NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
10919 | 1qly | cing | recoord | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LEU 1 H1 LEU 1 39.715 50.056 -37.266 2 H2 LEU 1 H2 LEU 1 40.759 48.736 -37.035 3 H3 LEU 1 H3 LEU 1 39.112 48.600 -36.640 4 HA LEU 1 HA LEU 1 39.377 49.508 -34.638 5 1HB LEU 1 1HB LEU 1 41.216 47.944 -34.575 6 2HB LEU 1 2HB LEU 1 42.261 49.061 -35.454 7 HG LEU 1 HG LEU 1 42.027 50.684 -33.559 8 1HD1 LEU 1 1HD1 LEU 1 40.005 48.812 -32.788 9 2HD1 LEU 1 2HD1 LEU 1 41.240 48.836 -31.529 10 3HD1 LEU 1 3HD1 LEU 1 40.438 50.333 -32.007 11 1HD2 LEU 1 1HD2 LEU 1 43.662 48.465 -33.784 12 2HD2 LEU 1 2HD2 LEU 1 43.876 49.767 -32.614 13 3HD2 LEU 1 3HD2 LEU 1 43.013 48.299 -32.153 14 H LYS 2 H LYS 2 42.079 50.996 -36.470 15 HA LYS 2 HA LYS 2 41.643 53.542 -35.086 16 1HB LYS 2 2HB LYS 2 43.559 54.327 -36.355 17 2HB LYS 2 1HB LYS 2 43.462 52.935 -37.435 18 1HG LYS 2 1HG LYS 2 44.497 53.115 -34.651 19 2HG LYS 2 2HG LYS 2 43.611 51.648 -35.067 20 1HD LYS 2 1HD LYS 2 45.108 51.620 -37.196 21 2HD LYS 2 2HD LYS 2 46.141 52.729 -36.293 22 1HE LYS 2 1HE LYS 2 46.636 51.139 -34.649 23 2HE LYS 2 2HE LYS 2 45.201 50.179 -35.008 24 1HZ LYS 2 1HZ LYS 2 47.343 50.527 -37.008 25 2HZ LYS 2 2HZ LYS 2 47.452 49.326 -35.816 26 3HZ LYS 2 3HZ LYS 2 46.159 49.313 -36.918 27 H LYS 3 H LYS 3 39.873 54.701 -35.718 28 HA LYS 3 HA LYS 3 39.536 55.188 -38.641 29 1HB LYS 3 1HB LYS 3 37.672 53.861 -36.824 30 2HB LYS 3 2HB LYS 3 36.952 55.265 -37.611 31 1HG LYS 3 1HG LYS 3 37.432 54.408 -39.791 32 2HG LYS 3 2HG LYS 3 38.484 53.151 -39.138 33 1HD LYS 3 1HD LYS 3 36.702 51.868 -38.366 34 2HD LYS 3 2HD LYS 3 35.620 53.256 -38.253 35 1HE LYS 3 1HE LYS 3 36.295 53.136 -40.960 36 2HE LYS 3 2HE LYS 3 36.071 51.450 -40.495 37 1HZ LYS 3 1HZ LYS 3 33.983 52.469 -39.298 38 2HZ LYS 3 2HZ LYS 3 34.145 53.650 -40.508 39 3HZ LYS 3 3HZ LYS 3 33.932 52.019 -40.933 40 H VAL 4 H VAL 4 40.838 57.105 -37.449 41 HA VAL 4 HA VAL 4 39.405 58.946 -35.809 42 HB VAL 4 HB VAL 4 41.873 59.038 -36.203 43 1HG1 VAL 4 1HG1 VAL 4 41.571 58.633 -38.729 44 2HG1 VAL 4 2HG1 VAL 4 41.197 60.353 -38.836 45 3HG1 VAL 4 3HG1 VAL 4 42.776 59.833 -38.259 46 1HG2 VAL 4 1HG2 VAL 4 40.463 61.033 -35.444 47 2HG2 VAL 4 2HG2 VAL 4 42.036 61.416 -36.136 48 3HG2 VAL 4 3HG2 VAL 4 40.575 61.612 -37.103 49 H VAL 5 H VAL 5 37.511 59.935 -36.419 50 HA VAL 5 HA VAL 5 36.938 60.336 -39.265 51 HB VAL 5 HB VAL 5 35.119 59.435 -38.050 52 1HG1 VAL 5 1HG1 VAL 5 36.205 61.165 -35.977 53 2HG1 VAL 5 2HG1 VAL 5 34.450 61.293 -36.080 54 3HG1 VAL 5 3HG1 VAL 5 35.206 59.722 -35.817 55 1HG2 VAL 5 1HG2 VAL 5 34.520 61.282 -39.600 56 2HG2 VAL 5 2HG2 VAL 5 33.406 61.180 -38.237 57 3HG2 VAL 5 3HG2 VAL 5 34.656 62.424 -38.262 58 H ALA 6 H ALA 6 37.040 62.266 -40.303 59 HA ALA 6 HA ALA 6 38.396 64.505 -39.305 60 1HB ALA 6 3HB ALA 6 38.050 64.400 -41.657 61 2HB ALA 6 2HB ALA 6 37.074 65.772 -41.132 62 3HB ALA 6 1HB ALA 6 36.305 64.224 -41.476 63 H LEU 7 H LEU 7 37.272 66.779 -39.250 64 HA LEU 7 HA LEU 7 34.688 66.750 -37.797 65 1HB LEU 7 1HB LEU 7 37.149 66.895 -36.431 66 2HB LEU 7 2HB LEU 7 36.565 68.550 -36.501 67 HG LEU 7 HG LEU 7 35.806 67.178 -34.494 68 1HD1 LEU 7 1HD1 LEU 7 34.345 68.968 -36.241 69 2HD1 LEU 7 2HD1 LEU 7 33.236 67.869 -35.421 70 3HD1 LEU 7 3HD1 LEU 7 34.330 68.882 -34.479 71 1HD2 LEU 7 1HD2 LEU 7 35.317 65.184 -36.143 72 2HD2 LEU 7 2HD2 LEU 7 34.263 65.448 -34.754 73 3HD2 LEU 7 3HD2 LEU 7 33.766 65.997 -36.354 74 H TYR 8 H TYR 8 37.399 68.945 -38.576 75 HA TYR 8 HA TYR 8 35.390 70.776 -39.818 76 1HB TYR 8 2HB TYR 8 36.588 72.647 -38.983 77 2HB TYR 8 1HB TYR 8 37.999 71.664 -38.585 78 HD1 TYR 8 HD1 TYR 8 34.451 72.341 -37.683 79 HD2 TYR 8 HD2 TYR 8 38.145 70.491 -36.504 80 HE1 TYR 8 HE1 TYR 8 33.531 71.949 -35.416 81 HE2 TYR 8 HE2 TYR 8 37.223 70.098 -34.236 82 HH TYR 8 HH TYR 8 33.891 71.075 -33.413 83 H ASP 9 H ASP 9 35.888 71.551 -41.860 84 HA ASP 9 HA ASP 9 37.495 70.154 -43.626 85 1HB ASP 9 1HB ASP 9 35.946 71.824 -44.438 86 2HB ASP 9 2HB ASP 9 36.841 73.112 -43.631 87 H TYR 10 H TYR 10 39.654 69.792 -43.680 88 HA TYR 10 HA TYR 10 41.461 71.978 -42.743 89 1HB TYR 10 1HB TYR 10 41.076 69.742 -41.265 90 2HB TYR 10 2HB TYR 10 42.359 69.175 -42.335 91 HD1 TYR 10 HD1 TYR 10 41.513 72.348 -40.502 92 HD2 TYR 10 HD2 TYR 10 44.516 69.449 -41.519 93 HE1 TYR 10 HE1 TYR 10 43.184 73.613 -39.174 94 HE2 TYR 10 HE2 TYR 10 46.186 70.713 -40.190 95 HH TYR 10 HH TYR 10 46.589 72.776 -39.230 96 H MET 11 H MET 11 42.542 72.596 -44.560 97 HA MET 11 HA MET 11 42.918 70.764 -46.788 98 1HB MET 11 1HB MET 11 43.658 73.634 -46.247 99 2HB MET 11 2HB MET 11 44.295 72.792 -47.659 100 1HG MET 11 1HG MET 11 42.365 73.526 -48.637 101 2HG MET 11 2HG MET 11 41.669 72.116 -47.838 102 1HE MET 11 1HE MET 11 42.842 75.623 -47.435 103 2HE MET 11 2HE MET 11 41.734 76.428 -46.315 104 3HE MET 11 3HE MET 11 42.953 75.312 -45.705 105 1HB PRO 12 1HB PRO 12 48.049 69.162 -48.311 106 2HB PRO 12 2HB PRO 12 46.839 68.034 -47.674 107 1HG PRO 12 2HG PRO 12 45.576 68.711 -49.486 108 2HG PRO 12 1HG PRO 12 46.502 70.208 -49.688 109 1HD PRO 12 1HD PRO 12 44.755 71.287 -48.655 110 2HD PRO 12 2HD PRO 12 44.015 69.748 -48.165 111 H MET 13 H MET 13 48.769 70.395 -45.069 112 HA MET 13 HA MET 13 49.869 72.670 -46.642 113 1HB MET 13 1HB MET 13 50.141 73.975 -44.538 114 2HB MET 13 2HB MET 13 48.445 73.683 -44.922 115 1HG MET 13 1HG MET 13 48.161 72.640 -42.951 116 2HG MET 13 2HG MET 13 49.414 71.474 -43.376 117 1HE MET 13 1HE MET 13 49.411 75.335 -42.893 118 2HE MET 13 2HE MET 13 48.436 74.708 -41.566 119 3HE MET 13 3HE MET 13 49.974 75.497 -41.224 120 H ASN 14 H ASN 14 50.614 69.795 -45.966 121 HA ASN 14 HA ASN 14 53.328 70.428 -44.885 122 1HB ASN 14 1HB ASN 14 51.532 68.075 -44.258 123 2HB ASN 14 2HB ASN 14 53.266 68.054 -43.938 124 2HD2 ASN 14 1HD2 ASN 14 50.969 68.079 -41.969 125 1HD2 ASN 14 2HD2 ASN 14 51.245 69.436 -40.987 126 H ALA 15 H ALA 15 51.562 67.760 -46.517 127 HA ALA 15 HA ALA 15 53.338 67.899 -48.821 128 1HB ALA 15 1HB ALA 15 54.678 66.693 -46.997 129 2HB ALA 15 2HB ALA 15 53.511 65.380 -47.158 130 3HB ALA 15 3HB ALA 15 54.511 65.846 -48.535 131 H ASN 16 H ASN 16 51.381 65.437 -47.085 132 HA ASN 16 HA ASN 16 49.639 65.311 -49.505 133 1HB ASN 16 1HB ASN 16 50.878 62.978 -48.020 134 2HB ASN 16 2HB ASN 16 49.540 62.807 -49.158 135 2HD2 ASN 16 1HD2 ASN 16 50.886 61.593 -50.687 136 1HD2 ASN 16 2HD2 ASN 16 52.092 62.365 -51.598 137 H ASP 17 H ASP 17 49.448 66.449 -46.674 138 HA ASP 17 HA ASP 17 47.805 65.027 -44.955 139 1HB ASP 17 1HB ASP 17 48.382 67.782 -45.424 140 2HB ASP 17 2HB ASP 17 46.636 67.620 -45.229 141 H LEU 18 H LEU 18 45.741 64.185 -45.045 142 HA LEU 18 HA LEU 18 44.328 64.342 -47.609 143 1HB LEU 18 1HB LEU 18 44.138 62.790 -45.095 144 2HB LEU 18 2HB LEU 18 42.597 63.113 -45.874 145 HG LEU 18 HG LEU 18 42.984 61.544 -47.451 146 1HD1 LEU 18 1HD1 LEU 18 45.578 63.002 -47.805 147 2HD1 LEU 18 2HD1 LEU 18 45.421 61.390 -48.498 148 3HD1 LEU 18 3HD1 LEU 18 44.311 62.671 -48.983 149 1HD2 LEU 18 1HD2 LEU 18 45.397 61.051 -45.700 150 2HD2 LEU 18 2HD2 LEU 18 43.808 60.300 -45.562 151 3HD2 LEU 18 3HD2 LEU 18 44.842 59.929 -46.937 152 H GLN 19 H GLN 19 43.201 66.139 -48.054 153 HA GLN 19 HA GLN 19 42.372 68.122 -46.253 154 1HB GLN 19 1HB GLN 19 42.253 68.630 -48.581 155 2HB GLN 19 2HB GLN 19 41.201 67.251 -48.902 156 1HG GLN 19 1HG GLN 19 40.031 68.975 -46.886 157 2HG GLN 19 2HG GLN 19 40.398 69.890 -48.349 158 2HE2 GLN 19 1HE2 GLN 19 37.695 69.421 -47.670 159 1HE2 GLN 19 2HE2 GLN 19 37.022 68.323 -48.776 160 H LEU 20 H LEU 20 41.024 67.924 -44.526 161 HA LEU 20 HA LEU 20 39.322 65.637 -44.181 162 1HB LEU 20 1HB LEU 20 39.395 68.273 -42.709 163 2HB LEU 20 2HB LEU 20 38.416 66.896 -42.220 164 HG LEU 20 HG LEU 20 41.330 67.319 -41.986 165 1HD1 LEU 20 1HD1 LEU 20 39.277 65.622 -40.550 166 2HD1 LEU 20 2HD1 LEU 20 40.953 65.816 -40.038 167 3HD1 LEU 20 3HD1 LEU 20 39.865 67.205 -40.042 168 1HD2 LEU 20 1HD2 LEU 20 41.209 65.498 -43.703 169 2HD2 LEU 20 2HD2 LEU 20 41.900 64.952 -42.176 170 3HD2 LEU 20 3HD2 LEU 20 40.230 64.555 -42.582 171 H ARG 21 H ARG 21 37.053 65.541 -44.156 172 HA ARG 21 HA ARG 21 35.654 67.756 -45.580 173 1HB ARG 21 1HB ARG 21 36.190 65.568 -46.948 174 2HB ARG 21 2HB ARG 21 34.850 64.894 -46.020 175 1HG ARG 21 2HG ARG 21 33.966 67.423 -46.894 176 2HG ARG 21 1HG ARG 21 33.436 65.849 -47.490 177 1HD ARG 21 1HD ARG 21 34.793 67.809 -48.956 178 2HD ARG 21 2HD ARG 21 36.025 66.599 -48.596 179 HE ARG 21 HE ARG 21 33.418 65.765 -49.787 180 1HH1 ARG 21 1HH1 ARG 21 36.652 66.604 -50.406 181 2HH1 ARG 21 2HH1 ARG 21 36.960 65.269 -51.466 182 1HH2 ARG 21 1HH2 ARG 21 33.887 63.765 -50.895 183 2HH2 ARG 21 2HH2 ARG 21 35.394 63.662 -51.743 184 H LYS 22 H LYS 22 35.961 66.888 -42.779 185 HA LYS 22 HA LYS 22 34.666 66.306 -40.893 186 1HB LYS 22 2HB LYS 22 33.148 68.030 -40.443 187 2HB LYS 22 1HB LYS 22 32.616 68.131 -42.121 188 1HG LYS 22 1HG LYS 22 35.188 69.129 -40.904 189 2HG LYS 22 2HG LYS 22 35.030 68.875 -42.641 190 1HD LYS 22 1HD LYS 22 32.724 70.300 -41.635 191 2HD LYS 22 2HD LYS 22 34.203 71.146 -41.185 192 1HE LYS 22 1HE LYS 22 34.458 71.880 -43.294 193 2HE LYS 22 2HE LYS 22 34.453 70.220 -43.891 194 1HZ LYS 22 1HZ LYS 22 31.836 70.895 -43.193 195 2HZ LYS 22 2HZ LYS 22 32.448 72.164 -44.138 196 3HZ LYS 22 3HZ LYS 22 32.459 70.576 -44.742 197 H GLY 23 H GLY 23 33.955 64.151 -41.104 198 1HA GLY 23 1HA GLY 23 31.493 63.248 -40.932 199 2HA GLY 23 2HA GLY 23 31.425 63.724 -42.630 200 H ASP 24 H ASP 24 33.306 62.798 -43.989 201 HA ASP 24 HA ASP 24 33.233 59.961 -43.901 202 1HB ASP 24 1HB ASP 24 35.223 61.884 -45.137 203 2HB ASP 24 2HB ASP 24 35.343 60.136 -45.340 204 H GLU 25 H GLU 25 34.518 58.481 -42.760 205 HA GLU 25 HA GLU 25 36.178 59.673 -40.639 206 1HB GLU 25 1HB GLU 25 35.509 56.763 -41.188 207 2HB GLU 25 2HB GLU 25 36.299 57.385 -39.738 208 1HG GLU 25 2HG GLU 25 33.957 58.937 -40.103 209 2HG GLU 25 1HG GLU 25 34.272 57.751 -38.835 210 H TYR 26 H TYR 26 38.310 58.458 -40.170 211 HA TYR 26 HA TYR 26 39.717 57.904 -42.745 212 1HB TYR 26 1HB TYR 26 40.754 59.548 -40.420 213 2HB TYR 26 2HB TYR 26 41.643 59.178 -41.896 214 HD1 TYR 26 HD1 TYR 26 38.268 60.564 -40.903 215 HD2 TYR 26 HD2 TYR 26 41.643 60.784 -43.553 216 HE1 TYR 26 HE1 TYR 26 37.264 62.530 -42.048 217 HE2 TYR 26 HE2 TYR 26 40.630 62.742 -44.684 218 HH TYR 26 HH TYR 26 38.145 63.597 -44.983 219 H PHE 27 H PHE 27 41.208 56.235 -42.651 220 HA PHE 27 HA PHE 27 41.321 54.715 -40.089 221 1HB PHE 27 1HB PHE 27 40.682 53.791 -42.561 222 2HB PHE 27 2HB PHE 27 42.429 53.543 -42.589 223 HD1 PHE 27 HD1 PHE 27 43.521 52.050 -40.967 224 HD2 PHE 27 HD2 PHE 27 39.257 52.565 -41.020 225 HE1 PHE 27 HE1 PHE 27 43.260 50.037 -39.541 226 HE2 PHE 27 HE2 PHE 27 38.996 50.553 -39.594 227 HZ PHE 27 HZ PHE 27 40.998 49.289 -38.854 228 H ILE 28 H ILE 28 43.253 54.551 -39.032 229 HA ILE 28 HA ILE 28 45.461 56.152 -40.078 230 HB ILE 28 HB ILE 28 45.406 54.529 -37.539 231 1HG1 ILE 28 2HG1 ILE 28 44.792 56.875 -36.588 232 2HG1 ILE 28 1HG1 ILE 28 43.510 55.918 -37.326 233 1HG2 ILE 28 1HG2 ILE 28 47.009 56.892 -38.547 234 2HG2 ILE 28 2HG2 ILE 28 47.004 56.378 -36.860 235 3HG2 ILE 28 3HG2 ILE 28 47.614 55.295 -38.110 236 1HD1 ILE 28 1HD1 ILE 28 45.039 57.695 -39.157 237 2HD1 ILE 28 2HD1 ILE 28 43.315 57.322 -39.130 238 3HD1 ILE 28 3HD1 ILE 28 43.984 58.493 -37.995 239 H LEU 29 H LEU 29 46.321 55.047 -41.808 240 HA LEU 29 HA LEU 29 47.102 52.280 -41.724 241 1HB LEU 29 1HB LEU 29 47.881 54.653 -43.440 242 2HB LEU 29 2HB LEU 29 48.493 53.025 -43.728 243 HG LEU 29 HG LEU 29 46.601 53.251 -45.140 244 1HD1 LEU 29 1HD1 LEU 29 46.715 51.169 -43.686 245 2HD1 LEU 29 2HD1 LEU 29 45.486 51.923 -42.669 246 3HD1 LEU 29 3HD1 LEU 29 45.125 51.541 -44.352 247 1HD2 LEU 29 1HD2 LEU 29 45.716 55.282 -43.950 248 2HD2 LEU 29 2HD2 LEU 29 44.473 54.140 -44.453 249 3HD2 LEU 29 3HD2 LEU 29 44.985 54.195 -42.769 250 H GLU 30 H GLU 30 48.242 55.030 -40.142 251 HA GLU 30 HA GLU 30 50.461 53.736 -38.929 252 1HB GLU 30 1HB GLU 30 51.000 55.101 -41.493 253 2HB GLU 30 2HB GLU 30 52.050 55.605 -40.168 254 1HG GLU 30 1HG GLU 30 53.100 53.589 -40.065 255 2HG GLU 30 2HG GLU 30 51.608 52.691 -40.347 256 H GLU 31 H GLU 31 51.573 55.260 -37.438 257 HA GLU 31 HA GLU 31 50.158 57.884 -37.195 258 1HB GLU 31 1HB GLU 31 50.092 57.560 -34.737 259 2HB GLU 31 2HB GLU 31 49.169 56.315 -35.578 260 1HG GLU 31 1HG GLU 31 50.633 54.650 -35.008 261 2HG GLU 31 2HG GLU 31 52.038 55.712 -35.110 262 H SER 32 H SER 32 51.523 58.751 -34.889 263 HA SER 32 HA SER 32 54.363 58.371 -35.025 264 1HB SER 32 1HB SER 32 53.161 60.546 -36.701 265 2HB SER 32 2HB SER 32 54.698 60.848 -35.895 266 HG SER 32 HG SER 32 54.783 59.883 -38.064 267 H ASN 33 H ASN 33 55.303 60.786 -34.120 268 HA ASN 33 HA ASN 33 53.904 61.011 -31.529 269 1HB ASN 33 2HB ASN 33 56.387 60.793 -31.618 270 2HB ASN 33 1HB ASN 33 55.871 62.276 -30.815 271 2HD2 ASN 33 1HD2 ASN 33 56.670 64.224 -31.671 272 1HD2 ASN 33 2HD2 ASN 33 57.482 64.358 -33.156 273 H LEU 34 H LEU 34 53.304 62.341 -34.391 274 HA LEU 34 HA LEU 34 52.857 65.088 -33.298 275 1HB LEU 34 1HB LEU 34 52.467 64.646 -36.197 276 2HB LEU 34 2HB LEU 34 53.309 65.950 -35.362 277 HG LEU 34 HG LEU 34 54.401 63.148 -35.753 278 1HD1 LEU 34 1HD1 LEU 34 54.231 64.559 -37.836 279 2HD1 LEU 34 2HD1 LEU 34 55.266 65.750 -37.046 280 3HD1 LEU 34 3HD1 LEU 34 55.884 64.134 -37.391 281 1HD2 LEU 34 1HD2 LEU 34 55.074 64.577 -33.692 282 2HD2 LEU 34 2HD2 LEU 34 56.369 63.913 -34.688 283 3HD2 LEU 34 3HD2 LEU 34 55.906 65.607 -34.857 284 1HB PRO 35 1HB PRO 35 47.716 66.874 -35.079 285 2HB PRO 35 2HB PRO 35 48.244 66.867 -33.387 286 1HG PRO 35 2HG PRO 35 49.874 68.334 -34.110 287 2HG PRO 35 1HG PRO 35 49.696 67.838 -35.802 288 1HD PRO 35 1HD PRO 35 51.595 66.588 -35.528 289 2HD PRO 35 2HD PRO 35 51.589 66.850 -33.771 290 H TRP 36 H TRP 36 50.112 65.429 -36.797 291 HA TRP 36 HA TRP 36 47.897 64.337 -38.391 292 1HB TRP 36 1HB TRP 36 50.668 65.195 -39.274 293 2HB TRP 36 2HB TRP 36 49.274 64.916 -40.320 294 HD1 TRP 36 HD1 TRP 36 47.043 66.519 -39.625 295 HE1 TRP 36 HE1 TRP 36 47.055 69.036 -39.067 296 HE3 TRP 36 HE3 TRP 36 51.965 67.130 -38.404 297 HZ2 TRP 36 HZ2 TRP 36 48.907 71.043 -38.213 298 HZ3 TRP 36 HZ3 TRP 36 52.825 69.352 -37.723 299 HH2 TRP 36 HH2 TRP 36 51.303 71.308 -37.626 300 H TRP 37 H TRP 37 47.826 62.226 -39.182 301 HA TRP 37 HA TRP 37 50.275 60.571 -38.661 302 1HB TRP 37 1HB TRP 37 47.344 59.849 -38.432 303 2HB TRP 37 2HB TRP 37 48.626 58.641 -38.458 304 HD1 TRP 37 HD1 TRP 37 50.497 60.990 -36.817 305 HE1 TRP 37 HE1 TRP 37 50.241 60.968 -34.252 306 HE3 TRP 37 HE3 TRP 37 46.112 58.408 -36.393 307 HZ2 TRP 37 HZ2 TRP 37 48.417 59.982 -32.281 308 HZ3 TRP 37 HZ3 TRP 37 45.140 57.940 -34.162 309 HH2 TRP 37 HH2 TRP 37 46.285 58.724 -32.107 310 H ARG 38 H ARG 38 49.299 58.285 -40.074 311 HA ARG 38 HA ARG 38 49.267 59.358 -42.864 312 1HB ARG 38 1HB ARG 38 51.227 57.785 -41.704 313 2HB ARG 38 2HB ARG 38 50.205 56.590 -42.502 314 1HG ARG 38 1HG ARG 38 50.371 57.851 -44.615 315 2HG ARG 38 2HG ARG 38 51.393 59.049 -43.820 316 1HD ARG 38 1HD ARG 38 53.227 57.728 -43.950 317 2HD ARG 38 2HD ARG 38 52.334 56.300 -43.427 318 HE ARG 38 HE ARG 38 51.923 55.766 -45.709 319 1HH1 ARG 38 1HH1 ARG 38 54.383 57.973 -45.452 320 2HH1 ARG 38 2HH1 ARG 38 54.235 58.620 -47.052 321 1HH2 ARG 38 1HH2 ARG 38 51.244 56.996 -47.718 322 2HH2 ARG 38 2HH2 ARG 38 52.458 58.066 -48.335 323 H ALA 39 H ALA 39 46.908 59.318 -42.655 324 HA ALA 39 HA ALA 39 45.788 56.548 -42.655 325 1HB ALA 39 3HB ALA 39 44.576 57.472 -40.954 326 2HB ALA 39 1HB ALA 39 44.923 59.118 -41.474 327 3HB ALA 39 2HB ALA 39 43.641 58.197 -42.258 328 H ARG 40 H ARG 40 43.774 56.339 -43.981 329 HA ARG 40 HA ARG 40 43.975 57.947 -46.498 330 1HB ARG 40 1HB ARG 40 44.562 55.617 -46.926 331 2HB ARG 40 2HB ARG 40 43.126 55.060 -46.068 332 1HG ARG 40 1HG ARG 40 41.722 56.289 -47.751 333 2HG ARG 40 2HG ARG 40 43.197 56.636 -48.654 334 1HD ARG 40 1HD ARG 40 42.920 54.646 -49.679 335 2HD ARG 40 2HD ARG 40 43.323 53.888 -48.139 336 HE ARG 40 HE ARG 40 40.509 54.652 -48.366 337 1HH1 ARG 40 1HH1 ARG 40 42.425 52.217 -47.340 338 2HH1 ARG 40 2HH1 ARG 40 41.547 50.918 -48.076 339 1HH2 ARG 40 1HH2 ARG 40 39.578 53.001 -50.027 340 2HH2 ARG 40 2HH2 ARG 40 39.936 51.362 -49.597 341 H ASP 41 H ASP 41 42.342 59.432 -46.323 342 HA ASP 41 HA ASP 41 40.068 59.233 -44.679 343 1HB ASP 41 2HB ASP 41 40.868 61.303 -45.834 344 2HB ASP 41 1HB ASP 41 39.129 61.055 -45.949 345 H LYS 42 H LYS 42 37.741 59.368 -45.774 346 HA LYS 42 HA LYS 42 37.212 56.705 -46.791 347 1HB LYS 42 1HB LYS 42 35.682 58.262 -45.359 348 2HB LYS 42 2HB LYS 42 35.224 58.963 -46.911 349 1HG LYS 42 1HG LYS 42 35.122 56.206 -47.350 350 2HG LYS 42 2HG LYS 42 34.436 56.415 -45.738 351 1HD LYS 42 1HD LYS 42 32.904 58.148 -46.624 352 2HD LYS 42 2HD LYS 42 33.571 57.899 -48.238 353 1HE LYS 42 1HE LYS 42 32.809 55.363 -47.078 354 2HE LYS 42 2HE LYS 42 31.445 56.482 -47.045 355 1HZ LYS 42 1HZ LYS 42 32.047 56.975 -49.438 356 2HZ LYS 42 2HZ LYS 42 33.028 55.589 -49.379 357 3HZ LYS 42 3HZ LYS 42 31.353 55.459 -49.129 358 H ASN 43 H ASN 43 38.237 59.546 -48.288 359 HA ASN 43 HA ASN 43 36.810 59.168 -50.811 360 1HB ASN 43 1HB ASN 43 37.926 61.344 -49.757 361 2HB ASN 43 2HB ASN 43 39.338 60.757 -50.637 362 2HD2 ASN 43 1HD2 ASN 43 37.825 59.545 -52.845 363 1HD2 ASN 43 2HD2 ASN 43 37.177 60.822 -53.756 364 H GLY 44 H GLY 44 39.052 57.314 -49.368 365 1HA GLY 44 1HA GLY 44 40.459 55.634 -50.205 366 2HA GLY 44 2HA GLY 44 39.832 56.005 -51.812 367 H GLN 45 H GLN 45 41.557 58.152 -49.535 368 HA GLN 45 HA GLN 45 43.790 58.271 -51.500 369 1HB GLN 45 1HB GLN 45 42.031 60.249 -51.513 370 2HB GLN 45 2HB GLN 45 42.898 60.752 -50.061 371 1HG GLN 45 1HG GLN 45 44.996 60.214 -51.688 372 2HG GLN 45 2HG GLN 45 43.804 60.717 -52.887 373 2HE2 GLN 45 1HE2 GLN 45 42.380 62.688 -51.470 374 1HE2 GLN 45 2HE2 GLN 45 43.423 63.971 -51.084 375 H GLU 46 H GLU 46 45.717 58.009 -50.485 376 HA GLU 46 HA GLU 46 45.742 57.909 -47.536 377 1HB GLU 46 2HB GLU 46 47.757 56.714 -47.745 378 2HB GLU 46 1HB GLU 46 48.131 57.437 -49.311 379 1HG GLU 46 1HG GLU 46 45.863 55.496 -48.754 380 2HG GLU 46 2HG GLU 46 46.238 56.213 -50.322 381 H GLY 47 H GLY 47 46.564 59.545 -46.301 382 1HA GLY 47 1HA GLY 47 48.617 61.341 -47.302 383 2HA GLY 47 2HA GLY 47 47.034 62.105 -47.216 384 H TYR 48 H TYR 48 48.401 63.441 -45.614 385 HA TYR 48 HA TYR 48 48.720 62.142 -42.990 386 1HB TYR 48 1HB TYR 48 49.235 65.013 -43.827 387 2HB TYR 48 2HB TYR 48 49.640 64.320 -42.261 388 HD1 TYR 48 HD1 TYR 48 50.136 61.597 -44.201 389 HD2 TYR 48 HD2 TYR 48 51.819 65.514 -43.666 390 HE1 TYR 48 HE1 TYR 48 52.298 60.794 -45.113 391 HE2 TYR 48 HE2 TYR 48 53.980 64.709 -44.577 392 HH TYR 48 HH TYR 48 55.133 62.290 -44.706 393 H ILE 49 H ILE 49 47.179 62.241 -41.424 394 HA ILE 49 HA ILE 49 44.940 64.170 -41.837 395 HB ILE 49 HB ILE 49 44.973 61.377 -40.780 396 1HG1 ILE 49 2HG1 ILE 49 43.629 62.740 -43.108 397 2HG1 ILE 49 1HG1 ILE 49 43.245 61.096 -42.589 398 1HG2 ILE 49 1HG2 ILE 49 43.265 63.534 -39.993 399 2HG2 ILE 49 2HG2 ILE 49 42.321 62.379 -40.934 400 3HG2 ILE 49 3HG2 ILE 49 43.188 61.844 -39.494 401 1HD1 ILE 49 1HD1 ILE 49 46.005 61.065 -42.692 402 2HD1 ILE 49 2HD1 ILE 49 44.939 60.466 -43.962 403 3HD1 ILE 49 3HD1 ILE 49 45.587 62.103 -44.056 404 1HB PRO 50 1HB PRO 50 44.216 67.541 -37.602 405 2HB PRO 50 2HB PRO 50 45.659 67.780 -38.603 406 1HG PRO 50 2HG PRO 50 44.145 68.012 -40.334 407 2HG PRO 50 1HG PRO 50 42.866 67.161 -39.451 408 1HD PRO 50 1HD PRO 50 43.362 65.329 -40.747 409 2HD PRO 50 2HD PRO 50 44.849 66.085 -41.357 410 H SER 51 H SER 51 45.684 65.105 -35.772 411 HA SER 51 HA SER 51 43.042 63.778 -35.373 412 1HB SER 51 1HB SER 51 45.706 63.495 -33.975 413 2HB SER 51 2HB SER 51 44.218 62.824 -33.314 414 HG SER 51 HG SER 51 45.794 61.785 -35.155 415 H ASN 52 H ASN 52 45.106 66.387 -34.309 416 HA ASN 52 HA ASN 52 44.174 67.055 -31.792 417 1HB ASN 52 1HB ASN 52 44.337 69.486 -32.573 418 2HB ASN 52 2HB ASN 52 45.779 68.502 -32.826 419 2HD2 ASN 52 1HD2 ASN 52 45.876 70.510 -34.523 420 1HD2 ASN 52 2HD2 ASN 52 45.304 70.124 -36.074 421 H TYR 53 H TYR 53 42.444 67.225 -34.836 422 HA TYR 53 HA TYR 53 40.029 68.181 -33.338 423 1HB TYR 53 1HB TYR 53 40.684 68.431 -36.294 424 2HB TYR 53 2HB TYR 53 39.189 68.979 -35.536 425 HD1 TYR 53 HD1 TYR 53 39.249 70.806 -33.825 426 HD2 TYR 53 HD2 TYR 53 42.714 69.695 -36.109 427 HE1 TYR 53 HE1 TYR 53 40.343 72.944 -33.206 428 HE2 TYR 53 HE2 TYR 53 43.808 71.833 -35.489 429 HH TYR 53 HH TYR 53 43.400 73.927 -34.641 430 H VAL 54 H VAL 54 39.235 67.082 -36.428 431 HA VAL 54 HA VAL 54 37.763 65.259 -36.912 432 HB VAL 54 HB VAL 54 39.100 63.287 -37.274 433 1HG1 VAL 54 1HG1 VAL 54 39.590 65.664 -38.365 434 2HG1 VAL 54 2HG1 VAL 54 41.150 65.411 -37.583 435 3HG1 VAL 54 3HG1 VAL 54 40.551 64.238 -38.758 436 1HG2 VAL 54 1HG2 VAL 54 40.904 64.561 -35.220 437 2HG2 VAL 54 2HG2 VAL 54 40.146 62.972 -35.160 438 3HG2 VAL 54 3HG2 VAL 54 41.457 63.288 -36.297 439 H THR 55 H THR 55 38.293 62.585 -35.794 440 HA THR 55 HA THR 55 37.634 62.719 -32.996 441 HB THR 55 HB THR 55 35.556 62.657 -35.090 442 HG1 THR 55 HG1 THR 55 34.461 63.785 -33.507 443 1HG2 THR 55 1HG2 THR 55 35.423 60.351 -34.048 444 2HG2 THR 55 2HG2 THR 55 35.104 61.146 -32.509 445 3HG2 THR 55 3HG2 THR 55 33.976 61.332 -33.849 446 H GLU 56 H GLU 56 36.712 60.253 -32.485 447 HA GLU 56 HA GLU 56 37.323 58.011 -32.438 448 1HB GLU 56 1HB GLU 56 37.696 58.551 -35.373 449 2HB GLU 56 2HB GLU 56 37.832 56.954 -34.655 450 1HG GLU 56 1HG GLU 56 35.396 58.508 -33.973 451 2HG GLU 56 2HG GLU 56 35.508 57.895 -35.623 452 H ALA 57 H ALA 57 39.590 57.192 -34.506 453 HA ALA 57 HA ALA 57 41.727 57.076 -32.757 454 1HB ALA 57 1HB ALA 57 41.556 57.259 -35.736 455 2HB ALA 57 2HB ALA 57 43.144 57.410 -34.987 456 3HB ALA 57 3HB ALA 57 42.181 55.955 -34.729 457 H GLU 58 H GLU 58 43.545 58.435 -32.304 458 HA GLU 58 HA GLU 58 44.080 60.962 -33.431 459 1HB GLU 58 1HB GLU 58 43.072 62.443 -31.645 460 2HB GLU 58 2HB GLU 58 41.892 61.703 -32.726 461 1HG GLU 58 1HG GLU 58 41.598 59.865 -31.030 462 2HG GLU 58 2HG GLU 58 42.625 60.788 -29.932 No H/Q in entry = 462 Start of MODEL 2 1 H1 LEU 1 H1 LEU 1 43.036 50.424 -38.895 2 H2 LEU 1 H2 LEU 1 44.355 49.410 -38.563 3 H3 LEU 1 H3 LEU 1 42.771 48.808 -38.440 4 HA LEU 1 HA LEU 1 43.255 49.174 -36.244 5 1HB LEU 1 1HB LEU 1 45.398 50.532 -37.195 6 2HB LEU 1 2HB LEU 1 44.427 51.880 -36.600 7 HG LEU 1 HG LEU 1 44.226 50.764 -34.404 8 1HD1 LEU 1 1HD1 LEU 1 45.337 48.549 -35.945 9 2HD1 LEU 1 2HD1 LEU 1 46.238 48.833 -34.456 10 3HD1 LEU 1 3HD1 LEU 1 44.503 48.523 -34.391 11 1HD2 LEU 1 1HD2 LEU 1 47.000 51.188 -35.535 12 2HD2 LEU 1 2HD2 LEU 1 46.043 52.304 -34.562 13 3HD2 LEU 1 3HD2 LEU 1 46.725 50.855 -33.825 14 H LYS 2 H LYS 2 43.049 51.979 -35.214 15 HA LYS 2 HA LYS 2 40.220 52.197 -35.111 16 1HB LYS 2 1HB LYS 2 42.498 54.034 -34.452 17 2HB LYS 2 2HB LYS 2 40.855 54.679 -34.460 18 1HG LYS 2 1HG LYS 2 41.194 52.088 -33.063 19 2HG LYS 2 2HG LYS 2 41.980 53.470 -32.298 20 1HD LYS 2 1HD LYS 2 39.216 53.934 -33.271 21 2HD LYS 2 2HD LYS 2 39.374 52.842 -31.895 22 1HE LYS 2 1HE LYS 2 41.106 54.927 -31.273 23 2HE LYS 2 2HE LYS 2 39.724 55.740 -32.007 24 1HZ LYS 2 1HZ LYS 2 39.169 53.620 -30.079 25 2HZ LYS 2 2HZ LYS 2 39.775 55.082 -29.466 26 3HZ LYS 2 3HZ LYS 2 38.335 55.073 -30.368 27 H LYS 3 H LYS 3 39.337 54.631 -35.759 28 HA LYS 3 HA LYS 3 40.121 55.163 -38.580 29 1HB LYS 3 1HB LYS 3 37.530 54.109 -37.601 30 2HB LYS 3 2HB LYS 3 37.418 55.450 -38.741 31 1HG LYS 3 1HG LYS 3 38.316 54.237 -40.471 32 2HG LYS 3 2HG LYS 3 39.345 53.281 -39.406 33 1HD LYS 3 1HD LYS 3 37.538 51.903 -40.387 34 2HD LYS 3 2HD LYS 3 37.388 52.008 -38.632 35 1HE LYS 3 1HE LYS 3 35.968 54.222 -39.579 36 2HE LYS 3 2HE LYS 3 35.545 52.922 -40.693 37 1HZ LYS 3 1HZ LYS 3 35.079 51.522 -38.724 38 2HZ LYS 3 2HZ LYS 3 35.318 52.883 -37.736 39 3HZ LYS 3 3HZ LYS 3 34.047 52.864 -38.858 40 H VAL 4 H VAL 4 41.039 57.146 -37.699 41 HA VAL 4 HA VAL 4 39.589 58.969 -36.047 42 HB VAL 4 HB VAL 4 42.032 59.140 -36.463 43 1HG1 VAL 4 1HG1 VAL 4 41.688 58.654 -38.984 44 2HG1 VAL 4 2HG1 VAL 4 41.342 60.378 -39.124 45 3HG1 VAL 4 3HG1 VAL 4 42.917 59.840 -38.543 46 1HG2 VAL 4 1HG2 VAL 4 40.756 61.096 -35.647 47 2HG2 VAL 4 2HG2 VAL 4 42.103 61.591 -36.672 48 3HG2 VAL 4 3HG2 VAL 4 40.460 61.586 -37.315 49 H VAL 5 H VAL 5 37.687 59.901 -36.618 50 HA VAL 5 HA VAL 5 37.039 60.324 -39.447 51 HB VAL 5 HB VAL 5 35.247 59.405 -38.198 52 1HG1 VAL 5 1HG1 VAL 5 36.384 61.128 -36.127 53 2HG1 VAL 5 2HG1 VAL 5 34.622 61.180 -36.160 54 3HG1 VAL 5 3HG1 VAL 5 35.456 59.640 -35.959 55 1HG2 VAL 5 1HG2 VAL 5 34.909 61.678 -39.578 56 2HG2 VAL 5 2HG2 VAL 5 33.575 60.911 -38.716 57 3HG2 VAL 5 3HG2 VAL 5 34.432 62.269 -37.987 58 H ALA 6 H ALA 6 37.210 62.304 -40.451 59 HA ALA 6 HA ALA 6 38.505 64.522 -39.334 60 1HB ALA 6 3HB ALA 6 38.276 64.892 -41.575 61 2HB ALA 6 1HB ALA 6 36.718 64.074 -41.656 62 3HB ALA 6 2HB ALA 6 36.810 65.743 -41.092 63 H LEU 7 H LEU 7 37.304 66.773 -39.076 64 HA LEU 7 HA LEU 7 34.659 66.582 -37.837 65 1HB LEU 7 1HB LEU 7 36.210 65.758 -36.087 66 2HB LEU 7 2HB LEU 7 37.098 67.276 -36.182 67 HG LEU 7 HG LEU 7 35.390 67.052 -34.344 68 1HD1 LEU 7 1HD1 LEU 7 36.264 69.218 -35.761 69 2HD1 LEU 7 2HD1 LEU 7 34.516 69.394 -35.911 70 3HD1 LEU 7 3HD1 LEU 7 35.261 69.328 -34.314 71 1HD2 LEU 7 1HD2 LEU 7 33.709 66.053 -36.098 72 2HD2 LEU 7 2HD2 LEU 7 33.098 67.096 -34.814 73 3HD2 LEU 7 3HD2 LEU 7 33.349 67.746 -36.434 74 H TYR 8 H TYR 8 37.600 68.593 -38.213 75 HA TYR 8 HA TYR 8 35.776 70.940 -38.560 76 1HB TYR 8 1HB TYR 8 38.559 70.721 -37.414 77 2HB TYR 8 2HB TYR 8 37.905 72.265 -37.966 78 HD1 TYR 8 HD1 TYR 8 35.099 72.151 -37.230 79 HD2 TYR 8 HD2 TYR 8 38.533 70.740 -35.069 80 HE1 TYR 8 HE1 TYR 8 33.855 72.389 -35.097 81 HE2 TYR 8 HE2 TYR 8 37.289 70.978 -32.937 82 HH TYR 8 HH TYR 8 34.559 72.755 -32.590 83 H ASP 9 H ASP 9 37.164 68.850 -40.479 84 HA ASP 9 HA ASP 9 37.954 68.939 -42.686 85 1HB ASP 9 1HB ASP 9 36.123 70.525 -43.043 86 2HB ASP 9 2HB ASP 9 37.114 71.841 -42.410 87 H TYR 10 H TYR 10 39.898 69.438 -43.794 88 HA TYR 10 HA TYR 10 41.707 71.493 -42.773 89 1HB TYR 10 1HB TYR 10 41.839 69.292 -41.291 90 2HB TYR 10 2HB TYR 10 42.816 68.713 -42.641 91 HD1 TYR 10 HD1 TYR 10 42.426 71.864 -40.630 92 HD2 TYR 10 HD2 TYR 10 45.107 69.059 -42.474 93 HE1 TYR 10 HE1 TYR 10 44.365 73.160 -39.784 94 HE2 TYR 10 HE2 TYR 10 47.045 70.355 -41.628 95 HH TYR 10 HH TYR 10 47.198 72.158 -39.359 96 H MET 11 H MET 11 42.291 72.277 -44.763 97 HA MET 11 HA MET 11 42.881 70.324 -46.914 98 1HB MET 11 1HB MET 11 41.168 72.158 -47.297 99 2HB MET 11 2HB MET 11 42.500 73.310 -47.201 100 1HG MET 11 1HG MET 11 43.503 72.514 -49.161 101 2HG MET 11 2HG MET 11 42.686 70.955 -49.060 102 1HE MET 11 1HE MET 11 40.097 71.104 -48.545 103 2HE MET 11 2HE MET 11 39.041 71.729 -49.820 104 3HE MET 11 3HE MET 11 40.232 70.484 -50.188 105 1HB PRO 12 1HB PRO 12 48.260 69.359 -46.777 106 2HB PRO 12 2HB PRO 12 47.567 69.502 -45.152 107 1HG PRO 12 2HG PRO 12 46.209 67.757 -45.821 108 2HG PRO 12 1HG PRO 12 46.473 68.089 -47.541 109 1HD PRO 12 1HD PRO 12 44.402 69.086 -47.537 110 2HD PRO 12 2HD PRO 12 44.326 69.061 -45.763 111 H MET 13 H MET 13 47.190 69.506 -48.655 112 HA MET 13 HA MET 13 47.672 69.974 -50.914 113 1HB MET 13 1HB MET 13 46.235 72.196 -50.092 114 2HB MET 13 2HB MET 13 47.739 72.897 -50.687 115 1HG MET 13 1HG MET 13 46.584 70.755 -52.374 116 2HG MET 13 2HG MET 13 45.648 72.248 -52.300 117 1HE MET 13 1HE MET 13 48.250 70.249 -53.303 118 2HE MET 13 2HE MET 13 48.767 71.008 -54.806 119 3HE MET 13 3HE MET 13 49.740 71.203 -53.351 120 H ASN 14 H ASN 14 49.626 70.034 -48.568 121 HA ASN 14 HA ASN 14 52.000 70.521 -50.076 122 1HB ASN 14 1HB ASN 14 51.066 72.908 -49.612 123 2HB ASN 14 2HB ASN 14 51.616 72.631 -47.959 124 2HD2 ASN 14 1HD2 ASN 14 53.420 74.092 -48.010 125 1HD2 ASN 14 2HD2 ASN 14 54.765 73.852 -49.017 126 H ALA 15 H ALA 15 50.459 70.337 -46.905 127 HA ALA 15 HA ALA 15 52.933 69.488 -45.582 128 1HB ALA 15 3HB ALA 15 51.779 70.065 -43.740 129 2HB ALA 15 2HB ALA 15 50.582 68.813 -44.074 130 3HB ALA 15 1HB ALA 15 50.382 70.428 -44.755 131 H ASN 16 H ASN 16 50.986 67.976 -47.749 132 HA ASN 16 HA ASN 16 50.878 65.710 -48.372 133 1HB ASN 16 1HB ASN 16 53.217 65.773 -47.120 134 2HB ASN 16 2HB ASN 16 52.332 64.868 -45.892 135 2HD2 ASN 16 1HD2 ASN 16 53.799 64.660 -49.045 136 1HD2 ASN 16 2HD2 ASN 16 53.383 63.043 -49.356 137 H ASP 17 H ASP 17 49.333 67.160 -45.985 138 HA ASP 17 HA ASP 17 48.256 64.829 -44.558 139 1HB ASP 17 1HB ASP 17 48.019 67.774 -44.379 140 2HB ASP 17 2HB ASP 17 46.574 66.870 -43.923 141 H LEU 18 H LEU 18 45.949 64.234 -44.672 142 HA LEU 18 HA LEU 18 44.960 64.361 -47.435 143 1HB LEU 18 1HB LEU 18 44.327 62.904 -44.937 144 2HB LEU 18 2HB LEU 18 42.927 63.279 -45.925 145 HG LEU 18 HG LEU 18 43.408 61.576 -47.318 146 1HD1 LEU 18 1HD1 LEU 18 46.081 62.935 -47.530 147 2HD1 LEU 18 2HD1 LEU 18 45.848 61.339 -48.238 148 3HD1 LEU 18 3HD1 LEU 18 44.856 62.693 -48.772 149 1HD2 LEU 18 1HD2 LEU 18 44.140 60.562 -45.185 150 2HD2 LEU 18 2HD2 LEU 18 45.034 59.910 -46.555 151 3HD2 LEU 18 3HD2 LEU 18 45.787 61.104 -45.506 152 H GLN 19 H GLN 19 43.204 65.597 -48.148 153 HA GLN 19 HA GLN 19 42.590 67.954 -46.597 154 1HB GLN 19 1HB GLN 19 41.337 66.850 -49.122 155 2HB GLN 19 2HB GLN 19 41.076 68.473 -48.481 156 1HG GLN 19 1HG GLN 19 43.231 69.172 -48.999 157 2HG GLN 19 2HG GLN 19 43.884 67.535 -48.942 158 2HE2 GLN 19 1HE2 GLN 19 42.249 66.131 -50.688 159 1HE2 GLN 19 2HE2 GLN 19 42.337 66.798 -52.246 160 H LEU 20 H LEU 20 41.609 67.167 -44.660 161 HA LEU 20 HA LEU 20 39.600 65.261 -44.390 162 1HB LEU 20 1HB LEU 20 39.750 67.882 -42.892 163 2HB LEU 20 2HB LEU 20 38.891 66.442 -42.371 164 HG LEU 20 HG LEU 20 41.768 67.061 -42.260 165 1HD1 LEU 20 1HD1 LEU 20 39.646 65.842 -40.691 166 2HD1 LEU 20 2HD1 LEU 20 41.123 64.878 -40.647 167 3HD1 LEU 20 3HD1 LEU 20 41.158 66.570 -40.150 168 1HD2 LEU 20 1HD2 LEU 20 40.766 64.391 -43.272 169 2HD2 LEU 20 2HD2 LEU 20 42.041 65.396 -43.948 170 3HD2 LEU 20 3HD2 LEU 20 42.303 64.547 -42.427 171 H ARG 21 H ARG 21 37.246 65.596 -44.029 172 HA ARG 21 HA ARG 21 36.079 67.884 -45.507 173 1HB ARG 21 1HB ARG 21 35.985 65.031 -46.339 174 2HB ARG 21 2HB ARG 21 34.462 