27 2HG GLU 4 2HG GLU 4 16.513 6.104 -2.834 28 H GLU 5 H GLU 5 17.722 1.875 -2.174 29 HA GLU 5 HA GLU 5 16.340 -0.344 -3.151 30 1HB GLU 5 1HB GLU 5 18.899 0.122 -2.750 31 2HB GLU 5 2HB GLU 5 18.700 -0.829 -1.309 32 1HG GLU 5 1HG GLU 5 17.698 -2.705 -2.984 33 2HG GLU 5 2HG GLU 5 18.487 -1.763 -4.236 34 H GLU 6 H GLU 6 17.146 -0.199 0.336 35 HA GLU 6 HA GLU 6 15.755 -2.542 1.146 36 1HB GLU 6 1HB GLU 6 16.748 -0.115 2.601 37 2HB GLU 6 2HB GLU 6 15.631 -1.117 3.478 38 1HG GLU 6 1HG GLU 6 17.189 -2.876 3.751 39 2HG GLU 6 2HG GLU 6 17.958 -2.616 2.195 40 H LEU 7 H LEU 7 14.316 0.627 0.707 41 HA LEU 7 HA LEU 7 11.555 -0.123 1.698 42 1HB LEU 7 1HB LEU 7 12.550 2.287 0.081 43 2HB LEU 7 2HB LEU 7 10.898 2.086 0.612 44 HG LEU 7 HG LEU 7 13.186 3.183 2.075 45 1HD1 LEU 7 1HD1 LEU 7 10.992 4.318 1.779 46 2HD1 LEU 7 2HD1 LEU 7 10.162 3.053 2.721 47 3HD1 LEU 7 3HD1 LEU 7 11.355 4.124 3.501 48 1HD2 LEU 7 1HD2 LEU 7 11.622 0.947 3.565 49 2HD2 LEU 7 2HD2 LEU 7 13.378 0.992 3.247 50 3HD2 LEU 7 3HD2 LEU 7 12.658 2.170 4.347 51 H ALA 8 H ALA 8 13.176 0.095 -1.496 52 HA ALA 8 HA ALA 8 11.018 -1.061 -3.051 53 1HB ALA 8 1HB ALA 8 14.083 -1.136 -3.474 54 2HB ALA 8 2HB ALA 8 12.871 -1.514 -4.714 55 3HB ALA 8 3HB ALA 8 12.955 0.118 -4.040 56 H ASN 9 H ASN 9 13.939 -2.959 -2.020 57 HA ASN 9 HA ASN 9 13.061 -5.597 -2.082 58 1HB ASN 9 1HB ASN 9 14.528 -4.207 0.265 59 2HB ASN 9 2HB ASN 9 14.352 -5.937 0.153 60 1HD2 ASN 9 1HD2 ASN 9 16.571 -5.814 -2.896 61 2HD2 ASN 9 2HD2 ASN 9 14.837 -6.301 -2.631 62 H ALA 10 H ALA 10 12.061 -3.379 0.529 63 HA ALA 10 HA ALA 10 10.234 -5.276 1.935 64 1HB ALA 10 1HB ALA 10 11.389 -3.350 3.041 65 2HB ALA 10 2HB ALA 10 10.454 -2.188 2.063 66 3HB ALA 10 3HB ALA 10 9.630 -3.233 3.242 67 H PHE 11 H PHE 11 9.674 -2.691 -0.467 68 HA PHE 11 HA PHE 11 6.782 -2.842 -0.602 69 1HB PHE 11 1HB PHE 11 8.150 -0.958 -1.465 70 2HB PHE 11 2HB PHE 11 8.818 -1.954 -2.713 71 HD1 PHE 11 HD1 PHE 11 5.685 -0.237 -1.643 72 HD2 PHE 11 HD2 PHE 11 7.596 -2.402 -4.833 73 HE1 PHE 11 HE1 PHE 11 3.959 0.537 -3.217 74 HE2 PHE 11 HE2 PHE 11 5.836 -1.648 -6.382 75 HZ PHE 11 HZ PHE 11 4.019 -0.173 -5.575 76 H ARG 12 H ARG 12 9.048 -4.387 -2.971 77 HA ARG 12 HA ARG 12 7.275 -6.298 -4.112 78 1HB ARG 12 1HB ARG 12 10.215 -6.770 -3.339 79 2HB ARG 12 2HB ARG 12 9.297 -7.794 -4.437 80 1HG ARG 12 1HG ARG 12 9.234 -6.140 -6.165 81 2HG ARG 12 2HG ARG 12 9.436 -4.785 -5.047 82 1HD ARG 12 1HD ARG 12 11.563 -4.911 -6.130 83 2HD ARG 12 2HD ARG 12 11.853 -5.734 -4.572 84 HE ARG 12 HE ARG 12 11.610 -7.969 -5.751 85 1HH1 ARG 12 2HH1 ARG 12 11.834 -5.249 -7.885 86 2HH1 ARG 12 1HH1 ARG 12 12.312 -6.298 -9.305 87 1HH2 ARG 12 1HH2 ARG 12 12.159 -9.122 -7.343 88 2HH2 ARG 12 2HH2 ARG 12 12.485 -8.406 -8.988 89 H ILE 13 H ILE 13 8.837 -6.604 -0.898 90 HA ILE 13 HA ILE 13 8.384 -9.546 -0.620 91 HB ILE 13 HB ILE 13 9.307 -7.369 1.309 92 1HG1 ILE 13 1HG1 ILE 13 10.867 -8.710 -0.483 93 2HG1 ILE 13 2HG1 ILE 13 11.457 -8.152 1.059 94 1HG2 ILE 13 1HG2 ILE 13 7.926 -8.946 2.718 95 2HG2 ILE 13 2HG2 ILE 13 8.829 -10.342 2.084 96 3HG2 ILE 13 3HG2 ILE 13 9.625 -9.135 3.112 97 1HD1 ILE 13 1HD1 ILE 13 11.107 -10.406 2.123 98 2HD1 ILE 13 2HD1 ILE 13 10.559 -11.053 0.557 99 3HD1 ILE 13 3HD1 ILE 13 12.221 -10.458 0.738 100 H PHE 14 H PHE 14 6.617 -6.628 0.256 101 HA PHE 14 HA PHE 14 4.463 -7.879 1.844 102 1HB PHE 14 1HB PHE 14 4.732 -5.225 0.319 103 2HB PHE 14 2HB PHE 14 3.187 -5.689 0.951 104 HD1 PHE 14 HD1 PHE 14 6.284 -6.568 2.831 105 HD2 PHE 14 HD2 PHE 14 3.028 -3.788 2.489 106 HE1 PHE 14 HE1 PHE 14 6.796 -5.686 5.073 107 HE2 PHE 14 HE2 PHE 14 3.558 -2.894 4.722 108 HZ PHE 14 HZ PHE 14 5.437 -3.838 6.020 109 H ASP 15 H ASP 15 4.481 -6.814 -1.577 110 HA ASP 15 HA ASP 15 1.731 -7.590 -2.071 111 1HB ASP 15 1HB ASP 15 2.915 -5.736 -3.226 112 2HB ASP 15 2HB ASP 15 3.987 -6.861 -4.045 113 H LYS 16 H LYS 16 0.718 -9.363 -3.016 114 HA LYS 16 HA LYS 16 2.099 -11.887 -2.207 115 1HB LYS 16 1HB LYS 16 -0.408 -12.452 -3.584 116 2HB LYS 16 2HB LYS 16 0.023 -12.746 -1.923 117 1HG LYS 16 1HG LYS 16 -0.561 -9.952 -1.945 118 2HG LYS 16 2HG LYS 16 -1.639 -10.576 -3.188 119 1HD LYS 16 1HD LYS 16 -1.504 -11.676 -0.302 120 2HD LYS 16 2HD LYS 16 -2.637 -10.448 -0.862 121 1HE LYS 16 1HE LYS 16 -4.108 -12.133 -1.207 122 2HE LYS 16 2HE LYS 16 -3.242 -12.395 -2.735 123 1HZ LYS 16 1HZ LYS 16 -1.617 -13.885 -1.225 124 2HZ LYS 16 2HZ LYS 16 -2.849 -13.874 -0.125 125 3HZ LYS 16 3HZ LYS 16 -3.094 -14.495 -1.610 126 H ASN 17 H ASN 17 0.848 -10.517 -5.259 127 HA ASN 17 HA ASN 17 2.104 -12.717 -6.861 128 1HB ASN 17 1HB ASN 17 0.193 -10.440 -7.614 129 2HB ASN 17 2HB ASN 17 0.836 -11.541 -8.803 130 1HD2 ASN 17 1HD2 ASN 17 -1.780 -13.326 -6.263 131 2HD2 ASN 17 2HD2 ASN 17 -0.242 -12.676 -5.608 132 H ALA 18 H ALA 18 2.276 -9.080 -7.224 133 HA ALA 18 HA ALA 18 4.334 -7.794 -6.949 134 1HB ALA 18 1HB ALA 18 5.144 -9.725 -5.540 135 2HB ALA 18 2HB ALA 18 5.677 -10.568 -7.011 136 3HB ALA 18 3HB ALA 18 6.458 -9.049 -6.542 137 H ASP 19 H ASP 19 3.261 -7.624 -9.361 138 HA ASP 19 HA ASP 19 5.683 -7.514 -11.220 139 1HB ASP 19 1HB ASP 19 3.023 -6.241 -11.975 140 2HB ASP 19 2HB ASP 19 4.209 -7.044 -12.994 141 H GLY 20 H GLY 20 4.293 -5.700 -8.718 142 1HA GLY 20 1HA GLY 20 5.974 -4.022 -7.791 143 2HA GLY 20 2HA GLY 20 6.103 -3.344 -9.419 144 H TYR 21 H TYR 21 2.857 -4.013 -8.425 145 HA TYR 21 HA TYR 21 2.435 -1.192 -7.272 146 1HB TYR 21 1HB TYR 21 0.421 -3.150 -8.551 147 2HB TYR 21 2HB TYR 21 -0.055 -1.710 -7.699 148 HD1 TYR 21 HD1 TYR 21 3.035 -1.311 -9.628 149 HD2 TYR 21 HD2 TYR 21 -1.252 -1.026 -9.823 150 HE1 TYR 21 HE1 TYR 21 3.213 0.182 -11.579 151 HE2 TYR 21 HE2 TYR 21 -1.044 0.446 -11.800 152 HH TYR 21 HH TYR 21 1.790 1.901 -12.749 153 H ILE 22 H ILE 22 0.987 -0.952 -5.462 154 HA ILE 22 HA ILE 22 0.238 -3.484 -3.887 155 HB ILE 22 HB ILE 22 0.085 -0.638 -2.770 156 1HG1 ILE 22 1HG1 ILE 22 2.491 -2.446 -2.895 157 2HG1 ILE 22 2HG1 ILE 22 2.401 -0.713 -2.731 158 1HG2 ILE 22 1HG2 ILE 22 -1.413 -2.320 -1.607 159 2HG2 ILE 22 2HG2 ILE 22 -0.024 -3.385 -1.316 160 3HG2 ILE 22 3HG2 ILE 22 -0.136 -1.792 -0.524 161 1HD1 ILE 22 1HD1 ILE 22 1.778 -0.924 -0.269 162 2HD1 ILE 22 2HD1 ILE 22 2.070 -2.678 -0.392 163 3HD1 ILE 22 3HD1 ILE 22 3.398 -1.537 -0.686 164 H ASP 23 H ASP 23 -1.755 -4.170 -4.198 165 HA ASP 23 HA ASP 23 -3.970 -2.251 -5.019 166 1HB ASP 23 1HB ASP 23 -5.121 -4.615 -5.533 167 2HB ASP 23 2HB ASP 23 -3.920 -3.938 -6.624 168 H ILE 24 H ILE 24 -6.196 -2.818 -4.267 169 HA ILE 24 HA ILE 24 -6.356 -2.674 -1.262 170 HB ILE 24 HB ILE 24 -7.854 -1.407 -3.034 171 1HG1 ILE 24 1HG1 ILE 24 -8.882 -0.616 -1.160 172 2HG1 ILE 24 2HG1 ILE 24 -9.898 -2.031 -1.100 173 1HG2 ILE 24 1HG2 ILE 24 -8.841 -3.442 -4.185 174 2HG2 ILE 24 2HG2 ILE 24 -9.571 -3.969 -2.656 175 3HG2 ILE 24 3HG2 ILE 24 -10.113 -2.474 -3.460 176 1HD1 ILE 24 1HD1 ILE 24 -8.150 -3.292 0.254 177 2HD1 ILE 24 2HD1 ILE 24 -7.213 -1.783 0.372 178 3HD1 ILE 24 3HD1 ILE 24 -8.842 -1.869 1.075 179 H GLU 25 H GLU 25 -6.330 -5.237 -3.554 180 HA GLU 25 HA GLU 25 -7.647 -7.236 -1.747 181 1HB GLU 25 1HB GLU 25 -7.391 -7.203 -4.402 182 2HB GLU 25 2HB GLU 25 -5.911 -8.057 -4.090 183 1HG GLU 25 1HG GLU 25 -8.224 -9.382 -4.554 184 2HG GLU 25 2HG GLU 25 -7.021 -10.058 -3.471 185 H GLU 26 H GLU 26 -4.330 -6.262 -2.432 186 HA GLU 26 HA GLU 26 -3.074 -8.447 -0.795 187 1HB GLU 26 1HB GLU 26 -0.986 -7.698 -1.465 188 2HB GLU 26 2HB GLU 26 -2.004 -7.486 -2.857 189 1HG GLU 26 1HG GLU 26 -0.912 -5.432 -3.001 190 2HG GLU 26 2HG GLU 26 -2.127 -4.888 -1.860 191 H LEU 27 H LEU 27 -3.701 -4.998 -0.295 192 HA LEU 27 HA LEU 27 -1.927 -4.625 1.965 193 1HB LEU 27 1HB LEU 27 -2.717 -2.811 0.495 194 2HB LEU 27 2HB LEU 27 -4.357 -2.976 1.069 195 HG LEU 27 HG LEU 27 -2.145 -2.262 3.071 196 1HD1 LEU 27 1HD1 LEU 27 -1.871 -0.685 1.154 197 2HD1 LEU 27 2HD1 LEU 27 -3.596 -0.226 1.239 198 3HD1 LEU 27 3HD1 LEU 27 -2.480 0.144 2.586 199 1HD2 LEU 27 1HD2 LEU 27 -5.160 -1.506 2.957 200 2HD2 LEU 27 2HD2 LEU 27 -4.426 -2.751 4.012 201 3HD2 LEU 27 3HD2 LEU 27 -4.000 -1.050 4.235 202 H GLY 28 H GLY 28 -5.422 -5.250 2.028 203 1HA GLY 28 1HA GLY 28 -5.976 -5.364 4.924 204 2HA GLY 28 2HA GLY 28 -6.802 -6.325 3.691 205 H GLU 29 H GLU 29 -4.835 -7.951 2.714 206 HA GLU 29 HA GLU 29 -4.801 -10.155 4.680 207 1HB GLU 29 1HB GLU 29 -4.931 -10.708 2.377 208 2HB GLU 29 2HB GLU 29 -3.519 -9.791 1.947 209 1HG GLU 29 1HG GLU 29 -3.275 -12.274 3.775 210 2HG GLU 29 2HG GLU 29 -3.339 -12.437 2.029 211 H ILE 30 H ILE 30 -2.379 -7.738 3.823 212 HA ILE 30 HA ILE 30 -0.111 -8.855 5.442 213 HB ILE 30 HB ILE 30 -0.600 -6.062 4.291 214 1HG1 ILE 30 1HG1 ILE 30 0.024 -7.706 2.530 215 2HG1 ILE 30 2HG1 ILE 30 1.287 -6.526 2.758 216 1HG2 ILE 30 1HG2 ILE 30 0.768 -5.807 6.393 217 2HG2 ILE 30 2HG2 ILE 30 1.929 -7.027 5.808 218 3HG2 ILE 30 3HG2 ILE 30 1.750 -5.457 4.974 219 1HD1 ILE 30 1HD1 ILE 30 1.498 -9.394 3.895 220 2HD1 ILE 30 2HD1 ILE 30 2.300 -8.741 2.450 221 3HD1 ILE 30 3HD1 ILE 30 2.711 -8.097 4.052 222 H LEU 31 H LEU 31 -2.434 -6.173 5.987 223 HA LEU 31 HA LEU 31 -1.544 -5.574 8.790 224 1HB LEU 31 1HB LEU 31 -3.554 -4.156 8.927 225 2HB LEU 31 2HB LEU 31 -2.571 -3.774 7.535 226 HG LEU 31 HG LEU 31 -4.242 -5.279 6.145 227 1HD1 LEU 31 1HD1 LEU 31 -5.923 -4.793 8.697 228 2HD1 LEU 31 2HD1 LEU 31 -6.563 -5.359 7.130 229 3HD1 LEU 31 3HD1 LEU 31 -5.407 -6.360 8.013 230 1HD2 LEU 31 1HD2 LEU 31 -5.144 -2.558 7.336 231 2HD2 LEU 31 2HD2 LEU 31 -4.212 -2.812 5.833 232 3HD2 LEU 31 3HD2 LEU 31 -5.892 -3.350 5.924 233 H ARG 32 H ARG 32 -3.617 -8.033 7.427 234 HA ARG 32 HA ARG 32 -4.347 -8.988 10.205 235 1HB ARG 32 1HB ARG 32 -5.264 -9.215 7.457 236 2HB ARG 32 2HB ARG 32 -4.976 -10.853 8.038 237 1HG ARG 32 1HG ARG 32 -6.542 -8.892 9.812 238 2HG ARG 32 2HG ARG 32 -7.327 -9.529 8.355 239 1HD ARG 32 1HD ARG 32 -6.673 -11.928 9.170 240 2HD ARG 32 2HD ARG 32 -6.177 -11.190 10.710 241 HE ARG 32 HE ARG 32 -8.984 -10.536 9.718 242 1HH1 ARG 32 2HH1 ARG 32 -7.049 -12.274 12.021 243 2HH1 ARG 32 1HH1 ARG 32 -8.478 -12.547 13.127 244 1HH2 ARG 32 1HH2 ARG 32 -10.568 -10.860 10.990 245 2HH2 ARG 32 2HH2 ARG 32 -10.367 -11.791 12.544 246 H ALA 33 H ALA 33 -2.892 -10.825 7.510 247 HA ALA 33 HA ALA 33 -1.930 -12.850 9.441 248 1HB ALA 33 1HB ALA 33 -3.140 -13.407 7.338 249 2HB ALA 33 2HB ALA 33 -1.805 -12.747 6.354 250 3HB ALA 33 3HB ALA 33 -1.551 -14.190 7.360 251 H THR 34 H THR 34 0.190 -13.927 7.735 252 HA THR 34 HA THR 34 2.558 -12.741 9.145 253 HB THR 34 HB THR 34 2.026 -15.289 8.353 254 HG1 THR 34 HG1 THR 34 3.746 -14.910 9.623 255 1HG2 THR 34 2HG2 THR 34 2.257 -14.654 5.861 256 2HG2 THR 34 3HG2 THR 34 3.966 -14.249 6.168 257 3HG2 THR 34 1HG2 THR 34 3.406 -15.917 6.373 258 H GLY 35 H GLY 35 4.020 -11.253 8.299 259 1HA GLY 35 1HA GLY 35 4.003 -10.231 5.545 260 2HA GLY 35 2HA GLY 35 5.325 -10.008 6.696 261 1HN NH2 36 1HN NH2 36 6.968 -10.198 5.082 262 2HN NH2 36 2HN NH2 36 7.414 -11.788 4.405 263 1H ACE 37 1HH3 ACE 37 -14.894 -7.749 13.497 264 2H ACE 37 2HH3 ACE 37 -13.159 -7.756 13.964 265 3H ACE 37 3HH3 ACE 37 -14.241 -6.465 14.550 266 H VAL 38 H VAL 38 -13.545 -7.862 11.286 267 HA VAL 38 HA VAL 38 -12.900 -5.079 10.252 268 HB VAL 38 HB VAL 38 -10.755 -6.107 9.120 269 1HG1 VAL 38 1HG1 VAL 38 -10.769 -5.221 12.098 270 2HG1 VAL 38 2HG1 VAL 38 -9.307 -5.309 11.089 271 3HG1 VAL 38 3HG1 VAL 38 -10.593 -4.169 10.682 272 1HG2 VAL 38 1HG2 VAL 38 -10.941 -8.465 10.027 273 2HG2 VAL 38 2HG2 VAL 38 -9.456 -7.683 10.610 274 3HG2 VAL 38 3HG2 VAL 38 -10.866 -7.838 11.688 275 H THR 39 H THR 39 -14.676 -5.226 8.926 276 HA THR 39 HA THR 39 -14.990 -7.620 7.032 277 HB THR 39 HB THR 39 -17.368 -6.782 6.658 278 HG1 THR 39 HG1 THR 39 -17.126 -5.517 9.154 279 1HG2 THR 39 2HG2 THR 39 -16.612 -7.620 9.546 280 2HG2 THR 39 3HG2 THR 39 -18.234 -7.757 8.825 281 3HG2 THR 39 1HG2 THR 39 -16.891 -8.723 8.177 282 H GLU 40 H GLU 40 -16.114 -6.703 4.844 283 HA GLU 40 HA GLU 40 -13.674 -5.522 3.592 284 1HB GLU 40 1HB GLU 40 -16.285 -6.540 2.398 285 2HB GLU 40 2HB GLU 40 -15.041 -5.818 1.423 286 1HG GLU 40 1HG GLU 40 -14.315 -8.006 1.145 287 2HG GLU 40 2HG GLU 40 -13.519 -7.795 2.693 288 H GLU 41 H GLU 41 -17.086 -4.444 3.582 289 HA GLU 41 HA GLU 41 -16.727 -2.033 2.159 290 1HB GLU 41 1HB GLU 41 -18.892 -3.005 2.462 291 2HB GLU 41 2HB GLU 41 -18.877 -2.779 4.185 292 1HG GLU 41 1HG GLU 41 -19.098 -0.265 3.888 293 2HG GLU 41 2HG GLU 41 -19.015 -0.440 2.144 294 H ASP 42 H ASP 42 -15.895 -2.472 5.482 295 HA ASP 42 HA ASP 42 -15.579 0.466 6.147 296 1HB ASP 42 1HB ASP 42 -15.054 -2.156 7.644 297 2HB ASP 42 2HB ASP 42 -14.346 -0.659 8.233 298 H ILE 43 H ILE 43 -13.489 -2.258 5.236 299 HA ILE 43 HA ILE 43 -10.892 -0.741 5.291 300 HB ILE 43 HB ILE 43 -11.676 -3.433 4.077 301 1HG1 ILE 43 1HG1 ILE 43 -11.254 -3.975 6.312 302 2HG1 ILE 43 2HG1 ILE 43 -9.650 -4.157 5.655 303 1HG2 ILE 43 1HG2 ILE 43 -9.970 -2.431 2.507 304 2HG2 ILE 43 2HG2 ILE 43 -8.880 -2.090 3.866 305 3HG2 ILE 43 3HG2 ILE 43 -9.248 -3.767 3.392 306 1HD1 ILE 43 1HD1 ILE 43 -8.978 -1.849 6.447 307 2HD1 ILE 43 2HD1 ILE 43 -10.557 -1.691 7.262 308 3HD1 ILE 43 3HD1 ILE 43 -9.422 -2.965 7.757 309 H GLU 44 H GLU 44 -13.525 -1.208 3.037 310 HA GLU 44 HA GLU 44 -12.198 0.029 0.650 311 1HB GLU 44 1HB GLU 44 -14.849 -1.141 1.254 312 2HB GLU 44 2HB GLU 44 -14.958 0.255 0.224 313 1HG GLU 44 1HG GLU 44 -12.840 -1.460 -0.878 314 2HG GLU 44 2HG GLU 44 -14.214 -2.485 -0.506 315 H ASP 45 H ASP 45 -14.155 1.201 3.327 316 HA ASP 45 HA ASP 45 -14.293 4.065 2.417 317 1HB ASP 45 1HB ASP 45 -15.035 2.571 4.991 318 2HB ASP 45 2HB ASP 45 -14.990 4.329 4.972 319 H LEU 46 H LEU 46 -12.130 2.126 4.428 320 HA LEU 46 HA LEU 46 -10.256 4.276 5.228 321 1HB LEU 46 1HB LEU 46 -10.364 2.009 6.246 322 2HB LEU 46 2HB LEU 46 -9.767 1.271 4.779 323 HG LEU 46 HG LEU 46 -7.710 3.130 5.367 324 1HD1 LEU 46 1HD1 LEU 46 -9.029 2.173 7.939 325 2HD1 LEU 46 2HD1 LEU 46 -7.269 2.353 7.887 326 3HD1 LEU 46 3HD1 LEU 46 -8.314 3.769 7.570 327 1HD2 LEU 46 1HD2 LEU 46 -7.620 0.585 4.707 328 2HD2 LEU 46 2HD2 LEU 46 -6.317 1.191 5.772 329 3HD2 LEU 46 3HD2 LEU 46 -7.683 0.247 6.438 330 H MET 47 H MET 47 -9.839 1.990 2.518 331 HA MET 47 HA MET 47 -7.493 3.217 1.399 332 1HB MET 47 1HB MET 47 -8.147 0.933 0.815 333 2HB MET 47 2HB MET 47 -9.628 1.479 0.048 334 1HG MET 47 1HG MET 47 -8.101 1.001 -1.775 335 2HG MET 47 2HG MET 47 -8.218 2.768 -1.691 336 1HE MET 47 1HE MET 47 -6.079 2.140 -3.331 337 2HE MET 47 2HE MET 47 -6.130 3.751 -2.559 338 3HE MET 47 3HE MET 47 -4.591 2.844 -2.607 339 H LYS 48 H LYS 48 -10.898 3.849 0.550 340 HA LYS 48 HA LYS 48 -10.267 5.838 -1.586 341 1HB LYS 48 1HB LYS 48 -12.620 4.450 -0.438 342 2HB LYS 48 2HB LYS 48 -13.035 6.082 -0.865 343 1HG LYS 48 1HG LYS 48 -12.817 5.640 -3.219 344 2HG LYS 48 2HG LYS 48 -11.485 4.552 -2.989 345 1HD LYS 48 1HD LYS 48 -12.821 2.662 -2.420 346 2HD LYS 48 2HD LYS 48 -14.252 3.568 -2.057 347 1HE LYS 48 1HE LYS 48 -14.891 2.802 -4.200 348 2HE LYS 48 2HE LYS 48 -14.028 4.231 -4.743 349 1HZ LYS 48 1HZ LYS 48 -12.612 1.548 -4.471 350 2HZ LYS 48 2HZ LYS 48 -13.124 2.191 -5.910 351 3HZ LYS 48 3HZ LYS 48 -11.956 2.886 -5.007 352 H ASP 49 H ASP 49 -10.914 6.010 1.840 353 HA ASP 49 HA ASP 49 -11.252 9.009 1.993 354 1HB ASP 49 1HB ASP 49 -12.267 7.495 3.724 355 2HB ASP 49 2HB ASP 49 -10.671 6.964 4.232 356 H SER 50 H SER 50 -8.586 6.708 2.372 357 HA SER 50 HA SER 50 -6.396 8.699 2.826 358 1HB SER 50 1HB SER 50 -6.246 5.840 1.658 359 2HB SER 50 2HB SER 50 -4.876 6.789 2.226 360 HG SER 50 HG SER 50 -5.293 5.885 4.055 361 H ASP 51 H ASP 51 -7.956 7.245 -0.007 362 HA ASP 51 HA ASP 51 -6.112 8.200 -2.055 363 1HB ASP 51 1HB ASP 51 -7.781 6.291 -2.255 364 2HB ASP 51 2HB ASP 51 -9.093 7.456 -2.372 365 H LYS 52 H LYS 52 -6.407 9.801 -3.703 366 HA LYS 52 HA LYS 52 -8.026 12.259 -2.911 367 1HB LYS 52 1HB LYS 52 -5.063 12.178 -3.680 368 2HB LYS 52 2HB LYS 52 -5.962 13.658 -3.813 369 1HG LYS 52 1HG LYS 52 -4.968 13.918 -1.656 370 2HG LYS 52 2HG LYS 52 -6.519 13.277 -1.211 371 1HD LYS 52 1HD LYS 52 -5.684 11.446 -0.228 372 2HD LYS 52 2HD LYS 52 -4.802 10.931 -1.626 373 1HE LYS 52 1HE LYS 52 -2.935 12.728 -0.844 374 2HE LYS 52 2HE LYS 52 -3.853 12.808 0.659 375 1HZ LYS 52 1HZ LYS 52 -2.937 10.139 -0.449 376 2HZ LYS 52 2HZ LYS 52 -1.979 10.946 0.521 377 3HZ LYS 52 3HZ LYS 52 -3.441 10.408 1.080 378 H ASN 53 H ASN 53 -5.762 12.013 -5.593 379 HA ASN 53 HA ASN 53 -7.778 12.816 -7.549 380 1HB ASN 53 1HB ASN 53 -5.934 13.145 -9.037 381 2HB ASN 53 2HB ASN 53 -5.229 13.374 -7.461 382 1HD2 ASN 53 1HD2 ASN 53 -3.656 10.595 -9.850 383 2HD2 ASN 53 2HD2 ASN 53 -4.973 11.732 -10.384 384 H ASN 54 H ASN 54 -7.785 9.903 -6.356 385 HA ASN 54 HA ASN 54 -9.189 8.048 -6.965 386 1HB ASN 54 1HB ASN 54 -9.573 9.892 -9.403 387 2HB ASN 54 2HB ASN 54 -10.175 8.259 -9.474 388 1HD2 ASN 54 1HD2 ASN 54 -12.941 8.987 -7.349 389 2HD2 ASN 54 2HD2 ASN 54 -11.917 7.664 -8.070 390 H ASP 55 H ASP 55 -6.290 8.104 -7.403 391 HA ASP 55 HA ASP 55 -5.865 5.747 -9.245 392 1HB ASP 55 1HB ASP 55 -4.013 6.471 -6.918 393 2HB ASP 55 2HB ASP 55 -3.610 5.744 -8.467 394 H GLY 56 H GLY 56 -7.800 4.647 -8.524 395 1HA GLY 56 1HA GLY 56 -8.422 3.237 -6.069 396 2HA GLY 56 2HA GLY 56 -8.594 2.532 -7.680 397 H ARG 57 H ARG 57 -5.684 2.647 -8.264 398 HA ARG 57 HA ARG 57 -4.578 0.616 -6.251 399 1HB ARG 57 1HB ARG 57 -4.018 0.858 -9.270 400 2HB ARG 57 2HB ARG 57 -3.360 -0.380 -8.199 401 1HG ARG 57 1HG ARG 57 -5.689 -1.257 -7.748 402 2HG ARG 57 2HG ARG 57 -6.394 0.043 -8.706 403 1HD ARG 57 1HD ARG 57 -4.720 -0.974 -10.642 404 2HD ARG 57 2HD ARG 57 -4.827 -2.412 -9.627 405 HE ARG 57 HE ARG 57 -7.484 -2.009 -9.635 406 1HH1 ARG 57 2HH1 ARG 57 -5.414 -1.671 -12.390 407 2HH1 ARG 57 1HH1 ARG 57 -6.832 -1.888 -13.545 408 1HH2 ARG 57 1HH2 ARG 57 -8.962 -2.392 -10.910 409 2HH2 ARG 57 2HH2 ARG 57 -8.734 -2.408 -12.727 410 H ILE 58 H ILE 58 -2.428 0.570 -5.714 411 HA ILE 58 HA ILE 58 -1.047 3.283 -5.783 412 HB ILE 58 HB ILE 58 -1.107 1.068 -3.679 413 1HG1 ILE 58 1HG1 ILE 58 -2.050 4.013 -3.633 414 2HG1 ILE 58 2HG1 ILE 58 -3.070 2.602 -3.638 415 1HG2 ILE 58 1HG2 ILE 58 1.257 1.973 -3.714 416 2HG2 ILE 58 2HG2 ILE 58 0.644 3.631 -3.551 417 3HG2 ILE 58 3HG2 ILE 58 0.434 2.453 -2.234 418 1HD1 ILE 58 1HD1 ILE 58 -2.211 1.875 -1.363 419 2HD1 ILE 58 2HD1 ILE 58 -1.260 3.381 -1.271 420 3HD1 ILE 58 3HD1 ILE 58 -3.034 3.455 -1.357 421 H ASP 59 H ASP 59 1.063 3.556 -6.319 422 HA ASP 59 HA ASP 59 2.824 1.113 -6.863 423 1HB ASP 59 1HB ASP 59 3.984 2.539 -8.558 424 2HB ASP 59 2HB ASP 59 2.261 2.408 -8.882 425 H PHE 60 H PHE 60 5.291 2.162 -6.992 426 HA PHE 60 HA PHE 60 6.191 2.073 -4.238 427 1HB PHE 60 1HB PHE 60 7.481 1.495 -6.431 428 2HB PHE 60 2HB PHE 60 7.842 3.184 -6.583 429 HD1 PHE 60 HD1 PHE 60 7.910 2.431 -3.058 430 HD2 PHE 60 HD2 PHE 60 10.202 1.955 -6.660 431 HE1 PHE 60 HE1 PHE 60 9.980 2.237 -1.727 432 HE2 PHE 60 HE2 PHE 60 12.258 1.791 -5.332 433 HZ PHE 60 HZ PHE 60 12.163 1.938 -2.864 434 H ASP 61 H ASP 61 5.802 4.916 -6.322 435 HA ASP 61 HA ASP 61 6.752 7.088 -4.625 436 1HB ASP 61 1HB ASP 61 4.173 7.313 -6.377 437 2HB ASP 61 2HB ASP 61 5.560 8.363 -6.208 438 H GLU 62 H GLU 62 3.350 6.298 -5.028 439 HA GLU 62 HA GLU 62 2.129 7.485 -2.710 440 1HB GLU 62 1HB GLU 62 1.254 4.766 -3.748 441 2HB GLU 62 2HB GLU 62 0.282 5.968 -2.952 442 1HG GLU 62 1HG GLU 62 1.544 6.527 -5.724 443 2HG GLU 62 2HG GLU 62 0.017 5.679 -5.569 444 H PHE 63 H PHE 63 4.066 4.496 -2.717 445 HA PHE 63 HA PHE 63 3.364 3.527 0.026 446 1HB PHE 63 1HB PHE 63 4.459 2.164 -1.846 447 2HB PHE 63 2HB PHE 63 5.916 3.075 -1.634 448 HD1 PHE 63 HD1 PHE 63 4.069 2.095 1.491 449 HD2 PHE 63 HD2 PHE 63 7.067 0.848 -1.333 450 HE1 PHE 63 HE1 PHE 63 5.194 0.767 3.244 451 HE2 PHE 63 HE2 PHE 63 8.129 -0.511 0.401 452 HZ PHE 63 HZ PHE 63 7.287 -0.449 2.724 453 H LEU 64 H LEU 64 6.230 5.292 -1.191 454 HA LEU 64 HA LEU 64 7.353 6.047 1.366 455 1HB LEU 64 1HB LEU 64 7.583 7.393 -1.374 456 2HB LEU 64 2HB LEU 64 8.485 7.966 0.006 457 HG LEU 64 HG LEU 64 8.721 5.083 -1.047 458 1HD1 LEU 64 1HD1 LEU 64 10.416 7.574 -1.764 459 2HD1 LEU 64 2HD1 LEU 64 10.870 5.890 -2.139 460 3HD1 LEU 64 3HD1 LEU 64 9.407 6.578 -2.849 461 1HD2 LEU 64 1HD2 LEU 64 10.527 6.734 0.869 462 2HD2 LEU 64 2HD2 LEU 64 9.575 5.278 1.281 463 3HD2 LEU 64 3HD2 LEU 64 10.955 5.146 0.183 464 H LYS 65 H LYS 65 4.764 7.664 -0.398 465 HA LYS 65 HA LYS 65 4.557 9.980 1.493 466 1HB LYS 65 1HB LYS 65 2.918 8.801 -0.816 467 2HB LYS 65 2HB LYS 65 2.391 10.259 0.004 468 1HG LYS 65 1HG LYS 65 5.220 10.492 -0.938 469 2HG LYS 65 2HG LYS 65 4.150 9.960 -2.249 470 1HD LYS 65 1HD LYS 65 2.528 11.867 -1.130 471 2HD LYS 65 2HD LYS 65 4.080 12.587 -0.690 472 1HE LYS 65 1HE LYS 65 4.603 12.296 -3.336 473 2HE LYS 65 2HE LYS 65 2.852 12.046 -3.470 474 1HZ LYS 65 1HZ LYS 65 2.854 14.254 -1.873 475 2HZ LYS 65 2HZ LYS 65 4.250 14.567 -2.608 476 3HZ LYS 65 3HZ LYS 65 2.865 14.431 -3.493 477 H MET 66 H MET 66 2.415 7.080 0.978 478 HA MET 66 HA MET 66 0.923 7.091 3.354 479 1HB MET 66 1HB MET 66 0.457 5.331 1.860 480 2HB MET 66 2HB MET 66 2.137 4.867 1.688 481 1HG MET 66 1HG MET 66 2.077 3.334 3.394 482 2HG MET 66 2HG MET 66 1.169 4.398 4.486 483 1HE MET 66 1HE MET 66 1.024 1.131 3.524 484 2HE MET 66 2HE MET 66 -0.333 0.791 2.409 485 3HE MET 66 3HE MET 66 1.129 1.630 1.807 486 H MET 67 H MET 67 4.403 6.119 3.291 487 HA MET 67 HA MET 67 4.611 6.068 6.250 488 1HB MET 67 1HB MET 67 6.476 5.920 3.924 489 2HB MET 67 2HB MET 67 7.143 6.871 5.236 490 1HG MET 67 1HG MET 67 7.898 4.600 5.610 491 2HG MET 67 2HG MET 67 6.690 4.931 6.867 492 1HE MET 67 1HE MET 67 7.247 2.160 6.731 493 2HE MET 67 2HE MET 67 5.682 2.614 7.474 494 3HE MET 67 3HE MET 67 5.757 1.253 6.313 495 H GLU 68 H GLU 68 6.200 8.515 4.157 496 HA GLU 68 HA GLU 68 6.573 10.247 6.555 497 1HB GLU 68 1HB GLU 68 7.536 10.517 3.680 498 2HB GLU 68 2HB GLU 68 7.839 11.749 4.867 499 1HG GLU 68 1HG GLU 68 8.794 8.823 5.239 500 2HG GLU 68 2HG GLU 68 9.770 10.051 4.454 501 H GLY 69 H GLY 69 4.146 10.248 4.082 502 1HA GLY 69 1HA GLY 69 3.677 13.284 4.321 503 2HA GLY 69 2HA GLY 69 3.369 12.406 2.817 504 H VAL 70 H VAL 70 2.447 11.074 5.950 505 HA VAL 70 HA VAL 70 -0.514 11.597 5.331 506 HB VAL 70 HB VAL 70 0.525 9.177 5.561 507 1HG1 VAL 70 1HG1 VAL 70 0.016 9.836 8.551 508 2HG1 VAL 70 2HG1 VAL 70 0.263 8.198 7.894 509 3HG1 VAL 70 3HG1 VAL 70 1.575 9.376 7.826 510 1HG2 VAL 70 1HG2 VAL 70 -1.946 9.624 5.263 511 2HG2 VAL 70 2HG2 VAL 70 -1.676 8.275 6.356 512 3HG2 VAL 70 3HG2 VAL 70 -2.138 9.874 7.012 513 H GLN 71 H GLN 71 1.374 13.499 6.613 514 HA GLN 71 HA GLN 71 0.730 13.335 9.566 515 1HB GLN 71 1HB GLN 71 3.110 13.229 8.378 516 2HB GLN 71 2HB GLN 71 3.010 14.988 8.409 517 1HG GLN 71 1HG GLN 71 2.890 13.065 10.833 518 2HG GLN 71 2HG GLN 71 4.220 14.141 10.449 519 1HE2 GLN 71 1HE2 GLN 71 1.108 15.518 12.632 520 2HE2 GLN 71 2HE2 GLN 71 1.174 13.799 11.954 521 1HN NH2 72 1HN NH2 72 0.612 15.751 6.848 522 2HN NH2 72 2HN NH2 72 -0.191 17.044 7.779 No H/Q in entry = 522 Start of MODEL 40 1 1H ACE 1 1HH3 ACE 1 19.028 11.035 2.880 2 2H ACE 1 2HH3 ACE 1 19.632 11.909 1.427 3 3H ACE 1 3HH3 ACE 1 17.908 11.997 1.889 4 H LYS 2 H LYS 2 20.392 9.639 0.833 5 HA LYS 2 HA LYS 2 18.560 8.044 -0.791 6 1HB LYS 2 1HB LYS 2 21.392 7.738 0.181 7 2HB LYS 2 2HB LYS 2 20.629 6.245 -0.320 8 1HG LYS 2 1HG LYS 2 21.145 8.812 -2.021 9 2HG LYS 2 2HG LYS 2 21.933 7.266 -2.201 10 1HD LYS 2 1HD LYS 2 19.321 6.448 -2.628 11 2HD LYS 2 2HD LYS 2 19.156 8.134 -3.124 12 1HE LYS 2 1HE LYS 2 20.924 7.964 -4.798 13 2HE LYS 2 2HE LYS 2 21.469 6.376 -4.229 14 1HZ LYS 2 1HZ LYS 2 18.751 5.975 -4.692 15 2HZ LYS 2 2HZ LYS 2 19.018 6.982 -5.860 16 3HZ LYS 2 3HZ LYS 2 19.855 5.547 -5.794 17 H SER 3 H SER 3 17.071 6.574 -0.228 18 HA SER 3 HA SER 3 17.054 5.018 2.284 19 1HB SER 3 1HB SER 3 15.793 7.745 2.272 20 2HB SER 3 2HB SER 3 14.827 6.500 3.027 21 