65.917 -46.431 175 1HG ARG 21 1HG ARG 21 35.719 67.731 -47.687 176 2HG ARG 21 2HG ARG 21 37.081 66.613 -47.781 177 1HD ARG 21 1HD ARG 21 36.102 65.406 -49.421 178 2HD ARG 21 2HD ARG 21 34.559 65.361 -48.567 179 HE ARG 21 HE ARG 21 34.328 67.800 -49.481 180 1HH1 ARG 21 1HH1 ARG 21 36.966 66.620 -50.985 181 2HH1 ARG 21 2HH1 ARG 21 36.316 66.591 -52.591 182 1HH2 ARG 21 1HH2 ARG 21 33.053 67.156 -51.564 183 2HH2 ARG 21 2HH2 ARG 21 34.100 66.894 -52.918 184 H LYS 22 H LYS 22 36.269 66.968 -42.728 185 HA LYS 22 HA LYS 22 34.898 66.452 -40.866 186 1HB LYS 22 2HB LYS 22 33.172 68.144 -40.587 187 2HB LYS 22 1HB LYS 22 33.151 68.460 -42.321 188 1HG LYS 22 1HG LYS 22 35.316 69.098 -40.319 189 2HG LYS 22 2HG LYS 22 35.665 69.009 -42.046 190 1HD LYS 22 1HD LYS 22 35.126 71.326 -41.332 191 2HD LYS 22 2HD LYS 22 33.957 70.711 -42.501 192 1HE LYS 22 1HE LYS 22 32.482 70.045 -40.577 193 2HE LYS 22 2HE LYS 22 33.610 70.865 -39.496 194 1HZ LYS 22 1HZ LYS 22 33.257 72.824 -41.138 195 2HZ LYS 22 2HZ LYS 22 31.819 72.007 -41.524 196 3HZ LYS 22 3HZ LYS 22 32.102 72.514 -39.931 197 H GLY 23 H GLY 23 34.211 64.286 -41.229 198 1HA GLY 23 1HA GLY 23 31.724 63.417 -41.083 199 2HA GLY 23 2HA GLY 23 31.685 63.939 -42.769 200 H ASP 24 H ASP 24 33.522 63.012 -44.152 201 HA ASP 24 HA ASP 24 33.429 60.196 -44.174 202 1HB ASP 24 2HB ASP 24 35.326 60.271 -45.692 203 2HB ASP 24 1HB ASP 24 35.751 61.891 -45.138 204 H GLU 25 H GLU 25 34.377 58.709 -42.851 205 HA GLU 25 HA GLU 25 36.174 59.679 -40.753 206 1HB GLU 25 1HB GLU 25 35.255 56.845 -41.304 207 2HB GLU 25 2HB GLU 25 36.005 57.436 -39.821 208 1HG GLU 25 2HG GLU 25 33.846 59.171 -40.302 209 2HG GLU 25 1HG GLU 25 33.946 57.925 -39.057 210 H TYR 26 H TYR 26 38.311 58.793 -40.391 211 HA TYR 26 HA TYR 26 39.573 57.813 -42.917 212 1HB TYR 26 2HB TYR 26 41.517 59.077 -42.384 213 2HB TYR 26 1HB TYR 26 40.977 59.346 -40.723 214 HD1 TYR 26 HD1 TYR 26 38.760 59.497 -43.670 215 HD2 TYR 26 HD2 TYR 26 40.988 61.777 -40.798 216 HE1 TYR 26 HE1 TYR 26 37.586 61.549 -44.401 217 HE2 TYR 26 HE2 TYR 26 39.813 63.834 -41.529 218 HH TYR 26 HH TYR 26 37.278 63.710 -44.037 219 H PHE 27 H PHE 27 41.044 56.124 -42.766 220 HA PHE 27 HA PHE 27 41.007 54.606 -40.209 221 1HB PHE 27 2HB PHE 27 41.491 52.659 -41.493 222 2HB PHE 27 1HB PHE 27 42.030 53.611 -42.876 223 HD1 PHE 27 HD1 PHE 27 40.308 55.056 -44.102 224 HD2 PHE 27 HD2 PHE 27 39.227 52.016 -41.266 225 HE1 PHE 27 HE1 PHE 27 38.003 55.022 -45.017 226 HE2 PHE 27 HE2 PHE 27 36.923 51.981 -42.182 227 HZ PHE 27 HZ PHE 27 36.311 53.484 -44.057 228 H ILE 28 H ILE 28 42.875 54.382 -39.058 229 HA ILE 28 HA ILE 28 45.181 55.923 -39.965 230 HB ILE 28 HB ILE 28 44.976 54.231 -37.479 231 1HG1 ILE 28 2HG1 ILE 28 44.350 56.560 -36.490 232 2HG1 ILE 28 1HG1 ILE 28 43.090 55.633 -37.302 233 1HG2 ILE 28 1HG2 ILE 28 46.693 56.532 -38.420 234 2HG2 ILE 28 2HG2 ILE 28 46.531 56.142 -36.707 235 3HG2 ILE 28 3HG2 ILE 28 47.209 54.954 -37.822 236 1HD1 ILE 28 1HD1 ILE 28 44.727 57.462 -38.996 237 2HD1 ILE 28 2HD1 ILE 28 43.012 57.065 -39.108 238 3HD1 ILE 28 3HD1 ILE 28 43.577 58.213 -37.894 239 H LEU 29 H LEU 29 46.079 54.810 -41.695 240 HA LEU 29 HA LEU 29 46.715 52.015 -41.654 241 1HB LEU 29 1HB LEU 29 47.762 54.399 -43.203 242 2HB LEU 29 2HB LEU 29 48.331 52.756 -43.496 243 HG LEU 29 HG LEU 29 46.584 53.116 -45.060 244 1HD1 LEU 29 1HD1 LEU 29 46.489 51.029 -43.466 245 2HD1 LEU 29 2HD1 LEU 29 45.017 51.799 -42.874 246 3HD1 LEU 29 3HD1 LEU 29 45.152 51.345 -44.572 247 1HD2 LEU 29 1HD2 LEU 29 45.667 55.138 -43.906 248 2HD2 LEU 29 2HD2 LEU 29 44.423 54.048 -44.514 249 3HD2 LEU 29 3HD2 LEU 29 44.818 54.062 -42.797 250 H GLU 30 H GLU 30 47.925 54.673 -39.929 251 HA GLU 30 HA GLU 30 49.894 53.184 -38.528 252 1HB GLU 30 1HB GLU 30 50.869 53.736 -41.002 253 2HB GLU 30 2HB GLU 30 51.357 55.200 -40.147 254 1HG GLU 30 1HG GLU 30 52.513 53.896 -38.458 255 2HG GLU 30 2HG GLU 30 51.912 52.390 -39.153 256 H GLU 31 H GLU 31 51.051 54.626 -36.969 257 HA GLU 31 HA GLU 31 49.801 57.340 -36.806 258 1HB GLU 31 2HB GLU 31 48.687 55.808 -35.214 259 2HB GLU 31 1HB GLU 31 49.605 57.053 -34.366 260 1HG GLU 31 1HG GLU 31 50.393 54.165 -34.832 261 2HG GLU 31 2HG GLU 31 51.526 55.388 -34.255 262 H SER 32 H SER 32 51.115 58.270 -34.567 263 HA SER 32 HA SER 32 53.896 57.693 -34.403 264 1HB SER 32 1HB SER 32 54.448 60.033 -35.623 265 2HB SER 32 2HB SER 32 54.475 58.493 -36.476 266 HG SER 32 HG SER 32 53.173 60.285 -37.399 267 H ASN 33 H ASN 33 55.010 60.084 -33.746 268 HA ASN 33 HA ASN 33 53.611 60.771 -31.297 269 1HB ASN 33 1HB ASN 33 56.232 61.135 -32.391 270 2HB ASN 33 2HB ASN 33 55.616 62.712 -31.896 271 2HD2 ASN 33 1HD2 ASN 33 55.433 59.351 -30.561 272 1HD2 ASN 33 2HD2 ASN 33 55.834 59.809 -28.977 273 H LEU 34 H LEU 34 54.421 62.628 -34.249 274 HA LEU 34 HA LEU 34 53.231 65.063 -33.712 275 1HB LEU 34 1HB LEU 34 53.255 63.400 -36.233 276 2HB LEU 34 2HB LEU 34 52.515 64.999 -36.206 277 HG LEU 34 HG LEU 34 55.225 64.800 -35.009 278 1HD1 LEU 34 1HD1 LEU 34 54.668 63.765 -37.642 279 2HD1 LEU 34 2HD1 LEU 34 55.638 65.232 -37.777 280 3HD1 LEU 34 3HD1 LEU 34 56.218 63.878 -36.806 281 1HD2 LEU 34 1HD2 LEU 34 53.473 66.810 -35.802 282 2HD2 LEU 34 2HD2 LEU 34 55.179 67.029 -35.414 283 3HD2 LEU 34 3HD2 LEU 34 54.678 66.790 -37.088 284 1HB PRO 35 1HB PRO 35 47.889 66.652 -34.376 285 2HB PRO 35 2HB PRO 35 48.687 66.653 -32.793 286 1HG PRO 35 2HG PRO 35 50.149 68.147 -33.784 287 2HG PRO 35 1HG PRO 35 49.724 67.618 -35.420 288 1HD PRO 35 1HD PRO 35 51.692 66.430 -35.402 289 2HD PRO 35 2HD PRO 35 51.898 66.665 -33.655 290 H TRP 36 H TRP 36 50.159 64.906 -36.410 291 HA TRP 36 HA TRP 36 47.640 63.884 -37.596 292 1HB TRP 36 1HB TRP 36 49.159 64.212 -39.764 293 2HB TRP 36 2HB TRP 36 48.338 65.578 -39.012 294 HD1 TRP 36 HD1 TRP 36 51.766 63.795 -38.845 295 HE1 TRP 36 HE1 TRP 36 53.565 65.567 -38.327 296 HE3 TRP 36 HE3 TRP 36 48.804 67.915 -38.269 297 HZ2 TRP 36 HZ2 TRP 36 53.727 68.363 -37.744 298 HZ3 TRP 36 HZ3 TRP 36 49.806 70.119 -37.734 299 HH2 TRP 36 HH2 TRP 36 52.260 70.348 -37.470 300 H TRP 37 H TRP 37 47.557 61.835 -38.652 301 HA TRP 37 HA TRP 37 50.000 60.161 -38.172 302 1HB TRP 37 1HB TRP 37 47.078 59.353 -38.227 303 2HB TRP 37 2HB TRP 37 48.423 58.223 -38.080 304 HD1 TRP 37 HD1 TRP 37 49.918 60.713 -36.253 305 HE1 TRP 37 HE1 TRP 37 49.356 60.688 -33.738 306 HE3 TRP 37 HE3 TRP 37 45.716 57.816 -36.319 307 HZ2 TRP 37 HZ2 TRP 37 47.388 59.581 -31.986 308 HZ3 TRP 37 HZ3 TRP 37 44.523 57.290 -34.212 309 HH2 TRP 37 HH2 TRP 37 45.350 58.168 -32.049 310 H ARG 38 H ARG 38 49.062 57.965 -39.761 311 HA ARG 38 HA ARG 38 49.199 59.192 -42.485 312 1HB ARG 38 1HB ARG 38 51.260 57.891 -41.629 313 2HB ARG 38 2HB ARG 38 50.255 56.449 -41.775 314 1HG ARG 38 1HG ARG 38 49.764 57.298 -44.181 315 2HG ARG 38 2HG ARG 38 51.185 58.318 -43.949 316 1HD ARG 38 1HD ARG 38 52.430 56.544 -44.573 317 2HD ARG 38 2HD ARG 38 51.988 55.801 -43.036 318 HE ARG 38 HE ARG 38 49.913 55.364 -44.984 319 1HH1 ARG 38 1HH1 ARG 38 53.240 54.698 -44.926 320 2HH1 ARG 38 2HH1 ARG 38 53.067 52.998 -45.209 321 1HH2 ARG 38 1HH2 ARG 38 49.607 53.043 -44.974 322 2HH2 ARG 38 2HH2 ARG 38 51.009 52.061 -45.236 323 H ALA 39 H ALA 39 46.829 59.138 -42.361 324 HA ALA 39 HA ALA 39 45.717 56.375 -42.602 325 1HB ALA 39 3HB ALA 39 44.577 57.408 -40.831 326 2HB ALA 39 2HB ALA 39 43.514 57.744 -42.192 327 3HB ALA 39 1HB ALA 39 44.612 58.990 -41.600 328 H ARG 40 H ARG 40 43.746 56.304 -44.058 329 HA ARG 40 HA ARG 40 44.181 58.009 -46.481 330 1HB ARG 40 1HB ARG 40 44.701 55.643 -46.935 331 2HB ARG 40 2HB ARG 40 43.131 55.161 -46.290 332 1HG ARG 40 1HG ARG 40 42.214 56.872 -48.081 333 2HG ARG 40 2HG ARG 40 43.770 56.575 -48.856 334 1HD ARG 40 2HD ARG 40 42.347 54.937 -49.794 335 2HD ARG 40 1HD ARG 40 41.574 54.599 -48.245 336 HE ARG 40 HE ARG 40 44.430 54.005 -48.247 337 1HH1 ARG 40 1HH1 ARG 40 41.916 52.791 -50.087 338 2HH1 ARG 40 2HH1 ARG 40 42.017 51.169 -49.486 339 1HH2 ARG 40 1HH2 ARG 40 44.290 51.955 -46.987 340 2HH2 ARG 40 2HH2 ARG 40 43.361 50.697 -47.731 341 H ASP 41 H ASP 41 42.617 59.576 -46.217 342 HA ASP 41 HA ASP 41 40.239 59.321 -44.764 343 1HB ASP 41 1HB ASP 41 39.356 61.186 -46.239 344 2HB ASP 41 2HB ASP 41 40.903 61.503 -45.459 345 H LYS 42 H LYS 42 37.962 59.383 -45.735 346 HA LYS 42 HA LYS 42 37.510 56.918 -47.151 347 1HB LYS 42 1HB LYS 42 35.954 58.408 -45.553 348 2HB LYS 42 2HB LYS 42 35.385 59.010 -47.110 349 1HG LYS 42 1HG LYS 42 34.467 56.992 -47.713 350 2HG LYS 42 2HG LYS 42 35.680 56.059 -46.835 351 1HD LYS 42 1HD LYS 42 34.596 56.368 -44.764 352 2HD LYS 42 2HD LYS 42 33.646 57.727 -45.364 353 1HE LYS 42 1HE LYS 42 32.744 55.886 -47.064 354 2HE LYS 42 2HE LYS 42 33.222 54.795 -45.763 355 1HZ LYS 42 1HZ LYS 42 31.794 57.125 -44.862 356 2HZ LYS 42 2HZ LYS 42 30.880 56.128 -45.892 357 3HZ LYS 42 3HZ LYS 42 31.561 55.491 -44.471 358 H ASN 43 H ASN 43 38.506 59.930 -48.267 359 HA ASN 43 HA ASN 43 37.062 59.876 -50.811 360 1HB ASN 43 1HB ASN 43 38.124 61.923 -49.533 361 2HB ASN 43 2HB ASN 43 39.590 61.437 -50.385 362 2HD2 ASN 43 1HD2 ASN 43 39.613 61.624 -52.735 363 1HD2 ASN 43 2HD2 ASN 43 38.417 62.495 -53.568 364 H GLY 44 H GLY 44 39.326 57.871 -49.619 365 1HA GLY 44 1HA GLY 44 40.683 56.279 -50.687 366 2HA GLY 44 2HA GLY 44 40.110 56.909 -52.233 367 H GLN 45 H GLN 45 41.787 58.684 -49.627 368 HA GLN 45 HA GLN 45 44.103 58.998 -51.472 369 1HB GLN 45 1HB GLN 45 42.291 61.001 -51.135 370 2HB GLN 45 2HB GLN 45 43.385 61.339 -49.794 371 1HG GLN 45 2HG GLN 45 45.039 60.728 -51.998 372 2HG GLN 45 1HG GLN 45 44.791 62.310 -51.259 373 2HE2 GLN 45 1HE2 GLN 45 45.222 61.992 -54.095 374 1HE2 GLN 45 2HE2 GLN 45 43.797 62.444 -54.896 375 H GLU 46 H GLU 46 45.793 58.139 -50.381 376 HA GLU 46 HA GLU 46 45.767 57.947 -47.460 377 1HB GLU 46 2HB GLU 46 47.688 56.603 -47.695 378 2HB GLU 46 1HB GLU 46 48.161 57.386 -49.205 379 1HG GLU 46 1HG GLU 46 45.533 55.947 -49.091 380 2HG GLU 46 2HG GLU 46 46.618 56.185 -50.462 381 H GLY 47 H GLY 47 46.741 59.404 -46.085 382 1HA GLY 47 1HA GLY 47 48.965 61.055 -46.896 383 2HA GLY 47 2HA GLY 47 47.462 61.966 -46.911 384 H TYR 48 H TYR 48 48.671 63.195 -45.205 385 HA TYR 48 HA TYR 48 48.743 61.842 -42.583 386 1HB TYR 48 1HB TYR 48 49.745 64.511 -43.569 387 2HB TYR 48 2HB TYR 48 49.646 64.148 -41.848 388 HD1 TYR 48 HD1 TYR 48 51.156 63.078 -45.068 389 HD2 TYR 48 HD2 TYR 48 51.200 62.661 -40.792 390 HE1 TYR 48 HE1 TYR 48 53.283 61.813 -45.213 391 HE2 TYR 48 HE2 TYR 48 53.327 61.394 -40.939 392 HH TYR 48 HH TYR 48 54.988 60.739 -42.281 393 H ILE 49 H ILE 49 47.045 61.966 -41.239 394 HA ILE 49 HA ILE 49 44.998 64.074 -41.733 395 HB ILE 49 HB ILE 49 44.839 61.358 -40.492 396 1HG1 ILE 49 2HG1 ILE 49 43.741 62.563 -43.023 397 2HG1 ILE 49 1HG1 ILE 49 43.208 61.005 -42.385 398 1HG2 ILE 49 1HG2 ILE 49 43.369 63.267 -39.470 399 2HG2 ILE 49 2HG2 ILE 49 42.446 63.099 -40.964 400 3HG2 ILE 49 3HG2 ILE 49 42.616 61.724 -39.872 401 1HD1 ILE 49 1HD1 ILE 49 45.958 60.793 -42.271 402 2HD1 ILE 49 2HD1 ILE 49 44.947 60.140 -43.559 403 3HD1 ILE 49 3HD1 ILE 49 45.713 61.716 -43.752 404 1HB PRO 50 1HB PRO 50 44.387 67.656 -37.641 405 2HB PRO 50 2HB PRO 50 45.849 67.790 -38.635 406 1HG PRO 50 2HG PRO 50 44.357 68.026 -40.386 407 2HG PRO 50 1HG PRO 50 43.039 67.254 -39.488 408 1HD PRO 50 1HD PRO 50 43.478 65.368 -40.729 409 2HD PRO 50 2HD PRO 50 45.014 66.036 -41.322 410 H SER 51 H SER 51 45.790 65.086 -35.738 411 HA SER 51 HA SER 51 43.042 64.020 -35.288 412 1HB SER 51 1HB SER 51 44.315 62.283 -34.591 413 2HB SER 51 2HB SER 51 45.735 63.283 -34.329 414 HG SER 51 HG SER 51 45.157 62.909 -32.309 415 H ASN 52 H ASN 52 45.079 66.646 -34.578 416 HA ASN 52 HA ASN 52 44.394 67.346 -31.940 417 1HB ASN 52 1HB ASN 52 44.464 69.768 -32.884 418 2HB ASN 52 2HB ASN 52 45.929 68.794 -33.018 419 2HD2 ASN 52 1HD2 ASN 52 46.659 69.906 -34.963 420 1HD2 ASN 52 2HD2 ASN 52 45.872 69.699 -36.452 421 H TYR 53 H TYR 53 42.446 67.082 -34.771 422 HA TYR 53 HA TYR 53 40.115 68.122 -33.208 423 1HB TYR 53 1HB TYR 53 40.694 68.573 -36.155 424 2HB TYR 53 2HB TYR 53 39.178 68.991 -35.358 425 HD1 TYR 53 HD1 TYR 53 39.854 70.150 -32.850 426 HD2 TYR 53 HD2 TYR 53 41.955 70.488 -36.582 427 HE1 TYR 53 HE1 TYR 53 40.838 72.299 -32.101 428 HE2 TYR 53 HE2 TYR 53 42.938 72.638 -35.833 429 HH TYR 53 HH TYR 53 42.402 74.438 -34.215 430 H VAL 54 H VAL 54 39.250 67.173 -36.335 431 HA VAL 54 HA VAL 54 37.782 65.356 -36.863 432 HB VAL 54 HB VAL 54 39.128 63.451 -37.410 433 1HG1 VAL 54 1HG1 VAL 54 39.606 65.812 -38.411 434 2HG1 VAL 54 2HG1 VAL 54 41.119 65.684 -37.513 435 3HG1 VAL 54 3HG1 VAL 54 40.720 64.486 -38.746 436 1HG2 VAL 54 1HG2 VAL 54 40.934 64.530 -35.249 437 2HG2 VAL 54 2HG2 VAL 54 40.192 62.936 -35.349 438 3HG2 VAL 54 3HG2 VAL 54 41.502 63.370 -36.444 439 H THR 55 H THR 55 38.367 62.633 -35.924 440 HA THR 55 HA THR 55 37.771 62.655 -33.092 441 HB THR 55 HB THR 55 35.680 62.559 -35.171 442 HG1 THR 55 HG1 THR 55 36.159 64.114 -33.352 443 1HG2 THR 55 1HG2 THR 55 35.646 60.223 -34.183 444 2HG2 THR 55 2HG2 THR 55 35.303 60.970 -32.625 445 3HG2 THR 55 3HG2 THR 55 34.163 61.142 -33.958 446 H GLU 56 H GLU 56 36.946 60.153 -32.638 447 HA GLU 56 HA GLU 56 37.664 57.947 -32.609 448 1HB GLU 56 1HB GLU 56 37.914 58.516 -35.550 449 2HB GLU 56 2HB GLU 56 38.128 56.919 -34.848 450 1HG GLU 56 1HG GLU 56 35.672 58.376 -34.049 451 2HG GLU 56 2HG GLU 56 35.737 57.815 -35.720 452 H ALA 57 H ALA 57 39.885 57.240 -34.772 453 HA ALA 57 HA ALA 57 42.078 57.147 -33.103 454 1HB ALA 57 1HB ALA 57 41.652 56.957 -35.933 455 2HB ALA 57 2HB ALA 57 43.118 57.893 -35.642 456 3HB ALA 57 3HB ALA 57 42.960 56.270 -34.972 457 H GLU 58 H GLU 58 42.893 58.767 -31.869 458 HA GLU 58 HA GLU 58 43.894 61.199 -33.148 459 1HB GLU 58 2HB GLU 58 41.492 61.753 -32.775 460 2HB GLU 58 1HB GLU 58 42.568 62.767 -31.813 461 1HG GLU 58 1HG GLU 58 41.421 60.209 -30.694 462 2HG GLU 58 2HG GLU 58 42.076 61.594 -29.821 No H/Q in entry = 462 Start of MODEL 3 1 H1 LEU 1 H1 LEU 1 45.183 53.101 -36.219 2 H2 LEU 1 H2 LEU 1 45.939 54.302 -35.291 3 H3 LEU 1 H3 LEU 1 46.688 52.790 -35.494 4 HA LEU 1 HA LEU 1 45.522 51.830 -33.868 5 1HB LEU 1 1HB LEU 1 46.293 53.932 -32.821 6 2HB LEU 1 2HB LEU 1 44.801 54.727 -33.324 7 HG LEU 1 HG LEU 1 43.746 52.591 -32.063 8 1HD1 LEU 1 1HD1 LEU 1 46.299 52.062 -31.522 9 2HD1 LEU 1 2HD1 LEU 1 46.018 53.219 -30.221 10 3HD1 LEU 1 3HD1 LEU 1 45.035 51.759 -30.329 11 1HD2 LEU 1 1HD2 LEU 1 44.183 55.365 -31.507 12 2HD2 LEU 1 2HD2 LEU 1 42.883 54.329 -30.919 13 3HD2 LEU 1 3HD2 LEU 1 44.384 54.466 -30.003 14 H LYS 2 H LYS 2 43.263 54.528 -34.474 15 HA LYS 2 HA LYS 2 41.155 52.477 -35.031 16 1HB LYS 2 1HB LYS 2 41.276 54.391 -32.917 17 2HB LYS 2 2HB LYS 2 39.993 54.892 -34.021 18 1HG LYS 2 2HG LYS 2 39.338 52.344 -33.953 19 2HG LYS 2 1HG LYS 2 38.848 53.407 -32.635 20 1HD LYS 2 1HD LYS 2 41.526 52.346 -32.211 21 2HD LYS 2 2HD LYS 2 40.118 52.272 -31.152 22 1HE LYS 2 1HE LYS 2 39.237 50.418 -32.667 23 2HE LYS 2 2HE LYS 2 40.839 50.386 -33.404 24 1HZ LYS 2 1HZ LYS 2 40.835 50.340 -30.516 25 2HZ LYS 2 2HZ LYS 2 40.135 48.971 -31.240 26 3HZ LYS 2 3HZ LYS 2 41.732 49.411 -31.616 27 H LYS 3 H LYS 3 39.131 54.321 -35.697 28 HA LYS 3 HA LYS 3 40.182 55.300 -38.302 29 1HB LYS 3 1HB LYS 3 37.589 54.285 -37.317 30 2HB LYS 3 2HB LYS 3 37.469 55.666 -38.408 31 1HG LYS 3 1HG LYS 3 38.728 54.519 -40.117 32 2HG LYS 3 2HG LYS 3 39.115 53.197 -39.014 33 1HD LYS 3 1HD LYS 3 37.019 52.263 -39.174 34 2HD LYS 3 2HD LYS 3 36.229 53.822 -39.416 35 1HE LYS 3 1HE LYS 3 38.088 52.900 -41.554 36 2HE LYS 3 2HE LYS 3 36.542 52.063 -41.419 37 1HZ LYS 3 1HZ LYS 3 36.642 55.006 -41.391 38 2HZ LYS 3 2HZ LYS 3 36.709 54.171 -42.866 39 3HZ LYS 3 3HZ LYS 3 35.365 53.980 -41.844 40 H VAL 4 H VAL 4 41.187 57.224 -37.321 41 HA VAL 4 HA VAL 4 39.802 59.126 -35.745 42 HB VAL 4 HB VAL 4 42.249 59.178 -36.203 43 1HG1 VAL 4 1HG1 VAL 4 41.767 58.767 -38.747 44 2HG1 VAL 4 2HG1 VAL 4 41.630 60.524 -38.815 45 3HG1 VAL 4 3HG1 VAL 4 43.137 59.778 -38.286 46 1HG2 VAL 4 1HG2 VAL 4 41.010 61.180 -35.369 47 2HG2 VAL 4 2HG2 VAL 4 42.436 61.600 -36.318 48 3HG2 VAL 4 3HG2 VAL 4 40.831 61.717 -37.040 49 H VAL 5 H VAL 5 37.869 60.020 -36.334 50 HA VAL 5 HA VAL 5 37.235 60.430 -39.165 51 HB VAL 5 HB VAL 5 35.459 59.484 -37.921 52 1HG1 VAL 5 1HG1 VAL 5 36.552 61.224 -35.855 53 2HG1 VAL 5 2HG1 VAL 5 34.791 61.299 -35.915 54 3HG1 VAL 5 3HG1 VAL 5 35.601 59.748 -35.686 55 1HG2 VAL 5 1HG2 VAL 5 35.043 61.649 -39.375 56 2HG2 VAL 5 2HG2 VAL 5 33.737 60.985 -38.392 57 3HG2 VAL 5 3HG2 VAL 5 34.659 62.374 -37.814 58 H ALA 6 H ALA 6 37.271 62.377 -40.174 59 HA ALA 6 HA ALA 6 38.585 64.636 -39.160 60 1HB ALA 6 3HB ALA 6 38.208 64.522 -41.519 61 2HB ALA 6 2HB ALA 6 37.243 65.891 -40.967 62 3HB ALA 6 1HB ALA 6 36.465 64.345 -41.308 63 H LEU 7 H LEU 7 37.282 66.896 -39.114 64 HA LEU 7 HA LEU 7 34.782 66.634 -37.544 65 1HB LEU 7 1HB LEU 7 37.262 66.954 -36.281 66 2HB LEU 7 2HB LEU 7 36.573 68.571 -36.312 67 HG LEU 7 HG LEU 7 35.980 67.158 -34.286 68 1HD1 LEU 7 1HD1 LEU 7 34.580 69.081 -35.598 69 2HD1 LEU 7 2HD1 LEU 7 33.407 67.765 -35.630 70 3HD1 LEU 7 3HD1 LEU 7 34.037 68.347 -34.089 71 1HD2 LEU 7 1HD2 LEU 7 35.592 65.117 -35.896 72 2HD2 LEU 7 2HD2 LEU 7 34.557 65.316 -34.481 73 3HD2 LEU 7 3HD2 LEU 7 33.978 65.806 -36.074 74 H TYR 8 H TYR 8 37.153 69.251 -38.126 75 HA TYR 8 HA TYR 8 34.904 70.825 -39.307 76 1HB TYR 8 1HB TYR 8 37.473 71.924 -38.148 77 2HB TYR 8 2HB TYR 8 35.992 72.808 -38.519 78 HD1 TYR 8 HD1 TYR 8 33.809 71.910 -37.323 79 HD2 TYR 8 HD2 TYR 8 37.816 71.168 -35.958 80 HE1 TYR 8 HE1 TYR 8 32.947 71.427 -35.051 81 HE2 TYR 8 HE2 TYR 8 36.951 70.685 -33.686 82 HH TYR 8 HH TYR 8 33.464 70.908 -32.961 83 H ASP 9 H ASP 9 37.120 68.934 -40.506 84 HA ASP 9 HA ASP 9 38.030 68.857 -42.681 85 1HB ASP 9 1HB ASP 9 36.134 70.707 -43.017 86 2HB ASP 9 2HB ASP 9 37.538 71.766 -43.145 87 H TYR 10 H TYR 10 40.038 69.493 -43.674 88 HA TYR 10 HA TYR 10 41.641 71.626 -42.482 89 1HB TYR 10 1HB TYR 10 41.782 69.599 -40.894 90 2HB TYR 10 2HB TYR 10 42.679 68.801 -42.186 91 HD1 TYR 10 HD1 TYR 10 44.790 69.879 -43.073 92 HD2 TYR 10 HD2 TYR 10 42.806 71.241 -39.516 93 HE1 TYR 10 HE1 TYR 10 46.848 71.080 -42.385 94 HE2 TYR 10 HE2 TYR 10 44.864 72.443 -38.827 95 HH TYR 10 HH TYR 10 46.873 73.354 -39.808 96 H MET 11 H MET 11 42.647 72.433 -44.279 97 HA MET 11 HA MET 11 42.960 70.780 -46.657 98 1HB MET 11 1HB MET 11 43.728 73.635 -46.005 99 2HB MET 11 2HB MET 11 44.061 72.885 -47.567 100 1HG MET 11 1HG MET 11 41.693 72.478 -47.934 101 2HG MET 11 2HG MET 11 41.305 73.060 -46.315 102 1HE MET 11 1HE MET 11 39.621 74.176 -47.345 103 2HE MET 11 2HE MET 11 40.018 75.687 -46.514 104 3HE MET 11 3HE MET 11 39.671 75.692 -48.242 105 1HB PRO 12 1HB PRO 12 47.969 69.352 -48.579 106 2HB PRO 12 2HB PRO 12 46.870 68.180 -47.831 107 1HG PRO 12 2HG PRO 12 45.415 68.796 -49.518 108 2HG PRO 12 1HG PRO 12 46.261 70.325 -49.812 109 1HD PRO 12 1HD PRO 12 44.585 71.351 -48.622 110 2HD PRO 12 2HD PRO 12 43.943 69.789 -48.067 111 H MET 13 H MET 13 48.436 71.086 -45.074 112 HA MET 13 HA MET 13 49.083 73.558 -46.495 113 1HB MET 13 1HB MET 13 49.695 72.368 -43.830 114 2HB MET 13 2HB MET 13 50.837 73.556 -44.456 115 1HG MET 13 1HG MET 13 48.450 74.773 -45.011 116 2HG MET 13 2HG MET 13 48.066 73.929 -43.510 117 1HE MET 13 1HE MET 13 49.636 76.455 -45.409 118 2HE MET 13 2HE MET 13 48.811 77.505 -44.248 119 3HE MET 13 3HE MET 13 50.570 77.514 -44.354 120 H ASN 14 H ASN 14 50.256 70.372 -46.525 121 HA ASN 14 HA ASN 14 52.868 71.299 -47.651 122 1HB ASN 14 1HB ASN 14 52.145 69.090 -45.830 123 2HB ASN 14 2HB ASN 14 53.231 68.630 -47.142 124 2HD2 ASN 14 1HD2 ASN 14 54.603 68.440 -44.919 125 1HD2 ASN 14 2HD2 ASN 14 55.539 69.811 -44.562 126 H ALA 15 H ALA 15 51.032 68.235 -47.878 127 HA ALA 15 HA ALA 15 50.155 68.584 -50.562 128 1HB ALA 15 3HB ALA 15 51.967 68.156 -51.823 129 2HB ALA 15 1HB ALA 15 52.950 68.145 -50.359 130 3HB ALA 15 2HB ALA 15 52.243 66.644 -50.958 131 H ASN 16 H ASN 16 51.777 65.948 -48.743 132 HA ASN 16 HA ASN 16 49.915 63.938 -49.582 133 1HB ASN 16 1HB ASN 16 51.968 64.157 -47.405 134 2HB ASN 16 2HB ASN 16 50.834 62.805 -47.383 135 2HD2 ASN 16 1HD2 ASN 16 53.193 64.445 -49.553 136 1HD2 ASN 16 2HD2 ASN 16 53.580 63.047 -50.435 137 H ASP 17 H ASP 17 49.919 66.207 -46.899 138 HA ASP 17 HA ASP 17 48.142 65.225 -45.064 139 1HB ASP 17 1HB ASP 17 48.042 67.971 -46.345 140 2HB ASP 17 2HB ASP 17 47.254 67.542 -44.826 141 H LEU 18 H LEU 18 46.098 64.328 -45.151 142 HA LEU 18 HA LEU 18 44.613 64.420 -47.681 143 1HB LEU 18 1HB LEU 18 44.421 62.993 -45.088 144 2HB LEU 18 2HB LEU 18 42.888 63.312 -45.878 145 HG LEU 18 HG LEU 18 43.235 61.675 -47.394 146 1HD1 LEU 18 1HD1 LEU 18 45.880 63.028 -47.774 147 2HD1 LEU 18 2HD1 LEU 18 45.683 61.389 -48.392 148 3HD1 LEU 18 3HD1 LEU 18 44.620 62.677 -48.956 149 1HD2 LEU 18 1HD2 LEU 18 45.595 61.176 -45.573 150 2HD2 LEU 18 2HD2 LEU 18 43.980 60.486 -45.441 151 3HD2 LEU 18 3HD2 LEU 18 45.032 60.021 -46.773 152 H GLN 19 H GLN 19 43.319 66.107 -48.180 153 HA GLN 19 HA GLN 19 42.622 68.168 -46.329 154 1HB GLN 19 1HB GLN 19 42.572 68.656 -48.695 155 2HB GLN 19 2HB GLN 19 41.380 67.387 -48.981 156 1HG GLN 19 1HG GLN 19 39.889 68.696 -47.310 157 2HG GLN 19 2HG GLN 19 41.006 70.033 -47.583 158 2HE2 GLN 19 1HE2 GLN 19 41.400 68.909 -50.461 159 1HE2 GLN 19 2HE2 GLN 19 40.036 69.481 -51.294 160 H LEU 20 H LEU 20 41.635 67.322 -44.470 161 HA LEU 20 HA LEU 20 39.792 65.293 -44.225 162 1HB LEU 20 1HB LEU 20 39.742 67.940 -42.766 163 2HB LEU 20 2HB LEU 20 38.832 66.517 -42.278 164 HG LEU 20 HG LEU 20 41.705 67.110 -41.973 165 1HD1 LEU 20 1HD1 LEU 20 39.585 66.389 -40.378 166 2HD1 LEU 20 2HD1 LEU 20 40.464 64.868 -40.537 167 3HD1 LEU 20 3HD1 LEU 20 41.281 66.297 -39.903 168 1HD2 LEU 20 1HD2 LEU 20 41.788 65.347 -43.745 169 2HD2 LEU 20 2HD2 LEU 20 42.442 64.783 -42.209 170 3HD2 LEU 20 3HD2 LEU 20 40.822 64.298 -42.711 171 H ARG 21 H ARG 21 37.391 65.377 -43.964 172 HA ARG 21 HA ARG 21 36.097 67.476 -45.628 173 1HB ARG 21 1HB ARG 21 36.320 64.608 -46.241 174 2HB ARG 21 2HB ARG 21 34.664 65.214 -46.290 175 1HG ARG 21 1HG ARG 21 35.870 67.213 -47.618 176 2HG ARG 21 2HG ARG 21 36.988 65.909 -48.018 177 1HD ARG 21 1HD ARG 21 35.114 64.538 -48.836 178 2HD ARG 21 2HD ARG 21 33.983 65.824 -48.419 179 HE ARG 21 HE ARG 21 36.159 66.314 -50.406 180 1HH1 ARG 21 1HH1 ARG 21 34.851 68.650 -50.532 181 2HH1 ARG 21 2HH1 ARG 21 33.398 68.419 -51.447 182 1HH2 ARG 21 1HH2 ARG 21 33.420 64.968 -51.113 183 2HH2 ARG 21 2HH2 ARG 21 32.589 66.335 -51.777 184 H LYS 22 H LYS 22 36.251 66.881 -42.763 185 HA LYS 22 HA LYS 22 34.851 66.445 -40.895 186 1HB LYS 22 2HB LYS 22 33.063 68.081 -40.802 187 2HB LYS 22 1HB LYS 22 33.041 68.220 -42.559 188 1HG LYS 22 1HG LYS 22 35.176 69.137 -40.637 189 2HG LYS 22 2HG LYS 22 35.500 68.946 -42.360 190 1HD LYS 22 1HD LYS 22 33.289 70.665 -41.194 191 2HD LYS 22 2HD LYS 22 34.835 71.277 -41.781 192 1HE LYS 22 1HE LYS 22 34.120 71.225 -43.916 193 2HE LYS 22 2HE LYS 22 33.613 69.544 -43.756 194 1HZ LYS 22 1HZ LYS 22 31.957 71.579 -42.474 195 2HZ LYS 22 2HZ LYS 22 31.898 71.486 -44.166 196 3HZ LYS 22 3HZ LYS 22 31.504 70.125 -43.229 197 H GLY 23 H GLY 23 34.161 64.258 -40.946 198 1HA GLY 23 1HA GLY 23 31.754 63.303 -40.786 199 2HA GLY 23 2HA GLY 23 31.647 63.750 -42.490 200 H ASP 24 H ASP 24 33.516 62.818 -43.866 201 HA ASP 24 HA ASP 24 33.451 59.986 -43.746 202 1HB ASP 24 1HB ASP 24 35.463 61.872 -45.012 203 2HB ASP 24 2HB ASP 24 35.493 60.124 -45.249 204 H GLU 25 H GLU 25 34.752 58.516 -42.605 205 HA GLU 25 HA GLU 25 36.428 59.725 -40.508 206 1HB GLU 25 1HB GLU 25 35.861 56.791 -41.028 207 2HB GLU 25 2HB GLU 25 36.530 57.492 -39.554 208 1HG GLU 25 2HG GLU 25 34.112 58.883 -40.160 209 2HG GLU 25 1HG GLU 25 34.453 57.843 -38.776 210 H TYR 26 H TYR 26 38.585 58.607 -40.061 211 HA TYR 26 HA TYR 26 39.965 57.995 -42.636 212 1HB TYR 26 1HB TYR 26 41.027 59.711 -40.372 213 2HB TYR 26 2HB TYR 26 41.870 59.339 -41.876 214 HD1 TYR 26 HD1 TYR 26 38.518 60.686 -40.760 215 HD2 TYR 26 HD2 TYR 26 41.754 60.907 -43.579 216 HE1 TYR 26 HE1 TYR 26 37.424 62.607 -41.898 217 HE2 TYR 26 HE2 TYR 26 40.646 62.821 -44.700 218 HH TYR 26 HH TYR 26 38.501 63.811 -44.938 219 H PHE 27 H PHE 27 41.105 56.124 -42.540 220 HA PHE 27 HA PHE 27 41.448 54.789 -39.911 221 1HB PHE 27 1HB PHE 27 40.687 53.833 -42.391 222 2HB PHE 27 2HB PHE 27 42.391 53.383 -42.321 223 HD1 PHE 27 HD1 PHE 27 42.764 52.945 -39.411 224 HD2 PHE 27 HD2 PHE 27 39.531 51.815 -42.002 225 HE1 PHE 27 HE1 PHE 27 42.203 51.069 -37.891 226 HE2 PHE 27 HE2 PHE 27 38.968 49.938 -40.482 227 HZ PHE 27 HZ PHE 27 40.305 49.565 -38.426 228 H ILE 28 H ILE 28 43.445 54.607 -38.971 229 HA ILE 28 HA ILE 28 45.657 56.054 -40.195 230 HB ILE 28 HB ILE 28 45.865 54.368 -37.719 231 1HG1 ILE 28 2HG1 ILE 28 45.189 56.667 -36.622 232 2HG1 ILE 28 1HG1 ILE 28 43.932 55.553 -37.154 233 1HG2 ILE 28 1HG2 ILE 28 47.110 56.974 -38.646 234 2HG2 ILE 28 2HG2 ILE 28 47.424 56.202 -37.092 235 3HG2 ILE 28 3HG2 ILE 28 47.907 55.402 -38.588 236 1HD1 ILE 28 1HD1 ILE 28 44.955 57.546 -39.139 237 2HD1 ILE 28 2HD1 ILE 28 43.335 56.872 -38.960 238 3HD1 ILE 28 3HD1 ILE 28 43.893 58.132 -37.859 239 H LEU 29 H LEU 29 46.462 54.991 -41.946 240 HA LEU 29 HA LEU 29 46.925 52.178 -42.109 241 1HB LEU 29 1HB LEU 29 47.991 54.610 -43.555 242 2HB LEU 29 2HB LEU 29 48.515 52.979 -43.973 243 HG LEU 29 HG LEU 29 46.703 53.497 -45.430 244 1HD1 LEU 29 1HD1 LEU 29 46.670 51.305 -43.880 245 2HD1 LEU 29 2HD1 LEU 29 45.136 52.018 -43.382 246 3HD1 LEU 29 3HD1 LEU 29 45.417 51.626 -45.078 247 1HD2 LEU 29 1HD2 LEU 29 45.839 55.408 -44.098 248 2HD2 LEU 29 2HD2 LEU 29 44.555 54.341 -44.661 249 3HD2 LEU 29 3HD2 LEU 29 45.096 54.259 -42.987 250 H GLU 30 H GLU 30 48.415 54.615 -40.275 251 HA GLU 30 HA GLU 30 50.543 52.787 -39.447 252 1HB GLU 30 1HB GLU 30 51.484 53.927 -41.480 253 2HB GLU 30 2HB GLU 30 51.290 55.471 -40.651 254 1HG GLU 30 1HG GLU 30 52.613 54.099 -38.735 255 2HG GLU 30 2HG GLU 30 53.258 53.298 -40.168 256 H GLU 31 H GLU 31 51.549 55.944 -38.845 257 HA GLU 31 HA GLU 31 49.856 57.081 -36.996 258 1HB GLU 31 1HB GLU 31 50.858 56.013 -34.818 259 2HB GLU 31 2HB GLU 31 49.566 55.167 -35.665 260 1HG GLU 31 1HG GLU 31 50.909 53.426 -36.167 261 2HG GLU 31 2HG GLU 31 52.191 54.493 -36.740 262 H SER 32 H SER 32 51.490 57.722 -34.824 263 HA SER 32 HA SER 32 54.202 58.147 -35.150 264 1HB SER 32 1HB SER 32 54.121 60.557 -36.126 265 2HB SER 32 2HB SER 32 54.021 59.204 -37.248 266 HG SER 32 HG SER 32 52.128 59.909 -37.789 267 H ASN 33 H ASN 33 54.964 59.359 -33.406 268 HA ASN 33 HA ASN 33 53.427 59.877 -31.176 269 1HB ASN 33 1HB ASN 33 56.058 60.473 -31.977 270 2HB ASN 33 2HB ASN 33 55.370 62.011 -31.454 271 2HD2 ASN 33 1HD2 ASN 33 57.278 59.827 -30.163 272 1HD2 ASN 33 2HD2 ASN 33 56.647 59.682 -28.593 273 H LEU 34 H LEU 34 54.200 62.308 -33.687 274 HA LEU 34 HA LEU 34 52.840 64.521 -32.754 275 1HB LEU 34 1HB LEU 34 53.169 63.357 -35.504 276 2HB LEU 34 2HB LEU 34 52.173 64.794 -35.293 277 HG LEU 34 HG LEU 34 54.642 65.209 -35.808 278 1HD1 LEU 34 1HD1 LEU 34 52.965 66.796 -34.634 279 2HD1 LEU 34 2HD1 LEU 34 53.816 66.368 -33.150 280 3HD1 LEU 34 3HD1 LEU 34 54.683 67.155 -34.468 281 1HD2 LEU 34 1HD2 LEU 34 54.880 64.236 -32.944 282 2HD2 LEU 34 2HD2 LEU 34 55.568 63.449 -34.365 283 3HD2 LEU 34 3HD2 LEU 34 56.167 65.027 -33.855 284 1HB PRO 35 1HB PRO 35 47.424 65.899 -33.511 285 2HB PRO 35 2HB PRO 35 48.150 65.747 -31.902 286 1HG PRO 35 2HG PRO 35 49.543 67.447 -32.630 287 2HG PRO 35 1HG PRO 35 49.243 67.085 -34.338 288 1HD PRO 35 1HD PRO 35 51.295 66.050 -34.324 289 2HD PRO 35 2HD PRO 35 51.370 66.054 -32.551 290 H TRP 36 H TRP 36 49.649 64.903 -35.663 291 HA TRP 36 HA TRP 36 47.341 63.827 -37.103 292 1HB TRP 36 1HB TRP 36 48.646 64.516 -39.130 293 2HB TRP 36 2HB TRP 36 48.435 65.829 -37.972 294 HD1 TRP 36 HD1 TRP 36 51.055 63.128 -38.864 295 HE1 TRP 36 HE1 TRP 36 53.397 64.090 -38.373 296 HE3 TRP 36 HE3 TRP 36 49.753 67.648 -36.877 297 HZ2 TRP 36 HZ2 TRP 36 54.562 66.464 -37.282 298 HZ3 TRP 36 HZ3 TRP 36 51.495 69.239 -36.121 299 HH2 TRP 36 HH2 TRP 36 53.896 68.654 -36.320 300 H TRP 37 H TRP 37 47.773 62.194 -38.960 301 HA TRP 37 HA TRP 37 50.045 60.392 -38.296 302 1HB TRP 37 1HB TRP 37 47.316 59.207 -38.736 303 2HB TRP 37 2HB TRP 37 48.731 58.481 -37.975 304 HD1 TRP 37 HD1 TRP 37 45.913 60.967 -37.318 305 HE1 TRP 37 HE1 TRP 37 45.717 61.355 -34.777 306 HE3 TRP 37 HE3 TRP 37 50.020 58.403 -35.716 307 HZ2 TRP 37 HZ2 TRP 37 47.118 60.668 -32.381 308 HZ3 TRP 37 HZ3 TRP 37 50.567 58.282 -33.301 309 HH2 TRP 37 HH2 TRP 37 49.123 59.411 -31.633 310 H ARG 38 H ARG 38 49.199 58.291 -39.988 311 HA ARG 38 HA ARG 38 49.208 59.627 -42.667 312 1HB ARG 38 1HB ARG 38 50.487 56.945 -42.098 313 2HB ARG 38 2HB ARG 38 50.750 58.011 -43.478 314 1HG ARG 38 1HG ARG 38 51.398 58.983 -40.709 315 2HG ARG 38 2HG ARG 38 52.536 57.934 -41.554 316 1HD ARG 38 1HD ARG 38 51.392 60.444 -42.796 317 2HD ARG 38 2HD ARG 38 52.905 60.429 -41.890 318 HE ARG 38 HE ARG 38 53.281 58.423 -43.736 319 1HH1 ARG 38 1HH1 ARG 38 51.301 59.907 -45.453 320 2HH1 ARG 38 2HH1 ARG 38 52.335 60.970 -46.349 321 1HH2 ARG 38 1HH2 ARG 38 55.039 60.569 -44.215 322 2HH2 ARG 38 2HH2 ARG 38 54.451 61.345 -45.648 323 H ALA 39 H ALA 39 46.841 59.371 -42.406 324 HA ALA 39 HA ALA 39 45.934 56.539 -42.683 325 1HB ALA 39 3HB ALA 39 44.619 57.300 -40.965 326 2HB ALA 39 1HB ALA 39 44.829 58.986 -41.422 327 3HB ALA 39 2HB ALA 39 43.658 57.981 -42.273 328 H ARG 40 H ARG 40 43.893 56.350 -44.034 329 HA ARG 40 HA ARG 40 44.132 58.040 -46.487 330 1HB ARG 40 1HB ARG 40 44.723 55.770 -47.055 331 2HB ARG 40 2HB ARG 40 43.352 55.128 -46.151 332 1HG ARG 40 1HG ARG 40 42.316 57.014 -48.012 333 2HG ARG 40 2HG ARG 40 43.436 55.972 -48.892 334 1HD ARG 40 1HD ARG 40 41.904 54.336 -47.112 335 2HD ARG 40 2HD ARG 40 40.790 55.360 -48.018 336 HE ARG 40 HE ARG 40 42.381 54.447 -50.015 337 1HH1 ARG 40 1HH1 ARG 40 40.560 53.010 -47.477 338 2HH1 ARG 40 2HH1 ARG 40 40.556 51.431 -48.187 339 1HH2 ARG 40 1HH2 ARG 40 42.538 52.346 -50.880 340 2HH2 ARG 40 2HH2 ARG 40 41.675 51.055 -50.114 341 H ASP 41 H ASP 41 42.539 59.545 -46.146 342 HA ASP 41 HA ASP 41 40.226 59.320 -44.621 343 1HB ASP 41 2HB ASP 41 41.050 61.388 -45.766 344 2HB ASP 41 1HB ASP 41 39.312 61.150 -45.897 345 H LYS 42 H LYS 