HG SER 3 HG SER 3 17.109 5.961 4.024 22 H GLU 4 H GLU 4 16.648 4.452 -0.472 23 HA GLU 4 HA GLU 4 13.690 3.697 -0.650 24 1HB GLU 4 1HB GLU 4 15.337 3.683 -3.164 25 2HB GLU 4 2HB GLU 4 13.609 3.687 -2.905 26 1HG GLU 4 1HG GLU 4 14.166 6.221 -1.931 27 2HG GLU 4 2HG GLU 4 15.535 6.048 -3.023 28 H GLU 5 H GLU 5 16.906 2.492 -0.497 29 HA GLU 5 HA GLU 5 16.843 0.078 -1.859 30 1HB GLU 5 1HB GLU 5 18.904 0.746 -1.056 31 2HB GLU 5 2HB GLU 5 18.382 0.919 0.592 32 1HG GLU 5 1HG GLU 5 18.741 -1.388 1.107 33 2HG GLU 5 2HG GLU 5 18.436 -1.935 -0.531 34 H GLU 6 H GLU 6 15.745 0.276 1.527 35 HA GLU 6 HA GLU 6 15.037 -2.620 1.533 36 1HB GLU 6 1HB GLU 6 14.521 -2.175 4.004 37 2HB GLU 6 2HB GLU 6 16.165 -2.093 3.450 38 1HG GLU 6 1HG GLU 6 16.190 0.393 3.614 39 2HG GLU 6 2HG GLU 6 14.456 0.462 3.870 40 H LEU 7 H LEU 7 13.152 0.354 1.565 41 HA LEU 7 HA LEU 7 10.455 -1.017 1.505 42 1HB LEU 7 1HB LEU 7 11.333 1.825 0.757 43 2HB LEU 7 2HB LEU 7 9.684 1.267 0.613 44 HG LEU 7 HG LEU 7 11.287 1.695 3.190 45 1HD1 LEU 7 1HD1 LEU 7 10.183 3.691 2.197 46 2HD1 LEU 7 2HD1 LEU 7 8.607 2.857 2.167 47 3HD1 LEU 7 3HD1 LEU 7 9.395 3.246 3.718 48 1HD2 LEU 7 1HD2 LEU 7 8.531 0.275 2.944 49 2HD2 LEU 7 2HD2 LEU 7 10.044 -0.431 3.576 50 3HD2 LEU 7 3HD2 LEU 7 9.248 0.869 4.466 51 H ALA 8 H ALA 8 12.930 -0.169 -0.912 52 HA ALA 8 HA ALA 8 11.530 -1.185 -3.229 53 1HB ALA 8 1HB ALA 8 14.541 -1.236 -2.515 54 2HB ALA 8 2HB ALA 8 13.871 -1.491 -4.139 55 3HB ALA 8 3HB ALA 8 13.658 0.071 -3.339 56 H ASN 9 H ASN 9 14.065 -3.192 -1.610 57 HA ASN 9 HA ASN 9 13.272 -5.830 -2.047 58 1HB ASN 9 1HB ASN 9 13.894 -4.719 0.778 59 2HB ASN 9 2HB ASN 9 14.061 -6.378 0.274 60 1HD2 ASN 9 1HD2 ASN 9 16.875 -4.914 -1.959 61 2HD2 ASN 9 2HD2 ASN 9 15.163 -5.319 -2.426 62 H ALA 10 H ALA 10 11.618 -3.815 0.414 63 HA ALA 10 HA ALA 10 9.653 -5.837 1.328 64 1HB ALA 10 1HB ALA 10 10.382 -3.841 2.651 65 2HB ALA 10 2HB ALA 10 9.597 -2.743 1.486 66 3HB ALA 10 3HB ALA 10 8.618 -3.863 2.459 67 H PHE 11 H PHE 11 9.396 -3.212 -1.084 68 HA PHE 11 HA PHE 11 6.554 -3.606 -1.688 69 1HB PHE 11 1HB PHE 11 7.823 -1.467 -1.976 70 2HB PHE 11 2HB PHE 11 8.743 -2.156 -3.270 71 HD1 PHE 11 HD1 PHE 11 5.007 -2.433 -2.761 72 HD2 PHE 11 HD2 PHE 11 8.173 -0.853 -5.211 73 HE1 PHE 11 HE1 PHE 11 3.350 -1.545 -4.348 74 HE2 PHE 11 HE2 PHE 11 6.497 0.020 -6.791 75 HZ PHE 11 HZ PHE 11 4.089 -0.403 -6.402 76 H ARG 12 H ARG 12 9.439 -4.838 -3.366 77 HA ARG 12 HA ARG 12 7.898 -6.261 -5.437 78 1HB ARG 12 1HB ARG 12 10.842 -6.370 -4.590 79 2HB ARG 12 2HB ARG 12 10.219 -7.416 -5.861 80 1HG ARG 12 1HG ARG 12 9.261 -5.073 -6.867 81 2HG ARG 12 2HG ARG 12 10.514 -4.354 -5.848 82 1HD ARG 12 1HD ARG 12 12.175 -6.089 -6.983 83 2HD ARG 12 2HD ARG 12 10.882 -6.321 -8.192 84 HE ARG 12 HE ARG 12 10.943 -3.639 -8.375 85 1HH1 ARG 12 2HH1 ARG 12 13.758 -5.561 -7.753 86 2HH1 ARG 12 1HH1 ARG 12 14.882 -4.273 -8.405 87 1HH2 ARG 12 1HH2 ARG 12 12.213 -2.210 -9.090 88 2HH2 ARG 12 2HH2 ARG 12 14.019 -2.460 -9.140 89 H ILE 13 H ILE 13 9.120 -7.254 -2.285 90 HA ILE 13 HA ILE 13 8.618 -10.181 -2.592 91 HB ILE 13 HB ILE 13 9.181 -8.417 -0.160 92 1HG1 ILE 13 1HG1 ILE 13 11.108 -9.153 -1.808 93 2HG1 ILE 13 2HG1 ILE 13 11.361 -9.291 -0.089 94 1HG2 ILE 13 1HG2 ILE 13 7.667 -10.267 0.658 95 2HG2 ILE 13 2HG2 ILE 13 8.715 -11.491 -0.098 96 3HG2 ILE 13 3HG2 ILE 13 9.292 -10.518 1.270 97 1HD1 ILE 13 1HD1 ILE 13 10.849 -11.755 -0.109 98 2HD1 ILE 13 2HD1 ILE 13 10.645 -11.692 -1.877 99 3HD1 ILE 13 3HD1 ILE 13 12.222 -11.323 -1.153 100 H PHE 14 H PHE 14 6.733 -7.416 -1.544 101 HA PHE 14 HA PHE 14 4.332 -8.854 -0.438 102 1HB PHE 14 1HB PHE 14 4.850 -5.997 -1.465 103 2HB PHE 14 2HB PHE 14 3.236 -6.533 -1.134 104 HD1 PHE 14 HD1 PHE 14 4.202 -8.350 1.361 105 HD2 PHE 14 HD2 PHE 14 4.707 -4.225 0.276 106 HE1 PHE 14 HE1 PHE 14 4.496 -7.757 3.734 107 HE2 PHE 14 HE2 PHE 14 5.023 -3.642 2.647 108 HZ PHE 14 HZ PHE 14 4.944 -5.403 4.378 109 H ASP 15 H ASP 15 5.215 -7.437 -3.602 110 HA ASP 15 HA ASP 15 2.735 -8.111 -4.954 111 1HB ASP 15 1HB ASP 15 4.259 -6.257 -5.609 112 2HB ASP 15 2HB ASP 15 5.508 -7.390 -6.101 113 H LYS 16 H LYS 16 1.991 -9.779 -6.082 114 HA LYS 16 HA LYS 16 3.422 -12.436 -5.881 115 1HB LYS 16 1HB LYS 16 0.677 -12.118 -7.182 116 2HB LYS 16 2HB LYS 16 1.361 -13.536 -6.438 117 1HG LYS 16 1HG LYS 16 0.919 -11.166 -4.579 118 2HG LYS 16 2HG LYS 16 -0.539 -11.796 -5.335 119 1HD LYS 16 1HD LYS 16 -0.052 -12.821 -3.062 120 2HD LYS 16 2HD LYS 16 -0.284 -13.972 -4.377 121 1HE LYS 16 1HE LYS 16 2.390 -13.932 -4.590 122 2HE LYS 16 2HE LYS 16 2.325 -13.402 -2.897 123 1HZ LYS 16 1HZ LYS 16 0.513 -15.698 -3.671 124 2HZ LYS 16 2HZ LYS 16 2.122 -16.019 -3.470 125 3HZ LYS 16 3HZ LYS 16 1.261 -15.389 -2.240 126 H ASN 17 H ASN 17 2.133 -10.201 -8.328 127 HA ASN 17 HA ASN 17 2.978 -12.014 -10.557 128 1HB ASN 17 1HB ASN 17 1.555 -9.469 -11.254 129 2HB ASN 17 2HB ASN 17 1.271 -11.100 -11.802 130 1HD2 ASN 17 1HD2 ASN 17 -1.202 -11.650 -9.244 131 2HD2 ASN 17 2HD2 ASN 17 -0.143 -12.466 -10.440 132 H ALA 18 H ALA 18 3.860 -8.685 -9.554 133 HA ALA 18 HA ALA 18 6.063 -7.698 -9.720 134 1HB ALA 18 1HB ALA 18 6.854 -10.061 -9.320 135 2HB ALA 18 2HB ALA 18 6.768 -10.380 -11.067 136 3HB ALA 18 3HB ALA 18 7.930 -9.193 -10.449 137 H ASP 19 H ASP 19 4.065 -7.156 -11.733 138 HA ASP 19 HA ASP 19 5.750 -6.195 -14.068 139 1HB ASP 19 1HB ASP 19 3.726 -5.076 -14.848 140 2HB ASP 19 2HB ASP 19 3.289 -6.706 -14.353 141 H GLY 20 H GLY 20 4.920 -5.159 -10.844 142 1HA GLY 20 1HA GLY 20 6.954 -3.417 -10.061 143 2HA GLY 20 2HA GLY 20 6.131 -2.417 -11.268 144 H TYR 21 H TYR 21 3.520 -3.911 -10.112 145 HA TYR 21 HA TYR 21 2.932 -1.337 -8.518 146 1HB TYR 21 1HB TYR 21 1.152 -2.747 -10.609 147 2HB TYR 21 2HB TYR 21 0.615 -1.449 -9.585 148 HD1 TYR 21 HD1 TYR 21 3.283 0.271 -9.783 149 HD2 TYR 21 HD2 TYR 21 0.833 -1.685 -12.728 150 HE1 TYR 21 HE1 TYR 21 4.003 1.903 -11.496 151 HE2 TYR 21 HE2 TYR 21 1.588 -0.061 -14.420 152 HH TYR 21 HH TYR 21 3.641 1.473 -14.723 153 H ILE 22 H ILE 22 1.146 -1.392 -7.052 154 HA ILE 22 HA ILE 22 0.195 -4.155 -6.102 155 HB ILE 22 HB ILE 22 0.306 -1.527 -4.528 156 1HG1 ILE 22 1HG1 ILE 22 1.765 -4.159 -3.835 157 2HG1 ILE 22 2HG1 ILE 22 2.514 -2.911 -4.793 158 1HG2 ILE 22 1HG2 ILE 22 -1.757 -2.840 -3.860 159 2HG2 ILE 22 2HG2 ILE 22 -0.766 -4.279 -3.555 160 3HG2 ILE 22 3HG2 ILE 22 -0.596 -2.822 -2.544 161 1HD1 ILE 22 1HD1 ILE 22 2.216 -1.214 -2.916 162 2HD1 ILE 22 2HD1 ILE 22 1.640 -2.538 -1.872 163 3HD1 ILE 22 3HD1 ILE 22 3.290 -2.581 -2.526 164 H ASP 23 H ASP 23 -1.924 -4.640 -6.060 165 HA ASP 23 HA ASP 23 -3.931 -2.647 -7.203 166 1HB ASP 23 1HB ASP 23 -5.326 -4.712 -7.675 167 2HB ASP 23 2HB ASP 23 -3.758 -4.718 -8.470 168 H ILE 24 H ILE 24 -6.125 -2.644 -6.375 169 HA ILE 24 HA ILE 24 -6.265 -1.866 -3.512 170 HB ILE 24 HB ILE 24 -7.854 -1.107 -5.421 171 1HG1 ILE 24 1HG1 ILE 24 -9.518 -0.336 -3.907 172 2HG1 ILE 24 2HG1 ILE 24 -9.551 -1.818 -2.991 173 1HG2 ILE 24 1HG2 ILE 24 -8.690 -3.379 -6.179 174 2HG2 ILE 24 2HG2 ILE 24 -9.421 -3.657 -4.586 175 3HG2 ILE 24 3HG2 ILE 24 -10.034 -2.375 -5.662 176 1HD1 ILE 24 1HD1 ILE 24 -7.270 -1.304 -1.982 177 2HD1 ILE 24 2HD1 ILE 24 -7.338 0.300 -2.751 178 3HD1 ILE 24 3HD1 ILE 24 -8.557 -0.151 -1.540 179 H GLU 25 H GLU 25 -6.618 -4.911 -5.172 180 HA GLU 25 HA GLU 25 -8.073 -6.303 -2.949 181 1HB GLU 25 1HB GLU 25 -6.898 -7.804 -5.292 182 2HB GLU 25 2HB GLU 25 -8.313 -8.169 -4.353 183 1HG GLU 25 1HG GLU 25 -9.719 -6.729 -5.628 184 2HG GLU 25 2HG GLU 25 -8.434 -5.602 -6.019 185 H GLU 26 H GLU 26 -4.743 -6.042 -3.961 186 HA GLU 26 HA GLU 26 -3.690 -8.186 -2.147 187 1HB GLU 26 1HB GLU 26 -2.317 -6.094 -3.873 188 2HB GLU 26 2HB GLU 26 -1.411 -7.063 -2.752 189 1HG GLU 26 1HG GLU 26 -2.064 -9.176 -3.985 190 2HG GLU 26 2HG GLU 26 -3.107 -8.265 -5.061 191 H LEU 27 H LEU 27 -4.515 -4.862 -1.752 192 HA LEU 27 HA LEU 27 -2.809 -3.861 0.402 193 1HB LEU 27 1HB LEU 27 -4.485 -2.511 -0.829 194 2HB LEU 27 2HB LEU 27 -5.802 -3.417 -0.129 195 HG LEU 27 HG LEU 27 -3.891 -1.929 1.747 196 1HD1 LEU 27 1HD1 LEU 27 -4.502 -0.275 -0.020 197 2HD1 LEU 27 2HD1 LEU 27 -6.241 -0.593 0.232 198 3HD1 LEU 27 3HD1 LEU 27 -5.244 0.134 1.525 199 1HD2 LEU 27 1HD2 LEU 27 -6.941 -2.513 1.924 200 2HD2 LEU 27 2HD2 LEU 27 -5.650 -3.391 2.798 201 3HD2 LEU 27 3HD2 LEU 27 -5.947 -1.685 3.154 202 H GLY 28 H GLY 28 -6.003 -5.399 0.888 203 1HA GLY 28 1HA GLY 28 -5.865 -5.571 3.745 204 2HA GLY 28 2HA GLY 28 -6.947 -6.578 2.776 205 H GLU 29 H GLU 29 -4.871 -8.106 1.448 206 HA GLU 29 HA GLU 29 -4.062 -10.053 3.560 207 1HB GLU 29 1HB GLU 29 -3.157 -11.422 1.733 208 2HB GLU 29 2HB GLU 29 -4.827 -10.992 1.524 209 1HG GLU 29 1HG GLU 29 -4.312 -9.455 -0.340 210 2HG GLU 29 2HG GLU 29 -2.595 -9.458 0.019 211 H ILE 30 H ILE 30 -2.430 -7.469 1.901 212 HA ILE 30 HA ILE 30 0.399 -8.019 2.647 213 HB ILE 30 HB ILE 30 -1.069 -5.380 2.145 214 1HG1 ILE 30 1HG1 ILE 30 -0.555 -5.571 -0.074 215 2HG1 ILE 30 2HG1 ILE 30 1.128 -5.859 0.274 216 1HG2 ILE 30 1HG2 ILE 30 0.871 -4.926 3.692 217 2HG2 ILE 30 2HG2 ILE 30 1.981 -5.765 2.579 218 3HG2 ILE 30 3HG2 ILE 30 1.183 -4.240 2.101 219 1HD1 ILE 30 1HD1 ILE 30 -0.942 -8.155 0.175 220 2HD1 ILE 30 2HD1 ILE 30 0.253 -7.721 -1.066 221 3HD1 ILE 30 3HD1 ILE 30 0.801 -8.310 0.515 222 H LEU 31 H LEU 31 -2.181 -6.145 4.258 223 HA LEU 31 HA LEU 31 -0.706 -5.577 6.807 224 1HB LEU 31 1HB LEU 31 -3.715 -5.769 6.771 225 2HB LEU 31 2HB LEU 31 -2.692 -4.645 7.636 226 HG LEU 31 HG LEU 31 -2.863 -4.405 4.593 227 1HD1 LEU 31 1HD1 LEU 31 -4.981 -3.384 6.601 228 2HD1 LEU 31 2HD1 LEU 31 -4.848 -2.882 4.895 229 3HD1 LEU 31 3HD1 LEU 31 -5.210 -4.567 5.283 230 1HD2 LEU 31 1HD2 LEU 31 -2.470 -2.352 6.886 231 2HD2 LEU 31 2HD2 LEU 31 -1.238 -2.891 5.710 232 3HD2 LEU 31 3HD2 LEU 31 -2.618 -1.935 5.158 233 H ARG 32 H ARG 32 -3.064 -8.087 5.865 234 HA ARG 32 HA ARG 32 -3.241 -9.121 8.640 235 1HB ARG 32 1HB ARG 32 -4.980 -8.744 6.682 236 2HB ARG 32 2HB ARG 32 -4.512 -10.351 6.128 237 1HG ARG 32 1HG ARG 32 -6.568 -10.403 7.565 238 2HG ARG 32 2HG ARG 32 -5.252 -11.333 8.303 239 1HD ARG 32 1HD ARG 32 -4.689 -9.451 9.852 240 2HD ARG 32 2HD ARG 32 -5.862 -8.383 9.050 241 HE ARG 32 HE ARG 32 -6.535 -10.409 11.086 242 1HH1 ARG 32 2HH1 ARG 32 -7.845 -9.082 8.155 243 2HH1 ARG 32 1HH1 ARG 32 -9.555 -9.506 8.639 244 1HH2 ARG 32 1HH2 ARG 32 -8.472 -10.881 11.592 245 2HH2 ARG 32 2HH2 ARG 32 -9.866 -10.505 10.479 246 H ALA 33 H ALA 33 -1.778 -10.378 5.654 247 HA ALA 33 HA ALA 33 -1.917 -13.157 6.252 248 1HB ALA 33 1HB ALA 33 -1.604 -12.177 3.984 249 2HB ALA 33 2HB ALA 33 0.068 -11.700 4.384 250 3HB ALA 33 3HB ALA 33 -0.378 -13.418 4.294 251 H THR 34 H THR 34 1.417 -11.754 6.040 252 HA THR 34 HA THR 34 2.305 -13.811 8.082 253 HB THR 34 HB THR 34 2.426 -15.103 6.001 254 HG1 THR 34 HG1 THR 34 4.153 -15.728 6.992 255 1HG2 THR 34 2HG2 THR 34 2.635 -13.086 4.404 256 2HG2 THR 34 3HG2 THR 34 4.341 -12.927 4.897 257 3HG2 THR 34 1HG2 THR 34 3.802 -14.386 4.048 258 H GLY 35 H GLY 35 2.562 -11.789 9.221 259 1HA GLY 35 1HA GLY 35 5.498 -11.441 9.399 260 2HA GLY 35 2HA GLY 35 4.747 -9.870 9.093 261 1HN NH2 36 1HN NH2 36 5.237 -8.843 11.048 262 2HN NH2 36 2HN NH2 36 4.513 -9.333 12.603 263 1H ACE 37 1HH3 ACE 37 -12.581 -2.477 14.660 264 2H ACE 37 2HH3 ACE 37 -14.038 -2.150 13.661 265 3H ACE 37 3HH3 ACE 37 -13.746 -3.783 14.313 266 H VAL 38 H VAL 38 -12.392 -1.358 12.102 267 HA VAL 38 HA VAL 38 -10.849 -1.512 10.228 268 HB VAL 38 HB VAL 38 -9.238 -1.604 11.941 269 1HG1 VAL 38 1HG1 VAL 38 -9.965 -4.578 12.469 270 2HG1 VAL 38 2HG1 VAL 38 -8.585 -3.739 13.215 271 3HG1 VAL 38 3HG1 VAL 38 -10.234 -3.212 13.566 272 1HG2 VAL 38 1HG2 VAL 38 -8.261 -2.437 9.757 273 2HG2 VAL 38 2HG2 VAL 38 -7.449 -3.200 11.140 274 3HG2 VAL 38 3HG2 VAL 38 -8.664 -4.109 10.208 275 H THR 39 H THR 39 -12.210 -2.379 8.612 276 HA THR 39 HA THR 39 -12.151 -5.366 8.120 277 HB THR 39 HB THR 39 -14.552 -5.670 7.891 278 HG1 THR 39 HG1 THR 39 -15.919 -3.976 8.773 279 1HG2 THR 39 2HG2 THR 39 -13.901 -4.257 10.573 280 2HG2 THR 39 3HG2 THR 39 -15.283 -5.343 10.291 281 3HG2 THR 39 1HG2 THR 39 -13.626 -5.976 10.207 282 H GLU 40 H GLU 40 -14.319 -5.009 6.076 283 HA GLU 40 HA GLU 40 -13.021 -3.795 3.751 284 1HB GLU 40 1HB GLU 40 -15.968 -4.374 4.265 285 2HB GLU 40 2HB GLU 40 -15.392 -3.735 2.756 286 1HG GLU 40 1HG GLU 40 -13.762 -5.964 2.857 287 2HG GLU 40 2HG GLU 40 -15.051 -6.553 3.890 288 H GLU 41 H GLU 41 -15.536 -2.337 5.826 289 HA GLU 41 HA GLU 41 -15.784 0.081 4.313 290 1HB GLU 41 1HB GLU 41 -16.614 -0.531 7.177 291 2HB GLU 41 2HB GLU 41 -16.984 0.992 6.428 292 1HG GLU 41 1HG GLU 41 -17.918 -1.700 5.209 293 2HG GLU 41 2HG GLU 41 -18.866 -0.824 6.396 294 H ASP 42 H ASP 42 -13.610 -0.481 7.013 295 HA ASP 42 HA ASP 42 -12.490 2.285 7.237 296 1HB ASP 42 1HB ASP 42 -11.679 -0.497 8.210 297 2HB ASP 42 2HB ASP 42 -10.484 0.792 8.249 298 H ILE 43 H ILE 43 -11.626 -0.596 5.327 299 HA ILE 43 HA ILE 43 -9.167 0.605 4.072 300 HB ILE 43 HB ILE 43 -10.753 -1.933 3.442 301 1HG1 ILE 43 1HG1 ILE 43 -9.426 -2.646 5.218 302 2HG1 ILE 43 2HG1 ILE 43 -8.306 -2.932 3.914 303 1HG2 ILE 43 1HG2 ILE 43 -9.847 -1.080 1.244 304 2HG2 ILE 43 2HG2 ILE 43 -8.222 -0.926 1.942 305 3HG2 ILE 43 3HG2 ILE 43 -8.973 -2.527 1.723 306 1HD1 ILE 43 1HD1 ILE 43 -7.127 -0.733 4.340 307 2HD1 ILE 43 2HD1 ILE 43 -8.155 -0.482 5.774 308 3HD1 ILE 43 3HD1 ILE 43 -7.052 -1.873 5.702 309 H GLU 44 H GLU 44 -12.598 0.512 3.393 310 HA GLU 44 HA GLU 44 -12.461 1.529 0.576 311 1HB GLU 44 1HB GLU 44 -14.615 0.755 2.471 312 2HB GLU 44 2HB GLU 44 -15.044 2.094 1.451 313 1HG GLU 44 1HG GLU 44 -13.911 0.093 -0.338 314 2HG GLU 44 2HG GLU 44 -14.944 -0.783 0.777 315 H ASP 45 H ASP 45 -12.793 2.984 3.764 316 HA ASP 45 HA ASP 45 -13.070 5.832 2.854 317 1HB ASP 45 1HB ASP 45 -12.522 4.447 5.533 318 2HB ASP 45 2HB ASP 45 -12.291 6.184 5.383 319 H LEU 46 H LEU 46 -10.389 3.683 3.671 320 HA LEU 46 HA LEU 46 -8.217 5.697 3.516 321 1HB LEU 46 1HB LEU 46 -8.082 3.518 4.714 322 2HB LEU 46 2HB LEU 46 -8.124 2.636 3.206 323 HG LEU 46 HG LEU 46 -5.857 4.651 3.573 324 1HD1 LEU 46 1HD1 LEU 46 -6.167 2.034 5.117 325 2HD1 LEU 46 2HD1 LEU 46 -4.561 2.628 4.670 326 3HD1 LEU 46 3HD1 LEU 46 -5.613 3.622 5.721 327 1HD2 LEU 46 1HD2 LEU 46 -6.328 2.116 1.951 328 2HD2 LEU 46 2HD2 LEU 46 -5.456 3.620 1.529 329 3HD2 LEU 46 3HD2 LEU 46 -4.676 2.421 2.563 330 H MET 47 H MET 47 -8.979 3.190 1.092 331 HA MET 47 HA MET 47 -7.280 4.591 -0.949 332 1HB MET 47 1HB MET 47 -7.873 1.900 -0.360 333 2HB MET 47 2HB MET 47 -8.761 2.169 -1.850 334 1HG MET 47 1HG MET 47 -5.865 3.128 -1.819 335 2HG MET 47 2HG MET 47 -6.183 1.386 -1.916 336 1HE MET 47 1HE MET 47 -4.746 1.718 -4.116 337 2HE MET 47 2HE MET 47 -5.945 0.393 -4.130 338 3HE MET 47 3HE MET 47 -5.747 1.421 -5.579 339 H LYS 48 H LYS 48 -10.524 5.066 -0.175 340 HA LYS 48 HA LYS 48 -10.984 6.263 -2.936 341 1HB LYS 48 1HB LYS 48 -12.809 5.943 -0.494 342 2HB LYS 48 2HB LYS 48 -13.348 6.692 -1.965 343 1HG LYS 48 1HG LYS 48 -12.972 4.450 -3.202 344 2HG LYS 48 2HG LYS 48 -12.314 3.768 -1.748 345 1HD LYS 48 1HD LYS 48 -14.313 3.385 -0.719 346 2HD LYS 48 2HD LYS 48 -15.076 4.852 -1.235 347 1HE LYS 48 1HE LYS 48 -15.066 3.517 -3.685 348 2HE LYS 48 2HE LYS 48 -14.934 2.123 -2.628 349 1HZ LYS 48 1HZ LYS 48 -17.014 3.906 -1.601 350 2HZ LYS 48 2HZ LYS 48 -17.315 3.481 -3.147 351 3HZ LYS 48 3HZ LYS 48 -17.172 2.326 -2.073 352 H ASP 49 H ASP 49 -10.275 7.166 0.365 353 HA ASP 49 HA ASP 49 -10.418 10.155 -0.059 354 1HB ASP 49 1HB ASP 49 -10.681 9.190 2.231 355 2HB ASP 49 2HB ASP 49 -9.059 8.513 2.174 356 H SER 50 H SER 50 -7.682 7.841 0.213 357 HA SER 50 HA SER 50 -5.615 9.876 -0.577 358 1HB SER 50 1HB SER 50 -5.494 6.825 -0.113 359 2HB SER 50 2HB SER 50 -4.087 7.765 -0.604 360 HG SER 50 HG SER 50 -5.579 8.746 1.560 361 H ASP 51 H ASP 51 -7.344 7.211 -2.186 362 HA ASP 51 HA ASP 51 -5.943 7.500 -4.763 363 1HB ASP 51 1HB ASP 51 -7.232 5.448 -3.633 364 2HB ASP 51 2HB ASP 51 -8.646 6.088 -4.460 365 H LYS 52 H LYS 52 -6.136 9.749 -5.341 366 HA LYS 52 HA LYS 52 -8.838 11.125 -5.259 367 1HB LYS 52 1HB LYS 52 -6.879 12.845 -6.402 368 2HB LYS 52 2HB LYS 52 -7.593 12.972 -4.824 369 1HG LYS 52 1HG LYS 52 -5.317 12.861 -4.180 370 2HG LYS 52 2HG LYS 52 -5.660 11.160 -4.162 371 1HD LYS 52 1HD LYS 52 -3.574 11.402 -5.328 372 2HD LYS 52 2HD LYS 52 -4.718 10.827 -6.495 373 1HE LYS 52 1HE LYS 52 -3.058 12.735 -7.249 374 2HE LYS 52 2HE LYS 52 -4.752 12.946 -7.690 375 1HZ LYS 52 1HZ LYS 52 -3.965 14.070 -5.032 376 2HZ LYS 52 2HZ LYS 52 -3.374 14.875 -6.262 377 3HZ LYS 52 3HZ LYS 52 -5.015 14.713 -6.103 378 H ASN 53 H ASN 53 -6.270 10.866 -7.745 379 HA ASN 53 HA ASN 53 -8.018 12.008 -9.780 380 1HB ASN 53 1HB ASN 53 -5.897 11.510 -11.305 381 2HB ASN 53 2HB ASN 53 -5.763 12.653 -9.998 382 1HD2 ASN 53 1HD2 ASN 53 -4.022 9.080 -9.053 383 2HD2 ASN 53 2HD2 ASN 53 -5.759 9.115 -9.598 384 H ASN 54 H ASN 54 -8.367 8.988 -8.808 385 HA ASN 54 HA ASN 54 -9.168 6.909 -9.696 386 1HB ASN 54 1HB ASN 54 -9.898 8.860 -11.966 387 2HB ASN 54 2HB ASN 54 -10.108 7.148 -12.209 388 1HD2 ASN 54 1HD2 ASN 54 -13.315 8.446 -10.901 389 2HD2 ASN 54 2HD2 ASN 54 -12.286 8.641 -12.390 390 H ASP 55 H ASP 55 -6.452 7.264 -9.694 391 HA ASP 55 HA ASP 55 -5.682 5.320 -11.935 392 1HB ASP 55 1HB ASP 55 -4.172 7.408 -11.036 393 2HB ASP 55 2HB ASP 55 -3.639 6.212 -9.863 394 H GLY 56 H GLY 56 -7.187 3.710 -11.057 395 1HA GLY 56 1HA GLY 56 -7.568 3.050 -8.209 396 2HA GLY 56 2HA GLY 56 -8.034 2.014 -9.564 397 H ARG 57 H ARG 57 -5.190 1.806 -10.546 398 HA ARG 57 HA ARG 57 -4.011 -0.015 -8.433 399 1HB ARG 57 1HB ARG 57 -3.480 0.423 -11.422 400 2HB ARG 57 2HB ARG 57 -2.409 -0.571 -10.435 401 1HG ARG 57 1HG ARG 57 -4.720 -1.802 -9.711 402 2HG ARG 57 2HG ARG 57 -5.359 -1.056 -11.174 403 1HD ARG 57 1HD ARG 57 -3.068 -2.142 -12.266 404 2HD ARG 57 2HD ARG 57 -3.219 -3.211 -10.873 405 HE ARG 57 HE ARG 57 -5.799 -2.786 -12.443 406 1HH1 ARG 57 2HH1 ARG 57 -3.260 -4.992 -11.608 407 2HH1 ARG 57 1HH1 ARG 57 -4.277 -6.436 -12.127 408 1HH2 ARG 57 1HH2 ARG 57 -6.835 -4.363 -13.074 409 2HH2 ARG 57 2HH2 ARG 57 -6.197 -6.079 -12.984 410 H ILE 58 H ILE 58 -2.097 0.169 -7.453 411 HA ILE 58 HA ILE 58 -1.042 3.015 -7.279 412 HB ILE 58 HB ILE 58 -1.283 0.797 -5.189 413 1HG1 ILE 58 1HG1 ILE 58 -2.601 3.590 -5.385 414 2HG1 ILE 58 2HG1 ILE 58 -3.398 2.063 -5.641 415 1HG2 ILE 58 1HG2 ILE 58 0.881 2.033 -4.731 416 2HG2 ILE 58 2HG2 ILE 58 0.018 3.585 -4.748 417 3HG2 ILE 58 3HG2 ILE 58 -0.306 2.381 -3.478 418 1HD1 ILE 58 1HD1 ILE 58 -3.007 1.366 -3.234 419 2HD1 ILE 58 2HD1 ILE 58 -2.309 2.974 -2.910 420 3HD1 ILE 58 3HD1 ILE 58 -4.007 2.829 -3.413 421 H ASP 59 H ASP 59 1.055 3.549 -7.296 422 HA ASP 59 HA ASP 59 3.118 1.411 -8.012 423 1HB ASP 59 1HB ASP 59 4.305 3.256 -9.230 424 2HB ASP 59 2HB ASP 59 2.665 3.006 -9.812 425 H PHE 60 H PHE 60 5.472 2.506 -7.634 426 HA PHE 60 HA PHE 60 6.013 1.986 -4.821 427 1HB PHE 60 1HB PHE 60 7.603 1.622 -6.780 428 2HB PHE 60 2HB PHE 60 7.886 3.329 -6.867 429 HD1 PHE 60 HD1 PHE 60 8.540 0.312 -4.815 430 HD2 PHE 60 HD2 PHE 60 9.356 4.507 -5.246 431 HE1 PHE 60 HE1 PHE 60 10.382 0.119 -3.204 432 HE2 PHE 60 HE2 PHE 60 11.242 4.294 -3.667 433 HZ PHE 60 HZ PHE 60 11.791 2.086 -2.684 434 H ASP 61 H ASP 61 5.923 5.114 -6.521 435 HA ASP 61 HA ASP 61 6.450 7.002 -4.362 436 1HB ASP 61 1HB ASP 61 4.222 7.462 -6.509 437 2HB ASP 61 2HB ASP 61 5.503 8.496 -5.920 438 H GLU 62 H GLU 62 3.213 6.235 -5.508 439 HA GLU 62 HA GLU 62 1.582 7.042 -3.264 440 1HB GLU 62 1HB GLU 62 1.196 4.931 -5.396 441 2HB GLU 62 2HB GLU 62 0.051 5.020 -4.093 442 1HG GLU 62 1HG GLU 62 -0.685 7.287 -4.753 443 2HG GLU 62 2HG GLU 62 0.684 7.511 -5.826 444 H PHE 63 H PHE 63 3.648 4.162 -3.369 445 HA PHE 63 HA PHE 63 2.487 2.713 -1.015 446 1HB PHE 63 1HB PHE 63 4.065 1.747 -2.812 447 2HB PHE 63 2HB PHE 63 5.362 2.655 -2.109 448 HD1 PHE 63 HD1 PHE 63 2.980 1.118 0.340 449 HD2 PHE 63 HD2 PHE 63 6.533 0.408 -1.981 450 HE1 PHE 63 HE1 PHE 63 3.767 -0.520 2.012 451 HE2 PHE 63 HE2 PHE 63 7.282 -1.231 -0.326 452 HZ PHE 63 HZ PHE 63 5.970 -1.610 1.734 453 H LEU 64 H LEU 64 5.357 4.821 -1.355 454 HA LEU 64 HA LEU 64 5.992 5.212 1.413 455 1HB LEU 64 1HB LEU 64 6.376 7.088 -0.973 456 2HB LEU 64 2HB LEU 64 7.011 7.483 0.607 457 HG LEU 64 HG LEU 64 7.765 4.801 -0.653 458 1HD1 LEU 64 1HD1 LEU 64 8.996 7.542 -1.399 459 2HD1 LEU 64 2HD1 LEU 64 9.736 5.960 -1.763 460 3HD1 LEU 64 3HD1 LEU 64 8.172 6.375 -2.469 461 1HD2 LEU 64 1HD2 LEU 64 9.265 6.758 1.240 462 2HD2 LEU 64 2HD2 LEU 64 8.583 5.162 1.669 463 3HD2 LEU 64 3HD2 LEU 64 9.960 5.263 0.564 464 H LYS 65 H LYS 65 3.574 7.069 -0.439 465 HA LYS 65 HA LYS 65 2.668 8.705 1.879 466 1HB LYS 65 1HB LYS 65 1.404 9.712 0.265 467 2HB LYS 65 2HB LYS 65 2.585 8.958 -0.788 468 1HG LYS 65 1HG LYS 65 0.504 8.574 -1.890 469 2HG LYS 65 2HG LYS 65 0.756 7.033 -1.048 470 1HD LYS 65 1HD LYS 65 -1.579 8.057 -0.771 471 2HD LYS 65 2HD LYS 65 -0.798 7.541 0.727 472 1HE LYS 65 1HE LYS 65 -0.518 9.850 1.452 473 2HE LYS 65 2HE LYS 65 -0.575 10.466 -0.209 474 1HZ LYS 65 1HZ LYS 65 -3.050 9.450 -0.186 475 2HZ LYS 65 2HZ LYS 65 -2.941 9.585 1.454 476 3HZ LYS 65 3HZ LYS 65 -2.795 10.888 0.486 477 H MET 66 H MET 66 1.325 5.727 0.351 478 HA MET 66 HA MET 66 -0.756 5.095 2.150 479 1HB MET 66 1HB MET 66 -0.646 3.657 0.323 480 2HB MET 66 2HB MET 66 1.094 3.482 0.404 481 1HG MET 66 1HG MET 66 1.051 1.633 1.803 482 2HG MET 66 2HG MET 66 -0.364 2.186 2.719 483 1HE MET 66 1HE MET 66 1.057 0.120 -0.166 484 2HE MET 66 2HE MET 66 -0.290 -0.044 -1.331 485 3HE MET 66 3HE MET 66 0.514 1.540 -1.112 486 H MET 67 H MET 67 2.213 3.116 2.587 487 HA MET 67 HA MET 67 2.212 2.574 5.325 488 1HB MET 67 1HB MET 67 4.099 2.078 3.550 489 2HB MET 67 2HB MET 67 4.784 3.624 4.011 490 1HG MET 67 1HG MET 67 6.008 2.221 5.428 491 2HG MET 67 2HG MET 67 4.691 2.675 6.526 492 1HE MET 67 1HE MET 67 6.875 0.416 5.748 493 2HE MET 67 2HE MET 67 6.198 -1.110 6.405 494 3HE MET 67 3HE MET 67 6.219 -0.824 4.637 495 H GLU 68 H GLU 68 3.620 5.706 4.095 496 HA GLU 68 HA GLU 68 3.490 6.812 6.883 497 1HB GLU 68 1HB GLU 68 6.092 5.910 5.664 498 2HB GLU 68 2HB GLU 68 6.122 7.379 6.593 499 1HG GLU 68 1HG GLU 68 5.013 5.957 8.559 500 2HG GLU 68 2HG GLU 68 5.428 4.543 7.609 501 H GLY 69 H GLY 69 2.067 7.792 4.890 502 1HA GLY 69 1HA GLY 69 3.082 10.657 5.151 503 2HA GLY 69 2HA GLY 69 2.310 10.240 3.617 504 H VAL 70 H VAL 70 1.163 8.919 6.665 505 HA VAL 70 HA VAL 70 -1.520 10.251 6.254 506 HB VAL 70 HB VAL 70 -1.060 7.693 6.683 507 1HG1 VAL 70 1HG1 VAL 70 -1.205 8.697 9.617 508 2HG1 VAL 70 2HG1 VAL 70 -1.382 6.998 9.108 509 3HG1 VAL 70 3HG1 VAL 70 0.157 7.828 8.868 510 1HG2 VAL 70 1HG2 VAL 70 -3.377 8.677 6.457 511 2HG2 VAL 70 2HG2 VAL 70 -3.351 7.397 7.660 512 3HG2 VAL 70 3HG2 VAL 70 -3.391 9.108 8.181 513 H GLN 71 H GLN 71 -1.736 12.223 7.130 514 HA GLN 71 HA GLN 71 -0.685 13.014 9.791 515 1HB GLN 71 1HB GLN 71 -2.279 14.285 7.585 516 2HB GLN 71 2HB GLN 71 -2.538 14.964 9.190 517 1HG GLN 71 1HG GLN 71 0.346 14.484 8.272 518 2HG GLN 71 2HG GLN 71 -0.513 15.816 7.520 519 1HE2 GLN 71 1HE2 GLN 71 0.983 17.605 10.220 520 2HE2 GLN 71 2HE2 GLN 71 1.161 17.076 8.458 521 1HN NH2 72 1HN NH2 72 -1.491 12.482 11.801 522 2HN NH2 72 2HN NH2 72 -3.173 11.998 12.143 No H/Q in entry = 522 Start of MODEL 41 1 1H ACE 1 1HH3 ACE 1 23.804 8.658 -2.807 2 2H ACE 1 2HH3 ACE 1 23.257 9.276 -1.208 3 3H ACE 1 3HH3 ACE 1 23.820 7.590 -1.386 4 H LYS 2 H LYS 2 21.497 9.483 -3.398 5 HA LYS 2 HA LYS 2 19.055 9.527 -3.184 6 1HB LYS 2 1HB LYS 2 19.219 6.566 -3.749 7 2HB LYS 2 2HB LYS 2 18.210 7.766 -4.528 8 1HG LYS 2 1HG LYS 2 21.268 7.928 -4.963 9 2HG LYS 2 2HG LYS 2 20.439 6.568 -5.676 10 1HD LYS 2 1HD LYS 2 20.499 8.242 -7.407 11 2HD LYS 2 2HD LYS 2 18.826 8.265 -6.845 12 1HE LYS 2 1HE LYS 2 18.954 10.403 -6.052 13 2HE LYS 2 2HE LYS 2 20.488 10.143 -5.203 14 1HZ LYS 2 1HZ LYS 