42 37.917 59.416 -45.705 346 HA LYS 42 HA LYS 42 37.451 56.774 -46.817 347 1HB LYS 42 1HB LYS 42 35.906 58.315 -45.319 348 2HB LYS 42 2HB LYS 42 35.356 58.916 -46.885 349 1HG LYS 42 1HG LYS 42 34.140 57.054 -47.242 350 2HG LYS 42 2HG LYS 42 35.535 56.025 -46.913 351 1HD LYS 42 1HD LYS 42 35.080 56.569 -44.417 352 2HD LYS 42 2HD LYS 42 33.490 57.092 -44.974 353 1HE LYS 42 1HE LYS 42 33.767 54.683 -46.263 354 2HE LYS 42 2HE LYS 42 34.594 54.371 -44.738 355 1HZ LYS 42 1HZ LYS 42 32.620 55.287 -43.593 356 2HZ LYS 42 2HZ LYS 42 31.826 55.381 -45.092 357 3HZ LYS 42 3HZ LYS 42 32.289 53.871 -44.474 358 H ASN 43 H ASN 43 38.414 59.682 -48.201 359 HA ASN 43 HA ASN 43 36.963 59.395 -50.723 360 1HB ASN 43 1HB ASN 43 38.513 61.415 -49.471 361 2HB ASN 43 2HB ASN 43 39.343 60.998 -50.970 362 2HD2 ASN 43 1HD2 ASN 43 37.609 63.426 -50.217 363 1HD2 ASN 43 2HD2 ASN 43 36.450 63.505 -51.455 364 H GLY 44 H GLY 44 39.227 57.502 -49.375 365 1HA GLY 44 1HA GLY 44 40.610 55.849 -50.301 366 2HA GLY 44 2HA GLY 44 40.012 56.325 -51.891 367 H GLN 45 H GLN 45 41.718 58.323 -49.469 368 HA GLN 45 HA GLN 45 44.010 58.489 -51.359 369 1HB GLN 45 1HB GLN 45 42.246 60.469 -51.400 370 2HB GLN 45 2HB GLN 45 43.083 60.955 -49.925 371 1HG GLN 45 2HG GLN 45 45.247 60.548 -51.377 372 2HG GLN 45 1HG GLN 45 44.350 62.058 -51.537 373 2HE2 GLN 45 1HE2 GLN 45 43.138 62.403 -53.511 374 1HE2 GLN 45 2HE2 GLN 45 43.284 61.372 -54.852 375 H GLU 46 H GLU 46 45.847 58.064 -50.248 376 HA GLU 46 HA GLU 46 45.787 58.009 -47.307 377 1HB GLU 46 2HB GLU 46 47.781 56.781 -47.443 378 2HB GLU 46 1HB GLU 46 48.244 57.525 -48.976 379 1HG GLU 46 1HG GLU 46 45.879 55.655 -48.615 380 2HG GLU 46 2HG GLU 46 46.478 56.309 -50.141 381 H GLY 47 H GLY 47 46.823 59.530 -45.992 382 1HA GLY 47 1HA GLY 47 48.846 61.322 -46.945 383 2HA GLY 47 2HA GLY 47 47.276 62.113 -47.009 384 H TYR 48 H TYR 48 48.660 63.472 -45.419 385 HA TYR 48 HA TYR 48 48.857 62.414 -42.696 386 1HB TYR 48 1HB TYR 48 50.485 64.003 -42.804 387 2HB TYR 48 2HB TYR 48 49.725 64.811 -44.168 388 HD1 TYR 48 HD1 TYR 48 47.508 66.165 -43.568 389 HD2 TYR 48 HD2 TYR 48 50.565 65.101 -40.746 390 HE1 TYR 48 HE1 TYR 48 46.754 67.987 -42.068 391 HE2 TYR 48 HE2 TYR 48 49.810 66.928 -39.247 392 HH TYR 48 HH TYR 48 48.410 68.620 -38.973 393 H ILE 49 H ILE 49 47.384 62.777 -41.052 394 HA ILE 49 HA ILE 49 45.049 64.513 -41.672 395 HB ILE 49 HB ILE 49 45.078 61.680 -40.739 396 1HG1 ILE 49 2HG1 ILE 49 43.881 63.186 -43.037 397 2HG1 ILE 49 1HG1 ILE 49 43.256 61.604 -42.561 398 1HG2 ILE 49 1HG2 ILE 49 43.336 63.744 -39.808 399 2HG2 ILE 49 2HG2 ILE 49 42.409 62.667 -40.853 400 3HG2 ILE 49 3HG2 ILE 49 43.261 62.019 -39.451 401 1HD1 ILE 49 1HD1 ILE 49 46.028 61.275 -42.554 402 2HD1 ILE 49 2HD1 ILE 49 44.921 60.711 -43.805 403 3HD1 ILE 49 3HD1 ILE 49 45.723 62.273 -43.975 404 1HB PRO 50 1HB PRO 50 44.327 67.882 -37.428 405 2HB PRO 50 2HB PRO 50 45.798 68.085 -38.395 406 1HG PRO 50 2HG PRO 50 44.325 68.378 -40.154 407 2HG PRO 50 1HG PRO 50 43.008 67.545 -39.309 408 1HD PRO 50 1HD PRO 50 43.492 65.725 -40.628 409 2HD PRO 50 2HD PRO 50 45.023 66.444 -41.173 410 H SER 51 H SER 51 45.422 66.019 -35.464 411 HA SER 51 HA SER 51 43.013 64.283 -35.150 412 1HB SER 51 1HB SER 51 45.479 64.674 -33.463 413 2HB SER 51 2HB SER 51 44.018 63.952 -32.799 414 HG SER 51 HG SER 51 44.319 62.698 -35.002 415 H ASN 52 H ASN 52 44.392 67.383 -34.409 416 HA ASN 52 HA ASN 52 42.618 68.028 -32.211 417 1HB ASN 52 1HB ASN 52 43.327 70.433 -32.854 418 2HB ASN 52 2HB ASN 52 44.589 69.328 -32.309 419 2HD2 ASN 52 1HD2 ASN 52 46.047 70.832 -33.635 420 1HD2 ASN 52 2HD2 ASN 52 46.182 70.541 -35.301 421 H TYR 53 H TYR 53 42.089 67.692 -35.535 422 HA TYR 53 HA TYR 53 39.569 69.289 -35.292 423 1HB TYR 53 1HB TYR 53 41.356 69.051 -37.735 424 2HB TYR 53 2HB TYR 53 39.794 69.869 -37.694 425 HD1 TYR 53 HD1 TYR 53 39.697 71.401 -35.316 426 HD2 TYR 53 HD2 TYR 53 43.112 70.577 -37.788 427 HE1 TYR 53 HE1 TYR 53 40.797 73.463 -34.485 428 HE2 TYR 53 HE2 TYR 53 44.212 72.638 -36.958 429 HH TYR 53 HH TYR 53 42.975 74.426 -34.274 430 H VAL 54 H VAL 54 39.883 66.496 -34.764 431 HA VAL 54 HA VAL 54 38.010 65.402 -36.780 432 HB VAL 54 HB VAL 54 39.343 63.460 -37.244 433 1HG1 VAL 54 1HG1 VAL 54 39.857 65.723 -38.378 434 2HG1 VAL 54 2HG1 VAL 54 41.316 65.720 -37.389 435 3HG1 VAL 54 3HG1 VAL 54 41.033 64.422 -38.551 436 1HG2 VAL 54 1HG2 VAL 54 41.035 64.579 -35.031 437 2HG2 VAL 54 2HG2 VAL 54 40.392 62.947 -35.218 438 3HG2 VAL 54 3HG2 VAL 54 41.734 63.486 -36.225 439 H THR 55 H THR 55 38.605 62.706 -35.704 440 HA THR 55 HA THR 55 37.997 62.822 -32.881 441 HB THR 55 HB THR 55 35.894 62.697 -34.948 442 HG1 THR 55 HG1 THR 55 36.410 64.272 -33.135 443 1HG2 THR 55 1HG2 THR 55 35.841 60.383 -33.909 444 2HG2 THR 55 2HG2 THR 55 35.512 61.168 -32.367 445 3HG2 THR 55 3HG2 THR 55 34.369 61.322 -33.698 446 H GLU 56 H GLU 56 37.137 60.316 -32.382 447 HA GLU 56 HA GLU 56 37.822 58.097 -32.342 448 1HB GLU 56 1HB GLU 56 38.124 58.681 -35.273 449 2HB GLU 56 2HB GLU 56 38.366 57.082 -34.585 450 1HG GLU 56 1HG GLU 56 35.860 58.515 -33.851 451 2HG GLU 56 2HG GLU 56 35.975 57.882 -35.493 452 H ALA 57 H ALA 57 40.110 57.701 -34.680 453 HA ALA 57 HA ALA 57 42.261 57.595 -32.810 454 1HB ALA 57 1HB ALA 57 41.820 56.965 -35.576 455 2HB ALA 57 2HB ALA 57 43.325 57.871 -35.426 456 3HB ALA 57 3HB ALA 57 43.097 56.384 -34.508 457 H GLU 58 H GLU 58 41.495 60.047 -32.201 458 HA GLU 58 HA GLU 58 43.052 61.988 -33.825 459 1HB GLU 58 1HB GLU 58 41.947 63.691 -32.372 460 2HB GLU 58 2HB GLU 58 40.785 62.669 -33.220 461 1HG GLU 58 1HG GLU 58 40.063 61.665 -31.300 462 2HG GLU 58 2HG GLU 58 41.670 61.673 -30.572 No H/Q in entry = 462 Start of MODEL 4 1 H1 LEU 1 H1 LEU 1 39.114 48.852 -35.715 2 H2 LEU 1 H2 LEU 1 40.036 47.540 -36.277 3 H3 LEU 1 H3 LEU 1 40.687 48.602 -35.125 4 HA LEU 1 HA LEU 1 41.669 49.179 -37.181 5 1HB LEU 1 1HB LEU 1 39.667 48.016 -38.410 6 2HB LEU 1 2HB LEU 1 38.949 49.628 -38.387 7 HG LEU 1 HG LEU 1 41.427 50.266 -39.244 8 1HD1 LEU 1 1HD1 LEU 1 40.986 47.369 -39.845 9 2HD1 LEU 1 2HD1 LEU 1 41.734 48.367 -41.093 10 3HD1 LEU 1 3HD1 LEU 1 42.489 48.229 -39.504 11 1HD2 LEU 1 1HD2 LEU 1 38.997 49.339 -40.782 12 2HD2 LEU 1 2HD2 LEU 1 39.519 50.992 -40.457 13 3HD2 LEU 1 3HD2 LEU 1 40.412 49.995 -41.606 14 H LYS 2 H LYS 2 42.376 51.204 -36.753 15 HA LYS 2 HA LYS 2 40.817 53.144 -35.327 16 1HB LYS 2 1HB LYS 2 43.446 53.196 -36.784 17 2HB LYS 2 2HB LYS 2 42.731 54.703 -36.212 18 1HG LYS 2 1HG LYS 2 44.288 53.691 -34.545 19 2HG LYS 2 2HG LYS 2 42.641 53.842 -33.931 20 1HD LYS 2 1HD LYS 2 42.204 51.528 -34.210 21 2HD LYS 2 2HD LYS 2 43.604 51.309 -35.261 22 1HE LYS 2 1HE LYS 2 44.207 50.418 -33.111 23 2HE LYS 2 2HE LYS 2 45.056 51.955 -33.282 24 1HZ LYS 2 1HZ LYS 2 42.403 51.803 -31.994 25 2HZ LYS 2 2HZ LYS 2 43.821 51.510 -31.113 26 3HZ LYS 2 3HZ LYS 2 43.582 53.019 -31.858 27 H LYS 3 H LYS 3 39.942 55.154 -36.114 28 HA LYS 3 HA LYS 3 39.803 55.601 -39.013 29 1HB LYS 3 2HB LYS 3 38.007 53.909 -38.507 30 2HB LYS 3 1HB LYS 3 37.401 55.416 -39.194 31 1HG LYS 3 1HG LYS 3 37.608 55.207 -36.216 32 2HG LYS 3 2HG LYS 3 36.437 56.086 -37.199 33 1HD LYS 3 1HD LYS 3 34.995 54.366 -37.067 34 2HD LYS 3 2HD LYS 3 36.197 53.284 -37.771 35 1HE LYS 3 1HE LYS 3 37.239 53.237 -35.396 36 2HE LYS 3 2HE LYS 3 35.690 53.888 -34.861 37 1HZ LYS 3 1HZ LYS 3 35.540 51.627 -36.668 38 2HZ LYS 3 2HZ LYS 3 36.190 51.286 -35.135 39 3HZ LYS 3 3HZ LYS 3 34.640 51.963 -35.267 40 H VAL 4 H VAL 4 40.994 57.376 -37.499 41 HA VAL 4 HA VAL 4 39.678 59.218 -35.900 42 HB VAL 4 HB VAL 4 42.061 59.428 -36.499 43 1HG1 VAL 4 1HG1 VAL 4 41.623 58.842 -38.945 44 2HG1 VAL 4 2HG1 VAL 4 41.126 60.521 -39.159 45 3HG1 VAL 4 3HG1 VAL 4 42.777 60.146 -38.663 46 1HG2 VAL 4 1HG2 VAL 4 40.139 61.567 -36.416 47 2HG2 VAL 4 2HG2 VAL 4 41.804 61.563 -35.834 48 3HG2 VAL 4 3HG2 VAL 4 41.455 62.015 -37.502 49 H VAL 5 H VAL 5 37.805 60.364 -36.204 50 HA VAL 5 HA VAL 5 36.770 60.621 -38.936 51 HB VAL 5 HB VAL 5 35.645 60.335 -36.338 52 1HG1 VAL 5 1HG1 VAL 5 35.457 62.834 -36.379 53 2HG1 VAL 5 2HG1 VAL 5 34.542 62.705 -37.879 54 3HG1 VAL 5 3HG1 VAL 5 33.890 62.031 -36.385 55 1HG2 VAL 5 1HG2 VAL 5 35.049 59.951 -39.137 56 2HG2 VAL 5 2HG2 VAL 5 34.477 59.046 -37.735 57 3HG2 VAL 5 3HG2 VAL 5 33.624 60.501 -38.254 58 H ALA 6 H ALA 6 37.044 62.418 -40.123 59 HA ALA 6 HA ALA 6 38.490 64.685 -39.360 60 1HB ALA 6 3HB ALA 6 38.145 65.071 -41.556 61 2HB ALA 6 1HB ALA 6 36.829 63.898 -41.584 62 3HB ALA 6 2HB ALA 6 36.502 65.581 -41.174 63 H LEU 7 H LEU 7 37.306 67.004 -39.478 64 HA LEU 7 HA LEU 7 34.805 67.066 -37.932 65 1HB LEU 7 1HB LEU 7 37.179 67.013 -36.542 66 2HB LEU 7 2HB LEU 7 36.893 68.741 -36.708 67 HG LEU 7 HG LEU 7 35.900 67.677 -34.647 68 1HD1 LEU 7 1HD1 LEU 7 34.684 69.473 -36.578 69 2HD1 LEU 7 2HD1 LEU 7 33.452 68.623 -35.644 70 3HD1 LEU 7 3HD1 LEU 7 34.688 69.571 -34.817 71 1HD2 LEU 7 1HD2 LEU 7 35.164 65.626 -36.113 72 2HD2 LEU 7 2HD2 LEU 7 34.126 66.160 -34.790 73 3HD2 LEU 7 3HD2 LEU 7 33.743 66.617 -36.450 74 H TYR 8 H TYR 8 37.575 69.118 -38.896 75 HA TYR 8 HA TYR 8 35.578 71.073 -39.969 76 1HB TYR 8 2HB TYR 8 37.039 72.858 -39.352 77 2HB TYR 8 1HB TYR 8 38.372 71.750 -39.026 78 HD1 TYR 8 HD1 TYR 8 35.083 72.965 -37.830 79 HD2 TYR 8 HD2 TYR 8 38.502 70.516 -36.950 80 HE1 TYR 8 HE1 TYR 8 34.332 72.762 -35.475 81 HE2 TYR 8 HE2 TYR 8 37.749 70.313 -34.595 82 HH TYR 8 HH TYR 8 35.296 72.281 -33.275 83 H ASP 9 H ASP 9 35.743 71.469 -42.126 84 HA ASP 9 HA ASP 9 37.227 70.010 -43.937 85 1HB ASP 9 1HB ASP 9 35.636 72.351 -44.042 86 2HB ASP 9 2HB ASP 9 37.135 72.728 -44.892 87 H TYR 10 H TYR 10 39.385 69.750 -44.211 88 HA TYR 10 HA TYR 10 41.159 72.108 -43.809 89 1HB TYR 10 1HB TYR 10 41.194 70.676 -41.749 90 2HB TYR 10 2HB TYR 10 41.759 69.335 -42.743 91 HD1 TYR 10 HD1 TYR 10 42.603 72.730 -41.508 92 HD2 TYR 10 HD2 TYR 10 44.028 69.205 -43.507 93 HE1 TYR 10 HE1 TYR 10 44.931 73.560 -41.311 94 HE2 TYR 10 HE2 TYR 10 46.356 70.036 -43.311 95 HH TYR 10 HH TYR 10 47.365 72.212 -41.275 96 H MET 11 H MET 11 42.007 72.375 -45.823 97 HA MET 11 HA MET 11 42.324 70.132 -47.647 98 1HB MET 11 1HB MET 11 42.527 73.071 -47.772 99 2HB MET 11 2HB MET 11 43.655 72.217 -48.826 100 1HG MET 11 1HG MET 11 41.993 71.406 -50.165 101 2HG MET 11 2HG MET 11 40.885 71.166 -48.814 102 1HE MET 11 1HE MET 11 40.009 72.865 -47.467 103 2HE MET 11 2HE MET 11 39.363 74.417 -48.015 104 3HE MET 11 3HE MET 11 38.661 72.911 -48.601 105 1HB PRO 12 1HB PRO 12 47.510 68.884 -49.482 106 2HB PRO 12 2HB PRO 12 46.457 67.720 -48.658 107 1HG PRO 12 2HG PRO 12 45.024 68.098 -50.432 108 2HG PRO 12 1HG PRO 12 45.786 69.645 -50.836 109 1HD PRO 12 1HD PRO 12 44.010 70.658 -49.787 110 2HD PRO 12 2HD PRO 12 43.456 69.115 -49.102 111 H MET 13 H MET 13 47.720 70.984 -46.119 112 HA MET 13 HA MET 13 49.148 72.667 -48.091 113 1HB MET 13 1HB MET 13 47.301 73.723 -45.943 114 2HB MET 13 2HB MET 13 48.588 74.707 -46.639 115 1HG MET 13 1HG MET 13 47.593 74.043 -48.931 116 2HG MET 13 2HG MET 13 46.172 73.537 -48.016 117 1HE MET 13 1HE MET 13 44.724 74.887 -49.202 118 2HE MET 13 2HE MET 13 44.551 76.639 -49.157 119 3HE MET 13 3HE MET 13 45.754 75.908 -50.216 120 H ASN 14 H ASN 14 49.517 70.570 -45.784 121 HA ASN 14 HA ASN 14 51.526 72.130 -44.219 122 1HB ASN 14 1HB ASN 14 49.646 70.012 -43.543 123 2HB ASN 14 2HB ASN 14 51.293 69.586 -43.078 124 2HD2 ASN 14 1HD2 ASN 14 52.393 72.021 -42.333 125 1HD2 ASN 14 2HD2 ASN 14 51.523 72.693 -41.040 126 H ALA 15 H ALA 15 51.183 68.750 -45.368 127 HA ALA 15 HA ALA 15 53.761 68.936 -46.763 128 1HB ALA 15 1HB ALA 15 54.250 68.460 -44.287 129 2HB ALA 15 2HB ALA 15 53.490 66.891 -44.553 130 3HB ALA 15 3HB ALA 15 54.940 67.332 -45.455 131 H ASN 16 H ASN 16 51.448 66.541 -45.423 132 HA ASN 16 HA ASN 16 50.867 65.608 -48.150 133 1HB ASN 16 1HB ASN 16 52.937 64.366 -46.772 134 2HB ASN 16 2HB ASN 16 51.550 63.320 -46.460 135 2HD2 ASN 16 1HD2 ASN 16 52.237 61.623 -47.917 136 1HD2 ASN 16 2HD2 ASN 16 52.276 61.840 -49.599 137 H ASP 17 H ASP 17 49.585 66.659 -45.521 138 HA ASP 17 HA ASP 17 47.913 64.558 -44.512 139 1HB ASP 17 1HB ASP 17 48.383 66.938 -43.544 140 2HB ASP 17 2HB ASP 17 47.054 67.443 -44.589 141 H LEU 18 H LEU 18 45.617 64.144 -45.033 142 HA LEU 18 HA LEU 18 45.085 64.704 -47.892 143 1HB LEU 18 2HB LEU 18 43.421 62.970 -47.724 144 2HB LEU 18 1HB LEU 18 43.504 62.994 -45.959 145 HG LEU 18 HG LEU 18 46.103 62.592 -46.522 146 1HD1 LEU 18 1HD1 LEU 18 43.852 60.992 -45.710 147 2HD1 LEU 18 2HD1 LEU 18 44.958 60.012 -46.673 148 3HD1 LEU 18 3HD1 LEU 18 45.543 60.845 -45.232 149 1HD2 LEU 18 1HD2 LEU 18 44.721 62.178 -49.005 150 2HD2 LEU 18 2HD2 LEU 18 46.446 62.026 -48.671 151 3HD2 LEU 18 3HD2 LEU 18 45.379 60.639 -48.453 152 H GLN 19 H GLN 19 43.014 65.545 -48.572 153 HA GLN 19 HA GLN 19 42.156 67.814 -47.014 154 1HB GLN 19 1HB GLN 19 41.996 67.766 -49.480 155 2HB GLN 19 2HB GLN 19 40.794 66.478 -49.374 156 1HG GLN 19 1HG GLN 19 39.909 68.528 -47.639 157 2HG GLN 19 2HG GLN 19 40.409 69.326 -49.130 158 2HE2 GLN 19 1HE2 GLN 19 38.879 69.310 -50.787 159 1HE2 GLN 19 2HE2 GLN 19 37.568 68.236 -50.888 160 H LEU 20 H LEU 20 40.703 67.841 -45.371 161 HA LEU 20 HA LEU 20 39.301 65.371 -44.669 162 1HB LEU 20 1HB LEU 20 39.215 68.108 -43.381 163 2HB LEU 20 2HB LEU 20 38.535 66.633 -42.701 164 HG LEU 20 HG LEU 20 41.345 67.534 -42.814 165 1HD1 LEU 20 1HD1 LEU 20 39.443 66.280 -41.014 166 2HD1 LEU 20 2HD1 LEU 20 40.992 65.438 -40.999 167 3HD1 LEU 20 3HD1 LEU 20 40.924 67.161 -40.637 168 1HD2 LEU 20 1HD2 LEU 20 40.567 64.682 -43.484 169 2HD2 LEU 20 2HD2 LEU 20 41.625 65.748 -44.406 170 3HD2 LEU 20 3HD2 LEU 20 42.151 65.120 -42.846 171 H ARG 21 H ARG 21 36.921 65.507 -44.117 172 HA ARG 21 HA ARG 21 35.425 67.443 -45.785 173 1HB ARG 21 1HB ARG 21 34.608 64.553 -45.856 174 2HB ARG 21 2HB ARG 21 34.266 65.829 -47.024 175 1HG ARG 21 1HG ARG 21 36.659 65.859 -47.673 176 2HG ARG 21 2HG ARG 21 36.972 64.548 -46.536 177 1HD ARG 21 1HD ARG 21 36.530 63.970 -49.053 178 2HD ARG 21 2HD ARG 21 35.771 62.988 -47.801 179 HE ARG 21 HE ARG 21 33.675 64.244 -48.207 180 1HH1 ARG 21 1HH1 ARG 21 33.803 66.618 -49.448 181 2HH1 ARG 21 2HH1 ARG 21 33.892 66.342 -51.156 182 1HH2 ARG 21 1HH2 ARG 21 34.859 63.026 -50.838 183 2HH2 ARG 21 2HH2 ARG 21 34.490 64.309 -51.943 184 H LYS 22 H LYS 22 35.948 66.890 -42.937 185 HA LYS 22 HA LYS 22 34.793 66.505 -40.909 186 1HB LYS 22 2HB LYS 22 33.233 68.247 -40.559 187 2HB LYS 22 1HB LYS 22 32.707 68.227 -42.245 188 1HG LYS 22 1HG LYS 22 34.762 69.807 -41.068 189 2HG LYS 22 2HG LYS 22 35.536 68.669 -42.170 190 1HD LYS 22 2HD LYS 22 33.541 69.383 -43.769 191 2HD LYS 22 1HD LYS 22 35.000 70.366 -43.655 192 1HE LYS 22 1HE LYS 22 32.948 70.972 -41.620 193 2HE LYS 22 2HE LYS 22 33.910 72.071 -42.609 194 1HZ LYS 22 1HZ LYS 22 31.954 70.499 -44.053 195 2HZ LYS 22 2HZ LYS 22 31.300 71.631 -42.967 196 3HZ LYS 22 3HZ LYS 22 32.351 72.141 -44.200 197 H GLY 23 H GLY 23 34.107 64.369 -40.819 198 1HA GLY 23 1HA GLY 23 31.755 63.375 -40.346 199 2HA GLY 23 2HA GLY 23 31.462 63.734 -42.051 200 H ASP 24 H ASP 24 33.214 62.793 -43.565 201 HA ASP 24 HA ASP 24 33.258 59.980 -43.373 202 1HB ASP 24 1HB ASP 24 34.964 61.961 -44.875 203 2HB ASP 24 2HB ASP 24 35.311 60.234 -44.958 204 H GLU 25 H GLU 25 34.693 58.534 -42.406 205 HA GLU 25 HA GLU 25 36.584 59.744 -40.473 206 1HB GLU 25 1HB GLU 25 36.138 56.786 -40.695 207 2HB GLU 25 2HB GLU 25 36.431 57.767 -39.258 208 1HG GLU 25 2HG GLU 25 34.061 58.808 -40.227 209 2HG GLU 25 1HG GLU 25 34.197 57.634 -38.917 210 H TYR 26 H TYR 26 38.756 58.816 -40.266 211 HA TYR 26 HA TYR 26 39.830 57.889 -42.894 212 1HB TYR 26 2HB TYR 26 41.775 59.223 -42.543 213 2HB TYR 26 1HB TYR 26 41.365 59.510 -40.853 214 HD1 TYR 26 HD1 TYR 26 38.932 59.588 -43.641 215 HD2 TYR 26 HD2 TYR 26 41.298 61.938 -40.934 216 HE1 TYR 26 HE1 TYR 26 37.680 61.612 -44.312 217 HE2 TYR 26 HE2 TYR 26 40.042 63.965 -41.609 218 HH TYR 26 HH TYR 26 38.024 64.042 -44.345 219 H PHE 27 H PHE 27 40.715 55.901 -42.779 220 HA PHE 27 HA PHE 27 41.159 54.587 -40.205 221 1HB PHE 27 2HB PHE 27 41.514 52.612 -41.461 222 2HB PHE 27 1HB PHE 27 42.031 53.510 -42.888 223 HD1 PHE 27 HD1 PHE 27 39.086 54.234 -40.725 224 HD2 PHE 27 HD2 PHE 27 40.464 52.761 -44.517 225 HE1 PHE 27 HE1 PHE 27 36.755 54.231 -41.572 226 HE2 PHE 27 HE2 PHE 27 38.134 52.757 -45.363 227 HZ PHE 27 HZ PHE 27 36.279 53.492 -43.890 228 H ILE 28 H ILE 28 43.039 54.649 -39.116 229 HA ILE 28 HA ILE 28 45.317 56.028 -40.288 230 HB ILE 28 HB ILE 28 45.238 54.591 -37.643 231 1HG1 ILE 28 2HG1 ILE 28 44.665 57.062 -36.899 232 2HG1 ILE 28 1HG1 ILE 28 43.375 55.977 -37.411 233 1HG2 ILE 28 1HG2 ILE 28 46.952 56.639 -38.992 234 2HG2 ILE 28 2HG2 ILE 28 46.740 56.751 -37.245 235 3HG2 ILE 28 3HG2 ILE 28 47.421 55.289 -37.959 236 1HD1 ILE 28 1HD1 ILE 28 44.726 57.627 -39.509 237 2HD1 ILE 28 2HD1 ILE 28 43.051 57.085 -39.419 238 3HD1 ILE 28 3HD1 ILE 28 43.595 58.436 -38.427 239 H LEU 29 H LEU 29 46.496 54.994 -41.704 240 HA LEU 29 HA LEU 29 46.929 52.152 -41.786 241 1HB LEU 29 1HB LEU 29 48.158 54.576 -43.090 242 2HB LEU 29 2HB LEU 29 48.860 52.977 -43.333 243 HG LEU 29 HG LEU 29 46.533 52.201 -44.010 244 1HD1 LEU 29 1HD1 LEU 29 45.313 54.100 -42.991 245 2HD1 LEU 29 2HD1 LEU 29 46.099 55.201 -44.121 246 3HD1 LEU 29 3HD1 LEU 29 44.976 53.981 -44.716 247 1HD2 LEU 29 1HD2 LEU 29 48.520 52.979 -45.516 248 2HD2 LEU 29 2HD2 LEU 29 46.923 52.813 -46.247 249 3HD2 LEU 29 3HD2 LEU 29 47.527 54.409 -45.799 250 H GLU 30 H GLU 30 48.295 54.798 -40.064 251 HA GLU 30 HA GLU 30 49.878 53.148 -38.349 252 1HB GLU 30 1HB GLU 30 51.115 53.517 -40.812 253 2HB GLU 30 2HB GLU 30 51.868 54.736 -39.783 254 1HG GLU 30 1HG GLU 30 51.739 52.479 -38.155 255 2HG GLU 30 2HG GLU 30 52.180 51.836 -39.737 256 H GLU 31 H GLU 31 51.571 54.667 -37.136 257 HA GLU 31 HA GLU 31 50.422 57.420 -36.952 258 1HB GLU 31 1HB GLU 31 50.712 57.215 -34.446 259 2HB GLU 31 2HB GLU 31 49.451 56.182 -35.118 260 1HG GLU 31 1HG GLU 31 50.527 54.306 -34.477 261 2HG GLU 31 2HG GLU 31 52.051 54.870 -35.162 262 H SER 32 H SER 32 52.110 58.334 -34.897 263 HA SER 32 HA SER 32 54.867 57.666 -35.232 264 1HB SER 32 1HB SER 32 53.699 59.545 -37.196 265 2HB SER 32 2HB SER 32 55.181 60.103 -36.425 266 HG SER 32 HG SER 32 55.045 58.487 -38.411 267 H ASN 33 H ASN 33 56.075 60.135 -34.783 268 HA ASN 33 HA ASN 33 55.036 60.758 -32.093 269 1HB ASN 33 1HB ASN 33 57.595 60.772 -33.351 270 2HB ASN 33 2HB ASN 33 57.251 62.422 -32.833 271 2HD2 ASN 33 1HD2 ASN 33 55.602 61.727 -30.532 272 1HD2 ASN 33 2HD2 ASN 33 56.624 61.028 -29.371 273 H LEU 34 H LEU 34 53.188 61.603 -33.891 274 HA LEU 34 HA LEU 34 53.327 64.546 -33.609 275 1HB LEU 34 1HB LEU 34 53.256 63.023 -36.196 276 2HB LEU 34 2HB LEU 34 52.395 64.555 -36.092 277 HG LEU 34 HG LEU 34 55.246 64.326 -35.158 278 1HD1 LEU 34 1HD1 LEU 34 54.314 63.959 -37.848 279 2HD1 LEU 34 2HD1 LEU 34 55.153 65.507 -37.746 280 3HD1 LEU 34 3HD1 LEU 34 55.977 64.022 -37.264 281 1HD2 LEU 34 1HD2 LEU 34 53.384 66.533 -36.046 282 2HD2 LEU 34 2HD2 LEU 34 54.233 66.373 -34.508 283 3HD2 LEU 34 3HD2 LEU 34 55.129 66.776 -35.973 284 1HB PRO 35 1HB PRO 35 47.970 66.320 -34.160 285 2HB PRO 35 2HB PRO 35 48.816 66.367 -32.603 286 1HG PRO 35 2HG PRO 35 50.265 67.800 -33.709 287 2HG PRO 35 1HG PRO 35 49.797 67.187 -35.305 288 1HD PRO 35 1HD PRO 35 51.774 66.007 -35.248 289 2HD PRO 35 2HD PRO 35 51.975 66.273 -33.506 290 H TRP 36 H TRP 36 49.730 65.065 -36.271 291 HA TRP 36 HA TRP 36 47.347 63.678 -37.262 292 1HB TRP 36 1HB TRP 36 48.549 64.159 -39.537 293 2HB TRP 36 2HB TRP 36 47.894 65.518 -38.628 294 HD1 TRP 36 HD1 TRP 36 51.251 63.620 -38.966 295 HE1 TRP 36 HE1 TRP 36 53.163 65.327 -38.683 296 HE3 TRP 36 HE3 TRP 36 48.535 67.828 -37.968 297 HZ2 TRP 36 HZ2 TRP 36 53.494 68.111 -38.108 298 HZ3 TRP 36 HZ3 TRP 36 49.672 69.990 -37.557 299 HH2 TRP 36 HH2 TRP 36 52.146 70.138 -37.626 300 H TRP 37 H TRP 37 47.611 61.856 -38.890 301 HA TRP 37 HA TRP 37 50.107 60.302 -38.343 302 1HB TRP 37 1HB TRP 37 47.432 58.942 -38.549 303 2HB TRP 37 2HB TRP 37 48.927 58.341 -37.832 304 HD1 TRP 37 HD1 TRP 37 45.877 60.433 -37.092 305 HE1 TRP 37 HE1 TRP 37 45.873 61.093 -34.602 306 HE3 TRP 37 HE3 TRP 37 50.552 58.877 -35.754 307 HZ2 TRP 37 HZ2 TRP 37 47.614 60.977 -32.341 308 HZ3 TRP 37 HZ3 TRP 37 51.351 59.164 -33.424 309 HH2 TRP 37 HH2 TRP 37 49.891 60.212 -31.719 310 H ARG 38 H ARG 38 49.208 58.049 -39.852 311 HA ARG 38 HA ARG 38 49.157 59.223 -42.602 312 1HB ARG 38 1HB ARG 38 51.198 57.746 -41.581 313 2HB ARG 38 2HB ARG 38 50.172 56.454 -42.206 314 1HG ARG 38 1HG ARG 38 50.744 58.853 -43.922 315 2HG ARG 38 2HG ARG 38 51.947 57.570 -43.789 316 1HD ARG 38 1HD ARG 38 49.525 56.220 -44.171 317 2HD ARG 38 2HD ARG 38 49.445 57.593 -45.274 318 HE ARG 38 HE ARG 38 52.018 56.384 -45.515 319 1HH1 ARG 38 1HH1 ARG 38 50.010 57.054 -47.728 320 2HH1 ARG 38 2HH1 ARG 38 49.713 55.480 -48.387 321 1HH2 ARG 38 1HH2 ARG 38 51.069 53.799 -45.673 322 2HH2 ARG 38 2HH2 ARG 38 50.313 53.636 -47.223 323 H ALA 39 H ALA 39 46.910 59.108 -42.808 324 HA ALA 39 HA ALA 39 45.770 56.347 -42.716 325 1HB ALA 39 3HB ALA 39 44.237 57.101 -41.226 326 2HB ALA 39 1HB ALA 39 45.066 58.652 -41.193 327 3HB ALA 39 2HB ALA 39 43.759 58.372 -42.340 328 H ARG 40 H ARG 40 43.984 56.000 -44.215 329 HA ARG 40 HA ARG 40 44.191 57.740 -46.624 330 1HB ARG 40 1HB ARG 40 44.577 55.319 -46.993 331 2HB ARG 40 2HB ARG 40 42.992 54.967 -46.307 332 1HG ARG 40 1HG ARG 40 42.450 56.894 -48.237 333 2HG ARG 40 2HG ARG 40 43.685 55.885 -48.992 334 1HD ARG 40 1HD ARG 40 41.209 54.774 -47.646 335 2HD ARG 40 2HD ARG 40 41.324 55.082 -49.378 336 HE ARG 40 HE ARG 40 43.390 53.328 -48.184 337 1HH1 ARG 40 1HH1 ARG 40 41.657 53.976 -50.929 338 2HH1 ARG 40 2HH1 ARG 40 41.234 52.335 -51.289 339 1HH2 ARG 40 1HH2 ARG 40 42.359 51.101 -48.250 340 2HH2 ARG 40 2HH2 ARG 40 41.633 50.707 -49.772 341 H ASP 41 H ASP 41 42.743 59.397 -46.245 342 HA ASP 41 HA ASP 41 40.421 59.317 -44.712 343 1HB ASP 41 1HB ASP 41 39.562 61.123 -46.354 344 2HB ASP 41 2HB ASP 41 41.056 61.447 -45.475 345 H LYS 42 H LYS 42 38.113 59.342 -45.484 346 HA LYS 42 HA LYS 42 37.530 56.896 -46.895 347 1HB LYS 42 1HB LYS 42 36.137 58.586 -45.195 348 2HB LYS 42 2HB LYS 42 35.318 58.809 -46.742 349 1HG LYS 42 1HG LYS 42 34.533 56.662 -46.790 350 2HG LYS 42 2HG LYS 42 35.980 56.008 -46.019 351 1HD LYS 42 1HD LYS 42 34.942 55.992 -44.027 352 2HD LYS 42 2HD LYS 42 34.643 57.726 -44.151 353 1HE LYS 42 2HE LYS 42 32.666 57.155 -45.652 354 2HE LYS 42 1HE LYS 42 32.490 56.697 -43.958 355 1HZ LYS 42 1HZ LYS 42 33.729 54.559 -45.131 356 2HZ LYS 42 2HZ LYS 42 32.088 54.658 -44.698 357 3HZ LYS 42 3HZ LYS 42 32.577 55.041 -46.280 358 H ASN 43 H ASN 43 38.459 59.899 -48.046 359 HA ASN 43 HA ASN 43 36.762 59.952 -50.426 360 1HB ASN 43 1HB ASN 43 38.166 61.880 -49.149 361 2HB ASN 43 2HB ASN 43 39.333 61.442 -50.397 362 2HD2 ASN 43 1HD2 ASN 43 38.992 63.442 -51.599 363 1HD2 ASN 43 2HD2 ASN 43 37.553 63.730 -52.451 364 H GLY 44 H GLY 44 39.029 57.818 -49.549 365 1HA GLY 44 1HA GLY 44 40.210 56.230 -50.816 366 2HA GLY 44 2HA GLY 44 39.560 56.985 -52.273 367 H GLN 45 H GLN 45 41.509 58.469 -49.682 368 HA GLN 45 HA GLN 45 43.709 58.820 -51.659 369 1HB GLN 45 1HB GLN 45 41.963 60.874 -50.817 370 2HB GLN 45 2HB GLN 45 43.472 61.135 -49.942 371 1HG GLN 45 1HG GLN 45 44.743 61.211 -51.972 372 2HG GLN 45 2HG GLN 45 43.379 60.619 -52.922 373 2HE2 GLN 45 1HE2 GLN 45 41.477 62.120 -53.132 374 1HE2 GLN 45 2HE2 GLN 45 41.724 63.795 -53.006 375 H GLU 46 H GLU 46 45.442 57.863 -50.731 376 HA GLU 46 HA GLU 46 45.583 57.521 -47.832 377 1HB GLU 46 1HB GLU 46 47.804 56.955 -49.797 378 2HB GLU 46 2HB GLU 46 47.507 56.188 -48.236 379 1HG GLU 46 1HG GLU 46 45.555 55.062 -49.063 380 2HG GLU 46 2HG GLU 46 45.568 56.004 -50.553 381 H GLY 47 H GLY 47 46.483 58.942 -46.485 382 1HA GLY 47 1HA GLY 47 48.846 60.464 -47.140 383 2HA GLY 47 2HA GLY 47 47.409 61.476 -47.169 384 H TYR 48 H TYR 48 48.210 62.638 -45.305 385 HA TYR 48 HA TYR 48 48.041 61.049 -42.784 386 1HB TYR 48 2HB TYR 48 49.430 62.807 -41.749 387 2HB TYR 48 1HB TYR 48 49.455 63.691 -43.275 388 HD1 TYR 48 HD1 TYR 48 50.307 62.349 -45.366 389 HD2 TYR 48 HD2 TYR 48 51.120 61.253 -41.293 390 HE1 TYR 48 HE1 TYR 48 52.248 61.000 -46.116 391 HE2 TYR 48 HE2 TYR 48 53.061 59.905 -42.042 392 HH TYR 48 HH TYR 48 54.649 59.974 -44.131 393 H ILE 49 H ILE 49 46.957 62.202 -40.957 394 HA ILE 49 HA ILE 49 45.226 64.433 -41.870 395 HB ILE 49 HB ILE 49 43.463 63.039 -40.330 396 1HG1 ILE 49 1HG1 ILE 49 45.075 61.086 -40.359 397 2HG1 ILE 49 2HG1 ILE 49 43.468 60.720 -40.989 398 1HG2 ILE 49 1HG2 ILE 49 43.701 63.897 -42.989 399 2HG2 ILE 49 2HG2 ILE 49 43.175 62.215 -43.067 400 3HG2 ILE 49 3HG2 ILE 49 42.231 63.391 -42.156 401 1HD1 ILE 49 1HD1 ILE 49 44.897 61.691 -43.197 402 2HD1 ILE 49 2HD1 ILE 49 46.031 60.645 -42.350 403 3HD1 ILE 49 3HD1 ILE 49 44.473 60.009 -42.879 404 1HB PRO 50 1HB PRO 50 44.328 67.924 -37.713 405 2HB PRO 50 2HB PRO 50 45.760 68.065 -38.747 406 1HG PRO 50 2HG PRO 50 44.230 68.254 -40.468 407 2HG PRO 50 1HG PRO 50 42.935 67.507 -39.519 408 1HD PRO 50 1HD PRO 50 43.329 65.576 -40.698 409 2HD PRO 50 2HD PRO 50 44.814 66.246 -41.405 410 H SER 51 H SER 51 45.799 65.367 -35.814 411 HA SER 51 HA SER 51 43.108 64.221 -35.292 412 1HB SER 51 1HB SER 51 45.656 64.102 -33.652 413 2HB SER 51 2HB SER 51 44.152 63.272 -33.268 414 HG SER 51 HG SER 51 45.999 62.813 -35.328 415 H ASN 52 H ASN 52 45.116 66.955 -34.573 416 HA ASN 52 HA ASN 52 44.285 67.882 -32.105 417 1HB ASN 52 1HB ASN 52 44.210 70.213 -33.266 418 2HB ASN 52 2HB ASN 52 45.732 69.323 -33.288 419 2HD2 ASN 52 1HD2 ASN 52 43.980 71.186 -35.291 420 1HD2 ASN 52 2HD2 ASN 52 44.266 70.417 -36.777 421 H TYR 53 H TYR 53 42.406 67.632 -35.052 422 HA TYR 53 HA TYR 53 40.002 68.547 -33.520 423 1HB TYR 53 1HB TYR 53 40.596 68.718 -36.496 424 2HB TYR 53 2HB TYR 53 39.031 69.098 -35.775 425 HD1 TYR 53 HD1 TYR 53 39.309 70.684 -33.561 426 HD2 TYR 53 HD2 TYR 53 41.962 70.546 -36.936 427 HE1 TYR 53 HE1 TYR 53 40.108 72.970 -33.025 428 HE2 TYR 53 HE2 TYR 53 42.761 72.832 -36.401 429 HH TYR 53 HH TYR 53 41.844 74.451 -33.434 430 H VAL 54 H VAL 54 39.025 67.264 -36.429 431 HA VAL 54 HA VAL 54 37.709 65.256 -36.716 432 HB VAL 54 HB VAL 54 39.248 63.491 -37.267 433 1HG1 VAL 54 1HG1 VAL 54 39.431 65.941 -38.313 434 2HG1 VAL 54 2HG1 VAL 54 41.054 65.829 -37.631 435 3HG1 VAL 54 3HG1 VAL 54 40.507 64.635 -38.809 436 1HG2 VAL 54 1HG2 VAL 54 41.120 64.921 -35.369 437 2HG2 VAL 54 2HG2 VAL 54 40.465 63.297 -35.191 438 3HG2 VAL 54 3HG2 VAL 54 41.635 63.641 -36.461 439 H THR 55 H THR 55 38.636 62.700 -35.660 440 HA THR 55 HA THR 55 38.614 62.750 -32.810 441 HB THR 55 HB THR 55 36.319 63.606 -33.378 442 HG1 THR 55 HG1 THR 55 35.331 61.909 -31.939 443 1HG2 THR 55 1HG2 THR 55 36.300 61.539 -35.178 444 2HG2 THR 55 2HG2 THR 55 35.293 60.905 -33.877 445 3HG2 THR 55 3HG2 THR 55 34.878 62.434 -34.648 446 H GLU 56 H GLU 56 36.732 60.210 -33.023 447 HA GLU 56 HA GLU 56 37.410 57.935 -32.917 448 1HB GLU 56 1HB GLU 56 37.971 58.649 -35.798 449 2HB GLU 56 2HB GLU 56 37.729 57.020 -35.182 450 1HG GLU 56 1HG GLU 56 35.673 59.200 -34.804 451 2HG GLU 56 2HG GLU 56 35.681 58.155 -36.224 452 H ALA 57 H ALA 57 39.654 57.350 -35.202 453 HA ALA 57 HA ALA 57 41.790 56.946 -33.390 454 1HB ALA 57 1HB ALA 57 41.403 56.309 -35.992 455 2HB ALA 57 2HB ALA 57 42.519 57.660 -36.181 456 3HB ALA 57 3HB ALA 57 42.989 56.260 -35.222 457 H GLU 58 H GLU 58 43.749 58.223 -33.054 458 HA GLU 58 HA GLU 58 44.092 60.868 -34.145 459 1HB GLU 58 1HB GLU 58 43.626 62.057 -31.914 460 2HB GLU 58 2HB GLU 58 42.216 61.573 -32.858 461 1HG GLU 58 1HG GLU 58 41.554 60.041 -31.316 462 2HG GLU 58 2HG GLU 58 43.206 59.505 -31.002 No H/Q in entry = 462 Start of MODEL 5 1 H1 LEU 1 H1 LEU 1 41.688 48.656 -35.871 2 H2 LEU 1 H2 LEU 1 43.364 48.395 -35.967 3 H3 LEU 1 H3 LEU 1 42.494 47.858 -34.609 4 HA LEU 1 HA LEU 1 43.051 49.746 -33.614 5 1HB LEU 1 1HB LEU 1 44.561 49.910 -35.906 6 2HB LEU 1 2HB LEU 1 43.610 51.394 -35.994 7 HG LEU 1 HG LEU 1 44.279 51.867 -33.607 8 1HD1 LEU 1 1HD1 LEU 1 44.852 49.519 -33.028 9 2HD1 LEU 1 2HD1 LEU 1 46.229 49.602 -34.128 10 3HD1 LEU 1 3HD1 LEU 1 46.184 50.625 -32.692 11 1HD2 LEU 1 1HD2 LEU 1 46.195 51.724 -35.909 12 2HD2 LEU 1 2HD2 LEU 1 45.520 53.141 -35.104 13 3HD2 LEU 1 3HD2 LEU 1 46.807 52.216 -34.329 14 H LYS 2 H LYS 2 42.611 52.462 -34.647 15 HA LYS 2 HA LYS 2 39.625 52.372 -34.838 16 1HB LYS 2 2HB LYS 2 39.479 54.223 -33.430 17 2HB LYS 2 1HB LYS 2 41.113 54.769 -33.811 18 1HG LYS 2 1HG LYS 2 40.563 52.191 -32.326 19 2HG LYS 2 2HG LYS 2 42.096 53.053 -32.468 20 1HD LYS 2 1HD LYS 2 40.731 55.023 -31.350 21 2HD LYS 2 2HD LYS 2 39.706 53.704 -30.781 22 1HE LYS 2 1HE LYS 2 41.236 53.071 -29.251 23 2HE LYS 2 2HE LYS 2 42.524 53.065 -30.457 24 1HZ LYS 2 1HZ LYS 2 41.758 55.719 -29.889 25 2HZ LYS 2 2HZ LYS 2 42.108 54.916 -28.433 26 3HZ LYS 2 3HZ LYS 2 43.269 54.980 -29.673 27 H LYS 3 H LYS 3 38.866 54.678 -35.734 28 HA LYS 3 HA LYS 3 40.561 55.288 -38.124 29 1HB LYS 3 1HB LYS 3 37.679 54.618 -37.878 30 2HB LYS 3 2HB LYS 3 38.069 55.945 -38.973 31 1HG LYS 3 1HG LYS 3 39.568 54.555 -40.246 32 2HG LYS 3 2HG LYS 3 39.454 53.254 -39.060 33 1HD LYS 3 1HD LYS 3 37.712 52.415 -40.210 34 2HD LYS 3 2HD LYS 3 36.797 53.871 -39.815 35 1HE LYS 3 1HE LYS 3 37.403 54.942 -41.828 36 2HE LYS 3 2HE LYS 3 38.753 53.843 -42.109 37 1HZ LYS 3 1HZ LYS 3 36.140 52.602 -41.919 38 2HZ LYS 3 2HZ LYS 3 36.376 53.590 -43.277 39 3HZ LYS 3 3HZ LYS 3 37.422 52.282 -42.986 40 H VAL 4 H VAL 4 41.489 57.191 -37.262 41 HA VAL 4 HA VAL 4 40.208 59.157 -35.716 42 HB VAL 4 HB VAL 4 42.660 59.082 -36.341 43 1HG1 VAL 4 1HG1 VAL 4 42.064 58.834 -38.836 44 2HG1 VAL 4 2HG1 VAL 4 41.823 60.581 -38.816 45 3HG1 VAL 4 3HG1 VAL 4 43.404 59.905 -38.426 46 1HG2 VAL 4 1HG2 VAL 4 40.994 61.576 -36.530 47 2HG2 VAL 4 2HG2 VAL 4 42.038 61.040 -35.214 48 3HG2 VAL 4 3HG2 VAL 4 42.747 61.666 -36.703 49 H VAL 5 H VAL 5 38.302 60.157 -36.216 50 HA VAL 5 HA VAL 5 37.556 60.458 -39.047 51 HB VAL 5 HB VAL 5 35.859 59.622 -37.502 52 1HG1 VAL 5 1HG1 VAL 5 36.946 61.254 -35.679 53 2HG1 VAL 5 2HG1 VAL 5 35.634 62.299 -36.215 54 3HG1 VAL 5 3HG1 VAL 5 35.277 60.702 -35.556 55 1HG2 VAL 5 1HG2 VAL 5 35.257 61.044 -39.486 56 2HG2 VAL 5 2HG2 VAL 5 34.079 61.133 -38.176 57 