2 21.380 10.173 -7.833 15 2HZ LYS 2 2HZ LYS 2 20.019 11.028 -8.020 16 3HZ LYS 2 3HZ LYS 2 21.102 11.615 -7.054 17 H SER 3 H SER 3 17.444 7.123 -2.537 18 HA SER 3 HA SER 3 17.627 6.702 0.361 19 1HB SER 3 1HB SER 3 17.227 9.280 0.041 20 2HB SER 3 2HB SER 3 15.560 8.874 -0.290 21 HG SER 3 HG SER 3 17.081 8.196 2.048 22 H GLU 4 H GLU 4 17.012 4.929 -1.707 23 HA GLU 4 HA GLU 4 14.003 4.554 -1.653 24 1HB GLU 4 1HB GLU 4 15.504 5.073 -4.213 25 2HB GLU 4 2HB GLU 4 14.147 3.973 -4.172 26 1HG GLU 4 1HG GLU 4 12.842 5.827 -4.647 27 2HG GLU 4 2HG GLU 4 13.036 6.292 -2.961 28 H GLU 5 H GLU 5 17.139 3.141 -2.300 29 HA GLU 5 HA GLU 5 16.692 0.630 -3.232 30 1HB GLU 5 1HB GLU 5 18.901 1.266 -2.842 31 2HB GLU 5 2HB GLU 5 18.682 1.514 -1.136 32 1HG GLU 5 1HG GLU 5 19.754 -0.519 -0.876 33 2HG GLU 5 2HG GLU 5 18.236 -1.276 -1.323 34 H GLU 6 H GLU 6 16.391 1.114 0.301 35 HA GLU 6 HA GLU 6 15.555 -1.678 0.713 36 1HB GLU 6 1HB GLU 6 16.952 -0.915 2.362 37 2HB GLU 6 2HB GLU 6 16.208 0.649 2.496 38 1HG GLU 6 1HG GLU 6 14.368 -0.240 3.907 39 2HG GLU 6 2HG GLU 6 14.801 -1.903 3.557 40 H LEU 7 H LEU 7 13.699 1.180 0.255 41 HA LEU 7 HA LEU 7 11.059 -0.034 1.197 42 1HB LEU 7 1HB LEU 7 11.722 2.673 -0.084 43 2HB LEU 7 2HB LEU 7 10.095 2.162 0.289 44 HG LEU 7 HG LEU 7 12.135 3.344 2.063 45 1HD1 LEU 7 1HD1 LEU 7 9.882 4.315 1.653 46 2HD1 LEU 7 2HD1 LEU 7 9.089 2.886 2.366 47 3HD1 LEU 7 3HD1 LEU 7 10.093 3.960 3.374 48 1HD2 LEU 7 1HD2 LEU 7 10.655 0.829 3.138 49 2HD2 LEU 7 2HD2 LEU 7 12.421 1.058 3.016 50 3HD2 LEU 7 3HD2 LEU 7 11.488 2.040 4.148 51 H ALA 8 H ALA 8 12.774 0.600 -1.875 52 HA ALA 8 HA ALA 8 10.770 -0.678 -3.576 53 1HB ALA 8 1HB ALA 8 13.821 -0.304 -3.935 54 2HB ALA 8 2HB ALA 8 12.688 -0.754 -5.225 55 3HB ALA 8 3HB ALA 8 12.538 0.822 -4.438 56 H ASN 9 H ASN 9 13.836 -2.137 -2.403 57 HA ASN 9 HA ASN 9 13.447 -4.962 -2.816 58 1HB ASN 9 1HB ASN 9 14.541 -3.487 -0.321 59 2HB ASN 9 2HB ASN 9 14.649 -5.213 -0.537 60 1HD2 ASN 9 1HD2 ASN 9 17.857 -4.318 -1.840 61 2HD2 ASN 9 2HD2 ASN 9 16.949 -4.870 -0.362 62 H ALA 10 H ALA 10 12.163 -3.179 0.040 63 HA ALA 10 HA ALA 10 10.282 -5.160 0.968 64 1HB ALA 10 1HB ALA 10 11.054 -3.142 2.227 65 2HB ALA 10 2HB ALA 10 10.094 -2.075 1.170 66 3HB ALA 10 3HB ALA 10 9.283 -3.249 2.230 67 H PHE 11 H PHE 11 9.711 -2.628 -1.466 68 HA PHE 11 HA PHE 11 6.831 -3.050 -1.789 69 1HB PHE 11 1HB PHE 11 8.069 -0.945 -2.340 70 2HB PHE 11 2HB PHE 11 8.868 -1.730 -3.661 71 HD1 PHE 11 HD1 PHE 11 7.454 -2.492 -5.748 72 HD2 PHE 11 HD2 PHE 11 5.839 0.012 -2.644 73 HE1 PHE 11 HE1 PHE 11 5.679 -1.722 -7.274 74 HE2 PHE 11 HE2 PHE 11 4.082 0.776 -4.187 75 HZ PHE 11 HZ PHE 11 3.996 -0.082 -6.495 76 H ARG 12 H ARG 12 9.551 -4.443 -3.617 77 HA ARG 12 HA ARG 12 7.711 -6.213 -5.175 78 1HB ARG 12 1HB ARG 12 9.894 -7.141 -6.140 79 2HB ARG 12 2HB ARG 12 9.558 -5.440 -6.439 80 1HG ARG 12 1HG ARG 12 11.512 -4.797 -5.423 81 2HG ARG 12 2HG ARG 12 11.113 -5.666 -3.936 82 1HD ARG 12 1HD ARG 12 13.251 -6.529 -4.880 83 2HD ARG 12 2HD ARG 12 12.011 -7.813 -4.899 84 HE ARG 12 HE ARG 12 11.564 -6.937 -7.414 85 1HH1 ARG 12 2HH1 ARG 12 14.698 -6.933 -5.935 86 2HH1 ARG 12 1HH1 ARG 12 15.550 -7.023 -7.552 87 1HH2 ARG 12 1HH2 ARG 12 12.532 -7.062 -9.207 88 2HH2 ARG 12 2HH2 ARG 12 14.352 -7.088 -9.322 89 H ILE 13 H ILE 13 9.252 -6.519 -2.110 90 HA ILE 13 HA ILE 13 8.958 -9.477 -1.883 91 HB ILE 13 HB ILE 13 9.370 -7.254 0.167 92 1HG1 ILE 13 1HG1 ILE 13 11.364 -8.225 -1.254 93 2HG1 ILE 13 2HG1 ILE 13 11.575 -8.027 0.464 94 1HG2 ILE 13 1HG2 ILE 13 7.901 -8.952 1.325 95 2HG2 ILE 13 2HG2 ILE 13 9.006 -10.265 0.855 96 3HG2 ILE 13 3HG2 ILE 13 9.519 -9.011 2.001 97 1HD1 ILE 13 1HD1 ILE 13 11.141 -10.467 0.901 98 2HD1 ILE 13 2HD1 ILE 13 10.981 -10.746 -0.851 99 3HD1 ILE 13 3HD1 ILE 13 12.527 -10.191 -0.178 100 H PHE 14 H PHE 14 6.861 -6.713 -1.390 101 HA PHE 14 HA PHE 14 4.472 -8.084 -0.234 102 1HB PHE 14 1HB PHE 14 4.776 -5.520 -1.931 103 2HB PHE 14 2HB PHE 14 3.242 -6.084 -1.357 104 HD1 PHE 14 HD1 PHE 14 6.339 -6.324 0.737 105 HD2 PHE 14 HD2 PHE 14 2.693 -4.169 0.023 106 HE1 PHE 14 HE1 PHE 14 6.565 -5.209 2.922 107 HE2 PHE 14 HE2 PHE 14 2.936 -3.041 2.198 108 HZ PHE 14 HZ PHE 14 4.875 -3.541 3.644 109 H ASP 15 H ASP 15 4.827 -6.817 -3.561 110 HA ASP 15 HA ASP 15 2.508 -8.140 -4.557 111 1HB ASP 15 1HB ASP 15 3.461 -6.102 -5.551 112 2HB ASP 15 2HB ASP 15 4.911 -6.946 -6.074 113 H LYS 16 H LYS 16 1.988 -10.110 -5.363 114 HA LYS 16 HA LYS 16 3.747 -12.353 -4.550 115 1HB LYS 16 1HB LYS 16 1.555 -13.179 -6.354 116 2HB LYS 16 2HB LYS 16 1.907 -13.693 -4.728 117 1HG LYS 16 1HG LYS 16 0.748 -11.400 -3.989 118 2HG LYS 16 2HG LYS 16 0.240 -11.269 -5.668 119 1HD LYS 16 1HD LYS 16 -0.388 -13.959 -4.528 120 2HD LYS 16 2HD LYS 16 -1.079 -12.646 -3.578 121 1HE LYS 16 1HE LYS 16 -2.778 -13.356 -5.172 122 2HE LYS 16 2HE LYS 16 -2.287 -11.696 -5.568 123 1HZ LYS 16 1HZ LYS 16 -0.774 -13.994 -6.793 124 2HZ LYS 16 2HZ LYS 16 -2.199 -13.585 -7.504 125 3HZ LYS 16 3HZ LYS 16 -0.952 -12.504 -7.424 126 H ASN 17 H ASN 17 2.990 -10.721 -7.570 127 HA ASN 17 HA ASN 17 4.525 -12.752 -9.193 128 1HB ASN 17 1HB ASN 17 2.077 -11.936 -9.625 129 2HB ASN 17 2HB ASN 17 2.778 -10.500 -10.321 130 1HD2 ASN 17 1HD2 ASN 17 3.764 -13.639 -12.635 131 2HD2 ASN 17 2HD2 ASN 17 4.623 -13.310 -11.094 132 H ALA 18 H ALA 18 4.833 -9.370 -8.325 133 HA ALA 18 HA ALA 18 6.362 -7.613 -8.931 134 1HB ALA 18 1HB ALA 18 8.008 -9.447 -8.391 135 2HB ALA 18 2HB ALA 18 7.951 -9.989 -10.083 136 3HB ALA 18 3HB ALA 18 8.610 -8.390 -9.698 137 H ASP 19 H ASP 19 4.197 -8.014 -10.755 138 HA ASP 19 HA ASP 19 5.237 -6.888 -13.363 139 1HB ASP 19 1HB ASP 19 2.378 -6.452 -12.391 140 2HB ASP 19 2HB ASP 19 2.972 -6.713 -14.025 141 H GLY 20 H GLY 20 5.593 -5.783 -10.342 142 1HA GLY 20 1HA GLY 20 6.922 -3.752 -10.004 143 2HA GLY 20 2HA GLY 20 6.215 -3.067 -11.472 144 H TYR 21 H TYR 21 3.505 -3.884 -10.016 145 HA TYR 21 HA TYR 21 3.218 -1.232 -8.475 146 1HB TYR 21 1HB TYR 21 0.960 -2.658 -10.004 147 2HB TYR 21 2HB TYR 21 0.932 -1.061 -9.315 148 HD1 TYR 21 HD1 TYR 21 4.014 -0.661 -10.487 149 HD2 TYR 21 HD2 TYR 21 0.099 -1.385 -12.115 150 HE1 TYR 21 HE1 TYR 21 4.714 0.325 -12.635 151 HE2 TYR 21 HE2 TYR 21 0.840 -0.418 -14.269 152 HH TYR 21 HH TYR 21 3.332 1.483 -14.666 153 H ILE 22 H ILE 22 1.438 -1.139 -6.903 154 HA ILE 22 HA ILE 22 0.526 -3.818 -5.708 155 HB ILE 22 HB ILE 22 0.589 -1.057 -4.378 156 1HG1 ILE 22 1HG1 ILE 22 2.332 -1.793 -2.927 157 2HG1 ILE 22 2HG1 ILE 22 2.017 -3.485 -3.204 158 1HG2 ILE 22 1HG2 ILE 22 -1.446 -2.350 -3.593 159 2HG2 ILE 22 2HG2 ILE 22 -0.423 -3.734 -3.160 160 3HG2 ILE 22 3HG2 ILE 22 -0.287 -2.188 -2.284 161 1HD1 ILE 22 1HD1 ILE 22 2.948 -3.327 -5.570 162 2HD1 ILE 22 2HD1 ILE 22 3.453 -1.656 -5.212 163 3HD1 ILE 22 3HD1 ILE 22 4.131 -3.006 -4.278 164 H ASP 23 H ASP 23 -1.646 -4.204 -5.390 165 HA ASP 23 HA ASP 23 -3.632 -2.364 -6.822 166 1HB ASP 23 1HB ASP 23 -4.641 -4.351 -7.819 167 2HB ASP 23 2HB ASP 23 -2.905 -4.427 -8.089 168 H ILE 24 H ILE 24 -5.990 -2.999 -6.325 169 HA ILE 24 HA ILE 24 -6.402 -2.219 -3.445 170 HB ILE 24 HB ILE 24 -7.762 -1.441 -5.613 171 1HG1 ILE 24 1HG1 ILE 24 -9.197 -1.860 -2.902 172 2HG1 ILE 24 2HG1 ILE 24 -8.104 -0.549 -3.253 173 1HG2 ILE 24 1HG2 ILE 24 -8.719 -3.712 -6.217 174 2HG2 ILE 24 2HG2 ILE 24 -9.524 -3.807 -4.639 175 3HG2 ILE 24 3HG2 ILE 24 -10.011 -2.585 -5.841 176 1HD1 ILE 24 1HD1 ILE 24 -9.619 0.283 -5.123 177 2HD1 ILE 24 2HD1 ILE 24 -10.829 -0.924 -4.622 178 3HD1 ILE 24 3HD1 ILE 24 -10.339 0.357 -3.493 179 H GLU 25 H GLU 25 -6.585 -5.134 -5.348 180 HA GLU 25 HA GLU 25 -8.164 -6.720 -3.348 181 1HB GLU 25 1HB GLU 25 -6.723 -7.700 -5.854 182 2HB GLU 25 2HB GLU 25 -7.783 -8.660 -4.868 183 1HG GLU 25 1HG GLU 25 -9.577 -6.653 -5.496 184 2HG GLU 25 2HG GLU 25 -8.504 -6.466 -6.871 185 H GLU 26 H GLU 26 -4.763 -6.306 -4.091 186 HA GLU 26 HA GLU 26 -3.806 -8.335 -2.104 187 1HB GLU 26 1HB GLU 26 -2.369 -6.294 -3.834 188 2HB GLU 26 2HB GLU 26 -1.515 -7.144 -2.582 189 1HG GLU 26 1HG GLU 26 -2.099 -9.378 -3.724 190 2HG GLU 26 2HG GLU 26 -2.923 -8.497 -4.997 191 H LEU 27 H LEU 27 -4.598 -4.950 -1.964 192 HA LEU 27 HA LEU 27 -2.872 -3.924 0.090 193 1HB LEU 27 1HB LEU 27 -4.314 -2.524 -1.313 194 2HB LEU 27 2HB LEU 27 -5.767 -3.174 -0.598 195 HG LEU 27 HG LEU 27 -5.630 -1.878 1.348 196 1HD1 LEU 27 1HD1 LEU 27 -3.420 -2.760 2.104 197 2HD1 LEU 27 2HD1 LEU 27 -2.559 -1.639 1.013 198 3HD1 LEU 27 3HD1 LEU 27 -3.543 -1.023 2.371 199 1HD2 LEU 27 1HD2 LEU 27 -3.990 -0.135 -0.639 200 2HD2 LEU 27 2HD2 LEU 27 -5.774 -0.253 -0.567 201 3HD2 LEU 27 3HD2 LEU 27 -4.887 0.446 0.792 202 H GLY 28 H GLY 28 -6.101 -5.356 0.653 203 1HA GLY 28 1HA GLY 28 -6.296 -5.234 3.579 204 2HA GLY 28 2HA GLY 28 -7.037 -6.482 2.570 205 H GLU 29 H GLU 29 -5.033 -7.936 1.573 206 HA GLU 29 HA GLU 29 -3.967 -9.423 3.884 207 1HB GLU 29 1HB GLU 29 -2.968 -10.160 1.164 208 2HB GLU 29 2HB GLU 29 -3.524 -11.169 2.465 209 1HG GLU 29 1HG GLU 29 -5.275 -9.649 0.419 210 2HG GLU 29 2HG GLU 29 -5.117 -11.387 0.597 211 H ILE 30 H ILE 30 -2.595 -6.889 2.061 212 HA ILE 30 HA ILE 30 0.307 -7.279 2.734 213 HB ILE 30 HB ILE 30 -1.282 -4.781 1.955 214 1HG1 ILE 30 1HG1 ILE 30 0.699 -6.553 0.402 215 2HG1 ILE 30 2HG1 ILE 30 -0.939 -6.137 -0.025 216 1HG2 ILE 30 1HG2 ILE 30 0.602 -4.060 3.469 217 2HG2 ILE 30 2HG2 ILE 30 1.775 -4.950 2.464 218 3HG2 ILE 30 3HG2 ILE 30 0.904 -3.531 1.817 219 1HD1 ILE 30 1HD1 ILE 30 1.356 -4.065 -0.111 220 2HD1 ILE 30 2HD1 ILE 30 0.611 -4.912 -1.484 221 3HD1 ILE 30 3HD1 ILE 30 -0.354 -3.774 -0.523 222 H LEU 31 H LEU 31 -2.247 -5.179 4.190 223 HA LEU 31 HA LEU 31 -1.129 -4.775 6.800 224 1HB LEU 31 1HB LEU 31 -4.058 -5.487 6.731 225 2HB LEU 31 2HB LEU 31 -3.250 -4.188 7.574 226 HG LEU 31 HG LEU 31 -4.284 -4.255 4.724 227 1HD1 LEU 31 1HD1 LEU 31 -4.342 -2.161 7.001 228 2HD1 LEU 31 2HD1 LEU 31 -5.085 -1.958 5.392 229 3HD1 LEU 31 3HD1 LEU 31 -5.669 -3.231 6.469 230 1HD2 LEU 31 1HD2 LEU 31 -1.980 -2.393 5.651 231 2HD2 LEU 31 2HD2 LEU 31 -1.933 -3.561 4.302 232 3HD2 LEU 31 3HD2 LEU 31 -2.972 -2.136 4.192 233 H ARG 32 H ARG 32 -2.897 -7.667 5.737 234 HA ARG 32 HA ARG 32 -1.985 -9.159 8.269 235 1HB ARG 32 1HB ARG 32 -4.196 -9.957 8.470 236 2HB ARG 32 2HB ARG 32 -4.402 -8.279 7.971 237 1HG ARG 32 1HG ARG 32 -4.654 -9.246 5.517 238 2HG ARG 32 2HG ARG 32 -4.708 -10.845 6.282 239 1HD ARG 32 1HD ARG 32 -6.648 -8.508 6.930 240 2HD ARG 32 2HD ARG 32 -7.039 -9.887 5.879 241 HE ARG 32 HE ARG 32 -6.731 -9.992 8.890 242 1HH1 ARG 32 2HH1 ARG 32 -7.030 -11.886 5.993 243 2HH1 ARG 32 1HH1 ARG 32 -7.466 -13.391 6.933 244 1HH2 ARG 32 1HH2 ARG 32 -7.257 -11.699 9.912 245 2HH2 ARG 32 2HH2 ARG 32 -7.623 -13.257 9.039 246 H ALA 33 H ALA 33 -0.583 -9.146 5.608 247 HA ALA 33 HA ALA 33 -0.443 -11.493 4.191 248 1HB ALA 33 1HB ALA 33 1.277 -9.694 4.128 249 2HB ALA 33 2HB ALA 33 1.945 -10.231 5.694 250 3HB ALA 33 3HB ALA 33 2.051 -11.282 4.265 251 H THR 34 H THR 34 -0.321 -13.604 4.407 252 HA THR 34 HA THR 34 -0.332 -14.849 7.135 253 HB THR 34 HB THR 34 -0.864 -17.000 5.672 254 HG1 THR 34 HG1 THR 34 -1.964 -15.156 3.912 255 1HG2 THR 34 2HG2 THR 34 -2.512 -15.641 7.118 256 2HG2 THR 34 3HG2 THR 34 -2.859 -14.625 5.695 257 3HG2 THR 34 1HG2 THR 34 -3.272 -16.349 5.669 258 H GLY 35 H GLY 35 0.842 -17.044 7.427 259 1HA GLY 35 1HA GLY 35 2.965 -17.926 5.471 260 2HA GLY 35 2HA GLY 35 3.629 -17.207 6.942 261 1HN NH2 36 1HN NH2 36 0.660 -19.309 6.874 262 2HN NH2 36 2HN NH2 36 1.372 -20.611 7.864 263 1H ACE 37 1HH3 ACE 37 -16.668 -4.089 13.333 264 2H ACE 37 2HH3 ACE 37 -15.489 -5.057 14.282 265 3H ACE 37 3HH3 ACE 37 -15.777 -3.345 14.688 266 H VAL 38 H VAL 38 -14.371 -5.488 12.231 267 HA VAL 38 HA VAL 38 -13.067 -3.087 10.813 268 HB VAL 38 HB VAL 38 -11.533 -5.654 10.804 269 1HG1 VAL 38 1HG1 VAL 38 -10.748 -2.693 11.319 270 2HG1 VAL 38 2HG1 VAL 38 -9.586 -4.038 11.257 271 3HG1 VAL 38 3HG1 VAL 38 -10.512 -3.604 9.816 272 1HG2 VAL 38 1HG2 