3HG2 VAL 5 3HG2 VAL 5 35.234 62.445 -38.414 58 H ALA 6 H ALA 6 37.315 62.357 -40.119 59 HA ALA 6 HA ALA 6 38.874 64.594 -39.478 60 1HB ALA 6 3HB ALA 6 38.238 64.630 -41.695 61 2HB ALA 6 1HB ALA 6 36.606 64.061 -41.343 62 3HB ALA 6 2HB ALA 6 37.033 65.749 -41.057 63 H LEU 7 H LEU 7 37.514 66.918 -39.504 64 HA LEU 7 HA LEU 7 35.389 66.835 -37.456 65 1HB LEU 7 1HB LEU 7 38.025 67.185 -36.673 66 2HB LEU 7 2HB LEU 7 37.409 68.832 -36.775 67 HG LEU 7 HG LEU 7 37.070 67.778 -34.536 68 1HD1 LEU 7 1HD1 LEU 7 35.328 69.329 -36.041 69 2HD1 LEU 7 2HD1 LEU 7 34.293 68.042 -35.422 70 3HD1 LEU 7 3HD1 LEU 7 35.212 69.050 -34.303 71 1HD2 LEU 7 1HD2 LEU 7 36.567 65.491 -35.745 72 2HD2 LEU 7 2HD2 LEU 7 35.744 65.881 -34.235 73 3HD2 LEU 7 3HD2 LEU 7 34.912 66.099 -35.774 74 H TYR 8 H TYR 8 37.593 69.370 -38.749 75 HA TYR 8 HA TYR 8 35.130 70.762 -39.731 76 1HB TYR 8 2HB TYR 8 36.238 72.893 -39.199 77 2HB TYR 8 1HB TYR 8 37.644 72.016 -38.596 78 HD1 TYR 8 HD1 TYR 8 33.909 71.872 -38.181 79 HD2 TYR 8 HD2 TYR 8 37.762 71.788 -36.284 80 HE1 TYR 8 HE1 TYR 8 32.813 71.654 -35.967 81 HE2 TYR 8 HE2 TYR 8 36.665 71.570 -34.070 82 HH TYR 8 HH TYR 8 33.540 72.269 -33.490 83 H ASP 9 H ASP 9 36.874 68.986 -41.318 84 HA ASP 9 HA ASP 9 37.787 69.012 -43.485 85 1HB ASP 9 1HB ASP 9 36.017 71.223 -43.343 86 2HB ASP 9 2HB ASP 9 37.480 71.797 -44.144 87 H TYR 10 H TYR 10 39.835 69.410 -44.366 88 HA TYR 10 HA TYR 10 41.452 71.673 -43.470 89 1HB TYR 10 1HB TYR 10 41.553 69.846 -41.628 90 2HB TYR 10 2HB TYR 10 42.518 68.935 -42.789 91 HD1 TYR 10 HD1 TYR 10 42.292 72.495 -41.605 92 HD2 TYR 10 HD2 TYR 10 44.814 69.150 -42.552 93 HE1 TYR 10 HE1 TYR 10 44.291 73.833 -41.001 94 HE2 TYR 10 HE2 TYR 10 46.815 70.488 -41.948 95 HH TYR 10 HH TYR 10 46.946 73.631 -41.798 96 H MET 11 H MET 11 42.194 72.212 -45.489 97 HA MET 11 HA MET 11 42.764 70.170 -47.484 98 1HB MET 11 1HB MET 11 43.622 72.227 -48.779 99 2HB MET 11 2HB MET 11 41.905 72.189 -48.379 100 1HG MET 11 1HG MET 11 42.079 73.901 -46.873 101 2HG MET 11 2HG MET 11 43.683 73.399 -46.335 102 1HE MET 11 1HE MET 11 45.316 75.048 -46.422 103 2HE MET 11 2HE MET 11 45.908 73.878 -47.599 104 3HE MET 11 3HE MET 11 46.042 75.603 -47.937 105 1HB PRO 12 1HB PRO 12 47.996 69.313 -49.247 106 2HB PRO 12 2HB PRO 12 47.087 68.096 -48.336 107 1HG PRO 12 2HG PRO 12 45.590 68.219 -50.094 108 2HG PRO 12 1HG PRO 12 46.176 69.813 -50.599 109 1HD PRO 12 1HD PRO 12 44.320 70.690 -49.567 110 2HD PRO 12 2HD PRO 12 43.948 69.139 -48.782 111 H MET 13 H MET 13 48.339 71.418 -46.098 112 HA MET 13 HA MET 13 48.658 73.678 -48.023 113 1HB MET 13 1HB MET 13 47.832 73.990 -45.573 114 2HB MET 13 2HB MET 13 49.524 73.744 -45.138 115 1HG MET 13 1HG MET 13 50.166 75.577 -46.688 116 2HG MET 13 2HG MET 13 48.460 75.850 -47.043 117 1HE MET 13 1HE MET 13 46.825 76.972 -45.686 118 2HE MET 13 2HE MET 13 47.369 78.282 -44.629 119 3HE MET 13 3HE MET 13 47.986 78.160 -46.274 120 H ASN 14 H ASN 14 50.490 71.408 -45.990 121 HA ASN 14 HA ASN 14 52.767 71.618 -47.814 122 1HB ASN 14 1HB ASN 14 52.859 73.562 -46.041 123 2HB ASN 14 2HB ASN 14 53.392 72.279 -44.954 124 2HD2 ASN 14 1HD2 ASN 14 55.597 73.122 -44.853 125 1HD2 ASN 14 2HD2 ASN 14 56.648 73.005 -46.179 126 H ALA 15 H ALA 15 51.466 70.411 -44.743 127 HA ALA 15 HA ALA 15 53.384 68.263 -44.485 128 1HB ALA 15 3HB ALA 15 52.366 68.615 -42.453 129 2HB ALA 15 2HB ALA 15 51.303 67.344 -43.056 130 3HB ALA 15 1HB ALA 15 50.816 69.033 -43.184 131 H ASN 16 H ASN 16 50.981 68.760 -46.746 132 HA ASN 16 HA ASN 16 50.073 67.331 -48.374 133 1HB ASN 16 1HB ASN 16 52.459 66.030 -47.464 134 2HB ASN 16 2HB ASN 16 51.205 64.807 -47.671 135 2HD2 ASN 16 1HD2 ASN 16 50.395 64.419 -49.828 136 1HD2 ASN 16 2HD2 ASN 16 51.121 65.101 -51.202 137 H ASP 17 H ASP 17 48.839 67.710 -45.758 138 HA ASP 17 HA ASP 17 47.842 65.169 -44.813 139 1HB ASP 17 1HB ASP 17 46.731 67.970 -44.443 140 2HB ASP 17 2HB ASP 17 46.231 66.549 -43.526 141 H LEU 18 H LEU 18 45.486 64.476 -45.024 142 HA LEU 18 HA LEU 18 44.668 64.836 -47.816 143 1HB LEU 18 2HB LEU 18 42.947 63.186 -47.270 144 2HB LEU 18 1HB LEU 18 43.337 63.330 -45.551 145 HG LEU 18 HG LEU 18 45.776 62.839 -46.397 146 1HD1 LEU 18 1HD1 LEU 18 43.563 61.174 -45.531 147 2HD1 LEU 18 2HD1 LEU 18 44.708 60.265 -46.517 148 3HD1 LEU 18 3HD1 LEU 18 45.264 61.104 -45.072 149 1HD2 LEU 18 1HD2 LEU 18 44.090 62.358 -48.740 150 2HD2 LEU 18 2HD2 LEU 18 45.844 62.511 -48.634 151 3HD2 LEU 18 3HD2 LEU 18 45.074 60.956 -48.317 152 H GLN 19 H GLN 19 42.904 65.952 -48.549 153 HA GLN 19 HA GLN 19 41.981 68.208 -47.055 154 1HB GLN 19 1HB GLN 19 41.871 68.221 -49.483 155 2HB GLN 19 2HB GLN 19 40.794 66.823 -49.480 156 1HG GLN 19 1HG GLN 19 39.170 68.226 -48.112 157 2HG GLN 19 2HG GLN 19 40.197 69.613 -48.474 158 2HE2 GLN 19 1HE2 GLN 19 40.886 68.555 -51.201 159 1HE2 GLN 19 2HE2 GLN 19 39.498 68.803 -52.147 160 H LEU 20 H LEU 20 41.051 67.672 -45.075 161 HA LEU 20 HA LEU 20 39.368 65.451 -44.616 162 1HB LEU 20 1HB LEU 20 39.366 68.103 -43.173 163 2HB LEU 20 2HB LEU 20 38.628 66.619 -42.585 164 HG LEU 20 HG LEU 20 41.493 67.381 -42.733 165 1HD1 LEU 20 1HD1 LEU 20 39.566 66.524 -40.829 166 2HD1 LEU 20 2HD1 LEU 20 40.826 65.292 -40.895 167 3HD1 LEU 20 3HD1 LEU 20 41.249 66.967 -40.542 168 1HD2 LEU 20 1HD2 LEU 20 41.345 65.466 -44.342 169 2HD2 LEU 20 2HD2 LEU 20 42.251 65.056 -42.888 170 3HD2 LEU 20 3HD2 LEU 20 40.589 64.503 -43.075 171 H ARG 21 H ARG 21 37.023 65.476 -44.189 172 HA ARG 21 HA ARG 21 35.534 67.592 -45.647 173 1HB ARG 21 1HB ARG 21 35.443 64.623 -46.186 174 2HB ARG 21 2HB ARG 21 34.072 65.664 -46.575 175 1HG ARG 21 1HG ARG 21 35.855 67.147 -47.776 176 2HG ARG 21 2HG ARG 21 36.849 65.691 -47.733 177 1HD ARG 21 1HD ARG 21 35.772 65.036 -49.605 178 2HD ARG 21 2HD ARG 21 34.351 64.785 -48.591 179 HE ARG 21 HE ARG 21 33.622 67.074 -49.206 180 1HH1 ARG 21 1HH1 ARG 21 35.186 68.873 -50.258 181 2HH1 ARG 21 2HH1 ARG 21 35.487 68.506 -51.923 182 1HH2 ARG 21 1HH2 ARG 21 34.464 65.203 -51.655 183 2HH2 ARG 21 2HH2 ARG 21 35.079 66.428 -52.715 184 H LYS 22 H LYS 22 35.989 66.808 -42.851 185 HA LYS 22 HA LYS 22 34.792 66.230 -40.889 186 1HB LYS 22 2HB LYS 22 33.147 67.879 -40.446 187 2HB LYS 22 1HB LYS 22 32.689 67.996 -42.146 188 1HG LYS 22 1HG LYS 22 35.119 69.086 -40.759 189 2HG LYS 22 2HG LYS 22 35.179 68.741 -42.486 190 1HD LYS 22 1HD LYS 22 34.519 71.084 -42.075 191 2HD LYS 22 2HD LYS 22 33.214 70.184 -42.849 192 1HE LYS 22 1HE LYS 22 32.836 69.789 -40.093 193 2HE LYS 22 2HE LYS 22 33.241 71.498 -40.262 194 1HZ LYS 22 1HZ LYS 22 31.556 71.197 -42.288 195 2HZ LYS 22 2HZ LYS 22 30.924 70.034 -41.226 196 3HZ LYS 22 3HZ LYS 22 31.060 71.653 -40.728 197 H GLY 23 H GLY 23 34.158 64.047 -41.021 198 1HA GLY 23 1HA GLY 23 31.717 63.083 -40.731 199 2HA GLY 23 2HA GLY 23 31.607 63.466 -42.451 200 H ASP 24 H ASP 24 33.509 62.547 -43.784 201 HA ASP 24 HA ASP 24 33.554 59.710 -43.518 202 1HB ASP 24 1HB ASP 24 35.317 61.662 -45.009 203 2HB ASP 24 2HB ASP 24 35.621 59.926 -45.054 204 H GLU 25 H GLU 25 34.973 58.373 -42.374 205 HA GLU 25 HA GLU 25 36.680 59.757 -40.408 206 1HB GLU 25 2HB GLU 25 36.956 57.518 -39.407 207 2HB GLU 25 1HB GLU 25 36.108 56.796 -40.776 208 1HG GLU 25 2HG GLU 25 34.528 58.954 -39.716 209 2HG GLU 25 1HG GLU 25 34.978 57.871 -38.399 210 H TYR 26 H TYR 26 38.862 58.534 -39.980 211 HA TYR 26 HA TYR 26 40.170 57.991 -42.605 212 1HB TYR 26 1HB TYR 26 41.270 59.705 -40.361 213 2HB TYR 26 2HB TYR 26 42.089 59.346 -41.878 214 HD1 TYR 26 HD1 TYR 26 38.750 60.638 -40.677 215 HD2 TYR 26 HD2 TYR 26 41.907 60.907 -43.580 216 HE1 TYR 26 HE1 TYR 26 37.577 62.513 -41.808 217 HE2 TYR 26 HE2 TYR 26 40.723 62.776 -44.694 218 HH TYR 26 HH TYR 26 37.510 63.497 -44.125 219 H PHE 27 H PHE 27 41.065 56.009 -42.531 220 HA PHE 27 HA PHE 27 41.565 54.681 -39.957 221 1HB PHE 27 1HB PHE 27 40.565 53.458 -41.911 222 2HB PHE 27 2HB PHE 27 42.091 53.668 -42.770 223 HD1 PHE 27 HD1 PHE 27 41.518 52.973 -39.146 224 HD2 PHE 27 HD2 PHE 27 42.991 51.485 -42.898 225 HE1 PHE 27 HE1 PHE 27 42.443 50.981 -37.993 226 HE2 PHE 27 HE2 PHE 27 43.916 49.494 -41.744 227 HZ PHE 27 HZ PHE 27 43.643 49.242 -39.293 228 H ILE 28 H ILE 28 43.537 54.536 -39.021 229 HA ILE 28 HA ILE 28 45.739 55.993 -40.241 230 HB ILE 28 HB ILE 28 45.858 54.341 -37.730 231 1HG1 ILE 28 2HG1 ILE 28 45.345 56.751 -36.748 232 2HG1 ILE 28 1HG1 ILE 28 44.025 55.680 -37.208 233 1HG2 ILE 28 1HG2 ILE 28 47.373 56.667 -38.913 234 2HG2 ILE 28 2HG2 ILE 28 47.452 56.296 -37.190 235 3HG2 ILE 28 3HG2 ILE 28 47.999 55.109 -38.375 236 1HD1 ILE 28 1HD1 ILE 28 45.173 57.577 -39.245 237 2HD1 ILE 28 2HD1 ILE 28 43.554 56.883 -39.163 238 3HD1 ILE 28 3HD1 ILE 28 44.019 58.173 -38.054 239 H LEU 29 H LEU 29 46.502 54.940 -41.977 240 HA LEU 29 HA LEU 29 46.998 52.141 -42.188 241 1HB LEU 29 1HB LEU 29 47.996 54.616 -43.595 242 2HB LEU 29 2HB LEU 29 48.597 53.015 -44.030 243 HG LEU 29 HG LEU 29 46.369 52.260 -44.565 244 1HD1 LEU 29 1HD1 LEU 29 45.489 54.968 -43.540 245 2HD1 LEU 29 2HD1 LEU 29 44.437 53.831 -44.378 246 3HD1 LEU 29 3HD1 LEU 29 45.126 53.404 -42.813 247 1HD2 LEU 29 1HD2 LEU 29 47.758 53.976 -46.064 248 2HD2 LEU 29 2HD2 LEU 29 46.156 53.423 -46.554 249 3HD2 LEU 29 3HD2 LEU 29 46.347 54.992 -45.770 250 H GLU 30 H GLU 30 48.533 54.615 -40.415 251 HA GLU 30 HA GLU 30 50.799 52.773 -39.826 252 1HB GLU 30 1HB GLU 30 51.002 55.263 -41.306 253 2HB GLU 30 2HB GLU 30 51.963 55.320 -39.829 254 1HG GLU 30 2HG GLU 30 52.361 52.747 -40.942 255 2HG GLU 30 1HG GLU 30 53.529 54.065 -40.843 256 H GLU 31 H GLU 31 50.110 56.176 -38.996 257 HA GLU 31 HA GLU 31 49.420 57.083 -36.910 258 1HB GLU 31 1HB GLU 31 48.443 54.630 -36.581 259 2HB GLU 31 2HB GLU 31 49.825 54.476 -35.495 260 1HG GLU 31 1HG GLU 31 49.056 56.683 -34.445 261 2HG GLU 31 2HG GLU 31 47.552 56.461 -35.340 262 H SER 32 H SER 32 50.624 57.787 -35.016 263 HA SER 32 HA SER 32 53.176 56.641 -34.315 264 1HB SER 32 1HB SER 32 54.685 57.987 -35.441 265 2HB SER 32 2HB SER 32 53.414 57.894 -36.659 266 HG SER 32 HG SER 32 52.563 59.847 -35.654 267 H ASN 33 H ASN 33 54.452 58.991 -33.399 268 HA ASN 33 HA ASN 33 52.787 59.591 -31.079 269 1HB ASN 33 1HB ASN 33 55.482 60.682 -31.949 270 2HB ASN 33 2HB ASN 33 54.722 61.002 -30.388 271 2HD2 ASN 33 1HD2 ASN 33 57.268 59.540 -30.831 272 1HD2 ASN 33 2HD2 ASN 33 57.033 57.980 -30.207 273 H LEU 34 H LEU 34 54.219 61.586 -33.685 274 HA LEU 34 HA LEU 34 53.213 64.083 -33.120 275 1HB LEU 34 1HB LEU 34 53.342 62.631 -35.771 276 2HB LEU 34 2HB LEU 34 52.899 64.331 -35.653 277 HG LEU 34 HG LEU 34 55.382 63.396 -34.264 278 1HD1 LEU 34 1HD1 LEU 34 54.986 62.863 -36.970 279 2HD1 LEU 34 2HD1 LEU 34 55.868 64.391 -36.967 280 3HD1 LEU 34 3HD1 LEU 34 56.546 62.979 -36.156 281 1HD2 LEU 34 1HD2 LEU 34 54.072 65.856 -34.792 282 2HD2 LEU 34 2HD2 LEU 34 55.635 65.620 -34.011 283 3HD2 LEU 34 3HD2 LEU 34 55.548 65.857 -35.756 284 1HB PRO 35 1HB PRO 35 48.227 66.353 -34.299 285 2HB PRO 35 2HB PRO 35 48.790 66.123 -32.635 286 1HG PRO 35 2HG PRO 35 50.528 67.508 -33.277 287 2HG PRO 35 1HG PRO 35 50.288 67.164 -34.998 288 1HD PRO 35 1HD PRO 35 52.096 65.754 -34.826 289 2HD PRO 35 2HD PRO 35 52.062 65.814 -33.051 290 H TRP 36 H TRP 36 50.334 65.036 -36.237 291 HA TRP 36 HA TRP 36 48.031 64.108 -37.833 292 1HB TRP 36 2HB TRP 36 48.891 65.382 -39.515 293 2HB TRP 36 1HB TRP 36 50.515 64.740 -39.285 294 HD1 TRP 36 HD1 TRP 36 48.128 67.348 -37.744 295 HE1 TRP 36 HE1 TRP 36 49.555 69.204 -36.661 296 HE3 TRP 36 HE3 TRP 36 52.794 65.392 -38.438 297 HZ2 TRP 36 HZ2 TRP 36 52.311 69.780 -36.157 298 HZ3 TRP 36 HZ3 TRP 36 54.800 66.614 -37.647 299 HH2 TRP 36 HH2 TRP 36 54.565 68.804 -36.509 300 H TRP 37 H TRP 37 48.042 62.172 -39.036 301 HA TRP 37 HA TRP 37 50.529 60.528 -38.761 302 1HB TRP 37 1HB TRP 37 47.650 59.724 -38.305 303 2HB TRP 37 2HB TRP 37 48.923 58.538 -38.592 304 HD1 TRP 37 HD1 TRP 37 51.131 60.430 -36.997 305 HE1 TRP 37 HE1 TRP 37 51.122 60.302 -34.424 306 HE3 TRP 37 HE3 TRP 37 46.451 58.532 -36.223 307 HZ2 TRP 37 HZ2 TRP 37 49.367 59.500 -32.315 308 HZ3 TRP 37 HZ3 TRP 37 45.641 58.094 -33.922 309 HH2 TRP 37 HH2 TRP 37 47.089 58.574 -31.970 310 H ARG 38 H ARG 38 49.577 58.328 -40.267 311 HA ARG 38 HA ARG 38 49.202 59.593 -42.949 312 1HB ARG 38 1HB ARG 38 50.896 57.263 -42.047 313 2HB ARG 38 2HB ARG 38 50.360 57.389 -43.722 314 1HG ARG 38 1HG ARG 38 51.377 59.629 -43.886 315 2HG ARG 38 2HG ARG 38 51.917 59.507 -42.212 316 1HD ARG 38 1HD ARG 38 52.668 57.408 -44.241 317 2HD ARG 38 2HD ARG 38 53.613 58.888 -44.071 318 HE ARG 38 HE ARG 38 53.318 57.827 -41.476 319 1HH1 ARG 38 1HH1 ARG 38 55.231 57.694 -44.270 320 2HH1 ARG 38 2HH1 ARG 38 56.236 56.398 -43.715 321 1HH2 ARG 38 1HH2 ARG 38 54.364 55.821 -40.851 322 2HH2 ARG 38 2HH2 ARG 38 55.746 55.336 -41.776 323 H ALA 39 H ALA 39 46.911 59.373 -42.673 324 HA ALA 39 HA ALA 39 45.959 56.541 -42.705 325 1HB ALA 39 3HB ALA 39 44.634 57.193 -40.993 326 2HB ALA 39 1HB ALA 39 45.203 58.850 -41.145 327 3HB ALA 39 2HB ALA 39 43.824 58.301 -42.095 328 H ARG 40 H ARG 40 43.960 56.200 -43.981 329 HA ARG 40 HA ARG 40 43.892 57.978 -46.382 330 1HB ARG 40 1HB ARG 40 44.546 55.683 -46.925 331 2HB ARG 40 2HB ARG 40 43.135 55.054 -46.073 332 1HG ARG 40 1HG ARG 40 41.699 56.407 -47.666 333 2HG ARG 40 2HG ARG 40 43.163 56.727 -48.595 334 1HD ARG 40 2HD ARG 40 43.493 54.170 -48.613 335 2HD ARG 40 1HD ARG 40 42.213 54.822 -49.637 336 HE ARG 40 HE ARG 40 40.962 54.256 -47.210 337 1HH1 ARG 40 1HH1 ARG 40 43.202 52.092 -47.386 338 2HH1 ARG 40 2HH1 ARG 40 42.290 50.776 -48.049 339 1HH2 ARG 40 1HH2 ARG 40 39.610 52.760 -48.999 340 2HH2 ARG 40 2HH2 ARG 40 40.258 51.153 -48.961 341 H ASP 41 H ASP 41 42.207 59.378 -46.113 342 HA ASP 41 HA ASP 41 40.040 59.161 -44.386 343 1HB ASP 41 2HB ASP 41 40.654 61.160 -45.796 344 2HB ASP 41 1HB ASP 41 38.928 60.832 -45.700 345 H LYS 42 H LYS 42 37.649 59.071 -45.311 346 HA LYS 42 HA LYS 42 37.237 56.313 -46.136 347 1HB LYS 42 1HB LYS 42 35.717 57.739 -44.618 348 2HB LYS 42 2HB LYS 42 35.120 58.468 -46.110 349 1HG LYS 42 2HG LYS 42 35.124 55.687 -46.571 350 2HG LYS 42 1HG LYS 42 33.717 56.724 -46.332 351 1HD LYS 42 1HD LYS 42 35.289 55.277 -44.179 352 2HD LYS 42 2HD LYS 42 33.984 56.420 -43.859 353 1HE LYS 42 1HE LYS 42 32.388 54.901 -44.371 354 2HE LYS 42 2HE LYS 42 33.245 54.373 -45.820 355 1HZ LYS 42 1HZ LYS 42 34.150 53.613 -43.110 356 2HZ LYS 42 2HZ LYS 42 32.992 52.699 -43.954 357 3HZ LYS 42 3HZ LYS 42 34.553 52.899 -44.595 358 H ASN 43 H ASN 43 37.780 59.229 -47.804 359 HA ASN 43 HA ASN 43 36.246 58.535 -50.194 360 1HB ASN 43 1HB ASN 43 37.113 60.894 -49.292 361 2HB ASN 43 2HB ASN 43 38.508 60.485 -50.292 362 2HD2 ASN 43 1HD2 ASN 43 35.000 59.820 -50.805 363 1HD2 ASN 43 2HD2 ASN 43 34.924 60.600 -52.311 364 H GLY 44 H GLY 44 38.932 57.199 -48.856 365 1HA GLY 44 1HA GLY 44 40.408 55.608 -49.785 366 2HA GLY 44 2HA GLY 44 39.707 55.943 -51.369 367 H GLN 45 H GLN 45 41.141 58.332 -49.156 368 HA GLN 45 HA GLN 45 43.255 58.771 -51.221 369 1HB GLN 45 1HB GLN 45 41.363 60.573 -50.749 370 2HB GLN 45 2HB GLN 45 42.384 60.956 -49.363 371 1HG GLN 45 1HG GLN 45 44.037 61.836 -50.659 372 2HG GLN 45 2HG GLN 45 43.830 60.618 -51.919 373 2HE2 GLN 45 1HE2 GLN 45 41.258 60.929 -52.791 374 1HE2 GLN 45 2HE2 GLN 45 40.981 62.510 -53.344 375 H GLU 46 H GLU 46 45.081 57.887 -50.334 376 HA GLU 46 HA GLU 46 45.472 57.861 -47.436 377 1HB GLU 46 2HB GLU 46 47.367 56.539 -47.850 378 2HB GLU 46 1HB GLU 46 47.624 57.244 -49.447 379 1HG GLU 46 1HG GLU 46 45.230 55.531 -48.716 380 2HG GLU 46 2HG GLU 46 45.675 56.099 -50.327 381 H GLY 47 H GLY 47 46.386 59.484 -46.323 382 1HA GLY 47 1HA GLY 47 48.555 61.069 -47.412 383 2HA GLY 47 2HA GLY 47 47.058 61.979 -47.305 384 H TYR 48 H TYR 48 48.096 63.341 -45.678 385 HA TYR 48 HA TYR 48 48.524 61.971 -43.072 386 1HB TYR 48 1HB TYR 48 49.511 64.564 -44.231 387 2HB TYR 48 2HB TYR 48 49.467 64.340 -42.483 388 HD1 TYR 48 HD1 TYR 48 50.496 62.421 -45.545 389 HD2 TYR 48 HD2 TYR 48 51.375 63.480 -41.477 390 HE1 TYR 48 HE1 TYR 48 52.597 61.110 -45.658 391 HE2 TYR 48 HE2 TYR 48 53.478 62.169 -41.590 392 HH TYR 48 HH TYR 48 55.076 61.444 -43.709 393 H ILE 49 H ILE 49 47.192 62.476 -41.321 394 HA ILE 49 HA ILE 49 45.204 64.630 -41.817 395 HB ILE 49 HB ILE 49 43.824 62.892 -40.230 396 1HG1 ILE 49 1HG1 ILE 49 45.647 61.186 -40.613 397 2HG1 ILE 49 2HG1 ILE 49 44.040 60.661 -41.117 398 1HG2 ILE 49 1HG2 ILE 49 43.745 63.837 -42.946 399 2HG2 ILE 49 2HG2 ILE 49 43.137 62.185 -42.845 400 3HG2 ILE 49 3HG2 ILE 49 42.408 63.453 -41.861 401 1HD1 ILE 49 1HD1 ILE 49 44.983 61.931 -43.382 402 2HD1 ILE 49 2HD1 ILE 49 46.436 61.169 -42.740 403 3HD1 ILE 49 3HD1 ILE 49 45.016 60.190 -43.110 404 1HB PRO 50 1HB PRO 50 45.124 68.074 -37.576 405 2HB PRO 50 2HB PRO 50 46.559 68.056 -38.615 406 1HG PRO 50 2HG PRO 50 45.066 68.536 -40.313 407 2HG PRO 50 1HG PRO 50 43.680 67.933 -39.388 408 1HD PRO 50 1HD PRO 50 43.804 66.026 -40.662 409 2HD PRO 50 2HD PRO 50 45.375 66.508 -41.337 410 H SER 51 H SER 51 46.185 65.403 -35.756 411 HA SER 51 HA SER 51 43.624 64.125 -35.258 412 1HB SER 51 1HB SER 51 46.119 64.646 -33.725 413 2HB SER 51 2HB SER 51 44.649 64.348 -32.804 414 HG SER 51 HG SER 51 45.451 62.698 -34.958 415 H ASN 52 H ASN 52 45.058 67.278 -34.580 416 HA ASN 52 HA ASN 52 43.088 68.126 -32.660 417 1HB ASN 52 1HB ASN 52 43.962 70.398 -33.105 418 2HB ASN 52 2HB ASN 52 45.268 69.237 -32.860 419 2HD2 ASN 52 1HD2 ASN 52 46.880 70.133 -34.226 420 1HD2 ASN 52 2HD2 ASN 52 46.671 70.367 -35.895 421 H TYR 53 H TYR 53 42.957 67.786 -36.083 422 HA TYR 53 HA TYR 53 40.505 69.515 -36.144 423 1HB TYR 53 1HB TYR 53 42.681 69.021 -38.116 424 2HB TYR 53 2HB TYR 53 41.047 69.174 -38.763 425 HD1 TYR 53 HD1 TYR 53 42.398 70.824 -35.715 426 HD2 TYR 53 HD2 TYR 53 41.149 71.323 -39.793 427 HE1 TYR 53 HE1 TYR 53 42.518 73.284 -35.448 428 HE2 TYR 53 HE2 TYR 53 41.269 73.785 -39.528 429 HH TYR 53 HH TYR 53 42.855 75.288 -37.030 430 H VAL 54 H VAL 54 40.925 66.646 -35.375 431 HA VAL 54 HA VAL 54 38.648 65.479 -36.864 432 HB VAL 54 HB VAL 54 39.892 63.537 -37.604 433 1HG1 VAL 54 1HG1 VAL 54 40.085 65.744 -38.903 434 2HG1 VAL 54 2HG1 VAL 54 41.705 65.855 -38.228 435 3HG1 VAL 54 3HG1 VAL 54 41.272 64.496 -39.264 436 1HG2 VAL 54 1HG2 VAL 54 42.139 64.798 -36.039 437 2HG2 VAL 54 2HG2 VAL 54 41.353 63.258 -35.712 438 3HG2 VAL 54 3HG2 VAL 54 42.370 63.441 -37.143 439 H THR 55 H THR 55 39.346 62.823 -35.826 440 HA THR 55 HA THR 55 39.946 63.038 -33.050 441 HB THR 55 HB THR 55 37.826 64.262 -33.076 442 HG1 THR 55 HG1 THR 55 37.213 63.350 -31.225 443 1HG2 THR 55 1HG2 THR 55 36.647 61.609 -33.909 444 2HG2 THR 55 2HG2 THR 55 35.717 63.011 -33.391 445 3HG2 THR 55 3HG2 THR 55 36.679 63.086 -34.867 446 H GLU 56 H GLU 56 37.671 60.864 -32.613 447 HA GLU 56 HA GLU 56 37.931 58.543 -32.380 448 1HB GLU 56 1HB GLU 56 38.531 58.703 -35.327 449 2HB GLU 56 2HB GLU 56 37.921 57.312 -34.451 450 1HG GLU 56 1HG GLU 56 36.351 59.821 -34.206 451 2HG GLU 56 2HG GLU 56 36.294 58.999 -35.765 452 H ALA 57 H ALA 57 40.060 57.627 -34.771 453 HA ALA 57 HA ALA 57 42.142 57.053 -32.877 454 1HB ALA 57 1HB ALA 57 41.470 56.255 -35.478 455 2HB ALA 57 2HB ALA 57 43.042 57.040 -35.635 456 3HB ALA 57 3HB ALA 57 42.840 55.685 -34.524 457 H GLU 58 H GLU 58 41.833 59.770 -32.561 458 HA GLU 58 HA GLU 58 43.874 61.141 -34.217 459 1HB GLU 58 2HB GLU 58 41.671 62.229 -33.566 460 2HB GLU 58 1HB GLU 58 43.111 63.167 -33.169 461 1HG GLU 58 2HG GLU 58 42.529 61.382 -30.993 462 2HG GLU 58 1HG GLU 58 41.066 62.278 -31.403 No H/Q in entry = 462 Start of MODEL 6 1 H1 LEU 1 H1 LEU 1 41.343 50.758 -34.316 2 H2 LEU 1 H2 LEU 1 41.198 51.214 -32.685 3 H3 LEU 1 H3 LEU 1 40.483 52.163 -33.896 4 HA LEU 1 HA LEU 1 42.426 53.305 -33.258 5 1HB LEU 1 2HB LEU 1 43.457 51.331 -32.123 6 2HB LEU 1 1HB LEU 1 44.599 52.201 -33.147 7 HG LEU 1 HG LEU 1 43.215 50.214 -34.712 8 1HD1 LEU 1 1HD1 LEU 1 45.532 51.373 -34.948 9 2HD1 LEU 1 2HD1 LEU 1 46.100 50.122 -33.843 10 3HD1 LEU 1 3HD1 LEU 1 45.402 49.673 -35.400 11 1HD2 LEU 1 1HD2 LEU 1 43.343 49.370 -32.111 12 2HD2 LEU 1 2HD2 LEU 1 43.386 48.288 -33.503 13 3HD2 LEU 1 3HD2 LEU 1 44.889 48.794 -32.733 14 H LYS 2 H LYS 2 40.941 52.549 -35.744 15 HA LYS 2 HA LYS 2 42.958 53.559 -37.641 16 1HB LYS 2 1HB LYS 2 42.112 51.708 -39.290 17 2HB LYS 2 2HB LYS 2 43.362 51.301 -38.114 18 1HG LYS 2 1HG LYS 2 41.717 50.328 -36.618 19 2HG LYS 2 2HG LYS 2 40.398 50.862 -37.660 20 1HD LYS 2 1HD LYS 2 42.290 49.369 -39.229 21 2HD LYS 2 2HD LYS 2 41.839 48.422 -37.811 22 1HE LYS 2 1HE LYS 2 39.475 48.683 -38.330 23 2HE LYS 2 2HE LYS 2 39.858 49.755 -39.678 24 1HZ LYS 2 1HZ LYS 2 41.193 47.851 -40.593 25 2HZ LYS 2 2HZ LYS 2 40.452 46.866 -39.424 26 3HZ LYS 2 3HZ LYS 2 39.507 47.639 -40.602 27 H LYS 3 H LYS 3 40.770 54.936 -36.652 28 HA LYS 3 HA LYS 3 39.258 55.389 -39.122 29 1HB LYS 3 2HB LYS 3 38.057 53.544 -37.777 30 2HB LYS 3 1HB LYS 3 37.089 54.928 -38.280 31 1HG LYS 3 1HG LYS 3 38.475 55.048 -35.627 32 2HG LYS 3 2HG LYS 3 36.951 55.783 -36.127 33 1HD LYS 3 2HD LYS 3 36.458 53.067 -36.395 34 2HD LYS 3 1HD LYS 3 35.942 54.075 -35.043 35 1HE LYS 3 1HE LYS 3 38.660 53.436 -34.571 36 2HE LYS 3 2HE LYS 3 37.254 52.841 -33.689 37 1HZ LYS 3 1HZ LYS 3 37.292 51.402 -36.019 38 2HZ LYS 3 2HZ LYS 3 38.924 51.480 -35.551 39 3HZ LYS 3 3HZ LYS 3 37.766 50.850 -34.485 40 H VAL 4 H VAL 4 41.097 57.005 -37.680 41 HA VAL 4 HA VAL 4 40.070 58.829 -35.817 42 HB VAL 4 HB VAL 4 42.415 58.780 -36.765 43 1HG1 VAL 4 1HG1 VAL 4 41.653 58.714 -39.150 44 2HG1 VAL 4 2HG1 VAL 4 41.165 60.402 -38.996 45 3HG1 VAL 4 3HG1 VAL 4 42.864 59.954 -38.831 46 1HG2 VAL 4 1HG2 VAL 4 40.844 61.347 -36.572 47 2HG2 VAL 4 2HG2 VAL 4 41.931 60.635 -35.379 48 3HG2 VAL 4 3HG2 VAL 4 42.585 61.351 -36.850 49 H VAL 5 H VAL 5 38.273 60.150 -35.925 50 HA VAL 5 HA VAL 5 36.981 60.474 -38.532 51 HB VAL 5 HB VAL 5 36.118 60.247 -35.840 52 1HG1 VAL 5 1HG1 VAL 5 36.070 62.773 -35.906 53 2HG1 VAL 5 2HG1 VAL 5 34.943 62.660 -37.253 54 3HG1 VAL 5 3HG1 VAL 5 34.490 62.036 -35.667 55 1HG2 VAL 5 1HG2 VAL 5 35.185 59.988 -38.586 56 2HG2 VAL 5 2HG2 VAL 5 34.814 59.002 -37.173 57 3HG2 VAL 5 3HG2 VAL 5 33.906 60.483 -37.478 58 H ALA 6 H ALA 6 37.115 62.235 -39.766 59 HA ALA 6 HA ALA 6 38.723 64.468 -39.281 60 1HB ALA 6 1HB ALA 6 37.051 63.651 -41.324 61 2HB ALA 6 3HB ALA 6 37.956 65.165 -41.299 62 3HB ALA 6 2HB ALA 6 36.277 65.131 -40.760 63 H LEU 7 H LEU 7 37.617 66.809 -39.284 64 HA LEU 7 HA LEU 7 35.362 67.034 -37.428 65 1HB LEU 7 1HB LEU 7 37.853 66.809 -36.311 66 2HB LEU 7 2HB LEU 7 37.720 68.552 -36.508 67 HG LEU 7 HG LEU 7 36.869 67.658 -34.319 68 1HD1 LEU 7 1HD1 LEU 7 35.582 69.485 -36.186 69 2HD1 LEU 7 2HD1 LEU 7 34.435 68.820 -35.022 70 3HD1 LEU 7 3HD1 LEU 7 35.869 69.677 -34.456 71 1HD2 LEU 7 1HD2 LEU 7 35.750 65.668 -35.667 72 2HD2 LEU 7 2HD2 LEU 7 35.010 66.279 -34.187 73 3HD2 LEU 7 3HD2 LEU 7 34.394 66.793 -35.758 74 H TYR 8 H TYR 8 38.115 68.848 -38.807 75 HA TYR 8 HA TYR 8 36.149 70.947 -39.626 76 1HB TYR 8 2HB TYR 8 37.898 72.602 -39.335 77 2HB TYR 8 1HB TYR 8 39.090 71.344 -39.002 78 HD1 TYR 8 HD1 TYR 8 35.609 72.133 -37.810 79 HD2 TYR 8 HD2 TYR 8 39.665 71.196 -36.747 80 HE1 TYR 8 HE1 TYR 8 34.997 72.200 -35.409 81 HE2 TYR 8 HE2 TYR 8 39.050 71.260 -34.347 82 HH TYR 8 HH TYR 8 36.589 72.692 -33.121 83 H ASP 9 H ASP 9 36.091 71.404 -41.784 84 HA ASP 9 HA ASP 9 37.194 69.747 -43.738 85 1HB ASP 9 1HB ASP 9 35.432 71.284 -44.322 86 2HB ASP 9 2HB ASP 9 36.437 72.674 -43.914 87 H TYR 10 H TYR 10 39.225 69.458 -44.497 88 HA TYR 10 HA TYR 10 41.178 71.698 -44.212 89 1HB TYR 10 1HB TYR 10 41.241 69.249 -42.796 90 2HB TYR 10 2HB TYR 10 42.486 69.130 -44.040 91 HD1 TYR 10 HD1 TYR 10 41.197 71.373 -41.343 92 HD2 TYR 10 HD2 TYR 10 44.539 70.265 -43.803 93 HE1 TYR 10 HE1 TYR 10 42.666 72.871 -40.021 94 HE2 TYR 10 HE2 TYR 10 46.009 71.764 -42.482 95 HH TYR 10 HH TYR 10 45.711 73.828 -41.043 96 H MET 11 H MET 11 43.246 70.979 -45.619 97 HA MET 11 HA MET 11 42.455 69.471 -48.011 98 1HB MET 11 2HB MET 11 42.548 71.214 -49.536 99 2HB MET 11 1HB MET 11 43.598 72.190 -48.509 100 1HG MET 11 1HG MET 11 40.624 71.715 -48.196 101 2HG MET 11 2HG MET 11 41.615 72.432 -46.927 102 1HE MET 11 1HE MET 11 39.175 73.041 -48.558 103 2HE MET 11 2HE MET 11 39.228 74.785 -48.313 104 3HE MET 11 3HE MET 11 39.301 74.116 -49.948 105 1HB PRO 12 1HB PRO 12 47.030 67.756 -50.609 106 2HB PRO 12 2HB PRO 12 46.213 66.755 -49.394 107 1HG PRO 12 2HG PRO 12 44.385 66.928 -50.797 108 2HG PRO 12 1HG PRO 12 45.025 68.369 -51.603 109 1HD PRO 12 1HD PRO 12 43.573 69.598 -50.316 110 2HD PRO 12 2HD PRO 12 43.185 68.189 -49.307 111 H MET 13 H MET 13 48.295 70.078 -47.876 112 HA MET 13 HA MET 13 49.324 71.360 -50.229 113 1HB MET 13 1HB MET 13 48.705 73.726 -49.515 114 2HB MET 13 2HB MET 13 47.381 72.767 -50.179 115 1HG MET 13 1HG MET 13 46.255 72.757 -48.213 116 2HG MET 13 2HG MET 13 47.718 72.435 -47.281 117 1HE MET 13 1HE MET 13 45.302 74.051 -46.539 118 2HE MET 13 2HE MET 13 46.585 74.263 -45.340 119 3HE MET 13 3HE MET 13 45.747 75.667 -45.997 120 H ASN 14 H ASN 14 50.311 69.915 -47.931 121 HA ASN 14 HA ASN 14 52.521 71.633 -47.217 122 1HB ASN 14 1HB ASN 14 50.182 71.690 -45.514 123 2HB ASN 14 2HB ASN 14 51.558 71.019 -44.637 124 2HD2 ASN 14 1HD2 ASN 14 51.157 73.277 -43.485 125 1HD2 ASN 14 2HD2 ASN 14 52.044 74.583 -44.108 126 H ALA 15 H ALA 15 50.981 69.206 -45.130 127 HA ALA 15 HA ALA 15 53.360 67.466 -45.601 128 1HB ALA 15 1HB ALA 15 51.538 67.928 -43.273 129 2HB ALA 15 3HB ALA 15 53.293 67.763 -43.304 130 3HB ALA 15 2HB ALA 15 52.270 66.334 -43.451 131 H ASN 16 H ASN 16 51.221 67.504 -47.511 132 HA ASN 16 HA ASN 16 49.933 65.958 -48.716 133 1HB ASN 16 1HB ASN 16 51.623 64.261 -46.948 134 2HB ASN 16 2HB ASN 16 50.205 63.492 -47.661 135 2HD2 ASN 16 1HD2 ASN 16 52.314 66.048 -49.059 136 1HD2 ASN 16 2HD2 ASN 16 52.774 65.137 -50.416 137 H ASP 17 H ASP 17 49.108 67.201 -45.989 138 HA ASP 17 HA ASP 17 47.401 65.600 -44.499 139 1HB ASP 17 1HB ASP 17 47.829 68.184 -44.396 140 2HB ASP 17 2HB ASP 17 46.435 68.283 -45.466 141 H LEU 18 H LEU 18 45.428 64.557 -44.867 142 HA LEU 18 HA LEU 18 44.495 64.447 -47.654 143 1HB LEU 18 1HB LEU 18 43.994 63.014 -45.115 144 2HB LEU 18 2HB LEU 18 42.583 63.169 -46.147 145 HG LEU 18 HG LEU 18 43.323 61.531 -47.503 146 1HD1 LEU 18 1HD1 LEU 18 45.818 63.194 -47.614 147 2HD1 LEU 18 2HD1 LEU 18 45.858 61.548 -48.238 148 3HD1 LEU 18 3HD1 LEU 18 44.733 62.721 -48.919 149 1HD2 LEU 18 1HD2 LEU 18 44.026 60.617 -45.329 150 2HD2 LEU 18 2HD2 LEU 18 45.097 60.077 -46.621 151 3HD2 LEU 18 3HD2 LEU 18 45.612 61.360 -45.530 152 H GLN 19 H GLN 19 42.500 65.265 -48.413 153 HA GLN 19 HA GLN 19 41.599 67.706 -47.198 154 1HB GLN 19 1HB GLN 19 41.344 67.270 -49.614 155 2HB GLN 19 2HB GLN 19 40.221 65.955 -49.262 156 1HG GLN 19 1HG GLN 19 39.064 67.961 -47.845 157 2HG GLN 19 2HG GLN 19 39.789 68.886 -49.160 158 2HE2 GLN 19 1HE2 GLN 19 37.957 69.294 -50.472 159 1HE2 GLN 19 2HE2 GLN 19 36.982 68.071 -51.131 160 H LEU 20 H LEU 20 40.416 67.813 -45.350 161 HA LEU 20 HA LEU 20 38.948 65.440 -44.435 162 1HB LEU 20 1HB LEU 20 39.253 68.178 -43.184 163 2HB LEU 20 2HB LEU 20 38.500 66.784 -42.416 164 HG LEU 20 HG LEU 20 41.356 67.381 -42.850 165 1HD1 LEU 20 1HD1 LEU 20 39.706 65.724 -40.940 166 2HD1 LEU 20 2HD1 LEU 20 41.463 65.831 -40.848 167 3HD1 LEU 20 3HD1 LEU 20 40.479 67.278 -40.626 168 1HD2 LEU 20 1HD2 LEU 20 40.234 64.604 -43.303 169 2HD2 LEU 20 2HD2 LEU 20 41.206 65.539 -44.426 170 3HD2 LEU 20 3HD2 LEU 20 41.927 64.921 -42.942 171 H ARG 21 H ARG 21 36.699 65.542 -43.811 172 HA ARG 21 HA ARG 21 35.109 67.677 -45.128 173 1HB ARG 21 1HB ARG 21 35.307 65.559 -46.584 174 2HB ARG 21 2HB ARG 21 34.330 64.765 -45.350 175 1HG ARG 21 1HG ARG 21 33.080 67.252 -45.950 176 2HG ARG 21 2HG ARG 21 33.453 66.465 -47.484 177 1HD ARG 21 1HD ARG 21 32.178 64.557 -46.957 178 2HD ARG 21 2HD ARG 21 32.186 64.917 -45.231 179 HE ARG 21 HE ARG 21 30.849 67.017 -46.674 180 1HH1 ARG 21 1HH1 ARG 21 29.916 65.689 -44.115 181 2HH1 ARG 21 2HH1 ARG 21 28.473 64.893 -44.647 182 1HH2 ARG 21 1HH2 ARG 21 29.249 65.158 -48.015 183 2HH2 ARG 21 2HH2 ARG 21 28.095 64.592 -46.854 184 H LYS 22 H LYS 22 35.891 66.886 -42.390 185 HA LYS 22 HA LYS 22 34.926 66.413 -40.289 186 1HB LYS 22 2HB LYS 22 33.500 68.162 -39.674 187 2HB LYS 22 1HB LYS 22 32.690 68.181 -41.242 188 1HG LYS 22 1HG LYS 22 35.491 69.134 -40.602 189 2HG LYS 22 2HG LYS 22 34.887 68.939 -42.246 190 1HD LYS 22 1HD LYS 22 33.027 70.431 -40.556 191 2HD LYS 22 2HD LYS 22 34.603 71.216 -40.672 192 1HE LYS 22 1HE LYS 22 34.126 71.912 -42.756 193 2HE LYS 22 2HE LYS 22 33.873 70.244 -43.270 194 1HZ LYS 22 1HZ LYS 22 31.758 71.531 -41.714 195 2HZ LYS 22 2HZ LYS 22 31.948 72.012 -43.332 196 3HZ LYS 22 3HZ LYS 22 31.641 70.384 -42.958 197 H GLY 23 H GLY 23 34.229 64.264 -40.278 198 1HA GLY 23 1HA GLY 23 31.900 63.279 -39.654 199 2HA GLY 23 2HA GLY 23 31.486 63.718 -41.314 200 H ASP 24 H ASP 24 33.221 62.882 -42.963 201 HA ASP 24 HA ASP 24 33.225 60.038 -42.897 202 1HB ASP 24 2HB ASP 24 34.575 60.138 -44.854 203 2HB ASP 24 1HB ASP 24 35.269 61.691 -44.391 204 H GLU 25 H GLU 25 34.541 58.649 -41.800 205 HA GLU 25 HA GLU 25 36.679 59.770 -40.131 206 1HB GLU 25 2HB GLU 25 36.640 57.744 -38.983 207 2HB GLU 25 1HB GLU 25 36.214 56.818 -40.423 208 1HG GLU 25 2HG GLU 25 34.174 58.796 -39.750 209 2HG GLU 25 1HG GLU 25 34.453 57.660 -38.429 210 H TYR 26 H TYR 26 38.831 58.548 -40.105 211 HA TYR 26 HA TYR 26 39.653 57.869 -42.894 212 1HB TYR 26 1HB TYR 26 41.388 59.316 -40.879 213 2HB TYR 26 2HB TYR 26 41.699 59.088 -42.596 214 HD1 TYR 26 HD1 TYR 26 38.946 59.614 -43.649 215 HD2 TYR 26 HD2 TYR 26 41.282 61.726 -40.731 216 HE1 TYR 26 HE1 TYR 26 37.722 61.692 -44.189 217 HE2 TYR 26 HE2 TYR 26 40.056 63.811 -41.274 218 HH TYR 26 HH TYR 26 37.783 63.953 -43.969 219 H PHE 27 H PHE 27 40.939 56.063 -43.084 220 HA PHE 27 HA PHE 27 41.244 54.369 -40.701 221 1HB PHE 27 1HB PHE 27 41.445 54.006 -43.651 222 2HB PHE 27 2HB PHE 27 42.453 52.952 -42.660 223 HD1 PHE 27 HD1 PHE 27 39.285 54.318 -41.390 224 HD2 PHE 27 HD2 PHE 27 41.182 50.935 -43.237 225 HE1 PHE 27 HE1 PHE 27 37.306 52.919 -40.861 226 HE2 PHE 27 HE2 PHE 27 39.203 49.536 -42.708 227 HZ PHE 27 HZ PHE 27 37.266 50.530 -41.520 228 H ILE 28 H ILE 28 43.113 54.169 -39.573 229 HA ILE 28 HA ILE 28 45.351 55.855 -40.399 230 HB ILE 28 HB ILE 28 45.176 54.059 -37.983 231 1HG1 ILE 28 2HG1 ILE 28 44.590 56.413 -36.945 232 2HG1 ILE 28 1HG1 ILE 28 43.316 55.439 -37.673 233 1HG2 ILE 28 1HG2 ILE 28 46.883 56.409 -38.824 234 2HG2 ILE 28 2HG2 ILE 28 46.744 55.911 -37.137 235 3HG2 ILE 28 3HG2 ILE 28 47.412 54.800 -38.333 236 1HD1 ILE 28 1HD1 ILE 28 44.857 57.543 -39.216 237 2HD1 ILE 28 2HD1 ILE 28 43.372 56.726 -39.701 238 3HD1 ILE 28 3HD1 ILE 28 43.347 57.887 -38.375 239 H LEU 29 H LEU 29 46.313 54.904 -42.136 240 HA LEU 29 HA LEU 29 47.094 52.117 -42.227 241 1HB LEU 29 1HB LEU 29 47.937 54.592 -43.762 242 2HB LEU 29 2HB LEU 29 48.587 52.989 -44.106 243 HG LEU 29 HG LEU 29 46.308 52.152 -44.524 244 1HD1 LEU 29 1HD1 LEU 29 45.575 55.002 -43.828 245 2HD1 LEU 29 2HD1 LEU 29 44.497 53.948 -44.738 246 3HD1 LEU 29 3HD1 LEU 29 44.967 53.518 -43.094 247 1HD2 LEU 29 1HD2 LEU 29 47.565 54.364 -46.025 248 2HD2 LEU 29 2HD2 LEU 29 47.048 52.775 -46.588 249 3HD2 LEU 29 3HD2 LEU 29 45.870 54.075 -46.418 250 H GLU 30 H GLU 30 48.141 54.845 -40.542 251 HA GLU 30 HA GLU 30 50.312 53.494 -39.252 252 1HB GLU 30 1HB GLU 30 51.102 54.326 -41.721 253 2HB GLU 30 2HB GLU 30 51.458 55.769 -40.771 254 1HG GLU 30 1HG GLU 30 53.192 54.775 -39.709 255 2HG GLU 30 2HG GLU 30 52.280 53.289 -39.438 256 H GLU 31 H GLU 31 51.423 55.043 -37.709 257 HA GLU 31 HA GLU 31 49.921 57.590 -37.350 258 1HB GLU 31 2HB GLU 31 48.821 55.843 -35.960 259 2HB GLU 31 1HB GLU 31 49.558 57.106 -34.976 260 1HG GLU 31 1HG GLU 31 51.051 54.578 -35.680 261 2HG GLU 31 2HG GLU 31 51.392 55.723 -34.383 262 H SER 32 H SER 32 51.092 58.143 -34.793 263 HA SER 32 HA SER 32 53.889 57.800 -34.628 264 1HB SER 32 1HB SER 32 54.009 58.942 -36.796 265 2HB SER 32 2HB SER 32 53.057 60.283 -36.165 266 HG SER 32 HG SER 32 55.655 59.441 -35.402 267 H ASN 33 H ASN 33 54.814 59.194 -32.955 268 HA ASN 33 HA ASN 33 53.225 59.738 -30.761 269 1HB ASN 33 1HB ASN 33 55.757 61.049 -31.735 270 2HB ASN 33 2HB ASN 33 54.979 61.596 -30.248 271 2HD2 ASN 33 1HD2 ASN 33 57.342 60.596 -29.623 272 1HD2 ASN 33 2HD2 ASN 33 57.279 58.987 -29.090 273 H LEU 34 H LEU 34 54.060 62.088 -33.322 274 HA LEU 34 HA LEU 34 52.572 64.276 -32.311 275 1HB LEU 34 1HB LEU 34 53.415 63.422 -35.071 276 2HB LEU 34 2HB LEU 34 52.367 64.824 -34.870 277 HG LEU 34 HG LEU 34 54.786 64.650 -33.129 278 1HD1 LEU 34 1HD1 LEU 34 54.802 64.908 -36.101 279 2HD1 LEU 34 2HD1 LEU 34 55.849 65.998 -35.191 280 3HD1 LEU 34 3HD1 LEU 34 56.034 64.252 -35.023 281 1HD2 LEU 34 1HD2 LEU 34 53.322 66.867 -34.597 282 2HD2 LEU 34 2HD2 LEU 34 53.224 66.509 -32.873 283 3HD2 LEU 34 3HD2 LEU 34 54.729 67.116 -33.564 284 1HB PRO 35 1HB PRO 35 47.322 65.613 -33.749 285 2HB PRO 35 2HB PRO 35 47.784 65.198 -32.090 286 1HG PRO 35 2HG PRO 35 49.207 67.011 -32.271 287 2HG PRO 35 1HG PRO 35 49.184 66.968 -34.042 288 1HD PRO 35 1HD PRO 35 51.243 65.955 -33.919 289 2HD PRO 35 2HD PRO 35 51.080 65.690 -32.171 290 H TRP 36 H TRP 36 50.277 64.486 -35.582 291 HA TRP 36 HA TRP 36 48.216 64.116 -37.659 292 1HB TRP 36 2HB TRP 36 49.803 65.044 -39.146 293 2HB TRP 36 1HB TRP 36 51.160 64.562 -38.139 294 HD1 TRP 36 HD1 TRP 36 48.245 66.120 -36.350 295 HE1 TRP 36 HE1 TRP 36 48.883 68.490 -35.561 296 HE3 TRP 36 HE3 TRP 36 52.670 66.713 -38.827 297 HZ2 TRP 36 HZ2 TRP 36 50.993 70.387 -35.933 298 HZ3 TRP 36 HZ3 TRP 36 53.972 68.809 -38.592 299 HH2 TRP 36 HH2 TRP 36 53.140 70.645 -37.149 300 H TRP 37 H TRP 37 47.975 62.178 -38.808 301 HA TRP 37 HA TRP 37 50.230 60.220 -38.500 302 1HB TRP 37 1HB TRP 37 47.242 59.731 -38.477 303 2HB TRP 37 2HB TRP 37 48.419 58.439 -38.707 304 HD1 TRP 37 HD1 TRP 37 50.423 60.218 -36.586 305 HE1 TRP 37 HE1 TRP 37 50.042 59.751 -34.082 306 HE3 TRP 37 HE3 TRP 37 45.793 58.080 -36.787 307 HZ2 TRP 37 HZ2 TRP 37 48.041 58.614 -32.388 308 HZ3 TRP 37 HZ3 TRP 37 44.679 57.308 -34.714 309 HH2 TRP 37 HH2 TRP 37 45.793 57.572 -32.518 310 H ARG 38 H ARG 38 49.335 58.308 -40.299 311 HA ARG 38 HA ARG 38 49.158 59.824 -42.870 312 1HB ARG 38 1HB ARG 38 51.000 57.610 -42.020 313 2HB ARG 38 2HB ARG 38 50.468 57.661 -43.702 314 1HG ARG 38 1HG ARG 38 51.232 60.307 -42.801 315 2HG ARG 38 2HG ARG 38 52.550 59.162 -42.547 316 1HD ARG 38 1HD ARG 38 51.035 59.461 -45.157 317 2HD ARG 38 2HD ARG 38 52.589 60.223 -44.819 318 HE ARG 38 HE ARG 38 53.581 57.968 -44.694 319 1HH1 ARG 38 1HH1 ARG 38 52.423 55.723 -44.417 320 2HH1 ARG 38 2HH1 ARG 38 51.512 55.290 -45.824 321 1HH2 ARG 38 1HH2 ARG 38 51.506 58.501 -47.132 322 2HH2 ARG 38 2HH2 ARG 38 50.993 56.863 -47.363 323 H ALA 39 H ALA 39 46.848 59.426 -42.599 324 HA ALA 39 HA ALA 39 46.054 56.569 -42.929 325 1HB ALA 39 3HB ALA 39 44.918 57.483 -41.071 326 2HB ALA 39 2HB ALA 39 43.738 57.623 -42.373 327 3HB ALA 39 1HB ALA 39 44.671 59.031 -41.870 328 H ARG 40 H ARG 40 43.887 56.445 -44.229 329 HA ARG 40 HA ARG 40 44.211 58.071 -46.722 330 1HB ARG 40 1HB ARG 40 44.605 55.602 -46.987 331 2HB ARG 40 2HB ARG 40 42.963 55.315 -46.412 332 1HG ARG 40 1HG ARG 40 42.012 56.013 -48.368 333 2HG ARG 40 2HG ARG 40 43.220 57.274 -48.621 334 1HD ARG 40 1HD ARG 40 43.935 55.852 -50.268 335 2HD ARG 40 2HD ARG 40 44.781 55.085 -48.923 336 HE ARG 40 HE ARG 40 42.059 54.137 -49.693 337 1HH1 ARG 40 1HH1 ARG 40 45.335 53.637 -50.302 338 2HH1 ARG 40 2HH1 ARG 40 45.314 51.939 -49.959 339 1HH2 ARG 40 1HH2 ARG 40 42.058 51.950 -48.766 340 2HH2 ARG 40 2HH2 ARG 40 43.458 50.984 -49.090 341 H ASP 41 H ASP 41 42.750 59.721 -46.337 342 HA ASP 41 HA ASP 41 40.395 59.523 -44.806 343 1HB ASP 41 2HB ASP 41 41.370 61.672 -45.521 344 2HB ASP 41 1HB ASP 41 39.656 61.577 -45.921 345 H LYS 42 H LYS 42 38.152 60.114 -46.047 346 HA LYS 42 HA LYS 42 37.385 57.650 -47.339 347 1HB LYS 42 1HB LYS 42 36.068 59.860 -46.155 348 2HB LYS 42 2HB LYS 42 35.479 59.756 -47.815 349 1HG LYS 42 1HG LYS 42 35.282 57.193 -47.307 350 2HG LYS 42 2HG LYS 42 35.308 57.710 -45.620 351 1HD LYS 42 1HD LYS 42 33.424 59.271 -46.108 352 2HD LYS 42 2HD LYS 42 33.357 58.630 -47.750 353 1HE LYS 42 1HE LYS 42 33.113 56.881 -45.292 354 2HE LYS 42 2HE LYS 42 31.719 57.580 -46.115 355 1HZ LYS 42 1HZ LYS 42 32.570 56.520 -48.184 356 2HZ LYS 42 2HZ LYS 42 33.721 55.705 -47.242 357 3HZ LYS 42 3HZ LYS 42 32.065 55.420 -46.992 358 H ASN 43 H ASN 43 39.040 60.290 -48.545 359 HA ASN 43 HA ASN 43 37.777 60.302 -51.198 360 1HB ASN 43 2HB ASN 43 39.500 61.936 -51.773 361 2HB ASN 43 1HB ASN 43 40.373 61.580 -50.282 362 2HD2 ASN 43 1HD2 ASN 43 40.058 63.358 -48.921 363 1HD2 ASN 43 2HD2 ASN 43 38.560 64.101 -48.627 364 H GLY 44 H GLY 44 39.406 57.977 -49.777 365 1HA GLY 44 1HA GLY 44 40.775 56.227 -50.525 366 2HA GLY 44 2HA GLY 44 40.286 56.699 -52.155 367 H GLN 45 H GLN 45 42.165 58.421 -49.649 368 HA GLN 45 HA GLN 45 44.544 58.329 -51.396 369 1HB GLN 45 1HB GLN 45 42.813 60.479 -51.574 370 2HB GLN 45 2HB GLN 45 44.006 61.038 -50.401 371 1HG GLN 45 1HG GLN 45 45.526 59.769 -52.375 372 2HG GLN 45 2HG GLN 45 44.292 60.652 -53.275 373 2HE2 GLN 45 1HE2 GLN 45 44.184 63.021 -52.954 374 1HE2 GLN 45 2HE2 GLN 45 45.519 63.865 -52.332 375 H GLU 46 H GLU 46 46.304 58.055 -50.124 376 HA GLU 46 HA GLU 46 46.001 58.221 -47.212 377 1HB GLU 46 1HB GLU 46 48.560 57.651 -48.715 378 2HB GLU 46 2HB GLU 46 48.096 57.107 -47.101 379 1HG GLU 46 1HG GLU 46 46.350 55.682 -48.037 380 2HG GLU 46 2HG GLU 46 46.689 56.285 -49.660 381 H GLY 47 H GLY 47 46.833 59.852 -45.933 382 1HA GLY 47 1HA GLY 47 48.854 61.690 -46.913 383 2HA GLY 47 2HA GLY 47 47.250 62.410 -46.867 384 H TYR 48 H TYR 48 48.255 63.861 -45.253 385 HA TYR 48 HA TYR 48 48.773 62.622 -42.624 386 1HB TYR 48 1HB TYR 48 50.308 64.277 -42.577 387 2HB TYR 48 2HB TYR 48 49.608 65.035 -43.998 388 HD1 TYR 48 HD1 TYR 48 48.376 64.517 -40.476 389 HD2 TYR 48 HD2 TYR 48 49.259 67.291 -43.629 390 HE1 TYR 48 HE1 TYR 48 47.534 66.378 -39.072 391 HE2 TYR 48 HE2 TYR 48 48.414 69.155 -42.227 392 HH TYR 48 HH TYR 48 47.637 69.747 -40.234 393 H ILE 49 H ILE 49 47.412 62.818 -40.901 394 HA ILE 49 HA ILE 49 44.963 64.479 -41.189 395 HB ILE 49 HB ILE 49 45.144 61.562 -40.560 396 1HG1 ILE 49 2HG1 ILE 49 43.809 63.204 -42.684 397 2HG1 ILE 49 1HG1 ILE 49 43.293 61.551 -42.338 398 1HG2 ILE 49 1HG2 ILE 49 43.632 62.894 -38.963 399 2HG2 ILE 49 2HG2 ILE 49 42.614 63.184 -40.374 400 3HG2 ILE 49 3HG2 ILE 49 42.894 61.537 -39.811 401 1HD1 ILE 49 1HD1 ILE 49 46.122 61.504 -42.438 402 2HD1 ILE 49 2HD1 ILE 49 44.999 60.809 -43.608 403 3HD1 ILE 49 3HD1 ILE 49 45.595 62.454 -43.828 404 1HB PRO 50 1HB PRO 50 45.271 67.659 -36.750 405 2HB PRO 50 2HB PRO 50 46.764 67.568 -37.700 406 1HG PRO 50 2HG PRO 50 45.440 68.337 -39.432 407 2HG PRO 50 1HG PRO 50 43.945 67.802 -38.648 408 1HD PRO 50 1HD PRO 50 43.978 66.010 -40.087 409 2HD PRO 50 2HD PRO 50 45.639 66.372 -40.601 410 H SER 51 H SER 51 46.001 64.798 -35.098 411 HA SER 51 HA SER 51 43.244 63.860 -34.772 412 1HB SER 51 1HB SER 51 45.622 63.892 -32.910 413 2HB SER 51 2HB SER 51 44.057 63.194 -32.505 414 HG SER 51 HG SER 51 46.070 62.203 -34.040 415 H ASN 52 H ASN 52 45.123 66.669 -34.015 416 HA ASN 52 HA ASN 52 43.814 67.676 -31.733 417 1HB ASN 52 1HB ASN 52 44.352 69.969 -32.840 418 2HB ASN 52 2HB ASN 52 45.693 68.898 -32.433 419 2HD2 ASN 52 1HD2 ASN 52 47.068 68.301 -34.136 420 1HD2 ASN 52 2HD2 ASN 52 46.731 68.562 -35.778 421 H TYR 53 H TYR 53 42.593 67.334 -34.966 422 HA TYR 53 HA TYR 53 40.216 68.992 -34.185 423 1HB TYR 53 2HB TYR 53 39.821 69.356 -36.565 424 2HB TYR 53 1HB TYR 53 41.153 68.277 -36.982 425 HD1 TYR 53 HD1 TYR 53 41.074 70.751 -34.200 426 HD2 TYR 53 HD2 TYR 53 42.639 69.786 -38.082 427 HE1 TYR 53 HE1 TYR 53 42.663 72.648 -34.030 428 HE2 TYR 53 HE2 TYR 53 44.228 71.683 -37.913 429 HH TYR 53 HH TYR 53 43.921 74.152 -35.790 430 H VAL 54 H VAL 54 40.988 66.321 -36.398 431 HA VAL 54 HA VAL 54 38.435 65.083 -36.528 432 HB VAL 54 HB VAL 54 39.681 63.159 -37.325 433 1HG1 VAL 54 1HG1 VAL 54 39.984 65.671 -38.341 434 2HG1 VAL 54 2HG1 VAL 54 41.665 65.212 -38.068 435 3HG1 VAL 54 3HG1 VAL 54 40.636 64.218 -39.099 436 1HG2 VAL 54 1HG2 VAL 54 41.899 64.431 -35.740 437 2HG2 VAL 54 2HG2 VAL 54 41.196 62.834 -35.506 438 3HG2 VAL 54 3HG2 VAL 54 42.197 63.158 -36.923 439 H THR 55 H THR 55 39.175 62.419 -35.633 440 HA THR 55 HA THR 55 39.689 62.527 -32.801 441 HB THR 55 HB THR 55 37.421 63.537 -33.017 442 HG1 THR 55 HG1 THR 55 36.524 62.084 -31.384 443 1HG2 THR 55 1HG2 THR 55 36.971 61.455 -34.771 444 2HG2 THR 55 2HG2 THR 55 36.075 60.962 -33.335 445 3HG2 THR 55 3HG2 THR 55 35.736 62.515 -34.095 446 H GLU 56 H GLU 56 37.571 60.151 -32.676 447 HA GLU 56 HA GLU 56 38.022 57.839 -32.548 448 1HB GLU 56 1HB GLU 56 38.377 58.459 -35.479 449 2HB GLU 56 2HB GLU 56 38.259 56.827 -34.837 450 1HG GLU 56 1HG GLU 56 36.169 58.974 -34.389 451 2HG GLU 56 2HG GLU 56 36.070 57.754 -35.660 452 H ALA 57 H ALA 57 40.142 57.174 -35.017 453 HA ALA 57 HA ALA 57 42.275 56.440 -33.320 454 1HB ALA 57 1HB ALA 57 41.755 56.367 -36.081 455 2HB ALA 57 2HB ALA 57 43.255 57.274 -35.918 456 3HB ALA 57 3HB ALA 57 43.131 55.647 -35.251 457 H GLU 58 H GLU 58 42.668 58.201 -31.859 458 HA GLU 58 HA GLU 58 43.874 60.647 -33.095 459 1HB GLU 58 1HB GLU 58 42.059 61.275 -31.676 460 2HB GLU 58 2HB GLU 58 42.551 60.142 -30.419 461 1HG GLU 58 1HG GLU 58 44.058 61.589 -29.545 462 2HG GLU 58 2HG GLU 58 44.646 62.071 -31.136 No H/Q in entry = 462 Start of MODEL 7 1 H1 LEU 1 H1 LEU 1 41.611 48.177 -34.186 2 H2 LEU 1 H2 LEU 1 42.352 47.329 -35.456 3 H3 LEU 1 H3 LEU 1 42.797 48.934 -35.138 4 HA LEU 1 HA LEU 1 41.371 48.852 -37.068 5 1HB LEU 1 1HB LEU 1 40.221 46.721 -36.197 6 2HB LEU 1 2HB LEU 1 39.218 47.800 -35.226 7 HG LEU 1 HG LEU 1 39.526 48.425 -38.131 8 1HD1 LEU 1 1HD1 LEU 1 38.306 45.965 -37.028 9 2HD1 LEU 1 2HD1 LEU 1 37.287 46.869 -38.148 10 3HD1 LEU 1 3HD1 LEU 1 38.876 46.304 -38.663 11 1HD2 LEU 1 1HD2 LEU 1 37.396 48.679 -36.002 12 2HD2 LEU 1 2HD2 LEU 1 38.226 49.970 -36.871 13 3HD2 LEU 1 3HD2 LEU 1 37.044 48.962 -37.706 14 H LYS 2 H LYS 2 41.378 51.071 -37.018 15 HA LYS 2 HA LYS 2 39.309 52.384 -35.368 16 1HB LYS 2 1HB LYS 2 41.020 54.137 -34.661 17 2HB LYS 2 2HB LYS 2 41.166 52.569 -33.867 18 1HG LYS 2 1HG LYS 2 42.670 52.530 -36.319 19 2HG LYS 2 2HG LYS 2 43.149 53.933 -35.365 20 1HD LYS 2 1HD LYS 2 43.008 51.085 -34.329 21 2HD LYS 2 2HD LYS 2 44.489 51.931 -34.778 22 1HE LYS 2 1HE LYS 2 43.431 53.751 -33.081 23 2HE LYS 2 2HE LYS 2 42.767 52.274 -32.382 24 1HZ LYS 2 1HZ LYS 2 45.620 52.439 -33.106 25 2HZ LYS 2 2HZ LYS 2 45.071 53.068 -31.626 26 3HZ LYS 2 3HZ LYS 2 44.861 51.422 -31.977 27 H LYS 3 H LYS 3 38.665 54.412 -36.246 28 HA LYS 3 HA LYS 3 39.996 55.230 -38.787 29 1HB LYS 3 1HB LYS 3 37.249 54.215 -38.416 30 2HB LYS 3 2HB LYS 3 37.350 55.729 -39.315 31 1HG LYS 3 1HG LYS 3 38.803 54.774 -40.953 32 2HG LYS 3 2HG LYS 3 39.089 53.342 -39.964 33 1HD LYS 3 1HD LYS 3 37.180 52.338 -40.660 34 2HD LYS 3 2HD LYS 3 36.245 53.829 -40.529 35 1HE LYS 3 1HE LYS 3 37.659 54.532 -42.649 36 2HE LYS 3 2HE LYS 3 37.838 52.788 -42.847 37 1HZ LYS 3 1HZ LYS 3 35.362 52.662 -42.601 38 2HZ LYS 3 2HZ LYS 3 35.326 54.355 -42.739 39 3HZ LYS 3 3HZ LYS 3 35.910 53.407 -44.023 40 H VAL 4 H VAL 4 40.854 56.995 -37.481 41 HA VAL 4 HA VAL 4 39.525 58.741 -35.789 42 HB VAL 4 HB VAL 4 41.932 58.934 -36.464 43 1HG1 VAL 4 1HG1 VAL 4 41.407 58.697 -38.935 44 2HG1 VAL 4 2HG1 VAL 4 40.866 60.375 -38.900 45 3HG1 VAL 4 3HG1 VAL 4 42.546 59.981 -38.532 46 1HG2 VAL 4 1HG2 VAL 4 40.104 60.983 -35.826 47 2HG2 VAL 4 2HG2 VAL 4 41.854 61.024 -35.616 48 3HG2 VAL 4 3HG2 VAL 4 41.130 61.641 -37.100 49 H VAL 5 H VAL 5 37.639 59.899 -36.051 50 HA VAL 5 HA VAL 5 36.627 60.280 -38.780 51 HB VAL 5 HB VAL 5 35.471 59.877 -36.207 52 1HG1 VAL 5 1HG1 VAL 5 35.262 62.386 -36.186 53 2HG1 VAL 5 2HG1 VAL 5 34.341 62.275 -37.682 54 3HG1 VAL 5 3HG1 VAL 5 33.710 61.554 -36.201 55 1HG2 VAL 5 1HG2 VAL 5 34.624 59.965 -39.074 56 2HG2 VAL 5 2HG2 VAL 5 34.726 58.585 -37.981 57 3HG2 VAL 5 3HG2 VAL 5 33.414 59.752 -37.808 58 H ALA 6 H ALA 6 36.905 62.133 -39.875 59 HA ALA 6 HA ALA 6 38.346 64.354 -38.980 60 1HB ALA 6 3HB ALA 6 38.047 64.861 -41.152 61 2HB ALA 6 1HB ALA 6 36.742 63.682 -41.272 62 3HB ALA 6 2HB ALA 6 36.390 65.340 -40.785 63 H LEU 7 H LEU 7 37.158 66.675 -39.068 64 HA LEU 7 HA LEU 7 34.627 66.754 -37.600 65 1HB LEU 7 1HB LEU 7 36.921 66.502 -36.102 66 2HB LEU 7 2HB LEU 7 36.731 68.248 -36.181 67 HG LEU 7 HG LEU 7 35.589 67.123 -34.237 68 1HD1 LEU 7 1HD1 LEU 7 34.702 69.186 -35.974 69 2HD1 LEU 7 2HD1 LEU 7 33.272 68.272 -35.492 70 3HD1 LEU 7 3HD1 LEU 7 34.320 68.982 -34.264 71 1HD2 LEU 7 1HD2 LEU 7 34.816 65.200 -35.837 72 2HD2 LEU 7 2HD2 LEU 7 33.735 65.729 -34.548 73 3HD2 LEU 7 3HD2 LEU 7 33.474 66.286 -36.201 74 H TYR 8 H TYR 8 37.532 68.587 -38.551 75 HA TYR 8 HA TYR 8 35.710 70.754 -39.515 76 1HB TYR 8 2HB TYR 8 37.244 72.415 -38.741 77 2HB TYR 8 1HB TYR 8 38.484 71.207 -38.396 78 HD1 TYR 8 HD1 TYR 8 35.035 72.285 -37.431 79 HD2 TYR 8 HD2 TYR 8 38.586 70.162 -36.278 80 HE1 TYR 8 HE1 TYR 8 34.132 72.020 -35.139 81 HE2 TYR 8 HE2 TYR 8 37.683 69.896 -33.985 82 HH TYR 8 HH TYR 8 34.494 71.234 -33.102 83 H ASP 9 H ASP 9 36.036 71.284 -41.632 84 HA ASP 9 HA ASP 9 37.615 69.763 -43.378 85 1HB ASP 9 1HB ASP 9 35.768 71.400 -43.992 86 2HB ASP 9 2HB ASP 9 36.965 72.685 -43.823 87 H TYR 10 H TYR 10 39.774 69.664 -43.727 88 HA TYR 10 HA TYR 10 41.428 72.080 -43.244 89 1HB TYR 10 1HB TYR 10 41.566 70.890 -41.126 90 2HB TYR 10 2HB TYR 10 41.926 69.377 -41.961 91 HD1 TYR 10 HD1 TYR 10 43.223 72.710 -41.041 92 HD2 TYR 10 HD2 TYR 10 44.114 68.957 -42.929 93 HE1 TYR 10 HE1 TYR 10 45.636 73.282 -41.038 94 HE2 TYR 10 HE2 TYR 10 46.527 69.527 -42.927 95 HH TYR 10 HH TYR 10 48.043 71.089 -42.490 96 H MET 11 H MET 11 42.650 72.330 -45.047 97 HA MET 11 HA MET 11 43.184 69.969 -46.737 98 1HB MET 11 1HB MET 11 44.020 71.852 -48.339 99 2HB MET 11 2HB MET 11 42.284 71.673 -48.081 100 1HG MET 11 1HG MET 11 43.748 73.436 -46.179 101 2HG MET 11 2HG MET 11 43.536 74.040 -47.823 102 1HE MET 11 1HE MET 11 42.429 75.678 -47.766 103 2HE MET 11 2HE MET 11 40.670 75.670 -47.956 104 3HE MET 11 3HE MET 11 41.391 76.156 -46.424 105 1HB PRO 12 1HB PRO 12 48.518 69.146 -48.180 106 2HB PRO 12 2HB PRO 12 47.639 68.063 -47.087 107 1HG PRO 12 2HG PRO 12 46.205 67.776 -48.876 108 2HG PRO 12 1HG PRO 12 46.730 69.279 -49.654 109 1HD PRO 12 1HD PRO 12 44.799 70.232 -48.853 110 2HD PRO 12 2HD PRO 12 44.465 68.828 -47.818 111 H MET 13 H MET 13 49.633 70.887 -46.484 112 HA MET 13 HA MET 13 49.186 73.582 -47.665 113 1HB MET 13 1HB MET 13 50.293 73.401 -45.427 114 2HB MET 13 2HB MET 13 51.610 72.510 -46.190 115 1HG MET 13 2HG MET 13 51.418 74.704 -47.824 116 2HG MET 13 1HG MET 13 52.549 74.560 -46.478 117 1HE MET 13 1HE MET 13 52.435 75.455 -44.363 118 2HE MET 13 2HE MET 13 52.796 76.895 -45.311 119 3HE MET 13 3HE MET 13 51.642 76.990 -43.983 120 H ASN 14 H ASN 14 50.571 70.517 -48.372 121 HA ASN 14 HA ASN 14 51.631 71.618 -50.918 122 1HB ASN 14 1HB ASN 14 53.214 70.329 -48.759 123 2HB ASN 14 2HB ASN 14 53.554 69.783 -50.401 124 2HD2 ASN 14 1HD2 ASN 14 54.750 71.187 -51.756 125 1HD2 ASN 14 2HD2 ASN 14 55.229 72.752 -51.305 126 H ALA 15 H ALA 15 52.187 68.401 -49.569 127 HA ALA 15 HA ALA 15 49.926 67.219 -50.994 128 1HB ALA 15 3HB ALA 15 51.453 67.535 -52.875 129 2HB ALA 15 2HB ALA 15 51.355 65.818 -52.484 130 3HB ALA 15 1HB ALA 15 52.759 66.759 -51.977 131 H ASN 16 H ASN 16 49.821 66.686 -48.594 132 HA ASN 16 HA ASN 16 50.829 63.979 -48.186 133 1HB ASN 16 1HB ASN 16 52.783 65.426 -47.526 134 2HB ASN 16 2HB ASN 16 51.763 66.141 -46.278 135 2HD2 ASN 16 1HD2 ASN 16 53.294 63.088 -47.305 136 1HD2 ASN 16 2HD2 ASN 16 53.170 62.326 -45.794 137 H ASP 17 H ASP 17 49.881 66.664 -46.016 138 HA ASP 17 HA ASP 17 48.238 65.206 -44.288 139 1HB ASP 17 2HB ASP 17 47.288 67.259 -43.615 140 2HB ASP 17 1HB ASP 17 47.405 67.946 -45.233 141 H LEU 18 H LEU 18 46.229 64.205 -44.513 142 HA LEU 18 HA LEU 18 45.013 64.226 -47.183 143 1HB LEU 18 1HB LEU 18 44.745 62.709 -44.666 144 2HB LEU 18 2HB LEU 18 43.230 62.944 -45.527 145 HG LEU 18 HG LEU 18 43.823 61.517 -47.204 146 1HD1 LEU 18 1HD1 LEU 18 46.464 62.899 -47.015 147 2HD1 LEU 18 2HD1 LEU 18 46.448 61.286 -47.725 148 3HD1 LEU 18 3HD1 LEU 18 45.471 62.570 -48.433 149 1HD2 LEU 18 1HD2 LEU 18 45.894 60.827 -45.107 150 2HD2 LEU 18 2HD2 LEU 18 44.241 60.222 -45.179 151 3HD2 LEU 18 3HD2 LEU 18 45.406 59.760 -46.418 152 H GLN 19 H GLN 19 43.398 65.575 -47.817 153 HA GLN 19 HA GLN 19 42.512 67.739 -46.181 154 1HB GLN 19 1HB GLN 19 42.407 67.882 -48.614 155 2HB GLN 19 2HB GLN 19 41.269 66.535 -48.674 156 1HG GLN 19 1HG GLN 19 39.805 68.006 -47.099 157 2HG GLN 19 2HG GLN 19 40.820 69.335 -47.660 158 2HE2 GLN 19 1HE2 GLN 19 39.425 66.466 -49.360 159 1HE2 GLN 19 2HE2 GLN 19 38.688 67.374 -50.589 160 H LEU 20 H LEU 20 40.807 67.898 -44.761 161 HA LEU 20 HA LEU 20 39.378 65.399 -44.122 162 1HB LEU 20 1HB LEU 20 39.384 68.105 -42.770 163 2HB LEU 20 2HB LEU 20 38.525 66.688 -42.175 164 HG LEU 20 HG LEU 20 41.385 67.349 -42.016 165 1HD1 LEU 20 1HD1 LEU 20 39.250 66.106 -40.483 166 2HD1 LEU 20 2HD1 LEU 20 40.752 65.188 -40.373 167 3HD1 LEU 20 3HD1 LEU 20 40.723 66.890 -39.915 168 1HD2 LEU 20 1HD2 LEU 20 40.500 64.589 -42.907 169 2HD2 LEU 20 2HD2 LEU 20 41.664 65.637 -43.703 170 3HD2 LEU 20 3HD2 LEU 20 42.058 64.905 -42.149 171 H ARG 21 H ARG 21 37.016 65.490 -43.738 172 HA ARG 21 HA ARG 21 35.594 67.548 -45.332 173 1HB ARG 21 1HB ARG 21 36.098 65.159 -46.497 174 2HB ARG 21 2HB ARG 21 34.613 64.755 -45.634 175 1HG ARG 21 1HG ARG 21 33.346 65.971 -47.054 176 2HG ARG 21 2HG ARG 21 34.441 67.352 -46.959 177 1HD ARG 21 1HD ARG 21 35.896 66.411 -48.632 178 2HD ARG 21 2HD ARG 21 35.029 64.876 -48.601 179 HE ARG 21 HE ARG 21 34.314 67.082 -50.230 180 1HH1 ARG 21 1HH1 ARG 21 32.166 67.397 -48.179 181 2HH1 ARG 21 2HH1 ARG 21 30.924 66.350 -48.781 182 1HH2 ARG 21 1HH2 ARG 21 33.043 64.640 -50.931 183 2HH2 ARG 21 2HH2 ARG 21 31.421 64.789 -50.341 184 H LYS 22 H LYS 22 35.992 66.817 -42.501 185 HA LYS 22 HA LYS 22 34.759 66.374 -40.541 186 1HB LYS 22 2HB LYS 22 33.115 68.043 -40.205 187 2HB LYS 22 1HB LYS 22 32.671 68.069 -41.910 188 1HG LYS 22 1HG LYS 22 34.890 69.434 -40.516 189 2HG LYS 22 2HG LYS 22 35.315 68.716 -42.066 190 1HD LYS 22 2HD LYS 22 33.142 69.846 -42.937 191 2HD LYS 22 1HD LYS 22 34.556 70.863 -42.669 192 1HE LYS 22 1HE LYS 22 32.395 70.428 -40.589 193 2HE LYS 22 2HE LYS 22 33.700 71.615 -40.543 194 1HZ LYS 22 1HZ LYS 22 32.748 72.620 -42.560 195 2HZ LYS 22 2HZ LYS 22 31.445 71.533 -42.473 196 3HZ LYS 22 3HZ LYS 22 31.684 72.677 -41.241 197 H GLY 23 H GLY 23 34.051 64.261 -40.414 198 1HA GLY 23 1HA GLY 23 31.754 63.178 -40.097 199 2HA GLY 23 2HA GLY 23 31.467 63.623 -41.781 200 H ASP 24 H ASP 24 33.177 62.764 -43.353 201 HA ASP 24 HA ASP 24 33.262 59.969 -43.348 202 1HB ASP 24 1HB ASP 24 34.874 62.097 -44.682 203 2HB ASP 24 2HB ASP 24 35.518 60.456 -44.713 204 H GLU 25 H GLU 25 34.691 58.441 -42.489 205 HA GLU 25 HA GLU 25 36.495 59.484 -40.373 206 1HB GLU 25 2HB GLU 25 36.277 57.418 -39.315 207 2HB GLU 25 1HB GLU 25 35.998 56.557 -40.829 208 1HG GLU 25 2HG GLU 25 33.974 58.609 -40.179 209 2HG GLU 25 1HG GLU 25 34.021 57.241 -39.066 210 H TYR 26 H TYR 26 38.663 58.534 -40.185 211 HA TYR 26 HA TYR 26 39.770 57.741 -42.843 212 1HB TYR 26 1HB TYR 26 41.292 59.253 -40.713 213 2HB TYR 26 2HB TYR 26 41.709 59.057 -42.413 214 HD1 TYR 26 HD1 TYR 26 38.916 59.494 -43.549 215 HD2 TYR 26 HD2 TYR 26 41.179 61.681 -40.625 216 HE1 TYR 26 HE1 TYR 26 37.659 61.543 -44.116 217 HE2 TYR 26 HE2 TYR 26 39.915 63.732 -41.196 218 HH TYR 26 HH TYR 26 37.242 63.652 -43.538 219 H PHE 27 H PHE 27 40.609 55.731 -42.814 220 HA PHE 27 HA PHE 27 40.956 54.233 -40.350 221 1HB PHE 27 1HB PHE 27 40.717 53.628 -43.110 222 2HB PHE 27 2HB PHE 27 42.294 53.020 -42.606 223 HD1 PHE 27 HD1 PHE 27 41.717 52.404 -39.732 224 HD2 PHE 27 HD2 PHE 27 39.432 51.641 -43.289 225 HE1 PHE 27 HE1 PHE 27 40.622 50.479 -38.617 226 HE2 PHE 27 HE2 PHE 27 38.336 49.716 -42.172 227 HZ PHE 27 HZ PHE 27 38.931 49.136 -39.836 228 H ILE 28 H ILE 28 42.762 54.098 -39.146 229 HA ILE 28 HA ILE 28 45.081 55.662 -39.958 230 HB ILE 28 HB ILE 28 44.756 53.957 -37.498 231 1HG1 ILE 28 2HG1 ILE 28 44.265 56.438 -36.611 232 2HG1 ILE 28 1HG1 ILE 28 42.972 55.396 -37.197 233 1HG2 ILE 28 1HG2 ILE 28 47.047 54.757 -38.134 234 2HG2 ILE 28 2HG2 ILE 28 46.444 56.412 -38.048 235 3HG2 ILE 28 3HG2 ILE 28 46.477 55.409 -36.597 236 1HD1 ILE 28 1HD1 ILE 28 44.437 57.240 -39.087 237 2HD1 ILE 28 2HD1 ILE 28 42.837 56.523 -39.268 238 3HD1 ILE 28 3HD1 ILE 28 43.091 57.830 -38.113 239 H LEU 29 H LEU 29 46.088 54.639 -41.617 240 HA LEU 29 HA LEU 29 46.839 51.824 -41.509 241 1HB LEU 29 1HB LEU 29 47.612 54.151 -43.291 242 2HB LEU 29 2HB LEU 29 48.237 52.518 -43.517 243 HG LEU 29 HG LEU 29 45.934 51.672 -43.761 244 1HD1 LEU 29 1HD1 LEU 29 45.263 54.578 -43.287 245 2HD1 LEU 29 2HD1 LEU 29 44.142 53.481 -44.087 246 3HD1 LEU 29 3HD1 LEU 29 44.649 53.167 -42.428 247 1HD2 LEU 29 1HD2 LEU 29 47.359 53.365 -45.545 248 2HD2 LEU 29 2HD2 LEU 29 46.202 52.099 -45.955 249 3HD2 LEU 29 3HD2 LEU 29 45.647 53.756 -45.715 250 H GLU 30 H GLU 30 47.884 54.641 -40.017 251 HA GLU 30 HA GLU 30 50.152 53.434 -38.771 252 1HB GLU 30 1HB GLU 30 50.687 54.323 -41.402 253 2HB GLU 30 2HB GLU 30 51.415 55.515 -40.325 254 1HG GLU 30 1HG GLU 30 52.208 53.301 -39.045 255 2HG GLU 30 2HG GLU 30 52.061 52.623 -40.666 256 H GLU 31 H GLU 31 51.691 55.545 -38.042 257 HA GLU 31 HA GLU 31 49.864 57.787 -37.365 258 1HB GLU 31 2HB GLU 31 49.810 56.025 -35.529 259 2HB GLU 31 1HB GLU 31 50.293 57.640 -35.011 260 1HG GLU 31 1HG GLU 31 52.325 55.564 -35.845 261 2HG GLU 31 2HG GLU 31 52.587 57.032 -34.903 262 H SER 32 H SER 32 51.141 59.591 -36.278 263 HA SER 32 HA SER 32 53.986 59.593 -37.193 264 1HB SER 32 1HB SER 32 52.029 61.902 -37.402 265 2HB SER 32 2HB SER 32 53.717 61.926 -37.901 266 HG SER 32 HG SER 32 51.664 60.248 -38.926 267 H ASN 33 H ASN 33 53.921 62.520 -36.153 268 HA ASN 33 HA ASN 33 55.142 62.212 -33.694 269 1HB ASN 33 1HB ASN 33 53.489 64.391 -34.894 270 2HB ASN 33 2HB ASN 33 53.859 64.504 -33.173 271 2HD2 ASN 33 1HD2 ASN 33 55.480 64.009 -36.351 272 1HD2 ASN 33 2HD2 ASN 33 56.942 64.736 -35.886 273 H LEU 34 H LEU 34 51.882 63.577 -33.522 274 HA LEU 34 HA LEU 34 51.008 61.349 -31.803 275 1HB LEU 34 1HB LEU 34 51.617 64.106 -30.843 276 2HB LEU 34 2HB LEU 34 50.223 63.276 -30.144 277 HG LEU 34 HG LEU 34 52.954 62.004 -30.377 278 1HD1 LEU 34 1HD1 LEU 34 51.740 63.610 -28.111 279 2HD1 LEU 34 2HD1 LEU 34 53.120 62.532 -27.904 280 3HD1 LEU 34 3HD1 LEU 34 53.249 63.936 -28.963 281 1HD2 LEU 34 1HD2 LEU 34 50.307 61.192 -29.448 282 2HD2 LEU 34 2HD2 LEU 34 51.731 60.201 -29.764 283 3HD2 LEU 34 3HD2 LEU 34 51.533 60.986 -28.198 284 1HB PRO 35 1HB PRO 35 47.398 66.442 -33.777 285 2HB PRO 35 2HB PRO 35 47.273 66.055 -32.051 286 1HG PRO 35 2HG PRO 35 49.335 67.115 -31.938 287 2HG PRO 35 1HG PRO 35 49.696 66.803 -33.645 288 1HD PRO 35 1HD PRO 35 51.048 65.101 -32.851 289 2HD PRO 35 2HD PRO 35 50.261 65.142 -31.258 290 H TRP 36 H TRP 36 49.794 63.499 -34.767 291 HA TRP 36 HA TRP 36 48.188 63.816 -37.276 292 1HB TRP 36 2HB TRP 36 50.223 64.339 -38.434 293 2HB TRP 36 1HB TRP 36 51.206 63.836 -37.065 294 HD1 TRP 36 HD1 TRP 36 48.096 66.035 -36.696 295 HE1 TRP 36 HE1 TRP 36 48.818 68.331 -35.772 296 HE3 TRP 36 HE3 TRP 36 53.170 65.492 -36.856 297 HZ2 TRP 36 HZ2 TRP 36 51.231 69.750 -35.178 298 HZ3 TRP 36 HZ3 TRP 36 54.656 67.328 -36.106 299 HH2 TRP 36 HH2 TRP 36 53.693 69.454 -35.268 300 H TRP 37 H TRP 37 47.921 61.930 -38.497 301 HA TRP 37 HA TRP 37 49.770 59.675 -37.811 302 1HB TRP 37 2HB TRP 37 47.967 58.098 -37.824 303 2HB TRP 37 1HB TRP 37 46.829 59.307 -38.422 304 HD1 TRP 37 HD1 TRP 37 46.825 61.596 -36.690 305 HE1 TRP 37 HE1 TRP 37 46.470 61.549 -34.131 306 HE3 TRP 37 HE3 TRP 37 48.087 56.753 -35.732 307 HZ2 TRP 37 HZ2 TRP 37 46.698 59.687 -31.968 308 HZ3 TRP 37 HZ3 TRP 37 48.013 55.864 -33.419 309 HH2 TRP 37 HH2 TRP 37 47.321 57.323 -31.538 310 H ARG 38 H ARG 38 48.802 57.856 -39.620 311 HA ARG 38 HA ARG 38 49.048 59.246 -42.256 312 1HB ARG 38 1HB ARG 38 50.948 57.494 -41.067 313 2HB ARG 38 2HB ARG 38 50.163 56.588 -42.361 314 1HG ARG 38 1HG ARG 38 50.530 58.944 -43.630 315 2HG ARG 38 2HG ARG 38 51.899 58.995 -42.519 316 1HD ARG 38 1HD ARG 38 52.403 56.594 -43.298 317 2HD ARG 38 2HD ARG 38 51.274 56.911 -44.615 318 HE ARG 38 HE ARG 38 53.615 58.713 -44.179 319 1HH1 ARG 38 1HH1 ARG 38 52.374 59.657 -46.451 320 2HH1 ARG 38 2HH1 ARG 38 52.906 58.662 -47.766 321 1HH2 ARG 38 1HH2 ARG 38 54.020 56.093 -45.719 322 2HH2 ARG 38 2HH2 ARG 38 53.837 56.644 -47.351 323 H ALA 39 H ALA 39 46.692 59.021 -42.216 324 HA ALA 39 HA ALA 39 45.761 56.206 -42.579 325 1HB ALA 39 3HB ALA 39 44.356 56.966 -40.932 326 2HB ALA 39 1HB ALA 39 44.590 58.654 -41.371 327 3HB ALA 39 2HB ALA 39 43.479 57.646 -42.298 328 H ARG 40 H ARG 40 43.507 56.449 -43.917 329 HA ARG 40 HA ARG 40 44.160 57.965 -46.414 330 1HB ARG 40 1HB ARG 40 44.404 55.621 -46.935 331 2HB ARG 40 2HB ARG 40 42.921 55.215 -46.070 332 1HG ARG 40 1HG ARG 40 41.664 56.667 -47.708 333 2HG ARG 40 2HG ARG 40 43.160 56.811 -48.633 334 1HD ARG 40 1HD ARG 40 41.631 54.270 -48.018 335 2HD ARG 40 2HD ARG 40 41.881 55.006 -49.601 336 HE ARG 40 HE ARG 40 44.450 54.558 -48.763 337 1HH1 ARG 40 1HH1 ARG 40 41.600 52.710 -49.284 338 2HH1 ARG 40 2HH1 ARG 40 42.425 51.187 -49.307 339 1HH2 ARG 40 1HH2 ARG 40 45.531 52.560 -48.605 340 2HH2 ARG 40 2HH2 ARG 40 44.652 51.102 -48.928 341 H ASP 41 H ASP 41 42.780 59.705 -46.209 342 HA ASP 41 HA ASP 41 40.300 59.607 -44.803 343 1HB ASP 41 2HB ASP 41 41.523 61.707 -45.254 344 2HB ASP 41 1HB ASP 41 39.844 61.800 -45.784 345 H LYS 42 H LYS 42 38.252 60.516 -46.210 346 HA LYS 42 HA LYS 42 37.392 58.230 -47.744 347 1HB LYS 42 1HB LYS 42 35.913 59.796 -46.391 348 2HB LYS 42 2HB LYS 42 36.081 60.955 -47.710 349 1HG LYS 42 2HG LYS 42 35.352 58.935 -49.216 350 2HG LYS 42 1HG LYS 42 34.126 59.825 -48.313 351 1HD LYS 42 1HD LYS 42 35.446 57.222 -47.482 352 2HD LYS 42 2HD LYS 42 34.319 58.136 -46.480 353 1HE LYS 42 1HE LYS 42 32.649 57.011 -47.492 354 2HE LYS 42 2HE LYS 42 33.038 57.907 -48.961 355 1HZ LYS 42 1HZ LYS 42 34.847 55.752 -48.541 356 2HZ LYS 42 2HZ LYS 42 33.241 55.197 -48.590 357 3HZ LYS 42 3HZ LYS 42 33.875 56.091 -49.888 358 H ASN 43 H ASN 43 39.422 60.736 -48.610 359 HA ASN 43 HA ASN 43 38.427 61.057 -51.354 360 1HB ASN 43 1HB ASN 43 39.810 62.748 -49.855 361 2HB ASN 43 2HB ASN 43 41.190 61.865 -50.509 362 2HD2 ASN 43 1HD2 ASN 43 41.637 64.036 -51.626 363 1HD2 ASN 43 2HD2 ASN 43 40.846 64.350 -53.095 364 H GLY 44 H GLY 44 39.638 58.465 -49.941 365 1HA GLY 44 1HA GLY 44 40.837 56.595 -50.686 366 2HA GLY 44 2HA GLY 44 40.538 57.201 -52.318 367 H GLN 45 H GLN 45 42.398 58.579 -49.591 368 HA GLN 45 HA GLN 45 44.880 58.275 -51.159 369 1HB GLN 45 1HB GLN 45 43.409 60.628 -51.322 370 2HB GLN 45 2HB GLN 45 44.608 60.982 -50.077 371 1HG GLN 45 1HG GLN 45 45.884 59.555 -52.221 372 2HG GLN 45 2HG GLN 45 44.997 60.923 -52.892 373 2HE2 GLN 45 1HE2 GLN 45 45.261 62.951 -51.130 374 1HE2 GLN 45 2HE2 GLN 45 46.887 63.287 -50.780 375 H GLU 46 H GLU 46 46.519 57.803 -49.779 376 HA GLU 46 HA GLU 46 46.000 57.920 -46.882 377 1HB GLU 46 2HB GLU 46 47.895 56.510 -46.649 378 2HB GLU 46 1HB GLU 46 48.562 57.014 -48.204 379 1HG GLU 46 1HG GLU 46 45.871 55.673 -48.092 380 2HG GLU 46 2HG GLU 46 47.032 55.721 -49.419 381 H GLY 47 H GLY 47 47.063 59.366 -45.488 382 1HA GLY 47 1HA GLY 47 49.363 60.894 -46.302 383 2HA GLY 47 2HA GLY 47 47.896 61.846 -46.475 384 H TYR 48 H TYR 48 49.009 63.190 -44.813 385 HA TYR 48 HA TYR 48 49.037 62.084 -42.090 386 1HB TYR 48 1HB TYR 48 50.813 63.539 -42.203 387 2HB TYR 48 2HB TYR 48 50.053 64.533 -43.436 388 HD1 TYR 48 HD1 TYR 48 48.583 63.604 -40.122 389 HD2 TYR 48 HD2 TYR 48 50.360 66.692 -42.518 390 HE1 TYR 48 HE1 TYR 48 47.968 65.290 -38.409 391 HE2 TYR 48 HE2 TYR 48 49.746 68.375 -40.807 392 HH TYR 48 HH TYR 48 49.260 68.398 -38.346 393 H ILE 49 H ILE 49 47.286 62.157 -40.820 394 HA ILE 49 HA ILE 49 45.079 64.015 -41.563 395 HB ILE 49 HB ILE 49 45.160 61.346 -40.245 396 1HG1 ILE 49 2HG1 ILE 49 43.815 62.453 -42.699 397 2HG1 ILE 49 1HG1 ILE 49 43.497 60.839 -42.059 398 1HG2 ILE 49 1HG2 ILE 49 43.613 62.898 -38.998 399 2HG2 ILE 49 2HG2 ILE 49 42.706 63.088 -40.499 400 3HG2 ILE 49 3HG2 ILE 49 42.808 61.507 -39.725 401 1HD1 