VAL 38 -12.269 -5.673 13.228 273 2HG2 VAL 38 2HG2 VAL 38 -10.538 -5.296 13.100 274 3HG2 VAL 38 3HG2 VAL 38 -11.712 -3.995 13.416 275 H THR 39 H THR 39 -14.351 -2.986 8.979 276 HA THR 39 HA THR 39 -15.316 -5.600 7.691 277 HB THR 39 HB THR 39 -16.774 -3.018 7.085 278 HG1 THR 39 HG1 THR 39 -17.605 -2.832 8.950 279 1HG2 THR 39 2HG2 THR 39 -17.673 -5.945 7.576 280 2HG2 THR 39 3HG2 THR 39 -18.739 -4.612 7.068 281 3HG2 THR 39 1HG2 THR 39 -17.447 -5.176 5.988 282 H GLU 40 H GLU 40 -15.937 -5.003 5.260 283 HA GLU 40 HA GLU 40 -13.459 -4.247 3.775 284 1HB GLU 40 1HB GLU 40 -15.406 -5.970 3.184 285 2HB GLU 40 2HB GLU 40 -16.131 -4.603 2.394 286 1HG GLU 40 1HG GLU 40 -14.951 -5.594 0.595 287 2HG GLU 40 2HG GLU 40 -13.775 -4.391 1.091 288 H GLU 41 H GLU 41 -16.580 -2.649 4.312 289 HA GLU 41 HA GLU 41 -16.222 -0.528 2.413 290 1HB GLU 41 1HB GLU 41 -18.100 -0.850 4.769 291 2HB GLU 41 2HB GLU 41 -18.104 0.639 3.873 292 1HG GLU 41 1HG GLU 41 -18.403 -1.147 1.749 293 2HG GLU 41 2HG GLU 41 -19.126 -2.101 3.031 294 H ASP 42 H ASP 42 -15.090 -0.597 5.709 295 HA ASP 42 HA ASP 42 -14.099 2.217 5.894 296 1HB ASP 42 1HB ASP 42 -13.408 -0.388 7.379 297 2HB ASP 42 2HB ASP 42 -12.554 1.114 7.702 298 H ILE 43 H ILE 43 -12.742 -0.801 4.601 299 HA ILE 43 HA ILE 43 -9.933 0.174 4.281 300 HB ILE 43 HB ILE 43 -11.413 -2.242 3.152 301 1HG1 ILE 43 1HG1 ILE 43 -8.789 -2.507 4.671 302 2HG1 ILE 43 2HG1 ILE 43 -10.164 -1.984 5.605 303 1HG2 ILE 43 1HG2 ILE 43 -9.837 -1.527 1.313 304 2HG2 ILE 43 2HG2 ILE 43 -8.484 -1.464 2.459 305 3HG2 ILE 43 3HG2 ILE 43 -9.256 -3.015 2.046 306 1HD1 ILE 43 1HD1 ILE 43 -11.512 -4.007 4.902 307 2HD1 ILE 43 2HD1 ILE 43 -10.075 -4.647 4.062 308 3HD1 ILE 43 3HD1 ILE 43 -10.041 -4.398 5.821 309 H GLU 44 H GLU 44 -12.682 -0.156 2.015 310 HA GLU 44 HA GLU 44 -11.241 1.136 -0.275 311 1HB GLU 44 1HB GLU 44 -13.945 1.133 -0.964 312 2HB GLU 44 2HB GLU 44 -12.718 0.011 -1.466 313 1HG GLU 44 1HG GLU 44 -13.367 -1.614 0.331 314 2HG GLU 44 2HG GLU 44 -14.463 -0.453 1.060 315 H ASP 45 H ASP 45 -13.396 2.230 2.249 316 HA ASP 45 HA ASP 45 -13.698 5.076 1.407 317 1HB ASP 45 1HB ASP 45 -13.989 3.523 4.025 318 2HB ASP 45 2HB ASP 45 -13.930 5.279 4.081 319 H LEU 46 H LEU 46 -11.205 3.296 3.203 320 HA LEU 46 HA LEU 46 -9.391 5.632 3.598 321 1HB LEU 46 1HB LEU 46 -9.449 3.570 5.015 322 2HB LEU 46 2HB LEU 46 -8.811 2.611 3.700 323 HG LEU 46 HG LEU 46 -6.609 3.644 3.817 324 1HD1 LEU 46 1HD1 LEU 46 -8.013 5.846 5.410 325 2HD1 LEU 46 2HD1 LEU 46 -6.275 5.516 5.662 326 3HD1 LEU 46 3HD1 LEU 46 -6.857 5.958 4.050 327 1HD2 LEU 46 1HD2 LEU 46 -7.752 3.075 6.615 328 2HD2 LEU 46 2HD2 LEU 46 -6.736 1.998 5.613 329 3HD2 LEU 46 3HD2 LEU 46 -6.048 3.465 6.371 330 H MET 47 H MET 47 -8.856 2.849 1.388 331 HA MET 47 HA MET 47 -6.863 3.971 -0.282 332 1HB MET 47 1HB MET 47 -8.248 1.618 -0.308 333 2HB MET 47 2HB MET 47 -9.023 2.381 -1.685 334 1HG MET 47 1HG MET 47 -5.957 2.326 -1.595 335 2HG MET 47 2HG MET 47 -6.874 0.899 -2.113 336 1HE MET 47 1HE MET 47 -4.759 3.023 -3.541 337 2HE MET 47 2HE MET 47 -5.216 1.484 -4.326 338 3HE MET 47 3HE MET 47 -5.369 3.017 -5.232 339 H LYS 48 H LYS 48 -10.356 4.604 -0.515 340 HA LYS 48 HA LYS 48 -10.060 6.508 -2.816 341 1HB LYS 48 1HB LYS 48 -12.441 5.741 -1.041 342 2HB LYS 48 2HB LYS 48 -12.610 6.767 -2.433 343 1HG LYS 48 1HG LYS 48 -11.462 3.878 -2.646 344 2HG LYS 48 2HG LYS 48 -13.172 4.161 -2.576 345 1HD LYS 48 1HD LYS 48 -11.846 5.856 -4.652 346 2HD LYS 48 2HD LYS 48 -11.653 4.168 -4.987 347 1HE LYS 48 1HE LYS 48 -14.316 3.993 -4.689 348 2HE LYS 48 2HE LYS 48 -14.304 5.748 -4.664 349 1HZ LYS 48 1HZ LYS 48 -12.996 5.624 -6.924 350 2HZ LYS 48 2HZ LYS 48 -13.478 4.043 -7.015 351 3HZ LYS 48 3HZ LYS 48 -14.541 5.280 -6.962 352 H ASP 49 H ASP 49 -9.724 6.831 0.583 353 HA ASP 49 HA ASP 49 -9.960 9.841 0.645 354 1HB ASP 49 1HB ASP 49 -10.037 8.339 2.731 355 2HB ASP 49 2HB ASP 49 -8.316 8.040 2.535 356 H SER 50 H SER 50 -7.292 7.517 0.136 357 HA SER 50 HA SER 50 -5.327 9.810 0.058 358 1HB SER 50 1HB SER 50 -5.017 6.765 0.441 359 2HB SER 50 2HB SER 50 -3.621 7.828 0.296 360 HG SER 50 HG SER 50 -4.301 7.434 2.462 361 H ASP 51 H ASP 51 -6.172 7.033 -2.094 362 HA ASP 51 HA ASP 51 -4.607 7.652 -4.363 363 1HB ASP 51 1HB ASP 51 -6.362 5.767 -3.973 364 2HB ASP 51 2HB ASP 51 -7.585 6.885 -4.562 365 H LYS 52 H LYS 52 -4.221 9.355 -5.520 366 HA LYS 52 HA LYS 52 -5.884 11.847 -5.755 367 1HB LYS 52 1HB LYS 52 -3.411 10.694 -7.097 368 2HB LYS 52 2HB LYS 52 -4.191 12.035 -7.878 369 1HG LYS 52 1HG LYS 52 -3.049 13.493 -6.455 370 2HG LYS 52 2HG LYS 52 -3.891 12.819 -5.096 371 1HD LYS 52 1HD LYS 52 -1.974 12.043 -4.252 372 2HD LYS 52 2HD LYS 52 -1.910 10.820 -5.478 373 1HE LYS 52 1HE LYS 52 -0.705 13.666 -5.928 374 2HE LYS 52 2HE LYS 52 0.192 12.400 -5.091 375 1HZ LYS 52 1HZ LYS 52 -0.976 11.507 -7.705 376 2HZ LYS 52 2HZ LYS 52 0.295 12.564 -7.812 377 3HZ LYS 52 3HZ LYS 52 0.414 11.128 -7.046 378 H ASN 53 H ASN 53 -4.914 10.296 -8.706 379 HA ASN 53 HA ASN 53 -7.319 11.112 -10.025 380 1HB ASN 53 1HB ASN 53 -6.394 9.916 -12.048 381 2HB ASN 53 2HB ASN 53 -5.186 10.864 -11.226 382 1HD2 ASN 53 1HD2 ASN 53 -4.711 6.816 -11.335 383 2HD2 ASN 53 2HD2 ASN 53 -6.341 7.545 -11.690 384 H ASN 54 H ASN 54 -6.957 8.226 -8.226 385 HA ASN 54 HA ASN 54 -8.653 6.682 -7.498 386 1HB ASN 54 1HB ASN 54 -10.273 9.084 -8.551 387 2HB ASN 54 2HB ASN 54 -11.103 7.674 -7.954 388 1HD2 ASN 54 1HD2 ASN 54 -9.745 8.359 -4.553 389 2HD2 ASN 54 2HD2 ASN 54 -9.745 6.950 -5.705 390 H ASP 55 H ASP 55 -7.507 6.055 -9.986 391 HA ASP 55 HA ASP 55 -9.733 4.424 -11.306 392 1HB ASP 55 1HB ASP 55 -7.870 5.614 -12.696 393 2HB ASP 55 2HB ASP 55 -6.753 4.402 -12.085 394 H GLY 56 H GLY 56 -7.322 4.245 -8.862 395 1HA GLY 56 1HA GLY 56 -7.336 2.612 -7.043 396 2HA GLY 56 2HA GLY 56 -8.335 1.549 -8.042 397 H ARG 57 H ARG 57 -5.213 2.612 -9.341 398 HA ARG 57 HA ARG 57 -3.831 0.176 -8.085 399 1HB ARG 57 1HB ARG 57 -4.346 0.441 -10.701 400 2HB ARG 57 2HB ARG 57 -2.909 1.463 -10.694 401 1HG ARG 57 1HG ARG 57 -1.670 -0.541 -9.510 402 2HG ARG 57 2HG ARG 57 -3.095 -1.516 -9.862 403 1HD ARG 57 1HD ARG 57 -1.509 0.001 -12.057 404 2HD ARG 57 2HD ARG 57 -1.147 -1.652 -11.568 405 HE ARG 57 HE ARG 57 -3.810 -0.826 -12.845 406 1HH1 ARG 57 2HH1 ARG 57 -1.778 -3.418 -11.772 407 2HH1 ARG 57 1HH1 ARG 57 -2.652 -4.618 -12.862 408 1HH2 ARG 57 1HH2 ARG 57 -4.897 -2.201 -13.790 409 2HH2 ARG 57 2HH2 ARG 57 -4.420 -3.970 -13.869 410 H ILE 58 H ILE 58 -2.131 0.446 -6.849 411 HA ILE 58 HA ILE 58 -0.973 3.223 -6.421 412 HB ILE 58 HB ILE 58 -1.012 0.733 -4.648 413 1HG1 ILE 58 1HG1 ILE 58 -2.247 3.546 -4.276 414 2HG1 ILE 58 2HG1 ILE 58 -3.122 2.082 -4.628 415 1HG2 ILE 58 1HG2 ILE 58 1.235 1.856 -4.315 416 2HG2 ILE 58 2HG2 ILE 58 0.433 3.407 -3.999 417 3HG2 ILE 58 3HG2 ILE 58 0.234 2.040 -2.879 418 1HD1 ILE 58 1HD1 ILE 58 -2.440 1.047 -2.416 419 2HD1 ILE 58 2HD1 ILE 58 -1.652 2.583 -1.972 420 3HD1 ILE 58 3HD1 ILE 58 -3.406 2.535 -2.255 421 H ASP 59 H ASP 59 0.849 3.716 -7.431 422 HA ASP 59 HA ASP 59 3.047 1.655 -7.828 423 1HB ASP 59 1HB ASP 59 4.019 3.301 -9.415 424 2HB ASP 59 2HB ASP 59 2.330 2.992 -9.788 425 H PHE 60 H PHE 60 5.373 2.923 -7.714 426 HA PHE 60 HA PHE 60 6.011 2.400 -4.893 427 1HB PHE 60 1HB PHE 60 7.527 2.177 -6.997 428 2HB PHE 60 2HB PHE 60 7.794 3.887 -6.909 429 HD1 PHE 60 HD1 PHE 60 7.732 3.490 -3.543 430 HD2 PHE 60 HD2 PHE 60 10.050 1.994 -6.836 431 HE1 PHE 60 HE1 PHE 60 9.705 3.281 -2.071 432 HE2 PHE 60 HE2 PHE 60 12.001 1.765 -5.360 433 HZ PHE 60 HZ PHE 60 11.842 2.407 -2.975 434 H ASP 61 H ASP 61 5.243 5.397 -6.529 435 HA ASP 61 HA ASP 61 6.191 7.438 -4.603 436 1HB ASP 61 1HB ASP 61 5.411 8.401 -6.628 437 2HB ASP 61 2HB ASP 61 4.135 7.218 -6.849 438 H GLU 62 H GLU 62 2.846 6.774 -5.178 439 HA GLU 62 HA GLU 62 1.386 7.142 -2.781 440 1HB GLU 62 1HB GLU 62 0.972 4.631 -4.447 441 2HB GLU 62 2HB GLU 62 -0.206 5.484 -3.495 442 1HG GLU 62 1HG GLU 62 1.089 6.937 -5.884 443 2HG GLU 62 2HG GLU 62 -0.158 5.740 -6.182 444 H PHE 63 H PHE 63 3.723 4.531 -3.255 445 HA PHE 63 HA PHE 63 2.959 2.889 -0.846 446 1HB PHE 63 1HB PHE 63 4.305 2.093 -2.908 447 2HB PHE 63 2HB PHE 63 5.660 2.990 -2.312 448 HD1 PHE 63 HD1 PHE 63 3.292 0.565 -0.516 449 HD2 PHE 63 HD2 PHE 63 7.331 1.486 -1.679 450 HE1 PHE 63 HE1 PHE 63 4.147 -1.162 1.023 451 HE2 PHE 63 HE2 PHE 63 8.152 -0.283 -0.207 452 HZ PHE 63 HZ PHE 63 6.584 -1.528 1.244 453 H LEU 64 H LEU 64 5.731 5.062 -1.472 454 HA LEU 64 HA LEU 64 6.679 5.514 1.187 455 1HB LEU 64 1HB LEU 64 6.611 7.397 -1.222 456 2HB LEU 64 2HB LEU 64 7.394 7.868 0.266 457 HG LEU 64 HG LEU 64 8.203 5.257 -1.121 458 1HD1 LEU 64 1HD1 LEU 64 9.182 8.105 -1.844 459 2HD1 LEU 64 2HD1 LEU 64 9.987 6.593 -2.343 460 3HD1 LEU 64 3HD1 LEU 64 8.343 6.928 -2.891 461 1HD2 LEU 64 1HD2 LEU 64 9.736 7.235 0.723 462 2HD2 LEU 64 2HD2 LEU 64 9.201 5.580 1.135 463 3HD2 LEU 64 3HD2 LEU 64 10.464 5.820 -0.079 464 H LYS 65 H LYS 65 3.892 7.117 -0.307 465 HA LYS 65 HA LYS 65 3.340 8.961 1.958 466 1HB LYS 65 1HB LYS 65 2.434 9.845 0.112 467 2HB LYS 65 2HB LYS 65 2.484 8.338 -0.783 468 1HG LYS 65 1HG LYS 65 0.178 8.167 -0.649 469 2HG LYS 65 2HG LYS 65 0.212 8.319 1.118 470 1HD LYS 65 1HD LYS 65 -0.382 10.493 1.089 471 2HD LYS 65 2HD LYS 65 0.901 10.945 -0.038 472 1HE LYS 65 1HE LYS 65 -1.698 9.635 -1.083 473 2HE LYS 65 2HE LYS 65 -1.736 11.326 -0.549 474 1HZ LYS 65 1HZ LYS 65 0.477 10.491 -2.454 475 2HZ LYS 65 2HZ LYS 65 -1.006 10.817 -3.047 476 3HZ LYS 65 3HZ LYS 65 -0.208 11.980 -2.275 477 H MET 66 H MET 66 1.613 5.990 0.888 478 HA MET 66 HA MET 66 -0.017 5.720 3.279 479 1HB MET 66 1HB MET 66 -0.838 4.686 1.308 480 2HB MET 66 2HB MET 66 0.689 3.916 0.934 481 1HG MET 66 1HG MET 66 -0.474 2.894 3.503 482 2HG MET 66 2HG MET 66 -1.481 2.577 2.077 483 1HE MET 66 1HE MET 66 -0.110 1.947 -0.346 484 2HE MET 66 2HE MET 66 0.420 0.249 -0.155 485 3HE MET 66 3HE MET 66 -1.169 0.766 0.486 486 H MET 67 H MET 67 3.303 4.816 2.918 487 HA MET 67 HA MET 67 3.263 3.320 5.584 488 1HB MET 67 1HB MET 67 4.657 2.353 3.753 489 2HB MET 67 2HB MET 67 5.516 3.867 3.555 490 1HG MET 67 1HG MET 67 7.107 2.827 4.869 491 2HG MET 67 2HG MET 67 6.134 3.486 6.199 492 1HE MET 67 1HE MET 67 8.146 1.195 5.505 493 2HE MET 67 2HE MET 67 7.699 -0.113 6.643 494 3HE MET 67 3HE MET 67 7.424 -0.327 4.888 495 H GLU 68 H GLU 68 4.193 6.481 4.248 496 HA GLU 68 HA GLU 68 5.339 7.417 6.841 497 1HB GLU 68 1HB GLU 68 7.092 5.940 5.415 498 2HB GLU 68 2HB GLU 68 7.426 7.470 4.663 499 1HG GLU 68 1HG GLU 68 8.415 8.398 6.639 500 2HG GLU 68 2HG GLU 68 7.490 7.385 7.732 501 H GLY 69 H GLY 69 3.333 8.238 4.808 502 1HA GLY 69 1HA GLY 69 4.198 11.085 4.052 503 2HA GLY 69 2HA GLY 69 2.671 10.335 3.572 504 H VAL 70 H VAL 70 1.000 11.245 4.452 505 HA VAL 70 HA VAL 70 1.359 12.909 7.010 506 HB VAL 70 HB VAL 70 1.018 13.965 4.590 507 1HG1 VAL 70 1HG1 VAL 70 -1.928 13.497 5.448 508 2HG1 VAL 70 2HG1 VAL 70 -1.404 14.610 4.158 509 3HG1 VAL 70 3HG1 VAL 70 -1.149 12.873 3.974 510 1HG2 VAL 70 1HG2 VAL 70 1.199 15.317 6.718 511 2HG2 VAL 70 2HG2 VAL 70 0.010 16.013 5.628 512 3HG2 VAL 70 3HG2 VAL 70 -0.530 15.074 7.051 513 H GLN 71 H GLN 71 -0.490 13.060 8.479 514 HA GLN 71 HA GLN 71 -2.640 11.005 8.264 515 1HB GLN 71 1HB GLN 71 -1.372 12.033 10.369 516 2HB GLN 71 2HB GLN 71 -2.648 13.248 10.322 517 1HG GLN 71 1HG GLN 71 -4.216 10.980 10.141 518 2HG GLN 71 2HG GLN 71 -2.844 10.249 10.954 519 1HE2 GLN 71 1HE2 GLN 71 -4.015 11.394 14.059 520 2HE2 GLN 71 2HE2 GLN 71 -2.967 10.243 13.061 521 1HN NH2 72 1HN NH2 72 -4.892 11.263 7.834 522 2HN NH2 72 2HN NH2 72 -5.556 12.733 7.071 No H/Q in entry = 522 Start of MODEL 42 1 1H ACE 1 1HH3 ACE 1 18.435 9.102 -2.628 2 2H ACE 1 2HH3 ACE 1 20.020 9.951 -2.539 3 3H ACE 1 3HH3 ACE 1 19.371 9.400 -4.110 4 H LYS 2 H LYS 2 20.003 7.932 -0.912 5 HA LYS 2 HA LYS 2 20.071 5.233 -2.037 6 1HB LYS 2 1HB LYS 2 22.470 6.281 -2.502 7 2HB LYS 2 2HB LYS 2 22.814 5.905 -0.828 8 1HG LYS 2 1HG LYS 2 23.548 3.864 -1.793 9 2HG LYS 2 2HG LYS 2 21.867 3.426 -1.634 10 1HD LYS 2 1HD LYS 2 21.418 3.680 -3.965 11 2HD LYS 2 2HD LYS 2 22.699 4.868 -4.213 12 1HE LYS 2 1HE LYS 2 23.535 2.075 -3.295 13 2HE LYS 2 2HE LYS 2 23.021 2.240 -4.984 14 1HZ LYS 2 1HZ LYS 2 24.639 4.431 -4.748 15 2HZ LYS 2 2HZ LYS 2 25.391 3.589 -3.663 16 3HZ LYS 2 3HZ LYS 2 25.288 3.028 -5.225 17 H SER 3 H SER 3 18.823 6.863 0.124 18 HA SER 3 HA SER 3 19.198 4.849 2.388 19 1HB SER 3 1HB SER 3 19.320 7.412 2.664 20 2HB SER 3 2HB SER 3 17.589 7.472 2.436 21 HG SER 3 HG SER 3 18.968 5.891 4.399 22 H GLU 4 H GLU 4 16.949 5.678 -0.114 23 HA GLU 4 HA GLU 4 14.462 4.457 0.996 24 1HB GLU 4 1HB GLU 4 14.171 4.293 -1.766 25 2HB GLU 4 2HB GLU 4 13.494 5.412 -0.608 26 1HG GLU 4 1HG GLU 4 14.885 7.211 -1.318 27 2HG GLU 4 2HG GLU 4 16.220 6.162 -1.783 28 H GLU 5 H GLU 5 17.392 3.079 -0.145 29 HA GLU 5 HA GLU 5 17.019 0.514 -0.853 30 1HB GLU 5 1HB GLU 5 19.161 1.320 -0.093 31 2HB GLU 5 2HB GLU 5 18.663 1.344 1.571 32 1HG GLU 5 1HG GLU 5 18.439 -1.414 0.394 33 2HG GLU 5 2HG GLU 5 20.063 -0.766 0.254 34 H GLU 6 H GLU 6 16.462 1.133 2.627 35 HA GLU 6 HA GLU 6 15.554 -1.595 3.099 36 1HB GLU 6 1HB GLU 6 16.701 -0.689 4.865 37 2HB GLU 6 2HB GLU 6 15.906 0.855 4.802 38 1HG GLU 6 1HG GLU 6 13.965 0.044 6.064 39 2HG GLU 6 2HG GLU 6 14.365 -1.641 5.787 40 H LEU 7 H LEU 7 13.658 1.335 2.638 41 HA LEU 7 HA LEU 7 10.964 0.066 3.087 42 1HB LEU 7 1HB LEU 7 11.770 2.679 1.697 43 2HB LEU 7 2HB LEU 7 10.113 2.178 1.934 44 HG LEU 7 HG LEU 7 10.873 2.067 4.549 45 1HD1 LEU 7 1HD1 LEU 7 13.249 2.655 4.107 46 2HD1 LEU 7 2HD1 LEU 7 12.770 4.186 3.330 47 3HD1 LEU 7 3HD1 LEU 7 12.472 3.922 5.068 48 1HD2 LEU 7 1HD2 LEU 7 10.134 4.681 3.035 49 2HD2 LEU 7 2HD2 LEU 7 8.999 3.505 3.752 50 3HD2 LEU 7 3HD2 LEU 7 10.049 4.459 4.803 51 H ALA 8 H ALA 8 13.148 0.390 0.335 52 HA ALA 8 HA ALA 8 11.306 -0.722 -1.664 53 1HB ALA 8 1HB ALA 8 14.393 -0.502 -1.602 54 2HB ALA 8 2HB ALA 8 13.424 -0.874 -3.042 55 3HB ALA 8 3HB ALA 8 13.247 0.696 -2.249 56 H ASN 9 H ASN 9 14.123 -2.451 -0.136 57 HA ASN 9 HA ASN 9 13.259 -5.138 -0.622 58 1HB ASN 9 1HB ASN 9 14.676 -4.057 1.914 59 2HB ASN 9 2HB ASN 9 14.580 -5.741 1.479 60 1HD2 ASN 9 1HD2 ASN 9 17.459 -3.491 -0.186 61 2HD2 ASN 9 2HD2 ASN 9 16.282 -2.819 1.029 62 H ALA 10 H ALA 10 12.154 -3.044 2.027 63 HA ALA 10 HA ALA 10 10.158 -4.807 3.299 64 1HB ALA 10 1HB ALA 10 11.012 -2.658 4.255 65 2HB ALA 10 2HB ALA 10 10.201 -1.727 2.968 66 3HB ALA 10 3HB ALA 10 9.240 -2.645 4.150 67 H PHE 11 H PHE 11 9.732 -2.436 0.634 68 HA PHE 11 HA PHE 11 6.867 -2.918 0.291 69 1HB PHE 11 1HB PHE 11 8.065 -0.799 -0.285 70 2HB PHE 11 2HB PHE 11 8.896 -1.588 -1.583 71 HD1 PHE 11 HD1 PHE 11 7.672 -2.314 -3.685 72 HD2 PHE 11 HD2 PHE 11 5.714 0.028 -0.652 73 HE1 PHE 11 HE1 PHE 11 5.959 -1.623 -5.310 74 HE2 PHE 11 HE2 PHE 11 3.987 0.676 -2.285 75 HZ PHE 11 HZ PHE 11 4.127 -0.125 -4.623 76 H ARG 12 H ARG 12 9.624 -4.279 -1.515 77 HA ARG 12 HA ARG 12 8.011 -6.110 -3.160 78 1HB ARG 12 1HB ARG 12 10.009 -7.023 -3.920 79 2HB ARG 12 2HB ARG 12 10.512 -5.403 -3.450 80 1HG ARG 12 1HG ARG 12 11.696 -6.177 -1.510 81 2HG ARG 12 2HG ARG 12 10.763 -7.674 -1.389 82 1HD ARG 12 1HD ARG 12 11.892 -8.631 -3.393 83 2HD ARG 12 2HD ARG 12 12.726 -7.085 -3.709 84 HE ARG 12 HE ARG 12 13.503 -7.598 -1.052 85 1HH1 ARG 12 2HH1 ARG 12 13.569 -9.674 -3.826 86 2HH1 ARG 12 1HH1 ARG 12 14.972 -10.646 -3.167 87 1HH2 ARG 12 1HH2 ARG 12 15.081 -8.682 -0.342 88 2HH2 ARG 12 2HH2 ARG 12 15.777 -10.093 -1.265 89 H ILE 13 H ILE 13 9.245 -6.413 0.154 90 HA ILE 13 HA ILE 13 9.037 -9.386 0.355 91 HB ILE 13 HB ILE 13 9.516 -7.165 2.386 92 1HG1 ILE 13 1HG1 ILE 13 11.404 -8.341 0.843 93 2HG1 ILE 13 2HG1 ILE 13 11.730 -7.825 2.475 94 1HG2 ILE 13 1HG2 ILE 13 8.075 -8.836 3.615 95 2HG2 ILE 13 2HG2 ILE 13 9.150 -10.164 3.120 96 3HG2 ILE 13 3HG2 ILE 13 9.715 -8.903 4.233 97 1HD1 ILE 13 1HD1 ILE 13 11.373 -10.144 3.386 98 2HD1 ILE 13 2HD1 ILE 13 11.098 -10.745 1.732 99 3HD1 ILE 13 3HD1 ILE 13 12.676 -10.066 2.178 100 H PHE 14 H PHE 14 6.906 -6.670 1.006 101 HA PHE 14 HA PHE 14 4.651 -8.081 2.381 102 1HB PHE 14 1HB PHE 14 4.794 -5.513 0.671 103 2HB PHE 14 2HB PHE 14 3.301 -6.111 1.318 104 HD1 PHE 14 HD1 PHE 14 5.886 -6.852 3.689 105 HD2 PHE 14 HD2 PHE 14 3.390 -3.648 2.295 106 HE1 PHE 14 HE1 PHE 14 6.187 -5.679 5.834 107 HE2 PHE 14 HE2 PHE 14 3.712 -2.469 4.432 108 HZ PHE 14 HZ PHE 14 5.126 -3.465 6.197 109 H ASP 15 H ASP 15 5.035 -7.004 -1.019 110 HA ASP 15 HA ASP 15 2.492 -8.200 -1.793 111 1HB ASP 15 1HB ASP 15 3.410 -6.065 -2.696 112 2HB ASP 15 2HB ASP 15 4.711 -6.918 -3.514 113 H LYS 16 H LYS 16 1.926 -9.848 -3.221 114 HA LYS 16 HA LYS 16 3.654 -12.299 -2.852 115 1HB LYS 16 1HB LYS 16 0.995 -12.516 -4.283 116 2HB LYS 16 2HB LYS 16 1.765 -13.653 -3.212 117 1HG LYS 16 1HG LYS 16 0.640 -10.988 -2.127 118 2HG LYS 16 2HG LYS 16 -0.459 -12.296 -2.543 119 1HD LYS 16 1HD LYS 16 0.073 -12.340 -0.111 120 2HD LYS 16 2HD LYS 16 0.566 -13.817 -0.936 121 1HE LYS 16 1HE LYS 16 2.854 -11.976 -0.915 122 2HE LYS 16 2HE LYS 16 2.259 -12.209 0.741 123 1HZ LYS 16 1HZ LYS 16 2.096 -14.801 -0.216 124 2HZ LYS 16 2HZ LYS 16 3.374 -14.258 -1.111 125 3HZ LYS 16 3HZ LYS 16 3.439 -14.198 0.514 126 H ASN 17 H ASN 17 1.605 -11.430 -5.636 127 HA ASN 17 HA ASN 17 3.249 -13.021 -7.407 128 1HB ASN 17 1HB ASN 17 1.627 -11.977 -9.235 129 2HB ASN 17 2HB ASN 17 1.058 -13.131 -8.058 130 1HD2 ASN 17 1HD2 ASN 17 -1.203 -10.754 -6.626 131 2HD2 ASN 17 2HD2 ASN 17 -0.453 -12.372 -6.431 132 H ALA 18 H ALA 18 2.912 -9.458 -7.329 133 HA ALA 18 HA ALA 18 4.789 -7.940 -7.288 134 1HB ALA 18 1HB ALA 18 6.052 -9.974 -6.493 135 2HB ALA 18 2HB ALA 18 6.363 -10.435 -8.181 136 3HB ALA 18 3HB ALA 18 7.066 -8.941 -7.538 137 H ASP 19 H ASP 19 3.138 -7.893 -9.666 138 HA ASP 19 HA ASP 19 5.077 -6.725 -11.643 139 1HB ASP 19 1HB ASP 19 2.963 -7.563 -12.502 140 2HB ASP 19 2HB ASP 19 2.013 -6.633 -11.351 141 H GLY 20 H GLY 20 5.027 -5.883 -8.711 142 1HA GLY 20 1HA GLY 20 6.407 -3.978 -8.005 143 2HA GLY 20 2HA GLY 20 5.845 -3.074 -9.417 144 H TYR 21 H TYR 21 3.044 -4.104 -8.098 145 HA TYR 21 HA TYR 21 2.620 -1.418 -6.649 146 1HB TYR 21 1HB TYR 21 0.549 -3.020 -8.283 147 2HB TYR 21 2HB TYR 21 0.267 -1.501 -7.486 148 HD1 TYR 21 HD1 TYR 21 2.430 -3.005 -10.192 149 HD2 TYR 21 HD2 TYR 21 0.635 0.580 -8.635 150 HE1 TYR 21 HE1 TYR 21 2.999 -1.807 -12.268 151 HE2 TYR 21 HE2 TYR 21 1.216 1.756 -10.732 152 HH TYR 21 HH TYR 21 1.599 0.948 -13.233 153 H ILE 22 H ILE 22 1.237 -1.302 -4.885 154 HA ILE 22 HA ILE 22 0.316 -3.926 -3.579 155 HB ILE 22 HB ILE 22 1.094 -1.279 -2.245 156 1HG1 ILE 22 1HG1 ILE 22 2.438 -4.051 -2.242 157 2HG1 ILE 22 2HG1 ILE 22 3.130 -2.523 -2.716 158 1HG2 ILE 22 1HG2 ILE 22 -0.878 -2.288 -1.010 159 2HG2 ILE 22 2HG2 ILE 22 -0.016 -3.831 -0.857 160 3HG2 ILE 22 3HG2 ILE 22 0.568 -2.371 -0.018 161 1HD1 ILE 22 1HD1 ILE 22 3.026 -1.670 -0.318 162 2HD1 ILE 22 2HD1 ILE 22 2.511 -3.298 0.192 163 3HD1 ILE 22 3HD1 ILE 22 4.100 -3.069 -0.568 164 H ASP 23 H ASP 23 -1.793 -4.299 -3.608 165 HA ASP 23 HA ASP 23 -3.564 -2.067 -4.711 166 1HB ASP 23 1HB ASP 23 -4.850 -3.979 -5.799 167 2HB ASP 23 2HB ASP 23 -3.178 -3.834 -6.324 168 H ILE 24 H ILE 24 -6.026 -2.669 -4.423 169 HA ILE 24 HA ILE 24 -6.598 -2.079 -1.525 170 HB ILE 24 HB ILE 24 -7.868 -1.222 -3.738 171 1HG1 ILE 24 1HG1 ILE 24 -8.434 -0.151 -1.653 172 2HG1 ILE 24 2HG1 ILE 24 -9.943 -0.699 -2.330 173 1HG2 ILE 24 1HG2 ILE 24 -8.787 -3.481 -4.441 174 2HG2 ILE 24 2HG2 ILE 24 -9.643 -3.628 -2.893 175 3HG2 ILE 24 3HG2 ILE 24 -10.099 -2.374 -4.074 176 1HD1 ILE 24 1HD1 ILE 24 -9.934 -2.751 -0.822 177 2HD1 ILE 24 2HD1 ILE 24 -8.511 -2.080 0.011 178 3HD1 ILE 24 3HD1 ILE 24 -10.050 -1.194 0.040 179 H GLU 25 H GLU 25 -6.589 -4.879 -3.599 180 HA GLU 25 HA GLU 25 -8.181 -6.634 -1.756 181 1HB GLU 25 1HB GLU 25 -8.143 -6.793 -4.305 182 2HB GLU 25 2HB GLU 25 -6.567 -7.515 -4.196 183 1HG GLU 25 1HG GLU 25 -7.862 -9.470 -4.328 184 2HG GLU 25 2HG GLU 25 -7.837 -9.322 -2.581 185 H GLU 26 H GLU 26 -4.761 -6.110 -2.402 186 HA GLU 26 HA GLU 26 -3.852 -8.393 -0.679 187 1HB GLU 26 1HB GLU 26 -2.293 -6.295 -2.244 188 2HB GLU 26 2HB GLU 26 -1.508 -7.467 -1.230 189 1HG GLU 26 1HG GLU 26 -2.945 -9.235 -2.795 190 2HG GLU 26 2HG GLU 26 -2.890 -7.894 -3.923 191 H LEU 27 H LEU 27 -4.472 -5.041 -0.145 192 HA LEU 27 HA LEU 27 -2.715 -4.331 2.113 193 1HB LEU 27 1HB LEU 27 -4.130 -2.733 0.822 194 2HB LEU 27 2HB LEU 27 -5.585 -3.446 1.468 195 HG LEU 27 HG LEU 27 -4.526 -2.785 3.867 196 1HD1 LEU 27 1HD1 LEU 27 -2.328 -2.038 2.947 197 2HD1 LEU 27 2HD1 LEU 27 -3.124 -0.760 1.986 198 3HD1 LEU 27 3HD1 LEU 27 -3.159 -0.721 3.772 199 1HD2 LEU 27 1HD2 LEU 27 -5.774 -0.647 1.982 200 2HD2 LEU 27 2HD2 LEU 27 -6.678 -1.821 2.986 201 3HD2 LEU 27 3HD2 LEU 27 -5.696 -0.574 3.765 202 H GLY 28 H GLY 28 -6.166 -5.268 2.489 203 1HA GLY 28 1HA GLY 28 -6.143 -6.186 5.166 204 2HA GLY 28 2HA GLY 28 -7.226 -6.885 3.956 205 H GLU 29 H GLU 29 -4.876 -7.991 2.439 206 HA GLU 29 HA GLU 29 -4.329 -10.549 3.900 207 1HB GLU 29 1HB GLU 29 -3.701 -9.451 1.195 208 2HB GLU 29 2HB GLU 29 -2.509 -10.547 1.825 209 1HG GLU 29 1HG GLU 29 -3.950 -11.979 0.561 210 2HG GLU 29 2HG GLU 29 -4.513 -12.264 2.197 211 H ILE 30 H ILE 30 -2.508 -7.560 3.342 212 HA ILE 30 HA ILE 30 0.124 -8.435 4.432 213 HB ILE 30 HB ILE 30 -1.106 -5.652 4.100 214 1HG1 ILE 30 1HG1 ILE 30 0.073 -5.389 2.115 215 2HG1 ILE 30 2HG1 ILE 30 1.456 -6.293 2.670 216 1HG2 ILE 30 1HG2 ILE 30 0.487 -5.556 6.052 217 2HG2 ILE 30 2HG2 ILE 30 1.773 -6.295 5.064 218 3HG2 ILE 30 3HG2 ILE 30 1.142 -4.669 4.680 219 1HD1 ILE 30 1HD1 ILE 30 -1.099 -7.684 1.621 220 2HD1 ILE 30 2HD1 ILE 30 0.441 -7.462 0.764 221 3HD1 ILE 30 3HD1 ILE 30 0.379 -8.485 2.214 222 H LEU 31 H LEU 31 -2.574 -6.589 5.895 223 HA LEU 31 HA LEU 31 -1.600 -6.853 8.718 224 1HB LEU 31 1HB LEU 31 -3.830 -5.956 9.355 225 2HB LEU 31 2HB LEU 31 -2.965 -4.935 8.232 226 HG LEU 31 HG LEU 31 -4.500 -6.350 6.420 227 1HD1 LEU 31 1HD1 LEU 31 -6.175 -6.215 9.018 228 2HD1 LEU 31 2HD1 LEU 31 -6.823 -6.539 7.387 229 3HD1 LEU 31 3HD1 LEU 31 -5.680 -7.673 8.114 230 1HD2 LEU 31 1HD2 LEU 31 -5.365 -3.818 7.993 231 2HD2 LEU 31 2HD2 LEU 31 -4.436 -3.864 6.469 232 3HD2 LEU 31 3HD2 LEU 31 -6.123 -4.387 6.483 233 H ARG 32 H ARG 32 -3.932 -8.654 6.740 234 HA ARG 32 HA ARG 32 -4.133 -10.787 8.946 235 1HB ARG 32 1HB ARG 32 -6.009 -9.087 7.732 236 2HB ARG 32 2HB ARG 32 -6.277 -10.591 6.852 237 1HG ARG 32 1HG ARG 32 -6.533 -11.763 9.159 238 2HG ARG 32 2HG ARG 32 -6.355 -10.170 9.916 239 1HD ARG 32 1HD ARG 32 -8.449 -9.355 9.088 240 2HD ARG 32 2HD ARG 32 -8.471 -10.482 7.713 241 HE ARG 32 HE ARG 32 -8.590 -11.774 10.458 242 1HH1 ARG 32 2HH1 ARG 32 -10.436 -10.747 7.699 243 2HH1 ARG 32 1HH1 ARG 32 -11.865 -11.780 8.177 244 1HH2 ARG 32 1HH2 ARG 32 -10.225 -12.913 10.972 245 2HH2 ARG 32 2HH2 ARG 32 -11.733 -12.931 9.948 246 H ALA 33 H ALA 33 -1.985 -10.816 6.844 247 HA ALA 33 HA ALA 33 -2.400 -13.397 5.484 248 1HB ALA 33 1HB ALA 33 -0.682 -11.726 4.811 249 2HB ALA 33 2HB ALA 33 0.190 -11.951 6.352 250 3HB ALA 33 3HB ALA 33 0.082 -13.282 5.179 251 H THR 34 H THR 34 -0.324 -12.791 8.340 252 HA THR 34 HA THR 34 -0.152 -15.749 8.848 253 HB THR 34 HB THR 34 1.403 -13.789 10.557 254 HG1 THR 34 HG1 THR 34 2.963 -13.719 8.871 255 1HG2 THR 34 2HG2 THR 34 1.681 -16.352 10.671 256 2HG2 THR 34 3HG2 THR 34 2.259 -16.322 8.985 257 3HG2 THR 34 1HG2 THR 34 3.189 -15.499 10.250 258 H GLY 35 H GLY 35 -0.656 -12.940 11.099 259 1HA GLY 35 1HA GLY 35 -1.969 -14.889 13.084 260 2HA GLY 35 2HA GLY 35 -0.724 -13.770 13.652 261 1HN NH2 36 1HN NH2 36 -3.506 -13.080 11.368 262 2HN NH2 36 2HN NH2 36 -4.223 -11.806 12.391 263 1H ACE 37 1HH3 ACE 37 -10.538 -9.931 13.468 264 2H ACE 37 2HH3 ACE 37 -9.097 -9.170 12.709 265 3H ACE 37 3HH3 ACE 37 -9.350 -9.055 14.470 266 H VAL 38 H VAL 38 -10.938 -8.199 11.396 