ILE 49 1HD1 ILE 49 46.213 60.823 -42.084 402 2HD1 ILE 49 2HD1 ILE 49 45.233 60.258 -43.437 403 3HD1 ILE 49 3HD1 ILE 49 45.900 61.891 -43.451 404 1HB PRO 50 1HB PRO 50 43.792 67.724 -37.754 405 2HB PRO 50 2HB PRO 50 45.246 67.981 -38.736 406 1HG PRO 50 2HG PRO 50 43.794 67.860 -40.528 407 2HG PRO 50 1HG PRO 50 42.556 67.018 -39.583 408 1HD PRO 50 1HD PRO 50 43.248 65.082 -40.608 409 2HD PRO 50 2HD PRO 50 44.675 65.888 -41.293 410 H SER 51 H SER 51 45.590 65.051 -35.786 411 HA SER 51 HA SER 51 42.906 63.921 -35.235 412 1HB SER 51 1HB SER 51 45.561 63.643 -33.812 413 2HB SER 51 2HB SER 51 44.065 62.905 -33.251 414 HG SER 51 HG SER 51 44.617 61.354 -34.562 415 H ASN 52 H ASN 52 44.858 66.654 -34.489 416 HA ASN 52 HA ASN 52 44.216 67.399 -31.902 417 1HB ASN 52 1HB ASN 52 44.147 69.759 -32.719 418 2HB ASN 52 2HB ASN 52 45.516 68.861 -33.375 419 2HD2 ASN 52 1HD2 ASN 52 45.783 69.264 -35.567 420 1HD2 ASN 52 2HD2 ASN 52 44.525 69.545 -36.671 421 H TYR 53 H TYR 53 42.106 67.204 -34.674 422 HA TYR 53 HA TYR 53 39.795 67.891 -32.896 423 1HB TYR 53 1HB TYR 53 40.175 68.399 -35.864 424 2HB TYR 53 2HB TYR 53 38.622 68.557 -35.042 425 HD1 TYR 53 HD1 TYR 53 39.365 69.712 -32.453 426 HD2 TYR 53 HD2 TYR 53 40.865 70.587 -36.382 427 HE1 TYR 53 HE1 TYR 53 39.989 71.994 -31.708 428 HE2 TYR 53 HE2 TYR 53 41.490 72.868 -35.637 429 HH TYR 53 HH TYR 53 41.721 73.763 -32.459 430 H VAL 54 H VAL 54 38.740 66.808 -35.902 431 HA VAL 54 HA VAL 54 37.505 64.782 -36.320 432 HB VAL 54 HB VAL 54 39.089 63.104 -36.980 433 1HG1 VAL 54 1HG1 VAL 54 39.216 65.585 -37.889 434 2HG1 VAL 54 2HG1 VAL 54 40.801 65.549 -37.124 435 3HG1 VAL 54 3HG1 VAL 54 40.407 64.384 -38.387 436 1HG2 VAL 54 1HG2 VAL 54 40.956 64.451 -35.011 437 2HG2 VAL 54 2HG2 VAL 54 40.269 62.836 -34.859 438 3HG2 VAL 54 3HG2 VAL 54 41.438 63.182 -36.129 439 H THR 55 H THR 55 38.457 62.182 -35.409 440 HA THR 55 HA THR 55 38.437 62.086 -32.557 441 HB THR 55 HB THR 55 36.165 62.987 -33.033 442 HG1 THR 55 HG1 THR 55 35.439 61.889 -31.365 443 1HG2 THR 55 1HG2 THR 55 36.131 61.082 -35.018 444 2HG2 THR 55 2HG2 THR 55 35.073 60.380 -33.793 445 3HG2 THR 55 3HG2 THR 55 34.730 61.982 -34.444 446 H GLU 56 H GLU 56 36.484 59.608 -32.929 447 HA GLU 56 HA GLU 56 37.026 57.323 -32.933 448 1HB GLU 56 1HB GLU 56 37.863 58.196 -35.692 449 2HB GLU 56 2HB GLU 56 37.707 56.517 -35.204 450 1HG GLU 56 1HG GLU 56 35.457 58.512 -34.899 451 2HG GLU 56 2HG GLU 56 35.668 57.534 -36.352 452 H ALA 57 H ALA 57 39.596 57.043 -35.048 453 HA ALA 57 HA ALA 57 41.415 56.085 -33.149 454 1HB ALA 57 1HB ALA 57 41.458 56.335 -35.859 455 2HB ALA 57 2HB ALA 57 42.640 57.563 -35.405 456 3HB ALA 57 3HB ALA 57 42.868 55.890 -34.899 457 H GLU 58 H GLU 58 41.684 59.316 -34.693 458 HA GLU 58 HA GLU 58 42.844 61.226 -33.914 459 1HB GLU 58 1HB GLU 58 40.588 60.635 -32.347 460 2HB GLU 58 2HB GLU 58 41.858 61.028 -31.187 461 1HG GLU 58 1HG GLU 58 42.028 62.879 -33.366 462 2HG GLU 58 2HG GLU 58 40.354 62.826 -32.811 No H/Q in entry = 462 Start of MODEL 8 1 H1 LEU 1 H1 LEU 1 40.188 48.312 -38.009 2 H2 LEU 1 H2 LEU 1 41.626 47.424 -38.147 3 H3 LEU 1 H3 LEU 1 40.436 46.946 -37.031 4 HA LEU 1 HA LEU 1 41.682 48.040 -35.546 5 1HB LEU 1 1HB LEU 1 43.219 48.501 -37.761 6 2HB LEU 1 2HB LEU 1 42.759 50.145 -37.318 7 HG LEU 1 HG LEU 1 43.562 49.768 -35.025 8 1HD1 LEU 1 1HD1 LEU 1 43.404 47.025 -35.857 9 2HD1 LEU 1 2HD1 LEU 1 45.062 47.370 -35.365 10 3HD1 LEU 1 3HD1 LEU 1 43.730 47.664 -34.246 11 1HD2 LEU 1 1HD2 LEU 1 45.508 49.040 -37.235 12 2HD2 LEU 1 2HD2 LEU 1 45.195 50.646 -36.578 13 3HD2 LEU 1 3HD2 LEU 1 46.006 49.433 -35.589 14 H LYS 2 H LYS 2 42.145 51.004 -35.760 15 HA LYS 2 HA LYS 2 39.372 51.789 -35.100 16 1HB LYS 2 2HB LYS 2 40.379 53.802 -34.159 17 2HB LYS 2 1HB LYS 2 41.940 53.386 -34.866 18 1HG LYS 2 1HG LYS 2 40.890 51.172 -33.311 19 2HG LYS 2 2HG LYS 2 42.426 52.022 -33.136 20 1HD LYS 2 2HD LYS 2 40.853 53.909 -32.104 21 2HD LYS 2 1HD LYS 2 41.449 52.576 -31.114 22 1HE LYS 2 1HE LYS 2 39.081 51.697 -32.457 23 2HE LYS 2 2HE LYS 2 39.331 51.923 -30.726 24 1HZ LYS 2 1HZ LYS 2 39.023 54.430 -31.427 25 2HZ LYS 2 2HZ LYS 2 38.127 53.724 -32.686 26 3HZ LYS 2 3HZ LYS 2 37.695 53.435 -31.068 27 H LYS 3 H LYS 3 39.171 54.375 -35.751 28 HA LYS 3 HA LYS 3 40.021 54.835 -38.533 29 1HB LYS 3 1HB LYS 3 37.307 53.944 -37.771 30 2HB LYS 3 2HB LYS 3 37.359 55.356 -38.827 31 1HG LYS 3 1HG LYS 3 38.114 54.152 -40.600 32 2HG LYS 3 2HG LYS 3 39.219 53.206 -39.604 33 1HD LYS 3 2HD LYS 3 36.989 52.122 -38.697 34 2HD LYS 3 1HD LYS 3 37.681 51.573 -40.224 35 1HE LYS 3 1HE LYS 3 35.320 53.390 -39.763 36 2HE LYS 3 2HE LYS 3 36.202 53.438 -41.289 37 1HZ LYS 3 1HZ LYS 3 35.601 50.774 -40.409 38 2HZ LYS 3 2HZ LYS 3 34.209 51.707 -40.673 39 3HZ LYS 3 3HZ LYS 3 35.342 51.501 -41.923 40 H VAL 4 H VAL 4 40.998 56.750 -37.679 41 HA VAL 4 HA VAL 4 39.698 58.572 -35.927 42 HB VAL 4 HB VAL 4 42.154 58.554 -36.565 43 1HG1 VAL 4 1HG1 VAL 4 41.609 58.520 -39.062 44 2HG1 VAL 4 2HG1 VAL 4 41.254 60.240 -38.899 45 3HG1 VAL 4 3HG1 VAL 4 42.875 59.639 -38.558 46 1HG2 VAL 4 1HG2 VAL 4 40.629 61.156 -36.744 47 2HG2 VAL 4 2HG2 VAL 4 41.190 60.379 -35.265 48 3HG2 VAL 4 3HG2 VAL 4 42.358 61.027 -36.418 49 H VAL 5 H VAL 5 37.814 59.611 -36.373 50 HA VAL 5 HA VAL 5 37.067 60.151 -39.153 51 HB VAL 5 HB VAL 5 35.288 59.248 -37.897 52 1HG1 VAL 5 1HG1 VAL 5 36.555 60.811 -35.783 53 2HG1 VAL 5 2HG1 VAL 5 34.798 60.938 -35.751 54 3HG1 VAL 5 3HG1 VAL 5 35.569 59.355 -35.662 55 1HG2 VAL 5 1HG2 VAL 5 34.806 61.376 -39.244 56 2HG2 VAL 5 2HG2 VAL 5 33.618 60.945 -38.014 57 3HG2 VAL 5 3HG2 VAL 5 34.793 62.223 -37.697 58 H ALA 6 H ALA 6 37.236 62.118 -40.115 59 HA ALA 6 HA ALA 6 38.684 64.260 -39.055 60 1HB ALA 6 3HB ALA 6 38.374 64.829 -41.219 61 2HB ALA 6 1HB ALA 6 36.939 63.812 -41.343 62 3HB ALA 6 2HB ALA 6 36.801 65.465 -40.745 63 H LEU 7 H LEU 7 37.555 66.576 -38.940 64 HA LEU 7 HA LEU 7 35.060 66.554 -37.360 65 1HB LEU 7 1HB LEU 7 37.517 66.490 -36.052 66 2HB LEU 7 2HB LEU 7 37.128 68.198 -36.097 67 HG LEU 7 HG LEU 7 36.286 66.914 -34.083 68 1HD1 LEU 7 1HD1 LEU 7 35.088 68.943 -35.670 69 2HD1 LEU 7 2HD1 LEU 7 33.784 67.905 -35.090 70 3HD1 LEU 7 3HD1 LEU 7 34.882 68.667 -33.940 71 1HD2 LEU 7 1HD2 LEU 7 35.522 64.991 -35.709 72 2HD2 LEU 7 2HD2 LEU 7 34.552 65.365 -34.285 73 3HD2 LEU 7 3HD2 LEU 7 34.063 65.970 -35.867 74 H TYR 8 H TYR 8 37.814 68.703 -38.098 75 HA TYR 8 HA TYR 8 35.844 70.688 -39.156 76 1HB TYR 8 2HB TYR 8 37.330 72.436 -38.434 77 2HB TYR 8 1HB TYR 8 38.601 71.274 -38.050 78 HD1 TYR 8 HD1 TYR 8 35.310 72.613 -37.027 79 HD2 TYR 8 HD2 TYR 8 38.503 69.917 -36.029 80 HE1 TYR 8 HE1 TYR 8 34.386 72.364 -34.741 81 HE2 TYR 8 HE2 TYR 8 37.577 69.669 -33.745 82 HH TYR 8 HH TYR 8 35.398 69.925 -32.608 83 H ASP 9 H ASP 9 36.279 71.567 -41.195 84 HA ASP 9 HA ASP 9 37.624 70.065 -43.124 85 1HB ASP 9 1HB ASP 9 36.084 72.236 -43.282 86 2HB ASP 9 2HB ASP 9 37.647 73.035 -43.446 87 H TYR 10 H TYR 10 39.752 69.662 -43.500 88 HA TYR 10 HA TYR 10 41.738 71.731 -42.680 89 1HB TYR 10 1HB TYR 10 41.547 69.743 -41.042 90 2HB TYR 10 2HB TYR 10 42.263 68.777 -42.333 91 HD1 TYR 10 HD1 TYR 10 42.798 71.771 -40.182 92 HD2 TYR 10 HD2 TYR 10 44.587 68.891 -42.820 93 HE1 TYR 10 HE1 TYR 10 45.050 72.603 -39.564 94 HE2 TYR 10 HE2 TYR 10 46.840 69.723 -42.200 95 HH TYR 10 HH TYR 10 47.859 70.935 -40.178 96 H MET 11 H MET 11 42.341 72.369 -44.733 97 HA MET 11 HA MET 11 42.620 70.449 -46.901 98 1HB MET 11 2HB MET 11 41.899 72.878 -47.157 99 2HB MET 11 1HB MET 11 43.162 72.348 -48.266 100 1HG MET 11 1HG MET 11 43.754 73.701 -45.623 101 2HG MET 11 2HG MET 11 44.871 73.410 -46.957 102 1HE MET 11 1HE MET 11 44.099 75.666 -45.182 103 2HE MET 11 2HE MET 11 44.112 77.136 -46.166 104 3HE MET 11 3HE MET 11 42.590 76.495 -45.554 105 1HB PRO 12 1HB PRO 12 47.625 69.209 -49.021 106 2HB PRO 12 2HB PRO 12 46.654 68.031 -48.123 107 1HG PRO 12 2HG PRO 12 45.076 68.405 -49.769 108 2HG PRO 12 1HG PRO 12 45.789 69.961 -50.225 109 1HD PRO 12 1HD PRO 12 44.099 70.952 -49.030 110 2HD PRO 12 2HD PRO 12 43.613 69.401 -48.312 111 H MET 13 H MET 13 49.129 70.172 -47.581 112 HA MET 13 HA MET 13 49.218 72.901 -48.617 113 1HB MET 13 1HB MET 13 48.981 72.914 -45.972 114 2HB MET 13 2HB MET 13 50.706 72.553 -46.041 115 1HG MET 13 2HG MET 13 50.278 74.600 -47.934 116 2HG MET 13 1HG MET 13 51.090 74.746 -46.376 117 1HE MET 13 1HE MET 13 48.139 74.611 -48.383 118 2HE MET 13 2HE MET 13 46.757 75.208 -47.455 119 3HE MET 13 3HE MET 13 47.833 76.342 -48.268 120 H ASN 14 H ASN 14 50.960 70.129 -47.252 121 HA ASN 14 HA ASN 14 52.753 69.947 -49.469 122 1HB ASN 14 1HB ASN 14 53.467 71.934 -47.549 123 2HB ASN 14 2HB ASN 14 54.611 70.601 -47.394 124 2HD2 ASN 14 1HD2 ASN 14 55.390 73.148 -48.490 125 1HD2 ASN 14 2HD2 ASN 14 55.767 72.922 -50.129 126 H ALA 15 H ALA 15 52.088 69.263 -46.077 127 HA ALA 15 HA ALA 15 53.890 66.996 -45.910 128 1HB ALA 15 2HB ALA 15 51.655 66.816 -44.081 129 2HB ALA 15 3HB ALA 15 53.356 67.122 -43.726 130 3HB ALA 15 1HB ALA 15 52.281 68.465 -44.120 131 H ASN 16 H ASN 16 51.166 67.408 -47.729 132 HA ASN 16 HA ASN 16 49.996 65.805 -49.008 133 1HB ASN 16 1HB ASN 16 52.144 64.351 -48.183 134 2HB ASN 16 2HB ASN 16 50.839 63.482 -47.375 135 2HD2 ASN 16 1HD2 ASN 16 49.729 61.985 -48.648 136 1HD2 ASN 16 2HD2 ASN 16 49.754 61.947 -50.345 137 H ASP 17 H ASP 17 49.531 66.744 -45.971 138 HA ASP 17 HA ASP 17 47.858 65.014 -44.606 139 1HB ASP 17 1HB ASP 17 48.330 67.792 -44.595 140 2HB ASP 17 2HB ASP 17 46.582 67.603 -44.734 141 H LEU 18 H LEU 18 45.732 64.254 -44.840 142 HA LEU 18 HA LEU 18 44.596 64.455 -47.543 143 1HB LEU 18 1HB LEU 18 44.113 62.896 -45.062 144 2HB LEU 18 2HB LEU 18 42.680 63.227 -46.019 145 HG LEU 18 HG LEU 18 43.225 61.616 -47.498 146 1HD1 LEU 18 1HD1 LEU 18 45.827 63.097 -47.646 147 2HD1 LEU 18 2HD1 LEU 18 45.733 61.479 -48.337 148 3HD1 LEU 18 3HD1 LEU 18 44.663 62.751 -48.922 149 1HD2 LEU 18 1HD2 LEU 18 45.552 61.151 -45.617 150 2HD2 LEU 18 2HD2 LEU 18 43.929 60.488 -45.444 151 3HD2 LEU 18 3HD2 LEU 18 44.947 59.986 -46.788 152 H GLN 19 H GLN 19 43.044 65.923 -48.151 153 HA GLN 19 HA GLN 19 42.291 68.068 -46.421 154 1HB GLN 19 1HB GLN 19 42.219 68.159 -48.929 155 2HB GLN 19 2HB GLN 19 40.804 67.107 -48.883 156 1HG GLN 19 1HG GLN 19 40.424 69.280 -47.038 157 2HG GLN 19 2HG GLN 19 40.864 69.929 -48.618 158 2HE2 GLN 19 1HE2 GLN 19 38.452 70.667 -48.462 159 1HE2 GLN 19 2HE2 GLN 19 37.287 69.579 -49.044 160 H LEU 20 H LEU 20 41.100 67.730 -44.597 161 HA LEU 20 HA LEU 20 39.362 65.473 -44.264 162 1HB LEU 20 1HB LEU 20 39.544 68.041 -42.679 163 2HB LEU 20 2HB LEU 20 38.615 66.628 -42.191 164 HG LEU 20 HG LEU 20 41.539 67.073 -42.155 165 1HD1 LEU 20 1HD1 LEU 20 39.413 66.164 -40.448 166 2HD1 LEU 20 2HD1 LEU 20 40.678 64.938 -40.509 167 3HD1 LEU 20 3HD1 LEU 20 41.070 66.583 -40.015 168 1HD2 LEU 20 1HD2 LEU 20 40.303 64.450 -43.015 169 2HD2 LEU 20 2HD2 LEU 20 41.545 65.370 -43.850 170 3HD2 LEU 20 3HD2 LEU 20 41.923 64.565 -42.330 171 H ARG 21 H ARG 21 37.090 65.445 -44.057 172 HA ARG 21 HA ARG 21 35.668 67.732 -45.333 173 1HB ARG 21 2HB ARG 21 34.427 66.329 -46.739 174 2HB ARG 21 1HB ARG 21 34.710 64.911 -45.729 175 1HG ARG 21 1HG ARG 21 36.908 66.315 -47.272 176 2HG ARG 21 2HG ARG 21 36.992 64.743 -46.475 177 1HD ARG 21 1HD ARG 21 35.157 63.962 -48.037 178 2HD ARG 21 2HD ARG 21 35.363 65.475 -48.919 179 HE ARG 21 HE ARG 21 37.181 63.196 -48.986 180 1HH1 ARG 21 1HH1 ARG 21 36.307 66.045 -50.463 181 2HH1 ARG 21 2HH1 ARG 21 37.899 66.488 -50.982 182 1HH2 ARG 21 1HH2 ARG 21 39.475 63.999 -49.154 183 2HH2 ARG 21 2HH2 ARG 21 39.692 65.329 -50.241 184 H LYS 22 H LYS 22 36.177 66.805 -42.570 185 HA LYS 22 HA LYS 22 35.010 66.281 -40.583 186 1HB LYS 22 2HB LYS 22 33.523 68.032 -40.045 187 2HB LYS 22 1HB LYS 22 32.984 68.203 -41.717 188 1HG LYS 22 1HG LYS 22 35.141 69.541 -40.394 189 2HG LYS 22 2HG LYS 22 35.809 68.553 -41.689 190 1HD LYS 22 1HD LYS 22 35.186 70.816 -42.494 191 2HD LYS 22 2HD LYS 22 34.244 69.558 -43.291 192 1HE LYS 22 1HE LYS 22 32.346 69.976 -41.852 193 2HE LYS 22 2HE LYS 22 33.287 71.090 -40.858 194 1HZ LYS 22 1HZ LYS 22 33.506 71.948 -43.492 195 2HZ LYS 22 2HZ LYS 22 31.863 71.620 -43.229 196 3HZ LYS 22 3HZ LYS 22 32.683 72.710 -42.216 197 H GLY 23 H GLY 23 34.244 64.161 -40.726 198 1HA GLY 23 1HA GLY 23 31.815 63.272 -40.344 199 2HA GLY 23 2HA GLY 23 31.580 63.778 -42.019 200 H ASP 24 H ASP 24 33.384 62.883 -43.546 201 HA ASP 24 HA ASP 24 33.227 60.059 -43.594 202 1HB ASP 24 2HB ASP 24 34.913 60.125 -45.312 203 2HB ASP 24 1HB ASP 24 35.515 61.681 -44.743 204 H GLU 25 H GLU 25 34.295 58.534 -42.399 205 HA GLU 25 HA GLU 25 36.240 59.465 -40.426 206 1HB GLU 25 1HB GLU 25 35.359 56.623 -40.978 207 2HB GLU 25 2HB GLU 25 36.142 57.228 -39.517 208 1HG GLU 25 2HG GLU 25 33.938 58.902 -39.836 209 2HG GLU 25 1HG GLU 25 34.071 57.568 -38.690 210 H TYR 26 H TYR 26 38.386 58.453 -40.195 211 HA TYR 26 HA TYR 26 39.490 57.581 -42.834 212 1HB TYR 26 2HB TYR 26 41.469 58.843 -42.414 213 2HB TYR 26 1HB TYR 26 41.033 59.102 -40.725 214 HD1 TYR 26 HD1 TYR 26 38.746 59.307 -43.628 215 HD2 TYR 26 HD2 TYR 26 40.951 61.513 -40.678 216 HE1 TYR 26 HE1 TYR 26 37.527 61.362 -44.266 217 HE2 TYR 26 HE2 TYR 26 39.730 63.572 -41.320 218 HH TYR 26 HH TYR 26 38.439 64.496 -43.021 219 H PHE 27 H PHE 27 41.163 56.012 -42.760 220 HA PHE 27 HA PHE 27 41.218 54.413 -40.242 221 1HB PHE 27 1HB PHE 27 40.521 53.411 -42.546 222 2HB PHE 27 2HB PHE 27 42.241 53.486 -42.927 223 HD1 PHE 27 HD1 PHE 27 43.878 52.155 -41.653 224 HD2 PHE 27 HD2 PHE 27 39.663 51.870 -40.880 225 HE1 PHE 27 HE1 PHE 27 44.254 50.062 -40.376 226 HE2 PHE 27 HE2 PHE 27 40.038 49.778 -39.602 227 HZ PHE 27 HZ PHE 27 42.333 48.875 -39.352 228 H ILE 28 H ILE 28 43.161 54.141 -39.191 229 HA ILE 28 HA ILE 28 45.341 55.859 -40.114 230 HB ILE 28 HB ILE 28 45.257 54.112 -37.658 231 1HG1 ILE 28 2HG1 ILE 28 44.687 56.450 -36.629 232 2HG1 ILE 28 1HG1 ILE 28 43.392 55.512 -37.370 233 1HG2 ILE 28 1HG2 ILE 28 47.139 56.024 -38.843 234 2HG2 ILE 28 2HG2 ILE 28 46.727 56.407 -37.171 235 3HG2 ILE 28 3HG2 ILE 28 47.403 54.829 -37.574 236 1HD1 ILE 28 1HD1 ILE 28 44.974 57.480 -39.017 237 2HD1 ILE 28 2HD1 ILE 28 43.343 56.866 -39.293 238 3HD1 ILE 28 3HD1 ILE 28 43.638 58.036 -38.009 239 H LEU 29 H LEU 29 46.236 54.845 -41.885 240 HA LEU 29 HA LEU 29 47.066 52.090 -41.940 241 1HB LEU 29 1HB LEU 29 47.881 54.575 -43.469 242 2HB LEU 29 2HB LEU 29 48.601 52.997 -43.790 243 HG LEU 29 HG LEU 29 46.386 52.064 -44.267 244 1HD1 LEU 29 1HD1 LEU 29 45.471 54.866 -43.584 245 2HD1 LEU 29 2HD1 LEU 29 44.461 53.710 -44.450 246 3HD1 LEU 29 3HD1 LEU 29 44.986 53.361 -42.804 247 1HD2 LEU 29 1HD2 LEU 29 47.370 54.499 -45.707 248 2HD2 LEU 29 2HD2 LEU 29 47.303 52.825 -46.260 249 3HD2 LEU 29 3HD2 LEU 29 45.831 53.795 -46.205 250 H GLU 30 H GLU 30 48.135 54.883 -40.325 251 HA GLU 30 HA GLU 30 50.202 53.580 -38.871 252 1HB GLU 30 1HB GLU 30 50.999 54.576 -41.474 253 2HB GLU 30 2HB GLU 30 51.846 55.450 -40.197 254 1HG GLU 30 1HG GLU 30 52.760 53.457 -39.287 255 2HG GLU 30 2HG GLU 30 51.638 52.436 -40.188 256 H GLU 31 H GLU 31 51.033 55.019 -37.238 257 HA GLU 31 HA GLU 31 49.887 57.782 -37.320 258 1HB GLU 31 1HB GLU 31 49.479 57.549 -34.852 259 2HB GLU 31 2HB GLU 31 48.481 56.475 -35.833 260 1HG GLU 31 1HG GLU 31 50.338 54.723 -35.489 261 2HG GLU 31 2HG GLU 31 50.931 55.783 -34.209 262 H SER 32 H SER 32 50.965 59.070 -35.367 263 HA SER 32 HA SER 32 53.705 58.274 -34.736 264 1HB SER 32 1HB SER 32 53.762 60.875 -36.091 265 2HB SER 32 2HB SER 32 54.863 59.508 -36.240 266 HG SER 32 HG SER 32 53.788 58.856 -37.928 267 H ASN 33 H ASN 33 54.805 60.169 -33.517 268 HA ASN 33 HA ASN 33 53.202 60.983 -31.347 269 1HB ASN 33 1HB ASN 33 55.697 62.305 -32.459 270 2HB ASN 33 2HB ASN 33 55.009 62.630 -30.866 271 2HD2 ASN 33 1HD2 ASN 33 57.570 61.098 -31.993 272 1HD2 ASN 33 2HD2 ASN 33 57.593 59.698 -31.034 273 H LEU 34 H LEU 34 54.253 62.983 -34.129 274 HA LEU 34 HA LEU 34 52.945 65.359 -33.585 275 1HB LEU 34 1HB LEU 34 52.388 65.222 -36.217 276 2HB LEU 34 2HB LEU 34 54.019 65.518 -35.615 277 HG LEU 34 HG LEU 34 53.240 62.667 -35.828 278 1HD1 LEU 34 1HD1 LEU 34 52.371 64.104 -37.912 279 2HD1 LEU 34 2HD1 LEU 34 54.065 63.976 -38.383 280 3HD1 LEU 34 3HD1 LEU 34 53.109 62.516 -38.127 281 1HD2 LEU 34 1HD2 LEU 34 55.528 63.789 -35.248 282 2HD2 LEU 34 2HD2 LEU 34 55.521 62.403 -36.338 283 3HD2 LEU 34 3HD2 LEU 34 55.661 64.037 -36.989 284 1HB PRO 35 1HB PRO 35 47.684 66.855 -34.928 285 2HB PRO 35 2HB PRO 35 48.298 66.881 -33.267 286 1HG PRO 35 2HG PRO 35 49.823 68.406 -34.102 287 2HG PRO 35 1HG PRO 35 49.607 67.849 -35.770 288 1HD PRO 35 1HD PRO 35 51.592 66.719 -35.501 289 2HD PRO 35 2HD PRO 35 51.573 66.964 -33.743 290 H TRP 36 H TRP 36 50.062 65.403 -36.752 291 HA TRP 36 HA TRP 36 47.784 64.296 -38.235 292 1HB TRP 36 2HB TRP 36 48.939 64.942 -40.187 293 2HB TRP 36 1HB TRP 36 50.512 64.830 -39.400 294 HD1 TRP 36 HD1 TRP 36 47.634 66.607 -37.669 295 HE1 TRP 36 HE1 TRP 36 48.167 69.125 -37.521 296 HE3 TRP 36 HE3 TRP 36 51.837 66.791 -40.564 297 HZ2 TRP 36 HZ2 TRP 36 50.121 70.973 -38.499 298 HZ3 TRP 36 HZ3 TRP 36 53.013 68.939 -40.939 299 HH2 TRP 36 HH2 TRP 36 52.161 71.029 -39.911 300 H TRP 37 H TRP 37 47.645 62.170 -38.977 301 HA TRP 37 HA TRP 37 49.995 60.426 -38.331 302 1HB TRP 37 1HB TRP 37 47.031 59.798 -38.436 303 2HB TRP 37 2HB TRP 37 48.282 58.567 -38.282 304 HD1 TRP 37 HD1 TRP 37 49.790 61.180 -36.471 305 HE1 TRP 37 HE1 TRP 37 49.265 61.102 -33.949 306 HE3 TRP 37 HE3 TRP 37 45.764 58.038 -36.504 307 HZ2 TRP 37 HZ2 TRP 37 47.387 59.870 -32.178 308 HZ3 TRP 37 HZ3 TRP 37 44.627 57.429 -34.388 309 HH2 TRP 37 HH2 TRP 37 45.433 58.340 -32.227 310 H ARG 38 H ARG 38 49.141 58.200 -39.858 311 HA ARG 38 HA ARG 38 49.289 59.322 -42.628 312 1HB ARG 38 1HB ARG 38 51.139 57.656 -41.321 313 2HB ARG 38 2HB ARG 38 50.236 56.580 -42.388 314 1HG ARG 38 1HG ARG 38 50.666 58.815 -43.971 315 2HG ARG 38 2HG ARG 38 52.172 58.670 -43.064 316 1HD ARG 38 1HD ARG 38 51.959 56.119 -43.684 317 2HD ARG 38 2HD ARG 38 50.917 56.722 -44.972 318 HE ARG 38 HE ARG 38 53.344 58.240 -44.942 319 1HH1 ARG 38 1HH1 ARG 38 52.655 54.910 -45.111 320 2HH1 ARG 38 2HH1 ARG 38 53.579 54.635 -46.549 321 1HH2 ARG 38 1HH2 ARG 38 54.299 57.990 -47.046 322 2HH2 ARG 38 2HH2 ARG 38 54.511 56.379 -47.645 323 H ALA 39 H ALA 39 46.897 59.245 -42.478 324 HA ALA 39 HA ALA 39 45.851 56.455 -42.703 325 1HB ALA 39 3HB ALA 39 44.751 57.427 -40.861 326 2HB ALA 39 2HB ALA 39 43.617 57.705 -42.180 327 3HB ALA 39 1HB ALA 39 44.666 59.010 -41.629 328 H ARG 40 H ARG 40 43.944 56.247 -44.145 329 HA ARG 40 HA ARG 40 44.196 58.030 -46.535 330 1HB ARG 40 1HB ARG 40 44.774 55.744 -47.115 331 2HB ARG 40 2HB ARG 40 43.345 55.123 -46.286 332 1HG ARG 40 1HG ARG 40 41.976 56.574 -47.905 333 2HG ARG 40 2HG ARG 40 43.465 56.740 -48.836 334 1HD ARG 40 2HD ARG 40 43.632 54.272 -48.988 335 2HD ARG 40 1HD ARG 40 42.129 54.865 -49.697 336 HE ARG 40 HE ARG 40 41.330 54.305 -47.160 337 1HH1 ARG 40 1HH1 ARG 40 42.202 52.574 -49.909 338 2HH1 ARG 40 2HH1 ARG 40 42.201 51.020 -49.143 339 1HH2 ARG 40 1HH2 ARG 40 41.778 52.301 -45.949 340 2HH2 ARG 40 2HH2 ARG 40 41.961 50.866 -46.902 341 H ASP 41 H ASP 41 42.575 59.530 -46.260 342 HA ASP 41 HA ASP 41 40.246 59.176 -44.719 343 1HB ASP 41 1HB ASP 41 39.293 61.070 -46.087 344 2HB ASP 41 2HB ASP 41 40.881 61.391 -45.390 345 H LYS 42 H LYS 42 37.946 59.289 -45.730 346 HA LYS 42 HA LYS 42 37.524 56.822 -47.165 347 1HB LYS 42 1HB LYS 42 35.948 58.622 -45.673 348 2HB LYS 42 2HB LYS 42 35.239 58.590 -47.287 349 1HG LYS 42 1HG LYS 42 35.149 56.132 -47.214 350 2HG LYS 42 2HG LYS 42 35.885 56.147 -45.610 351 1HD LYS 42 1HD LYS 42 33.897 57.724 -44.986 352 2HD LYS 42 2HD LYS 42 33.139 57.058 -46.432 353 1HE LYS 42 1HE LYS 42 33.600 54.754 -45.515 354 2HE LYS 42 2HE LYS 42 34.127 55.520 -44.017 355 1HZ LYS 42 1HZ LYS 42 31.548 56.355 -45.078 356 2HZ LYS 42 2HZ LYS 42 31.629 54.780 -44.446 357 3HZ LYS 42 3HZ LYS 42 32.033 56.113 -43.471 358 H ASN 43 H ASN 43 38.536 59.818 -48.255 359 HA ASN 43 HA ASN 43 37.043 59.844 -50.770 360 1HB ASN 43 1HB ASN 43 38.331 61.790 -49.409 361 2HB ASN 43 2HB ASN 43 39.609 61.330 -50.534 362 2HD2 ASN 43 1HD2 ASN 43 39.469 63.125 -51.978 363 1HD2 ASN 43 2HD2 ASN 43 38.081 63.475 -52.889 364 H GLY 44 H GLY 44 39.259 57.746 -49.660 365 1HA GLY 44 1HA GLY 44 40.579 56.155 -50.772 366 2HA GLY 44 2HA GLY 44 39.972 56.807 -52.297 367 H GLN 45 H GLN 45 41.745 58.524 -49.717 368 HA GLN 45 HA GLN 45 44.041 58.798 -51.583 369 1HB GLN 45 1HB GLN 45 42.212 60.811 -51.311 370 2HB GLN 45 2HB GLN 45 43.348 61.216 -50.023 371 1HG GLN 45 1HG GLN 45 45.218 61.053 -51.665 372 2HG GLN 45 2HG GLN 45 44.037 60.760 -52.942 373 2HE2 GLN 45 1HE2 GLN 45 42.227 62.552 -53.032 374 1HE2 GLN 45 2HE2 GLN 45 42.750 64.151 -52.806 375 H GLU 46 H GLU 46 45.859 58.267 -50.493 376 HA GLU 46 HA GLU 46 45.776 58.047 -47.557 377 1HB GLU 46 2HB GLU 46 47.822 56.852 -47.754 378 2HB GLU 46 1HB GLU 46 48.181 57.566 -49.328 379 1HG GLU 46 1HG GLU 46 46.001 55.561 -48.677 380 2HG GLU 46 2HG GLU 46 46.131 56.395 -50.226 381 H GLY 47 H GLY 47 46.660 59.572 -46.198 382 1HA GLY 47 1HA GLY 47 48.798 61.331 -47.038 383 2HA GLY 47 2HA GLY 47 47.248 62.160 -47.019 384 H TYR 48 H TYR 48 48.414 63.445 -45.320 385 HA TYR 48 HA TYR 48 48.652 62.080 -42.719 386 1HB TYR 48 1HB TYR 48 49.447 64.783 -43.759 387 2HB TYR 48 2HB TYR 48 49.297 64.528 -42.021 388 HD1 TYR 48 HD1 TYR 48 50.667 62.653 -44.977 389 HD2 TYR 48 HD2 TYR 48 51.265 63.958 -40.928 390 HE1 TYR 48 HE1 TYR 48 52.892 61.556 -44.951 391 HE2 TYR 48 HE2 TYR 48 53.489 62.861 -40.903 392 HH TYR 48 HH TYR 48 54.873 61.449 -43.820 393 H ILE 49 H ILE 49 47.089 62.183 -41.180 394 HA ILE 49 HA ILE 49 44.874 64.146 -41.588 395 HB ILE 49 HB ILE 49 44.822 61.302 -40.660 396 1HG1 ILE 49 2HG1 ILE 49 43.590 62.778 -42.978 397 2HG1 ILE 49 1HG1 ILE 49 43.150 61.126 -42.535 398 1HG2 ILE 49 1HG2 ILE 49 43.289 63.120 -39.437 399 2HG2 ILE 49 2HG2 ILE 49 42.306 62.879 -40.879 400 3HG2 ILE 49 3HG2 ILE 49 42.679 61.513 -39.829 401 1HD1 ILE 49 1HD1 ILE 49 45.919 61.055 -42.541 402 2HD1 ILE 49 2HD1 ILE 49 44.883 60.489 -43.846 403 3HD1 ILE 49 3HD1 ILE 49 45.551 62.119 -43.900 404 1HB PRO 50 1HB PRO 50 44.079 67.247 -37.147 405 2HB PRO 50 2HB PRO 50 45.486 67.590 -38.167 406 1HG PRO 50 2HG PRO 50 43.913 67.865 -39.840 407 2HG PRO 50 1HG PRO 50 42.696 66.904 -38.983 408 1HD PRO 50 1HD PRO 50 43.241 65.191 -40.418 409 2HD PRO 50 2HD PRO 50 44.700 66.035 -40.980 410 H SER 51 H SER 51 45.386 65.365 -35.330 411 HA SER 51 HA SER 51 43.141 63.436 -34.977 412 1HB SER 51 1HB SER 51 45.609 64.030 -33.344 413 2HB SER 51 2HB SER 51 44.255 63.115 -32.689 414 HG SER 51 HG SER 51 45.549 61.607 -33.586 415 H ASN 52 H ASN 52 44.473 66.515 -33.835 416 HA ASN 52 HA ASN 52 42.458 66.913 -31.791 417 1HB ASN 52 1HB ASN 52 43.260 69.311 -31.893 418 2HB ASN 52 2HB ASN 52 44.534 68.127 -31.597 419 2HD2 ASN 52 1HD2 ASN 52 45.932 69.968 -32.551 420 1HD2 ASN 52 2HD2 ASN 52 46.095 70.026 -34.239 421 H TYR 53 H TYR 53 42.373 67.055 -35.175 422 HA TYR 53 HA TYR 53 39.921 68.774 -35.079 423 1HB TYR 53 1HB TYR 53 42.235 68.733 -36.894 424 2HB TYR 53 2HB TYR 53 40.685 68.693 -37.735 425 HD1 TYR 53 HD1 TYR 53 40.991 70.208 -34.403 426 HD2 TYR 53 HD2 TYR 53 40.964 70.965 -38.631 427 HE1 TYR 53 HE1 TYR 53 40.690 72.630 -33.968 428 HE2 TYR 53 HE2 TYR 53 40.664 73.387 -38.195 429 HH TYR 53 HH TYR 53 40.730 74.990 -36.608 430 H VAL 54 H VAL 54 40.158 65.877 -34.608 431 HA VAL 54 HA VAL 54 38.171 64.963 -36.604 432 HB VAL 54 HB VAL 54 39.410 62.979 -37.184 433 1HG1 VAL 54 1HG1 VAL 54 39.962 65.292 -38.239 434 2HG1 VAL 54 2HG1 VAL 54 41.474 65.146 -37.351 435 3HG1 VAL 54 3HG1 VAL 54 41.038 63.934 -38.554 436 1HG2 VAL 54 1HG2 VAL 54 41.247 63.988 -35.030 437 2HG2 VAL 54 2HG2 VAL 54 40.516 62.393 -35.196 438 3HG2 VAL 54 3HG2 VAL 54 41.831 62.875 -36.267 439 H THR 55 H THR 55 38.694 62.195 -35.667 440 HA THR 55 HA THR 55 38.200 62.219 -32.823 441 HB THR 55 HB THR 55 36.008 62.261 -34.798 442 HG1 THR 55 HG1 THR 55 35.025 62.984 -32.669 443 1HG2 THR 55 1HG2 THR 55 35.913 59.907 -33.851 444 2HG2 THR 55 2HG2 THR 55 35.674 60.640 -32.266 445 3HG2 THR 55 3HG2 THR 55 34.486 60.889 -33.542 446 H GLU 56 H GLU 56 37.265 59.730 -32.384 447 HA GLU 56 HA GLU 56 37.887 57.493 -32.444 448 1HB GLU 56 1HB GLU 56 37.968 58.185 -35.361 449 2HB GLU 56 2HB GLU 56 38.319 56.563 -34.779 450 1HG GLU 56 1HG GLU 56 36.128 56.516 -33.624 451 2HG GLU 56 2HG GLU 56 35.762 58.109 -34.285 452 H ALA 57 H ALA 57 40.036 57.075 -34.913 453 HA ALA 57 HA ALA 57 42.263 56.794 -33.174 454 1HB ALA 57 1HB ALA 57 41.705 56.455 -35.977 455 2HB ALA 57 2HB ALA 57 43.257 57.269 -35.779 456 3HB ALA 57 3HB ALA 57 42.975 55.708 -35.008 457 H GLU 58 H GLU 58 42.063 58.976 -32.068 458 HA GLU 58 HA GLU 58 43.786 60.943 -33.504 459 1HB GLU 58 1HB GLU 58 42.352 62.761 -32.427 460 2HB GLU 58 2HB GLU 58 41.609 61.888 -33.766 461 1HG GLU 58 2HG GLU 58 41.037 60.404 -31.419 462 2HG GLU 58 1HG GLU 58 39.906 61.326 -32.411 No H/Q in entry = 462 Start of MODEL 9 1 H1 LEU 1 H1 LEU 1 43.983 49.515 -36.371 2 H2 LEU 1 H2 LEU 1 43.295 48.014 -35.984 3 H3 LEU 1 H3 LEU 1 44.020 48.248 -37.503 4 HA LEU 1 HA LEU 1 42.261 49.349 -38.360 5 1HB LEU 1 1HB LEU 1 41.530 47.260 -36.507 6 2HB LEU 1 2HB LEU 1 40.256 48.480 -36.562 7 HG LEU 1 HG LEU 1 40.518 48.347 -39.135 8 1HD1 LEU 1 1HD1 LEU 1 42.418 46.342 -38.222 9 2HD1 LEU 1 2HD1 LEU 1 41.204 45.635 -39.289 10 3HD1 LEU 1 3HD1 LEU 1 42.180 46.995 -39.843 11 1HD2 LEU 1 1HD2 LEU 1 39.416 46.015 -37.534 12 2HD2 LEU 1 2HD2 LEU 1 38.552 47.495 -37.951 13 3HD2 LEU 1 3HD2 LEU 1 39.014 46.357 -39.216 14 H LYS 2 H LYS 2 41.946 51.519 -38.236 15 HA LYS 2 HA LYS 2 40.769 52.607 -35.721 16 1HB LYS 2 1HB LYS 2 43.324 53.341 -37.002 17 2HB LYS 2 2HB LYS 2 42.279 54.710 -36.620 18 1HG LYS 2 2HG LYS 2 42.025 53.321 -34.324 19 2HG LYS 2 1HG LYS 2 43.295 54.519 -34.574 20 1HD LYS 2 1HD LYS 2 43.724 51.653 -35.394 21 2HD LYS 2 2HD LYS 2 44.926 52.881 -34.993 22 1HE LYS 2 1HE LYS 2 44.783 52.470 -32.761 23 2HE LYS 2 2HE LYS 2 43.031 52.269 -32.815 24 1HZ LYS 2 1HZ LYS 2 43.443 50.081 -33.896 25 2HZ LYS 2 2HZ LYS 2 45.098 50.278 -33.562 26 3HZ LYS 2 3HZ LYS 2 43.977 50.177 -32.289 27 H LYS 3 H LYS 3 39.928 54.938 -36.214 28 HA LYS 3 HA LYS 3 39.223 55.487 -38.987 29 1HB LYS 3 2HB LYS 3 37.624 53.647 -38.256 30 2HB LYS 3 1HB LYS 3 36.858 55.129 -38.830 31 1HG LYS 3 1HG LYS 3 37.480 55.021 -35.927 32 2HG LYS 3 2HG LYS 3 36.064 55.676 -36.752 33 1HD LYS 3 2HD LYS 3 35.725 53.060 -37.315 34 2HD LYS 3 1HD LYS 3 35.064 53.814 -35.864 35 1HE LYS 3 1HE LYS 3 37.824 53.059 -35.432 36 2HE LYS 3 2HE LYS 3 36.386 52.548 -34.548 37 1HZ LYS 3 1HZ LYS 3 36.160 51.202 -36.872 38 2HZ LYS 3 2HZ LYS 3 37.842 51.193 -36.630 39 3HZ LYS 3 3HZ LYS 3 36.813 50.562 -35.439 40 H VAL 4 H VAL 4 40.574 57.179 -37.356 41 HA VAL 4 HA VAL 4 39.175 58.826 -35.577 42 HB VAL 4 HB VAL 4 40.882 60.388 -35.804 43 1HG1 VAL 4 1HG1 VAL 4 41.910 58.106 -35.661 44 2HG1 VAL 4 2HG1 VAL 4 42.110 58.138 -37.411 45 3HG1 VAL 4 3HG1 VAL 4 42.954 59.311 -36.406 46 1HG2 VAL 4 1HG2 VAL 4 40.611 59.892 -38.759 47 2HG2 VAL 4 2HG2 VAL 4 40.432 61.404 -37.876 48 3HG2 VAL 4 3HG2 VAL 4 42.035 60.711 -38.126 49 H VAL 5 H VAL 5 37.406 60.247 -35.875 50 HA VAL 5 HA VAL 5 36.404 60.469 -38.625 51 HB VAL 5 HB VAL 5 35.221 60.383 -36.029 52 1HG1 VAL 5 1HG1 VAL 5 35.150 62.869 -36.207 53 2HG1 VAL 5 2HG1 VAL 5 34.342 62.716 -37.764 54 3HG1 VAL 5 3HG1 VAL 5 33.539 62.164 -36.294 55 1HG2 VAL 5 1HG2 VAL 5 34.806 59.236 -38.330 56 2HG2 VAL 5 2HG2 VAL 5 33.433 59.569 -37.274 57 3HG2 VAL 5 3HG2 VAL 5 33.776 60.632 -38.640 58 H ALA 6 H ALA 6 36.889 62.198 -39.872 59 HA ALA 6 HA ALA 6 38.444 64.391 -39.136 60 1HB ALA 6 3HB ALA 6 38.103 64.332 -41.431 61 2HB ALA 6 2HB ALA 6 36.956 65.600 -40.998 62 3HB ALA 6 1HB ALA 6 36.388 63.952 -41.271 63 H LEU 7 H LEU 7 37.504 66.773 -39.200 64 HA LEU 7 HA LEU 7 34.939 67.038 -37.776 65 1HB LEU 7 1HB LEU 7 37.233 66.741 -36.288 66 2HB LEU 7 2HB LEU 7 37.112 68.489 -36.426 67 HG LEU 7 HG LEU 7 35.940 67.508 -34.442 68 1HD1 LEU 7 1HD1 LEU 7 35.179 69.558 -36.156 69 2HD1 LEU 7 2HD1 LEU 7 33.689 68.644 -35.922 70 3HD1 LEU 7 3HD1 LEU 7 34.552 69.294 -34.528 71 1HD2 LEU 7 1HD2 LEU 7 35.119 65.531 -35.995 72 2HD2 LEU 7 2HD2 LEU 7 34.111 66.088 -34.658 73 3HD2 LEU 7 3HD2 LEU 7 33.767 66.621 -36.304 74 H TYR 8 H TYR 8 37.912 68.718 -38.806 75 HA TYR 8 HA TYR 8 36.162 70.891 -39.873 76 1HB TYR 8 2HB TYR 8 37.792 72.544 -39.157 77 2HB TYR 8 1HB TYR 8 38.874 71.277 -38.575 78 HD1 TYR 8 HD1 TYR 8 35.635 72.984 -38.008 79 HD2 TYR 8 HD2 TYR 8 38.471 70.146 -36.470 80 HE1 TYR 8 HE1 TYR 8 34.468 73.004 -35.823 81 HE2 TYR 8 HE2 TYR 8 37.302 70.167 -34.284 82 HH TYR 8 HH TYR 8 35.138 70.697 -33.362 83 H ASP 9 H ASP 9 36.480 71.177 -42.017 84 HA ASP 9 HA ASP 9 38.039 69.679 -43.709 85 1HB ASP 9 1HB ASP 9 36.401 71.374 -44.475 86 2HB ASP 9 2HB ASP 9 37.531 72.653 -44.029 87 H TYR 10 H TYR 10 40.195 69.349 -43.913 88 HA TYR 10 HA TYR 10 42.044 71.601 -43.298 89 1HB TYR 10 1HB TYR 10 41.825 70.015 -41.320 90 2HB TYR 10 2HB TYR 10 42.539 68.770 -42.346 91 HD1 TYR 10 HD1 TYR 10 43.137 72.290 -41.202 92 HD2 TYR 10 HD2 TYR 10 44.866 68.561 -42.450 93 HE1 TYR 10 HE1 TYR 10 45.401 73.172 -40.702 94 HE2 TYR 10 HE2 TYR 10 47.131 69.444 -41.950 95 HH TYR 10 HH TYR 10 47.569 72.692 -40.555 96 H MET 11 H MET 11 42.671 71.863 -45.446 97 HA MET 11 HA MET 11 43.314 69.569 -47.118 98 1HB MET 11 1HB MET 11 44.071 71.349 -48.739 99 2HB MET 11 2HB MET 11 42.399 71.525 -48.206 100 1HG MET 11 1HG MET 11 42.932 73.303 -46.739 101 2HG MET 11 2HG MET 11 44.655 72.930 -46.779 102 1HE MET 11 1HE MET 11 42.222 75.026 -47.384 103 2HE MET 11 2HE MET 11 43.511 76.200 -47.682 104 3HE MET 11 3HE MET 11 42.328 75.849 -48.940 105 1HB PRO 12 1HB PRO 12 48.578 68.482 -48.589 106 2HB PRO 12 2HB PRO 12 47.664 67.432 -47.493 107 1HG PRO 12 2HG PRO 12 46.196 67.228 -49.267 108 2HG PRO 12 1HG PRO 12 46.780 68.712 -50.039 109 1HD PRO 12 1HD PRO 12 44.904 69.744 -49.207 110 2HD PRO 12 2HD PRO 12 44.522 68.350 -48.173 111 H MET 13 H MET 13 49.049 70.966 -45.942 112 HA MET 13 HA MET 13 49.441 72.799 -48.274 113 1HB MET 13 2HB MET 13 49.747 74.637 -46.711 114 2HB MET 13 1HB MET 13 49.613 73.538 -45.337 