267 HA VAL 38 HA VAL 38 -12.836 -6.135 12.342 268 HB VAL 38 HB VAL 38 -10.010 -5.390 12.468 269 1HG1 VAL 38 1HG1 VAL 38 -11.750 -3.639 10.582 270 2HG1 VAL 38 2HG1 VAL 38 -10.220 -3.103 11.314 271 3HG1 VAL 38 3HG1 VAL 38 -10.227 -4.448 10.169 272 1HG2 VAL 38 1HG2 VAL 38 -11.709 -4.806 14.253 273 2HG2 VAL 38 2HG2 VAL 38 -10.932 -3.339 13.621 274 3HG2 VAL 38 3HG2 VAL 38 -12.577 -3.773 13.096 275 H THR 39 H THR 39 -13.786 -5.007 10.484 276 HA THR 39 HA THR 39 -14.178 -7.120 8.380 277 HB THR 39 HB THR 39 -16.117 -5.886 9.396 278 HG1 THR 39 HG1 THR 39 -15.719 -5.455 6.616 279 1HG2 THR 39 2HG2 THR 39 -15.017 -3.459 7.810 280 2HG2 THR 39 3HG2 THR 39 -16.599 -3.526 8.621 281 3HG2 THR 39 1HG2 THR 39 -15.107 -3.593 9.582 282 H GLU 40 H GLU 40 -14.194 -6.526 6.075 283 HA GLU 40 HA GLU 40 -11.893 -4.901 5.054 284 1HB GLU 40 1HB GLU 40 -14.182 -5.941 3.348 285 2HB GLU 40 2HB GLU 40 -12.582 -5.499 2.836 286 1HG GLU 40 1HG GLU 40 -11.595 -7.556 3.675 287 2HG GLU 40 2HG GLU 40 -12.924 -7.878 4.774 288 H GLU 41 H GLU 41 -15.317 -4.223 5.649 289 HA GLU 41 HA GLU 41 -15.407 -1.567 4.592 290 1HB GLU 41 1HB GLU 41 -16.910 -3.035 6.718 291 2HB GLU 41 2HB GLU 41 -17.037 -1.304 6.794 292 1HG GLU 41 1HG GLU 41 -18.046 -1.201 4.505 293 2HG GLU 41 2HG GLU 41 -17.722 -2.902 4.223 294 H ASP 42 H ASP 42 -13.754 -2.537 7.551 295 HA ASP 42 HA ASP 42 -12.934 0.244 8.203 296 1HB ASP 42 1HB ASP 42 -12.233 -2.538 9.284 297 2HB ASP 42 2HB ASP 42 -11.332 -1.132 9.833 298 H ILE 43 H ILE 43 -11.376 -2.404 6.467 299 HA ILE 43 HA ILE 43 -8.879 -0.938 5.668 300 HB ILE 43 HB ILE 43 -10.316 -3.381 4.562 301 1HG1 ILE 43 1HG1 ILE 43 -7.957 -4.425 4.815 302 2HG1 ILE 43 2HG1 ILE 43 -7.438 -2.955 5.595 303 1HG2 ILE 43 1HG2 ILE 43 -9.603 -2.121 2.492 304 2HG2 ILE 43 2HG2 ILE 43 -7.953 -1.961 3.125 305 3HG2 ILE 43 3HG2 ILE 43 -8.608 -3.557 2.684 306 1HD1 ILE 43 1HD1 ILE 43 -9.141 -3.243 7.445 307 2HD1 ILE 43 2HD1 ILE 43 -9.589 -4.826 6.759 308 3HD1 ILE 43 3HD1 ILE 43 -7.939 -4.550 7.355 309 H GLU 44 H GLU 44 -12.227 -1.030 4.602 310 HA GLU 44 HA GLU 44 -11.860 0.747 2.214 311 1HB GLU 44 1HB GLU 44 -14.128 -0.677 3.490 312 2HB GLU 44 2HB GLU 44 -14.578 0.874 2.848 313 1HG GLU 44 1HG GLU 44 -12.979 -0.701 0.855 314 2HG GLU 44 2HG GLU 44 -14.400 -1.579 1.393 315 H ASP 45 H ASP 45 -12.479 1.246 5.611 316 HA ASP 45 HA ASP 45 -13.131 4.174 5.494 317 1HB ASP 45 1HB ASP 45 -12.414 2.185 7.709 318 2HB ASP 45 2HB ASP 45 -12.371 3.909 8.052 319 H LEU 46 H LEU 46 -10.165 2.343 6.283 320 HA LEU 46 HA LEU 46 -8.243 4.592 6.431 321 1HB LEU 46 1HB LEU 46 -7.800 2.270 7.199 322 2HB LEU 46 2HB LEU 46 -7.829 1.671 5.557 323 HG LEU 46 HG LEU 46 -5.812 3.626 5.369 324 1HD1 LEU 46 1HD1 LEU 46 -6.150 3.523 8.117 325 2HD1 LEU 46 2HD1 LEU 46 -4.945 2.226 7.874 326 3HD1 LEU 46 3HD1 LEU 46 -4.593 3.865 7.307 327 1HD2 LEU 46 1HD2 LEU 46 -5.916 0.636 5.551 328 2HD2 LEU 46 2HD2 LEU 46 -5.005 1.665 4.407 329 3HD2 LEU 46 3HD2 LEU 46 -4.362 1.315 6.040 330 H MET 47 H MET 47 -9.048 2.586 3.598 331 HA MET 47 HA MET 47 -7.053 4.093 1.955 332 1HB MET 47 1HB MET 47 -8.092 1.417 2.029 333 2HB MET 47 2HB MET 47 -8.531 2.049 0.451 334 1HG MET 47 1HG MET 47 -5.655 1.936 1.562 335 2HG MET 47 2HG MET 47 -6.343 0.951 0.259 336 1HE MET 47 1HE MET 47 -4.457 1.477 -1.276 337 2HE MET 47 2HE MET 47 -6.034 1.451 -2.117 338 3HE MET 47 3HE MET 47 -4.828 2.700 -2.540 339 H LYS 48 H LYS 48 -10.531 4.319 2.257 340 HA LYS 48 HA LYS 48 -10.618 6.203 -0.108 341 1HB LYS 48 1HB LYS 48 -12.445 4.532 1.315 342 2HB LYS 48 2HB LYS 48 -13.040 6.133 1.625 343 1HG LYS 48 1HG LYS 48 -14.211 5.326 -0.376 344 2HG LYS 48 2HG LYS 48 -13.101 6.538 -0.931 345 1HD LYS 48 1HD LYS 48 -11.683 5.100 -2.059 346 2HD LYS 48 2HD LYS 48 -11.918 3.737 -1.016 347 1HE LYS 48 1HE LYS 48 -14.486 3.931 -2.209 348 2HE LYS 48 2HE LYS 48 -13.482 4.619 -3.473 349 1HZ LYS 48 1HZ LYS 48 -11.951 2.430 -2.931 350 2HZ LYS 48 2HZ LYS 48 -13.434 1.796 -2.553 351 3HZ LYS 48 3HZ LYS 48 -13.100 2.425 -4.022 352 H ASP 49 H ASP 49 -10.091 6.380 3.317 353 HA ASP 49 HA ASP 49 -10.157 9.396 3.481 354 1HB ASP 49 1HB ASP 49 -10.286 7.821 5.515 355 2HB ASP 49 2HB ASP 49 -8.582 7.453 5.286 356 H SER 50 H SER 50 -7.288 7.189 3.478 357 HA SER 50 HA SER 50 -5.424 9.490 3.057 358 1HB SER 50 1HB SER 50 -4.656 6.540 2.687 359 2HB SER 50 2HB SER 50 -3.650 7.870 3.254 360 HG SER 50 HG SER 50 -4.479 6.352 4.866 361 H ASP 51 H ASP 51 -6.848 7.002 0.882 362 HA ASP 51 HA ASP 51 -5.753 8.062 -1.587 363 1HB ASP 51 1HB ASP 51 -7.043 5.892 -1.276 364 2HB ASP 51 2HB ASP 51 -8.539 6.806 -1.144 365 H LYS 52 H LYS 52 -6.178 9.722 -2.900 366 HA LYS 52 HA LYS 52 -8.257 11.807 -2.062 367 1HB LYS 52 1HB LYS 52 -5.747 12.660 -3.523 368 2HB LYS 52 2HB LYS 52 -6.767 13.626 -2.504 369 1HG LYS 52 1HG LYS 52 -5.005 13.380 -0.965 370 2HG LYS 52 2HG LYS 52 -5.788 11.879 -0.584 371 1HD LYS 52 1HD LYS 52 -3.855 10.822 -1.007 372 2HD LYS 52 2HD LYS 52 -4.207 10.953 -2.698 373 1HE LYS 52 1HE LYS 52 -2.193 12.517 -0.984 374 2HE LYS 52 2HE LYS 52 -1.976 11.794 -2.577 375 1HZ LYS 52 1HZ LYS 52 -3.526 13.602 -3.502 376 2HZ LYS 52 2HZ LYS 52 -3.616 14.337 -2.102 377 3HZ LYS 52 3HZ LYS 52 -2.162 14.257 -2.891 378 H ASN 53 H ASN 53 -6.172 11.501 -4.957 379 HA ASN 53 HA ASN 53 -8.353 12.219 -6.751 380 1HB ASN 53 1HB ASN 53 -6.672 12.313 -8.463 381 2HB ASN 53 2HB ASN 53 -5.808 12.680 -6.996 382 1HD2 ASN 53 1HD2 ASN 53 -4.599 9.563 -9.198 383 2HD2 ASN 53 2HD2 ASN 53 -5.980 10.636 -9.703 384 H ASN 54 H ASN 54 -8.205 9.325 -5.349 385 HA ASN 54 HA ASN 54 -8.926 7.080 -5.825 386 1HB ASN 54 1HB ASN 54 -10.543 8.890 -7.726 387 2HB ASN 54 2HB ASN 54 -10.775 7.165 -7.782 388 1HD2 ASN 54 1HD2 ASN 54 -12.984 7.294 -5.052 389 2HD2 ASN 54 2HD2 ASN 54 -12.344 6.408 -6.507 390 H ASP 55 H ASP 55 -6.437 7.746 -7.095 391 HA ASP 55 HA ASP 55 -6.396 5.619 -9.285 392 1HB ASP 55 1HB ASP 55 -4.078 6.141 -9.614 393 2HB ASP 55 2HB ASP 55 -4.871 7.694 -9.391 394 H GLY 56 H GLY 56 -7.401 3.972 -7.833 395 1HA GLY 56 1HA GLY 56 -6.869 3.677 -4.974 396 2HA GLY 56 2HA GLY 56 -7.563 2.416 -6.001 397 H ARG 57 H ARG 57 -5.313 2.029 -7.728 398 HA ARG 57 HA ARG 57 -3.690 0.198 -6.072 399 1HB ARG 57 1HB ARG 57 -3.222 0.902 -9.024 400 2HB ARG 57 2HB ARG 57 -2.762 -0.581 -8.189 401 1HG ARG 57 1HG ARG 57 -4.965 -1.459 -8.227 402 2HG ARG 57 2HG ARG 57 -5.729 0.127 -8.136 403 1HD ARG 57 1HD ARG 57 -4.186 -0.210 -10.689 404 2HD ARG 57 2HD ARG 57 -5.378 -1.489 -10.462 405 HE ARG 57 HE ARG 57 -7.048 0.536 -9.737 406 1HH1 ARG 57 2HH1 ARG 57 -4.945 0.442 -12.489 407 2HH1 ARG 57 1HH1 ARG 57 -6.012 1.630 -13.405 408 1HH2 ARG 57 1HH2 ARG 57 -8.197 1.789 -10.775 409 2HH2 ARG 57 2HH2 ARG 57 -7.825 2.287 -12.498 410 H ILE 58 H ILE 58 -1.768 0.397 -5.152 411 HA ILE 58 HA ILE 58 -0.602 3.203 -5.135 412 HB ILE 58 HB ILE 58 -0.634 0.998 -3.018 413 1HG1 ILE 58 1HG1 ILE 58 -1.870 3.835 -3.053 414 2HG1 ILE 58 2HG1 ILE 58 -2.746 2.337 -3.190 415 1HG2 ILE 58 1HG2 ILE 58 1.612 2.159 -2.862 416 2HG2 ILE 58 2HG2 ILE 58 0.809 3.739 -2.773 417 3HG2 ILE 58 3HG2 ILE 58 0.617 2.551 -1.464 418 1HD1 ILE 58 1HD1 ILE 58 -2.060 1.629 -0.854 419 2HD1 ILE 58 2HD1 ILE 58 -1.270 3.212 -0.636 420 3HD1 ILE 58 3HD1 ILE 58 -3.024 3.125 -0.906 421 H ASP 59 H ASP 59 1.360 3.631 -5.890 422 HA ASP 59 HA ASP 59 3.491 1.459 -6.071 423 1HB ASP 59 1HB ASP 59 4.671 3.028 -7.613 424 2HB ASP 59 2HB ASP 59 3.025 2.711 -8.145 425 H PHE 60 H PHE 60 5.806 2.879 -5.931 426 HA PHE 60 HA PHE 60 6.286 2.606 -3.053 427 1HB PHE 60 1HB PHE 60 7.906 2.020 -4.942 428 2HB PHE 60 2HB PHE 60 8.206 3.708 -5.194 429 HD1 PHE 60 HD1 PHE 60 9.038 5.087 -2.959 430 HD2 PHE 60 HD2 PHE 60 9.385 0.839 -3.494 431 HE1 PHE 60 HE1 PHE 60 10.879 5.020 -1.316 432 HE2 PHE 60 HE2 PHE 60 11.237 0.786 -1.888 433 HZ PHE 60 HZ PHE 60 11.981 2.868 -0.776 434 H ASP 61 H ASP 61 6.088 5.518 -5.069 435 HA ASP 61 HA ASP 61 6.717 7.633 -3.158 436 1HB ASP 61 1HB ASP 61 4.381 7.857 -5.223 437 2HB ASP 61 2HB ASP 61 5.685 8.947 -4.818 438 H GLU 62 H GLU 62 3.433 6.740 -4.048 439 HA GLU 62 HA GLU 62 1.887 7.589 -1.763 440 1HB GLU 62 1HB GLU 62 1.292 4.970 -3.184 441 2HB GLU 62 2HB GLU 62 0.174 6.044 -2.400 442 1HG GLU 62 1HG GLU 62 1.723 6.897 -4.945 443 2HG GLU 62 2HG GLU 62 0.196 6.039 -5.028 444 H PHE 63 H PHE 63 4.062 4.773 -1.857 445 HA PHE 63 HA PHE 63 3.077 3.423 0.634 446 1HB PHE 63 1HB PHE 63 4.510 2.375 -1.241 447 2HB PHE 63 2HB PHE 63 5.861 3.296 -0.672 448 HD1 PHE 63 HD1 PHE 63 3.320 1.000 1.045 449 HD2 PHE 63 HD2 PHE 63 7.458 1.976 0.380 450 HE1 PHE 63 HE1 PHE 63 4.007 -0.732 2.659 451 HE2 PHE 63 HE2 PHE 63 8.118 0.260 1.990 452 HZ PHE 63 HZ PHE 63 6.402 -1.065 3.176 453 H LEU 64 H LEU 64 5.731 5.702 -0.056 454 HA LEU 64 HA LEU 64 6.587 6.152 2.705 455 1HB LEU 64 1HB LEU 64 6.875 7.914 0.214 456 2HB LEU 64 2HB LEU 64 7.620 8.322 1.739 457 HG LEU 64 HG LEU 64 8.208 5.658 0.323 458 1HD1 LEU 64 1HD1 LEU 64 9.644 8.377 -0.037 459 2HD1 LEU 64 2HD1 LEU 64 10.290 6.804 -0.576 460 3HD1 LEU 64 3HD1 LEU 64 8.784 7.412 -1.269 461 1HD2 LEU 64 1HD2 LEU 64 9.762 7.256 2.489 462 2HD2 LEU 64 2HD2 LEU 64 8.961 5.671 2.694 463 3HD2 LEU 64 3HD2 LEU 64 10.382 5.811 1.650 464 H LYS 65 H LYS 65 4.164 7.939 0.796 465 HA LYS 65 HA LYS 65 3.380 9.735 3.064 466 1HB LYS 65 1HB LYS 65 1.787 9.202 0.523 467 2HB LYS 65 2HB LYS 65 1.988 10.725 1.368 468 1HG LYS 65 1HG LYS 65 4.398 10.819 0.467 469 2HG LYS 65 2HG LYS 65 4.128 9.258 -0.331 470 1HD LYS 65 1HD LYS 65 3.696 10.895 -2.023 471 2HD LYS 65 2HD LYS 65 2.111 10.253 -1.580 472 1HE LYS 65 1HE LYS 65 1.946 12.706 -1.902 473 2HE LYS 65 2HE LYS 65 1.745 12.372 -0.173 474 1HZ LYS 65 1HZ LYS 65 4.395 12.702 -0.095 475 2HZ LYS 65 2HZ LYS 65 4.196 13.555 -1.493 476 3HZ LYS 65 3HZ LYS 65 3.456 14.007 -0.113 477 H MET 66 H MET 66 2.398 6.528 2.009 478 HA MET 66 HA MET 66 0.051 6.353 3.799 479 1HB MET 66 1HB MET 66 -0.085 4.864 2.008 480 2HB MET 66 2HB MET 66 1.627 4.500 2.016 481 1HG MET 66 1HG MET 66 1.465 2.749 3.558 482 2HG MET 66 2HG MET 66 0.074 3.444 4.411 483 1HE MET 66 1HE MET 66 1.174 2.226 0.786 484 2HE MET 66 2HE MET 66 -0.433 1.995 0.035 485 3HE MET 66 3HE MET 66 0.084 3.628 0.554 486 H MET 67 H MET 67 2.974 4.262 4.101 487 HA MET 67 HA MET 67 3.246 3.753 6.856 488 1HB MET 67 1HB MET 67 5.096 3.050 5.529 489 2HB MET 67 2HB MET 67 5.305 4.623 4.785 490 1HG MET 67 1HG MET 67 6.320 5.592 6.819 491 2HG MET 67 2HG MET 67 5.980 4.124 7.757 492 1HE MET 67 1HE MET 67 7.567 2.497 8.204 493 2HE MET 67 2HE MET 67 6.995 1.561 6.790 494 3HE MET 67 3HE MET 67 8.753 1.770 7.076 495 H GLU 68 H GLU 68 3.936 6.973 5.379 496 HA GLU 68 HA GLU 68 3.929 8.317 8.014 497 1HB GLU 68 1HB GLU 68 5.250 9.041 6.013 498 2HB GLU 68 2HB GLU 68 3.795 9.579 5.231 499 1HG GLU 68 1HG GLU 68 3.488 11.431 6.845 500 2HG GLU 68 2HG GLU 68 4.685 10.778 7.948 501 H GLY 69 H GLY 69 1.859 9.751 5.573 502 1HA GLY 69 1HA GLY 69 -0.589 10.079 5.658 503 2HA GLY 69 2HA GLY 69 -0.604 9.429 7.302 504 H VAL 70 H VAL 70 -1.858 11.907 6.179 505 HA VAL 70 HA VAL 70 -0.108 14.205 7.234 506 HB VAL 70 HB VAL 70 -1.198 13.980 4.703 507 1HG1 VAL 70 1HG1 VAL 70 -3.130 15.816 6.295 508 2HG1 VAL 70 2HG1 VAL 70 -3.020 15.745 4.517 509 3HG1 VAL 70 3HG1 VAL 70 -3.572 14.331 5.418 510 1HG2 VAL 70 1HG2 VAL 70 0.592 15.627 5.392 511 2HG2 VAL 70 2HG2 VAL 70 -0.637 16.407 4.409 512 3HG2 VAL 70 3HG2 VAL 70 -0.622 16.658 6.180 513 H GLN 71 H GLN 71 -1.930 16.105 7.715 514 HA GLN 71 HA GLN 71 -4.390 15.121 9.107 515 1HB GLN 71 1HB GLN 71 -3.808 16.058 11.364 516 2HB GLN 71 2HB GLN 71 -2.866 14.645 10.891 517 1HG GLN 71 1HG GLN 71 -1.044 16.419 10.070 518 2HG GLN 71 2HG GLN 71 -1.936 17.604 11.006 519 1HE2 GLN 71 1HE2 GLN 71 -0.588 16.438 14.083 520 2HE2 GLN 71 2HE2 GLN 71 -1.899 17.448 13.258 521 1HN NH2 72 1HN NH2 72 -3.391 17.140 6.909 522 2HN NH2 72 2HN NH2 72 -4.209 18.671 7.321 No H/Q in entry = 522
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