115 1HG MET 13 1HG MET 13 47.400 73.800 -47.377 116 2HG MET 13 2HG MET 13 47.308 73.142 -45.744 117 1HE MET 13 1HE MET 13 47.518 74.458 -43.600 118 2HE MET 13 2HE MET 13 49.055 75.167 -44.112 119 3HE MET 13 3HE MET 13 47.778 76.196 -43.470 120 H ASN 14 H ASN 14 50.884 70.378 -46.697 121 HA ASN 14 HA ASN 14 53.465 70.746 -47.658 122 1HB ASN 14 1HB ASN 14 52.924 72.383 -45.276 123 2HB ASN 14 2HB ASN 14 54.347 71.353 -45.116 124 2HD2 ASN 14 1HD2 ASN 14 55.592 71.345 -47.495 125 1HD2 ASN 14 2HD2 ASN 14 55.921 72.911 -48.061 126 H ALA 15 H ALA 15 51.431 69.573 -45.063 127 HA ALA 15 HA ALA 15 53.338 67.369 -44.494 128 1HB ALA 15 3HB ALA 15 52.429 68.334 -42.503 129 2HB ALA 15 1HB ALA 15 50.791 68.303 -43.155 130 3HB ALA 15 2HB ALA 15 51.595 66.795 -42.717 131 H ASN 16 H ASN 16 51.514 67.760 -46.970 132 HA ASN 16 HA ASN 16 50.068 66.434 -48.281 133 1HB ASN 16 1HB ASN 16 52.363 65.132 -47.902 134 2HB ASN 16 2HB ASN 16 51.307 64.009 -47.043 135 2HD2 ASN 16 1HD2 ASN 16 52.372 62.906 -49.269 136 1HD2 ASN 16 2HD2 ASN 16 51.263 62.868 -50.554 137 H ASP 17 H ASP 17 48.861 67.213 -45.846 138 HA ASP 17 HA ASP 17 47.708 64.921 -44.489 139 1HB ASP 17 1HB ASP 17 47.245 67.882 -44.483 140 2HB ASP 17 2HB ASP 17 46.013 66.829 -43.786 141 H LEU 18 H LEU 18 45.504 64.159 -44.695 142 HA LEU 18 HA LEU 18 44.492 64.294 -47.443 143 1HB LEU 18 1HB LEU 18 43.971 62.731 -44.985 144 2HB LEU 18 2HB LEU 18 42.552 63.019 -45.977 145 HG LEU 18 HG LEU 18 43.180 61.417 -47.428 146 1HD1 LEU 18 1HD1 LEU 18 45.749 62.970 -47.529 147 2HD1 LEU 18 2HD1 LEU 18 45.673 61.371 -48.265 148 3HD1 LEU 18 3HD1 LEU 18 44.590 62.648 -48.816 149 1HD2 LEU 18 1HD2 LEU 18 43.921 60.384 -45.308 150 2HD2 LEU 18 2HD2 LEU 18 44.891 59.836 -46.671 151 3HD2 LEU 18 3HD2 LEU 18 45.535 61.044 -45.563 152 H GLN 19 H GLN 19 43.195 65.909 -48.121 153 HA GLN 19 HA GLN 19 42.163 67.999 -46.600 154 1HB GLN 19 1HB GLN 19 42.125 67.790 -49.131 155 2HB GLN 19 2HB GLN 19 40.690 66.779 -48.950 156 1HG GLN 19 1HG GLN 19 39.478 68.578 -47.880 157 2HG GLN 19 2HG GLN 19 40.929 69.580 -47.821 158 2HE2 GLN 19 1HE2 GLN 19 39.221 67.689 -50.393 159 1HE2 GLN 19 2HE2 GLN 19 39.267 68.940 -51.540 160 H LEU 20 H LEU 20 41.285 67.303 -44.613 161 HA LEU 20 HA LEU 20 39.509 65.201 -44.149 162 1HB LEU 20 1HB LEU 20 39.582 67.935 -42.860 163 2HB LEU 20 2HB LEU 20 38.621 66.591 -42.251 164 HG LEU 20 HG LEU 20 41.572 66.991 -42.199 165 1HD1 LEU 20 1HD1 LEU 20 40.119 67.199 -40.206 166 2HD1 LEU 20 2HD1 LEU 20 39.611 65.524 -40.417 167 3HD1 LEU 20 3HD1 LEU 20 41.292 65.894 -40.026 168 1HD2 LEU 20 1HD2 LEU 20 41.289 64.960 -43.633 169 2HD2 LEU 20 2HD2 LEU 20 42.023 64.585 -42.075 170 3HD2 LEU 20 3HD2 LEU 20 40.319 64.227 -42.356 171 H ARG 21 H ARG 21 37.184 65.156 -43.933 172 HA ARG 21 HA ARG 21 35.773 67.188 -45.597 173 1HB ARG 21 1HB ARG 21 36.124 64.978 -46.801 174 2HB ARG 21 2HB ARG 21 35.106 64.234 -45.568 175 1HG ARG 21 1HG ARG 21 33.216 65.566 -46.193 176 2HG ARG 21 2HG ARG 21 34.209 66.607 -47.215 177 1HD ARG 21 1HD ARG 21 34.744 64.558 -48.608 178 2HD ARG 21 2HD ARG 21 33.509 63.699 -47.686 179 HE ARG 21 HE ARG 21 32.510 66.183 -48.822 180 1HH1 ARG 21 1HH1 ARG 21 31.424 63.216 -48.500 181 2HH1 ARG 21 2HH1 ARG 21 31.068 62.880 -50.161 182 1HH2 ARG 21 1HH2 ARG 21 32.834 65.610 -51.367 183 2HH2 ARG 21 2HH2 ARG 21 31.866 64.235 -51.784 184 H LYS 22 H LYS 22 36.179 66.755 -42.712 185 HA LYS 22 HA LYS 22 34.944 66.474 -40.707 186 1HB LYS 22 2HB LYS 22 33.415 68.283 -40.470 187 2HB LYS 22 1HB LYS 22 33.011 68.268 -42.187 188 1HG LYS 22 1HG LYS 22 35.268 69.547 -40.800 189 2HG LYS 22 2HG LYS 22 35.741 68.643 -42.237 190 1HD LYS 22 2HD LYS 22 33.513 69.920 -43.153 191 2HD LYS 22 1HD LYS 22 35.149 70.552 -43.334 192 1HE LYS 22 1HE LYS 22 34.695 71.527 -40.916 193 2HE LYS 22 2HE LYS 22 34.087 72.370 -42.341 194 1HZ LYS 22 1HZ LYS 22 31.979 71.164 -42.058 195 2HZ LYS 22 2HZ LYS 22 32.572 70.482 -40.623 196 3HZ LYS 22 3HZ LYS 22 32.342 72.161 -40.732 197 H GLY 23 H GLY 23 34.110 64.400 -40.515 198 1HA GLY 23 1HA GLY 23 31.705 63.554 -40.101 199 2HA GLY 23 2HA GLY 23 31.473 63.880 -41.821 200 H ASP 24 H ASP 24 33.173 62.783 -43.275 201 HA ASP 24 HA ASP 24 33.045 59.981 -42.993 202 1HB ASP 24 1HB ASP 24 34.935 61.787 -44.509 203 2HB ASP 24 2HB ASP 24 35.108 60.033 -44.562 204 H GLU 25 H GLU 25 34.725 58.448 -42.335 205 HA GLU 25 HA GLU 25 36.426 59.594 -40.174 206 1HB GLU 25 2HB GLU 25 36.262 57.553 -39.072 207 2HB GLU 25 1HB GLU 25 36.079 56.640 -40.570 208 1HG GLU 25 2HG GLU 25 33.909 58.564 -40.119 209 2HG GLU 25 1HG GLU 25 34.018 57.336 -38.857 210 H TYR 26 H TYR 26 38.573 58.372 -39.890 211 HA TYR 26 HA TYR 26 39.759 57.716 -42.548 212 1HB TYR 26 1HB TYR 26 41.082 59.433 -40.430 213 2HB TYR 26 2HB TYR 26 41.708 59.067 -42.031 214 HD1 TYR 26 HD1 TYR 26 38.450 60.374 -40.595 215 HD2 TYR 26 HD2 TYR 26 41.533 60.773 -43.561 216 HE1 TYR 26 HE1 TYR 26 37.275 62.325 -41.566 217 HE2 TYR 26 HE2 TYR 26 40.352 62.736 -44.511 218 HH TYR 26 HH TYR 26 37.980 63.593 -44.575 219 H PHE 27 H PHE 27 41.016 55.897 -42.483 220 HA PHE 27 HA PHE 27 41.418 54.586 -39.855 221 1HB PHE 27 1HB PHE 27 41.497 53.666 -42.722 222 2HB PHE 27 2HB PHE 27 42.289 52.709 -41.469 223 HD1 PHE 27 HD1 PHE 27 39.097 54.685 -41.622 224 HD2 PHE 27 HD2 PHE 27 40.971 50.907 -40.813 225 HE1 PHE 27 HE1 PHE 27 36.904 53.742 -40.952 226 HE2 PHE 27 HE2 PHE 27 38.778 49.962 -40.143 227 HZ PHE 27 HZ PHE 27 36.745 51.380 -40.212 228 H ILE 28 H ILE 28 43.388 54.508 -38.903 229 HA ILE 28 HA ILE 28 45.588 55.964 -40.137 230 HB ILE 28 HB ILE 28 45.730 54.357 -37.596 231 1HG1 ILE 28 2HG1 ILE 28 45.110 56.730 -36.617 232 2HG1 ILE 28 1HG1 ILE 28 43.829 55.628 -37.117 233 1HG2 ILE 28 1HG2 ILE 28 47.090 56.870 -38.611 234 2HG2 ILE 28 2HG2 ILE 28 47.325 56.180 -37.004 235 3HG2 ILE 28 3HG2 ILE 28 47.829 55.278 -38.433 236 1HD1 ILE 28 1HD1 ILE 28 44.943 57.489 -39.176 237 2HD1 ILE 28 2HD1 ILE 28 43.301 56.874 -38.995 238 3HD1 ILE 28 3HD1 ILE 28 43.880 58.169 -37.946 239 H LEU 29 H LEU 29 46.489 54.896 -41.816 240 HA LEU 29 HA LEU 29 46.972 52.075 -41.907 241 1HB LEU 29 1HB LEU 29 47.940 54.493 -43.430 242 2HB LEU 29 2HB LEU 29 48.563 52.881 -43.788 243 HG LEU 29 HG LEU 29 46.723 53.270 -45.264 244 1HD1 LEU 29 1HD1 LEU 29 46.879 51.053 -43.946 245 2HD1 LEU 29 2HD1 LEU 29 45.486 51.652 -43.047 246 3HD1 LEU 29 3HD1 LEU 29 45.367 51.397 -44.789 247 1HD2 LEU 29 1HD2 LEU 29 45.690 55.122 -44.016 248 2HD2 LEU 29 2HD2 LEU 29 44.493 53.910 -44.460 249 3HD2 LEU 29 3HD2 LEU 29 45.103 53.979 -42.809 250 H GLU 30 H GLU 30 48.400 54.517 -40.074 251 HA GLU 30 HA GLU 30 50.456 52.809 -39.050 252 1HB GLU 30 1HB GLU 30 51.528 53.231 -41.220 253 2HB GLU 30 2HB GLU 30 51.386 54.970 -40.964 254 1HG GLU 30 1HG GLU 30 53.149 55.027 -39.529 255 2HG GLU 30 2HG GLU 30 52.681 53.516 -38.748 256 H GLU 31 H GLU 31 51.502 56.079 -39.494 257 HA GLU 31 HA GLU 31 50.050 57.506 -37.598 258 1HB GLU 31 1HB GLU 31 51.628 57.252 -35.587 259 2HB GLU 31 2HB GLU 31 50.509 55.921 -35.881 260 1HG GLU 31 1HG GLU 31 52.445 54.932 -37.326 261 2HG GLU 31 2HG GLU 31 53.466 56.049 -36.420 262 H SER 32 H SER 32 51.545 59.275 -36.507 263 HA SER 32 HA SER 32 53.988 59.782 -38.106 264 1HB SER 32 1HB SER 32 51.528 60.964 -38.786 265 2HB SER 32 2HB SER 32 52.416 62.215 -37.926 266 HG SER 32 HG SER 32 52.741 61.746 -40.357 267 H ASN 33 H ASN 33 54.093 62.565 -37.224 268 HA ASN 33 HA ASN 33 55.554 62.432 -34.892 269 1HB ASN 33 1HB ASN 33 53.716 64.610 -35.894 270 2HB ASN 33 2HB ASN 33 54.704 64.819 -34.448 271 2HD2 ASN 33 1HD2 ASN 33 54.748 65.434 -37.717 272 1HD2 ASN 33 2HD2 ASN 33 56.424 65.424 -37.982 273 H LEU 34 H LEU 34 52.245 63.759 -34.653 274 HA LEU 34 HA LEU 34 51.619 61.859 -32.504 275 1HB LEU 34 1HB LEU 34 52.280 64.731 -32.036 276 2HB LEU 34 2HB LEU 34 51.006 63.996 -31.058 277 HG LEU 34 HG LEU 34 53.823 62.948 -31.404 278 1HD1 LEU 34 1HD1 LEU 34 52.396 64.322 -29.111 279 2HD1 LEU 34 2HD1 LEU 34 53.928 63.468 -28.927 280 3HD1 LEU 34 3HD1 LEU 34 53.829 64.887 -29.969 281 1HD2 LEU 34 1HD2 LEU 34 51.354 61.881 -30.061 282 2HD2 LEU 34 2HD2 LEU 34 52.535 61.027 -31.052 283 3HD2 LEU 34 3HD2 LEU 34 52.942 61.492 -29.400 284 1HB PRO 35 1HB PRO 35 47.769 66.613 -34.824 285 2HB PRO 35 2HB PRO 35 47.887 66.563 -33.055 286 1HG PRO 35 2HG PRO 35 49.947 67.563 -33.440 287 2HG PRO 35 1HG PRO 35 50.067 66.906 -35.082 288 1HD PRO 35 1HD PRO 35 51.512 65.364 -34.139 289 2HD PRO 35 2HD PRO 35 50.924 65.719 -32.500 290 H TRP 36 H TRP 36 49.774 65.059 -36.127 291 HA TRP 36 HA TRP 36 47.757 64.095 -38.026 292 1HB TRP 36 1HB TRP 36 50.533 64.443 -38.991 293 2HB TRP 36 2HB TRP 36 49.030 65.088 -39.642 294 HD1 TRP 36 HD1 TRP 36 48.078 66.665 -37.034 295 HE1 TRP 36 HE1 TRP 36 49.300 68.833 -36.366 296 HE3 TRP 36 HE3 TRP 36 52.498 65.978 -39.494 297 HZ2 TRP 36 HZ2 TRP 36 51.820 70.108 -36.816 298 HZ3 TRP 36 HZ3 TRP 36 54.292 67.683 -39.358 299 HH2 TRP 36 HH2 TRP 36 53.959 69.745 -38.022 300 H TRP 37 H TRP 37 47.669 62.033 -38.882 301 HA TRP 37 HA TRP 37 49.951 60.221 -38.182 302 1HB TRP 37 2HB TRP 37 48.374 58.392 -37.972 303 2HB TRP 37 1HB TRP 37 47.046 59.425 -38.502 304 HD1 TRP 37 HD1 TRP 37 46.803 61.740 -36.894 305 HE1 TRP 37 HE1 TRP 37 46.787 61.834 -34.314 306 HE3 TRP 37 HE3 TRP 37 49.075 57.299 -35.852 307 HZ2 TRP 37 HZ2 TRP 37 47.636 60.225 -32.101 308 HZ3 TRP 37 HZ3 TRP 37 49.462 56.600 -33.506 309 HH2 TRP 37 HH2 TRP 37 48.746 58.056 -31.631 310 H ARG 38 H ARG 38 48.964 58.057 -39.705 311 HA ARG 38 HA ARG 38 49.179 59.139 -42.488 312 1HB ARG 38 1HB ARG 38 51.268 58.050 -42.020 313 2HB ARG 38 2HB ARG 38 50.458 56.688 -41.247 314 1HG ARG 38 1HG ARG 38 51.260 56.234 -43.605 315 2HG ARG 38 2HG ARG 38 49.541 55.942 -43.344 316 1HD ARG 38 1HD ARG 38 48.960 57.535 -44.831 317 2HD ARG 38 2HD ARG 38 50.048 58.708 -44.091 318 HE ARG 38 HE ARG 38 51.257 58.334 -46.095 319 1HH1 ARG 38 1HH1 ARG 38 49.682 55.435 -45.252 320 2HH1 ARG 38 2HH1 ARG 38 50.845 54.403 -46.015 321 1HH2 ARG 38 1HH2 ARG 38 53.006 56.990 -46.825 322 2HH2 ARG 38 2HH2 ARG 38 52.725 55.282 -46.906 323 H ALA 39 H ALA 39 46.836 59.085 -42.528 324 HA ALA 39 HA ALA 39 45.734 56.305 -42.655 325 1HB ALA 39 3HB ALA 39 44.464 57.135 -40.928 326 2HB ALA 39 1HB ALA 39 44.752 58.808 -41.390 327 3HB ALA 39 2HB ALA 39 43.538 57.855 -42.241 328 H ARG 40 H ARG 40 43.782 56.161 -44.083 329 HA ARG 40 HA ARG 40 44.083 57.927 -46.480 330 1HB ARG 40 1HB ARG 40 44.594 55.634 -47.078 331 2HB ARG 40 2HB ARG 40 43.165 55.043 -46.231 332 1HG ARG 40 1HG ARG 40 42.312 57.040 -48.084 333 2HG ARG 40 2HG ARG 40 43.367 55.919 -48.946 334 1HD ARG 40 1HD ARG 40 41.036 55.075 -47.200 335 2HD ARG 40 2HD ARG 40 40.974 55.197 -48.959 336 HE ARG 40 HE ARG 40 43.077 53.452 -47.827 337 1HH1 ARG 40 1HH1 ARG 40 42.820 52.650 -50.403 338 2HH1 ARG 40 2HH1 ARG 40 41.487 51.545 -50.486 339 1HH2 ARG 40 1HH2 ARG 40 40.131 52.539 -47.454 340 2HH2 ARG 40 2HH2 ARG 40 39.966 51.483 -48.816 341 H ASP 41 H ASP 41 42.524 59.482 -46.126 342 HA ASP 41 HA ASP 41 40.198 59.251 -44.599 343 1HB ASP 41 2HB ASP 41 41.031 61.375 -45.549 344 2HB ASP 41 1HB ASP 41 39.310 61.149 -45.845 345 H LYS 42 H LYS 42 37.898 59.418 -45.609 346 HA LYS 42 HA LYS 42 37.374 56.882 -46.908 347 1HB LYS 42 1HB LYS 42 35.891 58.521 -45.325 348 2HB LYS 42 2HB LYS 42 35.236 58.932 -46.910 349 1HG LYS 42 1HG LYS 42 35.626 56.043 -46.227 350 2HG LYS 42 2HG LYS 42 34.244 56.895 -45.538 351 1HD LYS 42 1HD LYS 42 34.040 57.732 -48.094 352 2HD LYS 42 2HD LYS 42 34.802 56.165 -48.367 353 1HE LYS 42 1HE LYS 42 32.633 55.431 -48.295 354 2HE LYS 42 2HE LYS 42 32.931 55.441 -46.556 355 1HZ LYS 42 1HZ LYS 42 32.084 57.747 -46.521 356 2HZ LYS 42 2HZ LYS 42 31.663 57.591 -48.160 357 3HZ LYS 42 3HZ LYS 42 30.913 56.611 -46.996 358 H ASN 43 H ASN 43 38.394 59.841 -48.112 359 HA ASN 43 HA ASN 43 36.879 59.778 -50.614 360 1HB ASN 43 1HB ASN 43 37.966 61.839 -49.441 361 2HB ASN 43 2HB ASN 43 39.453 61.289 -50.215 362 2HD2 ASN 43 1HD2 ASN 43 37.009 63.437 -50.707 363 1HD2 ASN 43 2HD2 ASN 43 36.946 63.433 -52.403 364 H GLY 44 H GLY 44 39.115 57.729 -49.453 365 1HA GLY 44 1HA GLY 44 40.420 56.098 -50.530 366 2HA GLY 44 2HA GLY 44 39.805 56.708 -52.068 367 H GLN 45 H GLN 45 41.615 58.471 -49.544 368 HA GLN 45 HA GLN 45 43.876 58.720 -51.463 369 1HB GLN 45 1HB GLN 45 42.137 60.747 -51.259 370 2HB GLN 45 2HB GLN 45 43.112 61.107 -49.834 371 1HG GLN 45 1HG GLN 45 44.945 61.675 -51.067 372 2HG GLN 45 2HG GLN 45 44.640 60.432 -52.281 373 2HE2 GLN 45 1HE2 GLN 45 43.972 63.778 -51.391 374 1HE2 GLN 45 2HE2 GLN 45 43.179 64.196 -52.832 375 H GLU 46 H GLU 46 45.748 58.235 -50.437 376 HA GLU 46 HA GLU 46 45.733 57.931 -47.505 377 1HB GLU 46 2HB GLU 46 47.692 56.670 -47.778 378 2HB GLU 46 1HB GLU 46 48.151 57.525 -49.253 379 1HG GLU 46 1HG GLU 46 45.766 55.661 -48.995 380 2HG GLU 46 2HG GLU 46 46.314 56.456 -50.472 381 H GLY 47 H GLY 47 46.619 59.442 -46.137 382 1HA GLY 47 1HA GLY 47 48.733 61.234 -46.988 383 2HA GLY 47 2HA GLY 47 47.176 62.047 -46.903 384 H TYR 48 H TYR 48 48.263 63.324 -45.197 385 HA TYR 48 HA TYR 48 48.612 61.891 -42.628 386 1HB TYR 48 1HB TYR 48 49.345 64.640 -43.619 387 2HB TYR 48 2HB TYR 48 49.311 64.291 -41.891 388 HD1 TYR 48 HD1 TYR 48 50.077 61.502 -44.081 389 HD2 TYR 48 HD2 TYR 48 51.797 64.779 -41.899 390 HE1 TYR 48 HE1 TYR 48 52.312 60.441 -44.248 391 HE2 TYR 48 HE2 TYR 48 54.032 63.715 -42.066 392 HH TYR 48 HH TYR 48 54.432 60.468 -43.314 393 H ILE 49 H ILE 49 47.184 62.171 -40.917 394 HA ILE 49 HA ILE 49 44.950 64.096 -41.360 395 HB ILE 49 HB ILE 49 44.829 61.233 -40.518 396 1HG1 ILE 49 2HG1 ILE 49 43.640 62.855 -42.762 397 2HG1 ILE 49 1HG1 ILE 49 43.087 61.225 -42.366 398 1HG2 ILE 49 1HG2 ILE 49 43.046 63.476 -39.841 399 2HG2 ILE 49 2HG2 ILE 49 42.229 62.073 -40.530 400 3HG2 ILE 49 3HG2 ILE 49 43.203 61.898 -39.070 401 1HD1 ILE 49 1HD1 ILE 49 45.886 61.045 -42.423 402 2HD1 ILE 49 2HD1 ILE 49 44.773 60.448 -43.651 403 3HD1 ILE 49 3HD1 ILE 49 45.473 62.057 -43.806 404 1HB PRO 50 1HB PRO 50 45.074 67.546 -37.146 405 2HB PRO 50 2HB PRO 50 46.628 67.312 -37.961 406 1HG PRO 50 2HG PRO 50 45.504 68.016 -39.849 407 2HG PRO 50 1HG PRO 50 43.919 67.641 -39.153 408 1HD PRO 50 1HD PRO 50 43.926 65.733 -40.429 409 2HD PRO 50 2HD PRO 50 45.630 65.970 -40.871 410 H SER 51 H SER 51 45.365 64.423 -35.369 411 HA SER 51 HA SER 51 42.531 63.807 -35.386 412 1HB SER 51 1HB SER 51 44.613 63.757 -33.193 413 2HB SER 51 2HB SER 51 42.949 63.226 -32.965 414 HG SER 51 HG SER 51 44.606 62.242 -35.040 415 H ASN 52 H ASN 52 44.400 66.577 -34.483 416 HA ASN 52 HA ASN 52 42.735 67.706 -32.479 417 1HB ASN 52 1HB ASN 52 43.609 69.937 -33.493 418 2HB ASN 52 2HB ASN 52 44.784 68.812 -32.808 419 2HD2 ASN 52 1HD2 ASN 52 46.557 68.526 -34.153 420 1HD2 ASN 52 2HD2 ASN 52 46.520 68.586 -35.849 421 H TYR 53 H TYR 53 42.148 67.236 -35.846 422 HA TYR 53 HA TYR 53 39.700 68.949 -35.611 423 1HB TYR 53 1HB TYR 53 41.176 68.335 -38.186 424 2HB TYR 53 2HB TYR 53 39.875 69.502 -37.947 425 HD1 TYR 53 HD1 TYR 53 40.649 70.812 -35.432 426 HD2 TYR 53 HD2 TYR 53 43.068 69.608 -38.771 427 HE1 TYR 53 HE1 TYR 53 42.316 72.553 -34.853 428 HE2 TYR 53 HE2 TYR 53 44.736 71.351 -38.191 429 HH TYR 53 HH TYR 53 45.251 73.016 -36.827 430 H VAL 54 H VAL 54 39.941 66.176 -34.885 431 HA VAL 54 HA VAL 54 37.777 65.035 -36.535 432 HB VAL 54 HB VAL 54 38.955 63.289 -37.520 433 1HG1 VAL 54 1HG1 VAL 54 41.059 65.414 -37.156 434 2HG1 VAL 54 2HG1 VAL 54 41.163 64.093 -38.319 435 3HG1 VAL 54 3HG1 VAL 54 39.890 65.303 -38.469 436 1HG2 VAL 54 1HG2 VAL 54 40.585 63.440 -35.042 437 2HG2 VAL 54 2HG2 VAL 54 39.952 62.027 -35.884 438 3HG2 VAL 54 3HG2 VAL 54 41.404 62.829 -36.479 439 H THR 55 H THR 55 38.191 62.380 -35.546 440 HA THR 55 HA THR 55 38.498 62.528 -32.665 441 HB THR 55 HB THR 55 36.320 63.621 -33.071 442 HG1 THR 55 HG1 THR 55 36.779 61.429 -31.514 443 1HG2 THR 55 1HG2 THR 55 35.983 61.641 -34.961 444 2HG2 THR 55 2HG2 THR 55 34.885 61.148 -33.672 445 3HG2 THR 55 3HG2 THR 55 34.732 62.747 -34.398 446 H GLU 56 H GLU 56 36.234 60.234 -32.845 447 HA GLU 56 HA GLU 56 36.550 57.903 -32.688 448 1HB GLU 56 1HB GLU 56 37.434 58.503 -35.512 449 2HB GLU 56 2HB GLU 56 37.025 56.900 -34.916 450 1HG GLU 56 1HG GLU 56 35.086 59.178 -34.598 451 2HG GLU 56 2HG GLU 56 35.178 58.293 -36.121 452 H ALA 57 H ALA 57 38.889 56.945 -34.712 453 HA ALA 57 HA ALA 57 40.739 56.277 -32.684 454 1HB ALA 57 1HB ALA 57 40.864 56.457 -35.669 455 2HB ALA 57 3HB ALA 57 41.069 55.049 -34.627 456 3HB ALA 57 2HB ALA 57 42.367 56.236 -34.776 457 H GLU 58 H GLU 58 43.249 57.159 -33.411 458 HA GLU 58 HA GLU 58 43.584 59.919 -33.942 459 1HB GLU 58 2HB GLU 58 42.225 60.257 -31.894 460 2HB GLU 58 1HB GLU 58 43.874 60.844 -31.679 461 1HG GLU 58 1HG GLU 58 43.765 58.057 -30.973 462 2HG GLU 58 2HG GLU 58 44.178 59.434 -29.951 No H/Q in entry = 462 Start of MODEL 10 1 H1 LEU 1 H1 LEU 1 39.849 49.363 -37.436 2 H2 LEU 1 H2 LEU 1 41.376 49.441 -38.178 3 H3 LEU 1 H3 LEU 1 40.707 47.936 -37.760 4 HA LEU 1 HA LEU 1 40.885 48.425 -35.431 5 1HB LEU 1 2HB LEU 1 43.208 48.176 -35.255 6 2HB LEU 1 1HB LEU 1 43.524 49.266 -36.604 7 HG LEU 1 HG LEU 1 42.532 47.588 -38.153 8 1HD1 LEU 1 1HD1 LEU 1 45.027 47.522 -36.883 9 2HD1 LEU 1 2HD1 LEU 1 44.470 45.850 -36.854 10 3HD1 LEU 1 3HD1 LEU 1 44.597 46.711 -38.388 11 1HD2 LEU 1 1HD2 LEU 1 42.074 46.199 -35.541 12 2HD2 LEU 1 2HD2 LEU 1 41.040 46.268 -36.967 13 3HD2 LEU 1 3HD2 LEU 1 42.450 45.208 -36.950 14 H LYS 2 H LYS 2 42.835 50.963 -37.033 15 HA LYS 2 HA LYS 2 41.795 52.871 -34.978 16 1HB LYS 2 1HB LYS 2 44.360 52.976 -36.599 17 2HB LYS 2 2HB LYS 2 43.861 54.162 -35.392 18 1HG LYS 2 2HG LYS 2 43.629 51.754 -34.038 19 2HG LYS 2 1HG LYS 2 44.976 52.884 -33.895 20 1HD LYS 2 1HD LYS 2 44.822 50.670 -35.965 21 2HD LYS 2 2HD LYS 2 46.204 51.716 -35.636 22 1HE LYS 2 1HE LYS 2 46.565 50.740 -33.493 23 2HE LYS 2 2HE LYS 2 44.992 49.943 -33.509 24 1HZ LYS 2 1HZ LYS 2 47.245 49.348 -35.351 25 2HZ LYS 2 2HZ LYS 2 46.784 48.400 -34.022 26 3HZ LYS 2 3HZ LYS 2 45.733 48.573 -35.345 27 H LYS 3 H LYS 3 40.890 54.822 -35.687 28 HA LYS 3 HA LYS 3 41.123 55.657 -38.470 29 1HB LYS 3 2HB LYS 3 39.408 53.788 -38.466 30 2HB LYS 3 1HB LYS 3 38.858 55.315 -39.144 31 1HG LYS 3 1HG LYS 3 38.425 54.660 -36.233 32 2HG LYS 3 2HG LYS 3 37.556 55.815 -37.243 33 1HD LYS 3 1HD LYS 3 37.259 53.311 -38.509 34 2HD LYS 3 2HD LYS 3 36.981 53.022 -36.791 35 1HE LYS 3 1HE LYS 3 35.683 55.320 -38.265 36 2HE LYS 3 2HE LYS 3 34.935 53.727 -38.164 37 1HZ LYS 3 1HZ LYS 3 35.612 54.168 -35.613 38 2HZ LYS 3 2HZ LYS 3 35.257 55.750 -36.122 39 3HZ LYS 3 3HZ LYS 3 34.087 54.531 -36.268 40 H VAL 4 H VAL 4 41.564 57.767 -37.906 41 HA VAL 4 HA VAL 4 40.166 59.070 -35.693 42 HB VAL 4 HB VAL 4 41.667 60.830 -35.998 43 1HG1 VAL 4 1HG1 VAL 4 42.739 58.264 -36.533 44 2HG1 VAL 4 2HG1 VAL 4 43.546 59.386 -37.621 45 3HG1 VAL 4 3HG1 VAL 4 43.578 59.665 -35.881 46 1HG2 VAL 4 1HG2 VAL 4 41.386 60.230 -38.939 47 2HG2 VAL 4 2HG2 VAL 4 41.063 61.738 -38.087 48 3HG2 VAL 4 3HG2 VAL 4 42.726 61.218 -38.357 49 H VAL 5 H VAL 5 38.340 60.382 -35.864 50 HA VAL 5 HA VAL 5 37.029 60.469 -38.487 51 HB VAL 5 HB VAL 5 36.180 60.387 -35.761 52 1HG1 VAL 5 1HG1 VAL 5 35.892 62.847 -35.990 53 2HG1 VAL 5 2HG1 VAL 5 34.905 62.580 -37.422 54 3HG1 VAL 5 3HG1 VAL 5 34.344 62.018 -35.848 55 1HG2 VAL 5 1HG2 VAL 5 35.506 58.954 -37.661 56 2HG2 VAL 5 2HG2 VAL 5 34.123 59.655 -36.820 57 3HG2 VAL 5 3HG2 VAL 5 34.654 60.329 -38.362 58 H ALA 6 H ALA 6 37.171 62.235 -39.804 59 HA ALA 6 HA ALA 6 38.649 64.552 -39.249 60 1HB ALA 6 1HB ALA 6 37.088 63.647 -41.373 61 2HB ALA 6 3HB ALA 6 37.985 65.163 -41.328 62 3HB ALA 6 2HB ALA 6 36.282 65.133 -40.875 63 H LEU 7 H LEU 7 37.494 66.871 -39.167 64 HA LEU 7 HA LEU 7 35.113 66.860 -37.422 65 1HB LEU 7 1HB LEU 7 37.631 66.829 -36.272 66 2HB LEU 7 2HB LEU 7 37.238 68.542 -36.309 67 HG LEU 7 HG LEU 7 36.520 67.299 -34.229 68 1HD1 LEU 7 1HD1 LEU 7 35.421 69.421 -35.447 69 2HD1 LEU 7 2HD1 LEU 7 34.040 68.326 -35.528 70 3HD1 LEU 7 3HD1 LEU 7 34.745 68.743 -33.965 71 1HD2 LEU 7 1HD2 LEU 7 35.724 65.300 -35.704 72 2HD2 LEU 7 2HD2 LEU 7 34.768 65.741 -34.290 73 3HD2 LEU 7 3HD2 LEU 7 34.248 66.246 -35.897 74 H TYR 8 H TYR 8 37.681 69.281 -37.985 75 HA TYR 8 HA TYR 8 35.555 71.137 -38.919 76 1HB TYR 8 2HB TYR 8 37.082 72.918 -38.359 77 2HB TYR 8 1HB TYR 8 38.414 71.778 -38.158 78 HD1 TYR 8 HD1 TYR 8 34.909 72.315 -36.912 79 HD2 TYR 8 HD2 TYR 8 38.916 71.071 -35.992 80 HE1 TYR 8 HE1 TYR 8 34.261 71.984 -34.543 81 HE2 TYR 8 HE2 TYR 8 38.267 70.738 -33.621 82 HH TYR 8 HH TYR 8 35.627 70.231 -32.494 83 H ASP 9 H ASP 9 37.148 68.992 -40.546 84 HA ASP 9 HA ASP 9 37.768 68.870 -42.812 85 1HB ASP 9 1HB ASP 9 36.027 70.971 -42.729 86 2HB ASP 9 2HB ASP 9 37.481 71.763 -43.333 87 H TYR 10 H TYR 10 39.583 69.451 -44.192 88 HA TYR 10 HA TYR 10 41.527 71.430 -43.275 89 1HB TYR 10 1HB TYR 10 41.710 69.045 -41.985 90 2HB TYR 10 2HB TYR 10 42.712 68.712 -43.398 91 HD1 TYR 10 HD1 TYR 10 42.120 71.601 -41.067 92 HD2 TYR 10 HD2 TYR 10 44.976 69.144 -43.128 93 HE1 TYR 10 HE1 TYR 10 43.971 72.910 -40.062 94 HE2 TYR 10 HE2 TYR 10 46.828 70.453 -42.124 95 HH TYR 10 HH TYR 10 46.689 72.174 -39.575 96 H MET 11 H MET 11 43.716 70.789 -44.687 97 HA MET 11 HA MET 11 43.049 69.632 -47.275 98 1HB MET 11 1HB MET 11 43.378 72.607 -46.909 99 2HB MET 11 2HB MET 11 43.742 71.828 -48.449 100 1HG MET 11 1HG MET 11 41.429 70.810 -48.379 101 2HG MET 11 2HG MET 11 41.093 71.834 -46.983 102 1HE MET 11 1HE MET 11 42.059 71.311 -50.363 103 2HE MET 11 2HE MET 11 40.606 72.056 -51.023 104 3HE MET 11 3HE MET 11 42.175 72.853 -51.206 105 1HB PRO 12 1HB PRO 12 47.822 68.848 -50.030 106 2HB PRO 12 2HB PRO 12 47.059 67.574 -49.064 107 1HG PRO 12 2HG PRO 12 45.262 67.872 -50.485 108 2HG PRO 12 1HG PRO 12 45.800 69.488 -50.972 109 1HD PRO 12 1HD PRO 12 44.213 70.325 -49.536 110 2HD PRO 12 2HD PRO 12 43.922 68.722 -48.830 111 H MET 13 H MET 13 47.196 71.618 -46.723 112 HA MET 13 HA MET 13 48.647 73.142 -48.846 113 1HB MET 13 1HB MET 13 47.896 75.169 -47.632 114 2HB MET 13 2HB MET 13 46.529 74.170 -48.128 115 1HG MET 13 1HG MET 13 46.170 73.359 -45.943 116 2HG MET 13 2HG MET 13 47.783 73.833 -45.408 117 1HE MET 13 1HE MET 13 44.441 74.205 -45.756 118 2HE MET 13 2HE MET 13 44.159 75.335 -44.433 119 3HE MET 13 3HE MET 13 43.982 75.879 -46.100 120 H ASN 14 H ASN 14 49.395 71.293 -46.312 121 HA ASN 14 HA ASN 14 51.502 73.154 -45.290 122 1HB ASN 14 1HB ASN 14 49.665 71.470 -43.921 123 2HB ASN 14 2HB ASN 14 51.268 70.763 -43.711 124 2HD2 ASN 14 1HD2 ASN 14 49.194 73.360 -42.725 125 1HD2 ASN 14 2HD2 ASN 14 50.331 74.189 -41.776 126 H ALA 15 H ALA 15 50.970 69.666 -45.928 127 HA ALA 15 HA ALA 15 53.609 69.574 -47.267 128 1HB ALA 15 1HB ALA 15 53.266 68.720 -44.596 129 2HB ALA 15 2HB ALA 15 53.337 67.252 -45.570 130 3HB ALA 15 3HB ALA 15 54.656 68.420 -45.640 131 H ASN 16 H ASN 16 51.548 66.961 -46.021 132 HA ASN 16 HA ASN 16 50.449 66.462 -48.708 133 1HB ASN 16 1HB ASN 16 52.711 65.318 -48.622 134 2HB ASN 16 2HB ASN 16 52.074 64.313 -47.320 135 2HD2 ASN 16 1HD2 ASN 16 52.144 62.350 -48.628 136 1HD2 ASN 16 2HD2 ASN 16 51.067 62.105 -49.916 137 H ASP 17 H ASP 17 49.330 67.172 -46.136 138 HA ASP 17 HA ASP 17 48.242 64.822 -44.854 139 1HB ASP 17 1HB ASP 17 47.653 67.769 -44.750 140 2HB ASP 17 2HB ASP 17 46.549 66.627 -43.982 141 H LEU 18 H LEU 18 45.917 64.209 -44.880 142 HA LEU 18 HA LEU 18 44.871 64.241 -47.629 143 1HB LEU 18 1HB LEU 18 44.368 62.790 -45.098 144 2HB LEU 18 2HB LEU 18 42.933 63.077 -46.066 145 HG LEU 18 HG LEU 18 43.483 61.404 -47.468 146 1HD1 LEU 18 1HD1 LEU 18 46.099 62.863 -47.673 147 2HD1 LEU 18 2HD1 LEU 18 45.938 61.253 -48.369 148 3HD1 LEU 18 3HD1 LEU 18 44.894 62.560 -48.922 149 1HD2 LEU 18 1HD2 LEU 18 44.248 60.448 -45.309 150 2HD2 LEU 18 2HD2 LEU 18 45.135 59.793 -46.680 151 3HD2 LEU 18 3HD2 LEU 18 45.880 61.018 -45.661 152 H GLN 19 H GLN 19 43.001 65.323 -48.306 153 HA GLN 19 HA GLN 19 42.248 67.696 -46.825 154 1HB GLN 19 1HB GLN 19 42.070 67.717 -49.247 155 2HB GLN 19 2HB GLN 19 40.998 66.317 -49.223 156 1HG GLN 19 1HG GLN 19 39.844 68.244 -47.495 157 2HG GLN 19 2HG GLN 19 40.319 69.103 -48.961 158 2HE2 GLN 19 1HE2 GLN 19 39.682 67.820 -51.083 159 1HE2 GLN 19 2HE2 GLN 19 38.146 67.097 -51.072 160 H LEU 20 H LEU 20 40.802 67.749 -45.139 161 HA LEU 20 HA LEU 20 39.326 65.299 -44.494 162 1HB LEU 20 1HB LEU 20 39.370 67.966 -43.081 163 2HB LEU 20 2HB LEU 20 38.671 66.482 -42.452 164 HG LEU 20 HG LEU 20 41.503 67.302 -42.635 165 1HD1 LEU 20 1HD1 LEU 20 39.749 65.577 -40.909 166 2HD1 LEU 20 2HD1 LEU 20 41.504 65.514 -40.747 167 3HD1 LEU 20 3HD1 LEU 20 40.646 67.031 -40.471 168 1HD2 LEU 20 1HD2 LEU 20 40.599 64.497 -43.346 169 2HD2 LEU 20 2HD2 LEU 20 41.649 65.551 -44.287 170 3HD2 LEU 20 3HD2 LEU 20 42.224 64.865 -42.770 171 H ARG 21 H ARG 21 36.988 65.427 -43.908 172 HA ARG 21 HA ARG 21 35.482 67.494 -45.415 173 1HB ARG 21 1HB ARG 21 35.827 65.009 -46.499 174 2HB ARG 21 2HB ARG 21 34.353 64.763 -45.561 175 1HG ARG 21 2HG ARG 21 34.044 67.267 -46.817 176 2HG ARG 21 1HG ARG 21 33.204 65.768 -47.213 177 1HD ARG 21 1HD ARG 21 35.981 66.149 -48.263 178 2HD ARG 21 2HD ARG 21 34.620 65.287 -48.981 179 HE ARG 21 HE ARG 21 34.372 68.228 -48.811 180 1HH1 ARG 21 1HH1 ARG 21 36.002 65.912 -50.646 181 2HH1 ARG 21 2HH1 ARG 21 35.362 66.425 -52.171 182 1HH2 ARG 21 1HH2 ARG 21 33.128 68.680 -50.775 183 2HH2 ARG 21 2HH2 ARG 21 33.736 67.992 -52.245 184 H LYS 22 H LYS 22 36.076 66.878 -42.596 185 HA LYS 22 HA LYS 22 34.979 66.528 -40.535 186 1HB LYS 22 2HB LYS 22 33.342 68.199 -40.169 187 2HB LYS 22 1HB LYS 22 32.787 68.139 -41.841 188 1HG LYS 22 1HG LYS 22 35.190 69.483 -40.682 189 2HG LYS 22 2HG LYS 22 35.316 68.842 -42.320 190 1HD LYS 22 1HD LYS 22 34.193 70.629 -43.096 191 2HD LYS 22 2HD LYS 22 32.801 70.163 -42.117 192 1HE LYS 22 1HE LYS 22 33.791 71.358 -40.178 193 2HE LYS 22 2HE LYS 22 35.135 71.869 -41.200 194 1HZ LYS 22 1HZ LYS 22 33.254 72.745 -42.716 195 2HZ LYS 22 2HZ LYS 22 32.310 72.682 -41.305 196 3HZ LYS 22 3HZ LYS 22 33.706 73.645 -41.348 197 H GLY 23 H GLY 23 34.334 64.386 -40.326 198 1HA GLY 23 1HA GLY 23 32.067 63.305 -39.787 199 2HA GLY 23 2HA GLY 23 31.661 63.676 -41.465 200 H ASP 24 H ASP 24 33.279 62.769 -43.109 201 HA ASP 24 HA ASP 24 33.396 59.967 -42.959 202 1HB ASP 24 2HB ASP 24 34.774 60.038 -44.885 203 2HB ASP 24 1HB ASP 24 35.487 61.583 -44.419 204 H GLU 25 H GLU 25 34.662 58.613 -41.779 205 HA GLU 25 HA GLU 25 36.769 59.751 -40.086 206 1HB GLU 25 2HB GLU 25 36.688 57.752 -38.900 207 2HB GLU 25 1HB GLU 25 36.323 56.795 -40.336 208 1HG GLU 25 2HG GLU 25 34.251 58.778 -39.723 209 2HG GLU 25 1HG GLU 25 34.479 57.601 -38.430 210 H TYR 26 H TYR 26 38.935 58.597 -40.010 211 HA TYR 26 HA TYR 26 39.796 57.924 -42.793 212 1HB TYR 26 2HB TYR 26 41.877 59.068 -42.367 213 2HB TYR 26 1HB TYR 26 41.455 59.303 -40.668 214 HD1 TYR 26 HD1 TYR 26 39.076 59.586 -43.484 215 HD2 TYR 26 HD2 TYR 26 41.488 61.719 -40.645 216 HE1 TYR 26 HE1 TYR 26 37.918 61.689 -44.087 217 HE2 TYR 26 HE2 TYR 26 40.327 63.824 -41.247 218 HH TYR 26 HH TYR 26 38.109 63.974 -43.962 219 H PHE 27 H PHE 27 40.155 55.758 -42.787 220 HA PHE 27 HA PHE 27 40.868 54.192 -40.505 221 1HB PHE 27 1HB PHE 27 41.088 53.742 -43.488 222 2HB PHE 27 2HB PHE 27 41.711 52.555 -42.342 223 HD1 PHE 27 HD1 PHE 27 38.632 54.530 -43.142 224 HD2 PHE 27 HD2 PHE 27 40.269 50.966 -41.390 225 HE1 PHE 27 HE1 PHE 27 36.341 53.638 -42.817 226 HE2 PHE 27 HE2 PHE 27 37.979 50.074 -41.066 227 HZ PHE 27 HZ PHE 27 36.014 51.410 -41.779 228 H ILE 28 H ILE 28 42.702 54.502 -39.394 229 HA ILE 28 HA ILE 28 44.992 55.781 -40.638 230 HB ILE 28 HB ILE 28 44.857 54.542 -37.893 231 1HG1 ILE 28 2HG1 ILE 28 44.236 56.984 -37.274 232 2HG1 ILE 28 1HG1 ILE 28 42.961 55.970 -37.947 233 1HG2 ILE 28 1HG2 ILE 28 46.815 56.022 -39.395 234 2HG2 ILE 28 2HG2 ILE 28 46.289 56.987 -38.016 235 3HG2 ILE 28 3HG2 ILE 28 46.945 55.369 -37.762 236 1HD1 ILE 28 1HD1 ILE 28 43.480 56.926 -40.215 237 2HD1 ILE 28 2HD1 ILE 28 42.909 58.135 -39.072 238 3HD1 ILE 28 3HD1 ILE 28 44.626 58.022 -39.443 239 H LEU 29 H LEU 29 46.281 54.699 -41.903 240 HA LEU 29 HA LEU 29 46.717 51.815 -41.608 241 1HB LEU 29 1HB LEU 29 47.821 51.988 -43.723 242 2HB LEU 29 2HB LEU 29 46.449 53.090 -43.815 243 HG LEU 29 HG LEU 29 48.658 54.522 -42.705 244 1HD1 LEU 29 1HD1 LEU 29 49.267 52.799 -45.098 245 2HD1 LEU 29 2HD1 LEU 29 50.049 54.368 -44.901 246 3HD1 LEU 29 3HD1 LEU 29 50.268 53.113 -43.681 247 1HD2 LEU 29 1HD2 LEU 29 46.551 54.958 -44.400 248 2HD2 LEU 29 2HD2 LEU 29 47.882 56.092 -44.170 249 3HD2 LEU 29 3HD2 LEU 29 47.906 54.969 -45.528 250 H GLU 30 H GLU 30 47.905 54.508 -40.117 251 HA GLU 30 HA GLU 30 50.075 53.193 -38.846 252 1HB GLU 30 1HB GLU 30 50.708 54.314 -41.440 253 2HB GLU 30 2HB GLU 30 51.605 55.157 -40.177 254 1HG GLU 30 1HG GLU 30 51.460 52.142 -40.266 255 2HG GLU 30 2HG GLU 30 52.689 53.035 -41.162 256 H GLU 31 H GLU 31 50.986 54.581 -37.207 257 HA GLU 31 HA GLU 31 49.744 57.300 -37.077 258 1HB GLU 31 2HB GLU 31 48.626 55.596 -35.571 259 2HB GLU 31 1HB GLU 31 49.285 57.001 -34.731 260 1HG GLU 31 1HG GLU 31 50.544 54.251 -34.966 261 2HG GLU 31 2HG GLU 31 51.373 55.656 -34.294 262 H SER 32 H SER 32 50.940 58.174 -34.744 263 HA SER 32 HA SER 32 53.680 57.627 -34.369 264 1HB SER 32 1HB SER 32 54.333 58.263 -36.514 265 2HB SER 32 2HB SER 32 53.061 59.473 -36.653 266 HG SER 32 HG SER 32 54.881 60.618 -36.280 267 H ASN 33 H ASN 33 54.675 59.209 -32.943 268 HA ASN 33 HA ASN 33 53.081 60.378 -31.018 269 1HB ASN 33 1HB ASN 33 55.545 60.243 -30.854 270 2HB ASN 33 2HB ASN 33 55.691 61.526 -32.056 271 2HD2 ASN 33 1HD2 ASN 33 53.310 61.328 -29.378 272 1HD2 ASN 33 2HD2 ASN 33 53.836 62.743 -28.599 273 H LEU 34 H LEU 34 54.268 62.004 -33.972 274 HA LEU 34 HA LEU 34 53.261 64.559 -33.671 275 1HB LEU 34 2HB LEU 34 52.931 64.600 -36.116 276 2HB LEU 34 1HB LEU 34 52.973 62.840 -36.157 277 HG LEU 34 HG LEU 34 55.276 62.830 -35.376 278 1HD1 LEU 34 1HD1 LEU 34 54.526 63.544 -37.852 279 2HD1 LEU 34 2HD1 LEU 34 55.393 65.014 -37.406 280 3HD1 LEU 34 3HD1 LEU 34 56.223 63.459 -37.380 281 1HD2 LEU 34 1HD2 LEU 34 54.663 65.713 -34.873 282 2HD2 LEU 34 2HD2 LEU 34 55.597 64.579 -33.897 283 3HD2 LEU 34 3HD2 LEU 34 56.313 65.296 -35.341 284 1HB PRO 35 1HB PRO 35 48.109 66.532 -34.636 285 2HB PRO 35 2HB PRO 35 48.827 66.523 -33.015 286 1HG PRO 35 2HG PRO 35 50.447 67.862 -33.978 287 2HG PRO 35 1HG PRO 35 50.067 67.304 -35.615 288 1HD PRO 35 1HD PRO 35 51.932 65.973 -35.447 289 2HD PRO 35 2HD PRO 35 52.059 66.251 -33.697 290 H TRP 36 H TRP 36 50.161 64.870 -36.583 291 HA TRP 36 HA TRP 36 47.698 63.811 -37.819 292 1HB TRP 36 1HB TRP 36 50.064 64.134 -39.548 293 2HB TRP 36 2HB TRP 36 48.434 64.767 -39.753 294 HD1 TRP 36 HD1 TRP 36 47.981 66.722 -37.540 295 HE1 TRP 36 HE1 TRP 36 49.455 68.804 -37.169 296 HE3 TRP 36 HE3 TRP 36 52.211 65.257 -39.996 297 HZ2 TRP 36 HZ2 TRP 36 52.083 69.725 -37.826 298 HZ3 TRP 36 HZ3 TRP 36 54.184 66.752 -40.107 299 HH2 TRP 36 HH2 TRP 36 54.125 68.983 -39.026 300 H TRP 37 H TRP 37 47.562 61.728 -38.754 301 HA TRP 37 HA TRP 37 49.935 59.983 -38.210 302 1HB TRP 37 1HB TRP 37 46.969 59.412 -38.119 303 2HB TRP 37 2HB TRP 37 48.158 58.116 -38.237 304 HD1 TRP 37 HD1 TRP 37 49.947 60.528 -36.357 305 HE1 TRP 37 HE1 TRP 37 49.725 60.178 -33.814 306 HE3 TRP 37 HE3 TRP 37 45.906 57.410 -36.246 307 HZ2 TRP 37 HZ2 TRP 37 48.055 58.761 -31.973 308 HZ3 TRP 37 HZ3 TRP 37 45.021 56.573 -34.088 309 HH2 TRP 37 HH2 TRP 37 46.090 57.245 -31.953 310 H ARG 38 H ARG 38 49.211 57.782 -39.711 311 HA ARG 38 HA ARG 38 49.253 58.883 -42.486 312 1HB ARG 38 1HB ARG 38 51.276 57.548 -41.562 313 2HB ARG 38 2HB ARG 38 50.224 56.137 -41.679 314 1HG ARG 38 1HG ARG 38 49.858 56.602 -44.074 315 2HG ARG 38 2HG ARG 38 50.908 58.014 -43.960 316 1HD ARG 38 1HD ARG 38 52.219 55.673 -42.862 317 2HD ARG 38 2HD ARG 38 51.700 55.378 -44.521 318 HE ARG 38 HE ARG 38 52.952 57.938 -44.407 319 1HH1 ARG 38 1HH1 ARG 38 53.428 55.165 -45.942 320 2HH1 ARG 38 2HH1 ARG 38 55.138 55.034 -45.701 321 1HH2 ARG 38 1HH2 ARG 38 55.257 57.526 -43.293 322 2HH2 ARG 38 2HH2 ARG 38 56.174 56.370 -44.201 323 H ALA 39 H ALA 39 47.148 58.738 -43.155 324 HA ALA 39 HA ALA 39 45.881 56.049 -43.041 325 1HB ALA 39 1HB ALA 39 45.205 57.564 -41.089 326 2HB ALA 39 3HB ALA 39 43.878 56.934 -42.059 327 3HB ALA 39 2HB ALA 39 44.421 58.594 -42.280 328 H ARG 40 H ARG 40 43.905 56.007 -44.432 329 HA ARG 40 HA ARG 40 44.219 57.849 -46.768 330 1HB ARG 40 1HB ARG 40 44.602 55.535 -47.427 331 2HB ARG 40 2HB ARG 40 43.138 55.012 -46.595 332 1HG ARG 40 1HG ARG 40 41.725 56.071 -48.167 333 2HG ARG 40 2HG ARG 40 43.034 57.070 -48.798 334 1HD ARG 40 1HD ARG 40 42.249 54.954 -50.150 335 2HD ARG 40 2HD ARG 40 43.970 55.314 -50.015 336 HE ARG 40 HE ARG 40 43.994 53.629 -48.111 337 1HH1 ARG 40 1HH1 ARG 40 41.420 52.767 -47.518 338 2HH1 ARG 40 2HH1 ARG 40 41.061 51.490 -48.632 339 1HH2 ARG 40 1HH2 ARG 40 43.583 52.357 -50.849 340 2HH2 ARG 40 2HH2 ARG 40 42.285 51.258 -50.518 341 H ASP 41 H ASP 41 42.799 59.477 -46.131 342 HA ASP 41 HA ASP 41 40.505 59.311 -44.612 343 1HB ASP 41 1HB ASP 41 39.594 61.224 -46.009 344 2HB ASP 41 2HB ASP 41 41.209 61.465 -45.347 345 H LYS 42 H LYS 42 38.164 59.469 -45.393 346 HA LYS 42 HA LYS 42 37.453 57.044 -46.726 347 1HB LYS 42 1HB LYS 42 36.093 58.672 -45.119 348 2HB LYS 42 2HB LYS 42 35.530 59.332 -46.655 349 1HG LYS 42 1HG LYS 42 35.314 56.652 -47.132 350 2HG LYS 42 2HG LYS 42 34.954 56.717 -45.407 351 1HD LYS 42 1HD LYS 42 33.173 58.293 -45.753 352 2HD LYS 42 2HD LYS 42 33.635 58.531 -47.438 353 1HE LYS 42 1HE LYS 42 33.096 55.724 -46.694 354 2HE LYS 42 2HE LYS 42 31.693 56.789 -46.618 355 1HZ LYS 42 1HZ LYS 42 33.516 56.583 -48.950 356 2HZ LYS 42 2HZ LYS 42 32.031 55.768 -48.819 357 3HZ LYS 42 3HZ LYS 42 32.071 57.465 -48.868 358 H ASN 43 H ASN 43 38.562 59.973 -48.012 359 HA ASN 43 HA ASN 43 37.017 59.874 -50.491 360 1HB ASN 43 1HB ASN 43 38.847 61.699 -49.220 361 2HB ASN 43 2HB ASN 43 39.392 61.378 -50.868 362 2HD2 ASN 43 1HD2 ASN 43 37.973 62.012 -52.639 363 1HD2 ASN 43 2HD2 ASN 43 36.643 63.036 -52.388 364 H GLY 44 H GLY 44 39.224 57.804 -49.319 365 1HA GLY 44 1HA GLY 44 40.507 56.143 -50.368 366 2HA GLY 44 2HA GLY 44 39.853 56.704 -51.909 367 H GLN 45 H GLN 45 41.741 58.526 -49.492 368 HA GLN 45 HA GLN 45 43.933 58.742 -51.497 369 1HB GLN 45 1HB GLN 45 42.177 60.782 -51.091 370 2HB GLN 45 2HB GLN 45 43.367 61.137 -49.839 371 1HG GLN 45 1HG GLN 45 45.117 60.743 -51.737 372 2HG GLN 45 2HG GLN 45 43.749 61.006 -52.820 373 2HE2 GLN 45 1HE2 GLN 45 46.192 62.631 -51.136 374 1HE2 GLN 45 2HE2 GLN 45 45.513 64.186 -51.144 375 H GLU 46 H GLU 46 45.760 58.038 -50.520 376 HA GLU 46 HA GLU 46 45.878 57.791 -47.601 377 1HB GLU 46 2HB GLU 46 47.841 56.524 -47.953 378 2HB GLU 46 1HB GLU 46 48.179 57.312 -49.496 379 1HG GLU 46 1HG GLU 46 45.825 55.476 -48.941 380 2HG GLU 46 2HG GLU 46 46.202 56.231 -50.489 381 H GLY 47 H GLY 47 46.856 59.256 -46.251 382 1HA GLY 47 1HA GLY 47 49.014 60.974 -47.109 383 2HA GLY 47 2HA GLY 47 47.489 61.852 -47.043 384 H TYR 48 H TYR 48 48.674 63.080 -45.332 385 HA TYR 48 HA TYR 48 48.767 61.641 -42.728 386 1HB TYR 48 1HB TYR 48 50.293 63.830 -43.917 387 2HB TYR 48 2HB TYR 48 49.691 64.237 -42.311 388 HD1 TYR 48 HD1 TYR 48 50.052 62.488 -40.430 389 HD2 TYR 48 HD2 TYR 48 52.186 62.455 -44.158 390 HE1 TYR 48 HE1 TYR 48 51.815 61.074 -39.410 391 HE2 TYR 48 HE2 TYR 48 53.947 61.041 -43.138 392 HH TYR 48 HH TYR 48 54.670 60.756 -40.317 393 H ILE 49 H ILE 49 46.913 61.833 -41.547 394 HA ILE 49 HA ILE 49 45.259 64.258 -42.012 395 HB ILE 49 HB ILE 49 43.707 62.618 -40.460 396 1HG1 ILE 49 1HG1 ILE 49 45.504 60.840 -40.724 397 2HG1 ILE 49 2HG1 ILE 49 43.898 60.360 -41.277 398 1HG2 ILE 49 1HG2 ILE 49 43.807 63.576 -43.148 399 2HG2 ILE 49 2HG2 ILE 49 43.252 61.903 -43.165 400 3HG2 ILE 49 3HG2 ILE 49 42.396 63.107 -42.202 401 1HD1 ILE 49 1HD1 ILE 49 45.336 61.705 -43.398 402 2HD1 ILE 49 2HD1 ILE 49 46.277 60.347 -42.784 403 3HD1 ILE 49 3HD1 ILE 49 44.639 60.085 -43.386 404 1HB PRO 50 1HB PRO 50 45.030 67.846 -37.904 405 2HB PRO 50 2HB PRO 50 46.545 67.729 -38.813 406 1HG PRO 50 2HG PRO 50 45.223 68.227 -40.643 407 2HG PRO 50 1HG PRO 50 43.739 67.706 -39.827 408 1HD PRO 50 1HD PRO 50 43.893 65.765 -41.047 409 2HD PRO 50 2HD PRO 50 45.544 66.157 -41.577 410 H SER 51 H SER 51 45.696 65.625 -35.838 411 HA SER 51 HA SER 51 43.047 64.344 -35.616 412 1HB SER 51 1HB SER 51 45.311 64.800 -33.678 413 2HB SER 51 2HB SER 51 43.737 64.215 -33.149 414 HG SER 51 HG SER 51 45.741 62.875 -34.326 415 H ASN 52 H ASN 52 44.687 67.343 -34.687 416 HA ASN 52 HA ASN 52 42.830 68.418 -32.890 417 1HB ASN 52 1HB ASN 52 43.494 70.673 -33.907 418 2HB ASN 52 2HB ASN 52 44.812 69.667 -33.304 419 2HD2 ASN 52 1HD2 ASN 52 45.949 71.217 -35.013 420 1HD2 ASN 52 2HD2 ASN 52 46.059 70.601 -36.590 421 H TYR 53 H TYR 53 42.457 67.884 -36.317 422 HA TYR 53 HA TYR 53 39.836 69.330 -36.204 423 1HB TYR 53 2HB TYR 53 40.010 69.723 -38.548 424 2HB TYR 53 1HB TYR 53 41.314 68.548 -38.725 425 HD1 TYR 53 HD1 TYR 53 40.499 71.692 -36.841 426 HD2 TYR 53 HD2 TYR 53 43.515 69.321 -38.773 427 HE1 TYR 53 HE1 TYR 53 42.165 73.483 -36.437 428 HE2 TYR 53 HE2 TYR 53 45.182 71.111 -38.368 429 HH TYR 53 HH TYR 53 45.471 73.013 -36.722 430 H VAL 54 H VAL 54 40.459 66.571 -35.313 431 HA VAL 54 HA VAL 54 38.259 65.182 -36.694 432 HB VAL 54 HB VAL 54 39.469 63.526 -37.767 433 1HG1 VAL 54 1HG1 VAL 54 41.423 65.819 -37.655 434 2HG1 VAL 54 2HG1 VAL 54 41.526 64.473 -38.790 435 3HG1 VAL 54 3HG1 VAL 54 40.147 65.571 -38.845 436 1HG2 VAL 54 1HG2 VAL 54 41.278 63.821 -35.446 437 2HG2 VAL 54 2HG2 VAL 54 40.737 62.366 -36.278 438 3HG2 VAL 54 3HG2 VAL 54 42.055 63.322 -36.948 439 H THR 55 H THR 55 39.034 62.601 -35.658 440 HA THR 55 HA THR 55 39.622 62.897 -32.841 441 HB THR 55 HB THR 55 37.351 63.867 -33.048 442 HG1 THR 55 HG1 THR 55 36.672 62.871 -31.235 443 1HG2 THR 55 1HG2 THR 55 36.909 61.739 -34.764 444 2HG2 THR 55 2HG2 THR 55 35.989 61.301 -33.324 445 3HG2 THR 55 3HG2 THR 55 35.678 62.834 -34.137 446 H GLU 56 H GLU 56 37.490 60.519 -32.608 447 HA GLU 56 HA GLU 56 37.908 58.227 -32.366 448 1HB GLU 56 1HB GLU 56 38.434 58.640 -35.301 449 2HB GLU 56 2HB GLU 56 38.100 57.088 -34.536 450 1HG GLU 56 1HG GLU 56 36.204 59.378 -34.126 451 2HG GLU 56 2HG GLU 56 36.125 58.435 -35.614 452 H ALA 57 H ALA 57 40.026 57.158 -34.597 453 HA ALA 57 HA ALA 57 42.063 56.485 -32.839 454 1HB ALA 57 1HB ALA 57 41.890 56.829 -35.745 455 2HB ALA 57 2HB ALA 57 43.520 57.031 -35.113 456 3HB ALA 57 3HB ALA 57 42.632 55.536 -34.813 457 H GLU 58 H GLU 58 41.729 59.581 -34.554 458 HA GLU 58 HA GLU 58 43.032 61.556 -34.383 459 1HB GLU 58 2HB GLU 58 41.516 61.503 -32.357 460 2HB GLU 58 1HB GLU 58 42.987 62.453 -32.146 461 1HG GLU 58 1HG GLU 58 42.460 59.640 -31.144 462 2HG GLU 58 2HG GLU 58 44.045 60.413 -31.093 No H/Q in entry = 462 Start of MODEL 11 1 H1 LEU 1 H1 LEU 1 43.660 50.739 -37.788 2 H2 LEU 1 H2 LEU 1 44.875 51.668 -37.050 3 H3 LEU 1 H3 LEU 1 45.089 49.995 -37.258 4 HA LEU 1 HA LEU 1 43.756 49.437 -35.525 5 1HB LEU 1 1HB LEU 1 45.648 51.128 -34.879 6 2HB LEU 1 2HB LEU 1 44.312 52.244 -34.593 7 HG LEU 1 HG LEU 1 43.266 50.493 -33.114 8 1HD1 LEU 1 1HD1 LEU 1 45.652 49.043 -34.071 9 2HD1 LEU 1 2HD1 LEU 1 45.385 48.936 -32.331 10 3HD1 LEU 1 3HD1 LEU 1 44.126 48.413 -33.450 11 1HD2 LEU 1 1HD2 LEU 1 44.766 52.415 -32.328 12 2HD2 LEU 1 2HD2 LEU 1 44.613 51.051 -31.220 13 3HD2 LEU 1 3HD2 LEU 1 46.061 51.223 -32.212 14 H LYS 2 H LYS 2 42.985 52.927 -35.743 15 HA LYS 2 HA LYS 2 40.097 52.145 -35.784 16 1HB LYS 2 2HB LYS 2 39.615 54.109 -34.399 17 2HB LYS 2 1HB LYS 2 41.325 54.547 -34.395 18 1HG LYS 2 1HG LYS 2 40.163 51.975 -33.275 19 2HG LYS 2 2HG LYS 2 41.867 52.431 -33.250 20 1HD LYS 2 2HD LYS 2 40.918 54.617 -32.080 21 2HD LYS 2 1HD LYS 2 41.224 53.154 -31.144 22 1HE LYS 2 1HE LYS 2 38.589 53.063 -32.351 23 2HE LYS 2 2HE LYS 2 39.034 52.946 -30.648 24 1HZ LYS 2 1HZ LYS 2 39.332 55.446 -30.768 25 2HZ LYS 2 2HZ LYS 2 38.485 55.376 -32.239 26 3HZ LYS 2 3HZ LYS 2 37.737 54.862 -30.807 27 H LYS 3 H LYS 3 38.796 54.297 -36.444 28 HA LYS 3 HA LYS 3 40.138 55.305 -38.917 29 1HB LYS 3 1HB LYS 3 37.277 54.681 -38.234 30 2HB LYS 3 2HB LYS 3 37.645 55.842 -39.509 31 1HG LYS 3 1HG LYS 3 38.837 54.218 -40.785 32 2HG LYS 3 2HG LYS 3 38.893 53.090 -39.429 33 1HD LYS 3 1HD LYS 3 36.211 53.987 -40.402 34 2HD LYS 3 2HD LYS 3 37.095 52.808 -41.371 35 1HE LYS 3 1HE LYS 3 36.872 51.158 -39.808 36 2HE LYS 3 2HE LYS 3 37.046 52.277 -38.457 37 1HZ LYS 3 1HZ LYS 3 34.651 52.669 -40.009 38 2HZ LYS 3 2HZ LYS 3 34.726 51.157 -39.244 39 3HZ LYS 3 3HZ LYS 3 34.853 52.580 -38.325 40 H VAL 4 H VAL 4 41.158 57.031 -37.646 41 HA VAL 4 HA VAL 4 40.032 58.895 -35.949 42 HB VAL 4 HB VAL 4 42.391 58.901 -36.833 43 1HG1 VAL 4 1HG1 VAL 4 41.640 58.728 -39.246 44 2HG1 VAL 4 2HG1 VAL 4 41.201 60.433 -39.153 45 3HG1 VAL 4 3HG1 VAL 4 42.881 59.943 -38.939 46 1HG2 VAL 4 1HG2 VAL 4 40.778 61.456 -36.879 47 2HG2 VAL 4 2HG2 VAL 4 41.700 60.791 -35.531 48 3HG2 VAL 4 3HG2 VAL 4 42.540 61.433 -36.944 49 H VAL 5 H VAL 5 38.144 60.063 -36.122 50 HA VAL 5 HA VAL 5 36.989 60.459 -38.788 51 HB VAL 5 HB VAL 5 35.977 60.101 -36.149 52 1HG1 VAL 5 1HG1 VAL 5 35.812 62.605 -36.118 53 2HG1 VAL 5 2HG1 VAL 5 34.835 62.522 -37.581 54 3HG1 VAL 5 3HG1 VAL 5 34.240 61.815 -36.079 55 1HG2 VAL 5 1HG2 VAL 5 35.232 59.866 -38.947 56 2HG2 VAL 5 2HG2 VAL 5 34.800 58.843 -37.577 57 3HG2 VAL 5 3HG2 VAL 5 33.864 60.299 -37.920 58 H ALA 6 H ALA 6 37.226 62.295 -39.918 59 HA ALA 6 HA ALA 6 38.726 64.510 -39.113 60 1HB ALA 6 3HB ALA 6 38.319 64.998 -41.276 61 2HB ALA 6 1HB ALA 6 36.992 63.837 -41.314 62 3HB ALA 6 2HB ALA 6 36.692 65.503 -40.821 63 H LEU 7 H LEU 7 37.551 66.844 -39.082 64 HA LEU 7 HA LEU 7 35.080 66.860 -37.496 65 1HB LEU 7 1HB LEU 7 37.467 66.676 -36.129 66 2HB LEU 7 2HB LEU 7 37.196 68.412 -36.174 67 HG LEU 7 HG LEU 7 36.212 67.225 -34.189 68 1HD1 LEU 7 1HD1 LEU 7 35.237 69.325 -35.704 69 2HD1 LEU 7 2HD1 LEU 7 33.824 68.287 -35.519 70 3HD1 LEU 7 3HD1 LEU 7 34.671 68.885 -34.092 71 1HD2 LEU 7 1HD2 LEU 7 35.468 65.265 -35.749 72 2HD2 LEU 7 2HD2 LEU 7 34.419 65.735 -34.413 73 3HD2 LEU 7 3HD2 LEU 7 34.053 66.274 -36.051 74 H TYR 8 H TYR 8 37.871 68.768 -38.628 75 HA TYR 8 HA TYR 8 35.926 70.862 -39.498 76 1HB TYR 8 1HB TYR 8 38.693 71.455 -38.429 77 2HB TYR 8 2HB TYR 8 37.391 72.601 -38.750 78 HD1 TYR 8 HD1 TYR 8 35.218 72.374 -37.399 79 HD2 TYR 8 HD2 TYR 8 38.877 70.400 -36.316 80 HE1 TYR 8 HE1 TYR 8 34.368 72.060 -35.092 81 HE2 TYR 8 HE2 TYR 8 38.025 70.085 -34.011 82 HH TYR 8 HH TYR 8 35.287 71.707 -32.826 83 H ASP 9 H ASP 9 36.259 71.601 -41.571 84 HA ASP 9 HA ASP 9 37.609 70.179 -43.506 85 1HB ASP 9 1HB ASP 9 36.194 72.525 -43.498 86 2HB ASP 9 2HB ASP 9 37.809 73.093 -43.925 87 H TYR 10 H TYR 10 39.717 69.761 -43.936 88 HA TYR 10 HA TYR 10 41.773 71.756 -43.145 89 1HB TYR 10 1HB TYR 10 41.333 69.685 -41.480 90 2HB TYR 10 2HB TYR 10 42.424 68.899 -42.621 91 HD1 TYR 10 HD1 TYR 10 44.722 69.686 -42.930 92 HD2 TYR 10 HD2 TYR 10 42.085 71.539 -40.091 93 HE1 TYR 10 HE1 TYR 10 46.658 70.825 -41.875 94 HE2 TYR 10 HE2 TYR 10 44.020 72.678 -39.036 95 HH TYR 10 HH TYR 10 46.266 72.768 -38.934 96 H MET 11 H MET 11 41.998 72.125 -45.436 97 HA MET 11 HA MET 11 42.622 69.900 -47.204 98 1HB MET 11 1HB MET 11 43.037 71.699 -48.883 99 2HB MET 11 2HB MET 11 41.462 71.854 -48.104 100 1HG MET 11 1HG MET 11 42.157 73.663 -46.773 101 2HG MET 11 2HG MET 11 43.866 73.282 -46.985 102 1HE MET 11 1HE MET 11 43.846 75.599 -46.982 103 2HE MET 11 2HE MET 11 44.511 76.233 -48.494 104 3HE MET 11 3HE MET 11 42.874 76.659 -48.000 105 1HB PRO 12 1HB PRO 12 47.743 68.984 -49.109 106 2HB PRO 12 2HB PRO 12 47.009 67.957 -47.866 107 1HG PRO 12 2HG PRO 12 45.375 67.577 -49.455 108 2HG PRO 12 1HG PRO 12 45.792 69.039 -50.365 109 1HD PRO 12 1HD PRO 12 43.962 70.029 -49.389 110 2HD PRO 12 2HD PRO 12 43.765 68.679 -48.252 111 H MET 13 H MET 13 47.703 72.059 -46.488 112 HA MET 13 HA MET 13 47.588 74.040 -48.486 113 1HB MET 13 1HB MET 13 49.698 74.944 -47.290 114 2HB MET 13 2HB MET 13 48.231 74.765 -46.326 115 1HG MET 13 1HG MET 13 49.671 72.274 -46.325 116 2HG MET 13 2HG MET 13 50.765 73.576 -45.854 117 1HE MET 13 1HE MET 13 51.050 74.287 -43.615 118 2HE MET 13 2HE MET 13 49.917 75.530 -44.167 119 3HE MET 13 3HE MET 13 49.730 74.808 -42.569 120 H ASN 14 H ASN 14 49.927 71.434 -48.016 121 HA ASN 14 HA ASN 14 51.301 72.318 -50.520 122 1HB ASN 14 1HB ASN 14 52.252 71.060 -48.000 123 2HB ASN 14 2HB ASN 14 52.998 70.480 -49.489 124 2HD2 ASN 14 1HD2 ASN 14 54.067 72.316 -47.262 125 1HD2 ASN 14 2HD2 ASN 14 54.628 73.686 -48.092 126 H ALA 15 H ALA 15 51.360 69.137 -48.965 127 HA ALA 15 HA ALA 15 49.463 67.839 -50.643 128 1HB ALA 15 3HB ALA 15 50.542 67.571 -52.600 129 2HB ALA 15 1HB ALA 15 51.893 68.521 -51.980 130 3HB ALA 15 2HB ALA 15 51.872 66.771 -51.760 131 H ASN 16 H ASN 16 49.706 67.378 -48.095 132 HA ASN 16 HA ASN 16 50.937 64.689 -47.939 133 1HB ASN 16 1HB ASN 16 51.567 66.970 -46.045 134 2HB ASN 16 2HB ASN 16 51.929 65.279 -45.695 135 2HD2 ASN 16 1HD2 ASN 16 53.586 67.881 -46.546 136 1HD2 ASN 16 2HD2 ASN 16 54.672 67.243 -47.685 137 H ASP 17 H ASP 17 49.344 67.121 -45.835 138 HA ASP 17 HA ASP 17 47.915 65.179 -44.299 139 1HB ASP 17 1HB ASP 17 47.759 68.129 -44.698 140 2HB ASP 17 2HB ASP 17 46.350 67.335 -43.992 141 H LEU 18 H LEU 18 45.705 64.443 -44.490 142 HA LEU 18 HA LEU 18 44.738 64.437 -47.275 143 1HB LEU 18 1HB LEU 18 44.177 62.982 -44.758 144 2HB LEU 18 2HB LEU 18 42.774 63.238 -45.781 145 HG LEU 18 HG LEU 18 43.415 61.585 -47.174 146 1HD1 LEU 18 1HD1 LEU 18 45.990 63.119 -47.278 147 2HD1 LEU 18 2HD1 LEU 18 45.953 61.478 -47.916 148 3HD1 LEU 18 3HD1 LEU 18 44.880 62.706 -48.583 149 1HD2 LEU 18 1HD2 LEU 18 44.091 60.600 -45.009 150 2HD2 LEU 18 2HD2 LEU 18 45.090 60.005 -46.333 151 3HD2 LEU 18 3HD2 LEU 18 45.719 61.236 -45.239 152 H GLN 19 H GLN 19 42.960 65.559 -48.045 153 HA GLN 19 HA GLN 19 42.143 67.934 -46.654 154 1HB GLN 19 1HB GLN 19 42.005 67.802 -49.095 155 2HB GLN 19 2HB GLN 19 40.849 66.474 -48.982 156 1HG GLN 19 1HG GLN 19 39.307 68.006 -47.723 157 2HG GLN 19 2HG GLN 19 40.433 69.325 -48.042 158 2HE2 GLN 19 1HE2 GLN 19 39.200 66.642 -50.126 159 1HE2 GLN 19 2HE2 GLN 19 38.666 67.665 -51.372 160 H LEU 20 H LEU 20 40.771 68.020 -44.932 161 HA LEU 20 HA LEU 20 39.146 65.657 -44.303 162 1HB LEU 20 1HB LEU 20 39.484 68.280 -42.839 163 2HB LEU 20 2HB LEU 20 38.583 66.893 -42.234 164 HG LEU 20 HG LEU 20 41.501 67.315 -42.414 165 1HD1 LEU 20 1HD1 LEU 20 39.465 66.302 -40.591 166 2HD1 LEU 20 2HD1 LEU 20 40.898 65.275 -40.635 167 3HD1 LEU 20 3HD1 LEU 20 41.051 66.984 -40.232 168 1HD2 LEU 20 1HD2 LEU 20 40.204 64.686 -43.150 169 2HD2 LEU 20 2HD2 LEU 20 41.419 65.570 -44.059 170 3HD2 LEU 20 3HD2 LEU 20 41.852 64.788 -42.541 171 H ARG 21 H ARG 21 36.904 65.706 -43.965 172 HA ARG 21 HA ARG 21 35.446 68.009 -45.153 173 1HB ARG 21 1HB ARG 21 33.825 66.151 -46.045 174 2HB ARG 21 2HB ARG 21 35.296 66.498 -46.953 175 1HG ARG 21 1HG ARG 21 36.446 64.635 -45.821 176 2HG ARG 21 2HG ARG 21 34.983 64.291 -44.896 177 1HD ARG 21 2HD ARG 21 34.766 62.783 -46.659 178 2HD ARG 21 1HD ARG 21 35.517 63.877 -47.821 179 HE ARG 21 HE ARG 21 32.817 64.504 -46.714 180 1HH1 ARG 21 1HH1 ARG 21 34.648 65.813 -48.969 181 2HH1 ARG 21 2HH1 ARG 21 33.690 65.407 -50.353 182 1HH2 ARG 21 1HH2 ARG 21 31.713 63.126 -48.646 183 2HH2 ARG 21 2HH2 ARG 21 32.029 63.885 -50.171 184 H LYS 22 H LYS 22 36.052 66.951 -42.451 185 HA LYS 22 HA LYS 22 34.964 66.382 -40.446 186 1HB LYS 22 1HB LYS 22 32.783 68.205 -41.427 187 2HB LYS 22 2HB LYS 22 33.484 68.083 -39.814 188 1HG LYS 22 1HG LYS 22 35.484 69.176 -40.488 189 2HG LYS 22 2HG LYS 22 35.098 68.991 -42.197 190 1HD LYS 22 1HD LYS 22 33.058 70.435 -40.622 191 2HD LYS 22 2HD LYS 22 34.607 71.267 -40.767 192 1HE LYS 22 1HE LYS 22 34.053 71.885 -42.858 193 2HE LYS 22 2HE LYS 22 34.007 70.185 -43.325 194 1HZ LYS 22 1HZ LYS 22 31.714 71.306 -41.885 195 2HZ LYS 22 2HZ LYS 22 31.899 71.691 -43.530 196 3HZ LYS 22 3HZ LYS 22 31.761 70.069 -43.046 197 H GLY 23 H GLY 23 34.239 64.252 -40.537 198 1HA GLY 23 1HA GLY 23 31.835 63.296 -40.149 199 2HA GLY 23 2HA GLY 23 31.601 63.755 -41.839 200 H ASP 24 H ASP 24 33.345 62.851 -43.363 201 HA ASP 24 HA ASP 24 33.358 60.019 -43.249 202 1HB ASP 24 1HB ASP 24 35.183 61.946 -44.711 203 2HB ASP 24 2HB ASP 24 35.206 60.200 -44.963 204 H GLU 25 H GLU 25 34.701 58.594 -42.207 205 HA GLU 25 HA GLU 25 36.724 59.746 -40.396 206 1HB GLU 25 2HB GLU 25 36.564 57.787 -39.175 207 2HB GLU 25 1HB GLU 25 36.273 56.795 -40.605 208 1HG GLU 25 1HG GLU 25 34.328 57.546 -38.831 209 2HG GLU 25 2HG GLU 25 34.182 58.809 -40.055 210 H TYR 26 H TYR 26 38.876 58.612 -40.260 211 HA TYR 26 HA TYR 26 39.801 57.742 -42.964 212 1HB TYR 26 1HB TYR 26 41.523 59.283 -41.021 213 2HB TYR 26 2HB TYR 26 41.768 59.047 -42.748 214 HD1 TYR 26 HD1 TYR 26 39.013 59.572 -43.751 215 HD2 TYR 26 HD2 TYR 26 41.357 61.671 -40.826 216 HE1 TYR 26 HE1 TYR 26 37.761 61.642 -44.245 217 HE2 TYR 26 HE2 TYR 26 40.096 63.743 -41.323 218 HH TYR 26 HH TYR 26 37.862 63.933 -44.018 219 H PHE 27 H PHE 27 40.730 55.755 -42.919 220 HA PHE 27 HA PHE 27 41.147 54.361 -40.398 221 1HB PHE 27 1HB PHE 27 40.437 53.344 -42.684 222 2HB PHE 27 2HB PHE 27 42.155 53.409 -43.081 223 HD1 PHE 27 HD1 PHE 27 39.610 51.896 -40.880 224 HD2 PHE 27 HD2 PHE 27 43.777 52.010 -41.921 225 HE1 PHE 27 HE1 PHE 27 39.993 49.819 -39.579 226 HE2 PHE 27 HE2 PHE 27 44.158 49.933 -40.620 227 HZ PHE 27 HZ PHE 27 42.266 48.838 -39.448 228 H ILE 28 H ILE 28 43.093 54.041 -39.356 229 HA ILE 28 HA ILE 28 45.313 55.715 -40.291 230 HB ILE 28 HB ILE 28 45.235 54.040 -37.794 231 1HG1 ILE 28 2HG1 ILE 28 44.531 56.394 -36.835 232 2HG1 ILE 28 1HG1 ILE 28 43.302 55.320 -37.495 233 1HG2 ILE 28 1HG2 ILE 28 47.407 55.005 -38.490 234 2HG2 ILE 28 2HG2 ILE 28 46.671 56.606 -38.541 235 3HG2 ILE 28 3HG2 ILE 28 46.816 55.750 -37.006 236 1HD1 ILE 28 1HD1 ILE 28 44.676 57.377 -39.231 237 2HD1 ILE 28 2HD1 ILE 28 43.145 56.554 -39.517 238 3HD1 ILE 28 3HD1 ILE 28 43.259 57.792 -38.269 239 H LEU 29 H LEU 29 46.334 54.728 -41.957 240 HA LEU 29 HA LEU 29 46.979 51.949 -42.098 241 1HB LEU 29 1HB LEU 29 48.132 54.454 -43.355 242 2HB LEU 29 2HB LEU 29 48.717 52.840 -43.757 243 HG LEU 29 HG LEU 29 47.083 53.337 -45.399 244 1HD1 LEU 29 1HD1 LEU 29 46.856 51.101 -44.223 245 2HD1 LEU 29 2HD1 LEU 29 45.534 51.815 -43.299 246 3HD1 LEU 29 3HD1 LEU 29 45.403 51.662 -45.052 247 1HD2 LEU 29 1HD2 LEU 29 46.121 55.276 -44.116 248 2HD2 LEU 29 2HD2 LEU 29 44.923 54.290 -44.948 249 3HD2 LEU 29 3HD2 LEU 29 45.150 54.114 -43.209 250 H GLU 30 H GLU 30 48.145 54.526 -40.180 251 HA GLU 30 HA GLU 30 49.940 52.922 -38.677 252 1HB GLU 30 1HB GLU 30 52.063 54.238 -39.434 253 2HB GLU 30 2HB GLU 30 51.528 52.874 -40.416 254 1HG GLU 30 1HG GLU 30 50.886 54.205 -42.155 255 2HG GLU 30 2HG GLU 30 50.304 55.483 -41.088 256 H GLU 31 H GLU 31 50.934 54.216 -36.947 257 HA GLU 31 HA GLU 31 49.891 57.021 -36.848 258 1HB GLU 31 2HB GLU 31 48.587 55.391 -35.410 259 2HB GLU 31 1HB GLU 31 49.312 56.734 -34.524 260 1HG GLU 31 1HG GLU 31 51.124 54.448 -34.781 261 2HG GLU 31 2HG GLU 31 50.652 55.346 -33.338 262 H SER 32 H SER 32 51.074 57.488 -34.239 263 HA SER 32 HA SER 32 53.814 56.810 -34.060 264 1HB SER 32 1HB SER 32 53.252 58.664 -36.180 265 2HB SER 32 2HB SER 32 54.165 59.498 -34.925 266 HG SER 32 HG SER 32 54.957 57.586 -36.682 267 H ASN 33 H ASN 33 54.880 59.284 -33.170 268 HA ASN 33 HA ASN 33 53.486 59.517 -30.613 269 1HB ASN 33 1HB ASN 33 55.292 61.302 -30.217 270 2HB ASN 33 2HB ASN 33 55.859 59.652 -30.481 271 2HD2 ASN 33 1HD2 ASN 33 57.867 61.156 -31.109 272 1HD2 ASN 33 2HD2 ASN 33 57.980 61.549 -32.756 273 H LEU 34 H LEU 34 54.187 61.749 -33.320 274 HA LEU 34 HA LEU 34 52.903 64.043 -32.363 275 1HB LEU 34 1HB LEU 34 53.449 62.908 -35.053 276 2HB LEU 34 2HB LEU 34 52.209 64.159 -34.980 277 HG LEU 34 HG LEU 34 54.534 64.841 -33.358 278 1HD1 LEU 34 1HD1 LEU 34 54.913 64.365 -36.329 279 2HD1 LEU 34 2HD1 LEU 34 56.026 65.288 -35.317 280 3HD1 LEU 34 3HD1 LEU 34 55.781 63.567 -35.016 281 1HD2 LEU 34 1HD2 LEU 34 52.913 66.073 -35.584 282 2HD2 LEU 34 2HD2 LEU 34 53.010 66.565 -33.894 283 3HD2 LEU 34 3HD2 LEU 34 54.369 66.863 -34.979 284 1HB PRO 35 1HB PRO 35 47.545 65.523 -33.257 285 2HB PRO 35 2HB PRO 35 48.248 65.354 -31.639 286 1HG PRO 35 2HG PRO 35 49.702 67.008 -32.338 287 2HG PRO 35 1HG PRO 35 49.388 66.686 -34.050 288 1HD PRO 35 1HD PRO 35 51.391 65.563 -34.085 289 2HD PRO 35 2HD PRO 35 51.512 65.602 -32.313 290 H TRP 36 H TRP 36 49.657 64.610 -35.390 291 HA TRP 36 HA TRP 36 47.377 63.462 -36.831 292 1HB TRP 36 2HB TRP 36 48.089 64.705 -38.624 293 2HB TRP 36 1HB TRP 36 49.784 64.310 -38.353 294 HD1 TRP 36 HD1 TRP 36 47.415 65.983 -35.817 295 HE1 TRP 36 HE1 TRP 36 48.389 68.288 -35.197 296 HE3 TRP 36 HE3 TRP 36 51.392 66.150 -39.016 297 HZ2 TRP 36 HZ2 TRP 36 50.569 69.977 -35.952 298 HZ3 TRP 36 HZ3 TRP 36 52.900 68.116 -39.042 299 HH2 TRP 36 HH2 TRP 36 52.495 70.028 -37.517 300 H TRP 37 H TRP 37 47.592 61.727 -38.443 301 HA TRP 37 HA TRP 37 50.062 60.078 -38.058 302 1HB TRP 37 1HB TRP 37 47.183 59.134 -38.066 303 2HB TRP 37 2HB TRP 37 48.560 58.047 -38.236 304 HD1 TRP 37 HD1 TRP 37 50.369 59.873 -36.158 305 HE1 TRP 37 HE1 TRP 37 49.955 59.518 -33.638 306 HE3 TRP 37 HE3 TRP 37 45.732 57.741 -36.319 307 HZ2 TRP 37 HZ2 TRP 37 47.925 58.468 -31.920 308 HZ3 TRP 37 HZ3 TRP 37 44.582 57.074 -34.228 309 HH2 TRP 37 HH2 TRP 37 45.672 57.435 -32.030 310 H ARG 38 H ARG 38 49.335 58.052 -39.894 311 HA ARG 38 HA ARG 38 49.144 59.610 -42.436 312 1HB ARG 38 1HB ARG 38 51.423 58.581 -41.916 313 2HB ARG 38 2HB ARG 38 50.649 57.005 -42.073 314 1HG ARG 38 1HG ARG 38 49.776 57.983 -44.357 315 2HG ARG 38 2HG ARG 38 51.143 59.085 -44.179 316 1HD ARG 38 1HD ARG 38 52.717 57.367 -44.305 317 2HD ARG 38 2HD ARG 38 51.564 56.136 -43.789 318 HE ARG 38 HE ARG 38 50.479 56.772 -46.151 319 1HH1 ARG 38 1HH1 ARG 38 53.508 57.929 -46.221 320 2HH1 ARG 38 2HH1 ARG 38 54.163 56.798 -47.357 321 1HH2 ARG 38 1HH2 ARG 38 51.434 54.662 -47.207 322 2HH2 ARG 38 2HH2 ARG 38 52.989 54.949 -47.915 323 H ALA 39 H ALA 39 46.871 59.241 -42.351 324 HA ALA 39 HA ALA 39 46.028 56.398 -42.702 325 1HB ALA 39 3HB ALA 39 44.601 57.078 -41.057 326 2HB ALA 39 1HB ALA 39 44.912 58.778 -41.368 327 3HB ALA 39 2HB ALA 39 43.741 57.901 -42.349 328 H ARG 40 H ARG 40 43.986 56.268 -44.146 329 HA ARG 40 HA ARG 40 44.403 57.987 -46.563 330 1HB ARG 40 1HB ARG 40 44.850 55.699 -47.150 331 2HB ARG 40 2HB ARG 40 43.441 55.125 -46.259 332 1HG ARG 40 1HG ARG 40 42.013 56.493 -47.853 333 2HG ARG 40 2HG ARG 40 43.468 56.741 -48.819 334 1HD ARG 40 1HD ARG 40 42.100 54.803 -49.608 335 2HD ARG 40 2HD ARG 40 43.730 54.339 -49.122 336 HE ARG 40 HE ARG 40 41.467 54.044 -47.198 337 1HH1 ARG 40 1HH1 ARG 40 44.597 53.142 -47.911 338 2HH1 ARG 40 2HH1 ARG 40 44.361 51.443 -47.673 339 1HH2 ARG 40 1HH2 ARG 40 40.913 51.691 -47.399 340 2HH2 ARG 40 2HH2 ARG 40 42.275 50.621 -47.389 341 H ASP 41 H ASP 41 42.889 59.603 -46.282 342 HA ASP 41 HA ASP 41 40.483 59.399 -44.848 343 1HB ASP 41 2HB ASP 41 41.415 61.549 -45.579 344 2HB ASP 41 1HB ASP 41 39.732 61.393 -46.082 345 H LYS 42 H LYS 42 38.257 59.824 -46.077 346 HA LYS 42 HA LYS 42 37.593 57.343 -47.374 347 1HB LYS 42 2HB LYS 42 36.046 58.873 -46.008 348 2HB LYS 42 1HB LYS 42 35.367 58.181 -47.482 349 1HG LYS 42 1HG LYS 42 35.479 60.902 -46.819 350 2HG LYS 42 2HG LYS 42 36.749 60.687 -48.022 351 1HD LYS 42 1HD LYS 42 34.378 59.207 -48.781 352 2HD LYS 42 2HD LYS 42 33.987 60.906 -48.508 353 1HE LYS 42 1HE LYS 42 36.499 60.552 -49.968 354 2HE LYS 42 2HE LYS 42 35.116 59.863 -50.818 355 1HZ LYS 42 1HZ LYS 42 34.329 62.318 -49.756 356 2HZ LYS 42 2HZ LYS 42 35.818 62.564 -50.537 357 3HZ LYS 42 3HZ LYS 42 34.514 61.897 -51.392 358 H ASN 43 H ASN 43 39.096 60.104 -48.567 359 HA ASN 43 HA ASN 43 37.921 59.981 -51.258 360 1HB ASN 43 1HB ASN 43 38.918 62.066 -50.029 361 2HB ASN 43 2HB ASN 43 40.471 61.429 -50.572 362 2HD2 ASN 43 1HD2 ASN 43 40.352 60.731 -53.073 363 1HD2 ASN 43 2HD2 ASN 43 39.605 61.866 -54.090 364 H GLY 44 H GLY 44 39.623 57.755 -49.832 365 1HA GLY 44 1HA GLY 44 41.169 56.138 -50.521 366 2HA GLY 44 2HA GLY 44 40.710 56.589 -52.165 367 H GLN 45 H GLN 45 42.358 58.455 -49.593 368 HA GLN 45 HA GLN 45 44.765 58.576 -51.324 369 1HB GLN 45 1HB GLN 45 43.191 60.588 -51.690 370 2HB GLN 45 2HB GLN 45 43.627 61.068 -50.049 371 1HG GLN 45 2HG GLN 45 46.083 60.755 -50.857 372 2HG GLN 45 1HG GLN 45 45.211 62.204 -51.362 373 2HE2 GLN 45 1HE2 GLN 45 47.251 59.949 -52.602 374 1HE2 GLN 45 2HE2 GLN 45 46.692 59.881 -54.203 375 H GLU 46 H GLU 46 46.458 58.049 -50.056 376 HA GLU 46 HA GLU 46 46.183 58.051 -47.143 377 1HB GLU 46 2HB GLU 46 48.210 56.856 -47.116 378 2HB GLU 46 1HB GLU 46 48.765 57.580 -48.627 379 1HG GLU 46 1HG GLU 46 46.381 55.715 -48.413 380 2HG GLU 46 2HG GLU 46 47.123 56.319 -49.895 381 H GLY 47 H GLY 47 46.852 59.689 -45.818 382 1HA GLY 47 1HA GLY 47 48.976 61.513 -46.662 383 2HA GLY 47 2HA GLY 47 47.385 62.251 -46.562 384 H TYR 48 H TYR 48 48.490 63.568 -44.888 385 HA TYR 48 HA TYR 48 48.773 62.156 -42.291 386 1HB TYR 48 1HB TYR 48 49.971 64.580 -43.482 387 2HB TYR 48 2HB TYR 48 49.551 64.715 -41.775 388 HD1 TYR 48 HD1 TYR 48 51.634 62.952 -44.251 389 HD2 TYR 48 HD2 TYR 48 50.626 63.311 -40.090 390 HE1 TYR 48 HE1 TYR 48 53.640 61.623 -43.650 391 HE2 TYR 48 HE2 TYR 48 52.633 61.982 -39.491 392 HH TYR 48 HH TYR 48 54.154 60.048 -41.270 393 H ILE 49 H ILE 49 46.836 62.094 -41.220 394 HA ILE 49 HA ILE 49 45.052 64.455 -41.481 395 HB ILE 49 HB ILE 49 43.690 62.614 -39.946 396 1HG1 ILE 49 1HG1 ILE 49 45.515 60.953 -40.466 397 2HG1 ILE 49 2HG1 ILE 49 43.911 60.455 -41.010 398 1HG2 ILE 49 1HG2 ILE 49 43.570 63.726 -42.606 399 2HG2 ILE 49 2HG2 ILE 49 42.961 62.071 -42.582 400 3HG2 ILE 49 3HG2 ILE 49 42.253 63.286 -41.520 401 1HD1 ILE 49 1HD1 ILE 49 44.947 61.977 -43.126 402 2HD1 ILE 49 2HD1 ILE 49 46.293 60.977 -42.586 403 3HD1 ILE 49 3HD1 ILE 49 44.777 60.223 -43.076 404 1HB PRO 50 1HB PRO 50 44.861 67.835 -37.196 405 2HB PRO 50 2HB PRO 50 46.329 67.812 -38.187 406 1HG PRO 50 2HG PRO 50 44.906 68.325 -39.930 407 2HG PRO 50 1HG PRO 50 43.480 67.743 -39.057 408 1HD PRO 50 1HD PRO 50 43.609 65.836 -40.330 409 2HD PRO 50 2HD PRO 50 45.197 66.306 -40.971 410 H SER 51 H SER 51 45.853 65.042 -35.400 411 HA SER 51 HA SER 51 43.179 63.959 -34.996 412 1HB SER 51 1HB SER 51 45.595 64.237 -33.218 413 2HB SER 51 2HB SER 51 44.082 63.527 -32.674 414 HG SER 51 HG SER 51 45.320 62.652 -35.047 415 H ASN 52 H ASN 52 44.638 67.022 -34.634 416 HA ASN 52 HA ASN 52 43.082 67.891 -32.320 417 1HB ASN 52 2HB ASN 52 45.277 68.898 -32.892 418 2HB ASN 52 1HB ASN 52 43.996 70.109 -32.811 419 2HD2 ASN 52 1HD2 ASN 52 46.129 70.905 -34.301 420 1HD2 ASN 52 2HD2 ASN 52 45.811 70.790 -35.965 421 H TYR 53 H TYR 53 42.188 67.232 -35.445 422 HA TYR 53 HA TYR 53 39.803 69.003 -35.183 423 1HB TYR 53 1HB TYR 53 41.486 68.732 -37.696 424 2HB TYR 53 2HB TYR 53 39.948 69.585 -37.593 425 HD1 TYR 53 HD1 TYR 53 40.103 70.987 -35.039 426 HD2 TYR 53 HD2 TYR 53 43.154 70.349 -37.994 427 HE1 TYR 53 HE1 TYR 53 41.285 73.022 -34.258 428 HE2 TYR 53 HE2 TYR 53 44.336 72.384 -37.213 429 HH TYR 53 HH TYR 53 42.962 74.718 -35.385 430 H VAL 54 H VAL 54 40.175 66.220 -34.683 431 HA VAL 54 HA VAL 54 38.114 65.037 -36.458 432 HB VAL 54 HB VAL 54 39.523 63.271 -37.276 433 1HG1 VAL 54 1HG1 VAL 54 39.849 65.524 -38.365 434 2HG1 VAL 54 2HG1 VAL 54 41.255 65.748 -37.336 435 3HG1 VAL 54 3HG1 VAL 54 41.228 64.443 -38.518 436 1HG2 VAL 54 1HG2 VAL 54 41.379 64.285 -35.145 437 2HG2 VAL 54 2HG2 VAL 54 40.798 62.646 -35.400 438 3HG2 VAL 54 3HG2 VAL 54 42.002 63.328 -36.488 439 H THR 55 H THR 55 38.980 62.374 -35.578 440 HA THR 55 HA THR 55 39.158 62.340 -32.716 441 HB THR 55 HB THR 55 36.858 63.246 -33.101 442 HG1 THR 55 HG1 THR 55 36.742 62.371 -31.200 443 1HG2 THR 55 1HG2 THR 55 36.705 61.278 -35.005 444 2HG2 THR 55 2HG2 THR 55 35.739 60.604 -33.694 445 3HG2 THR 55 3HG2 THR 55 35.334 62.183 -34.367 446 H GLU 56 H GLU 56 37.198 59.858 -32.919 447 HA GLU 56 HA GLU 56 37.782 57.570 -32.910 448 1HB GLU 56 1HB GLU 56 38.351 58.343 -35.771 449 2HB GLU 56 2HB GLU 56 38.076 56.705 -35.199 450 1HG GLU 56 1HG GLU 56 36.025 58.739 -34.482 451 2HG GLU 56 2HG GLU 56 36.091 58.235 -36.171 452 H ALA 57 H ALA 57 40.037 57.168 -35.292 453 HA ALA 57 HA ALA 57 42.120 56.493 -33.474 454 1HB ALA 57 1HB ALA 57 41.652 56.050 -36.128 455 2HB ALA 57 2HB ALA 57 42.956 57.235 -36.203 456 3HB ALA 57 3HB ALA 57 43.188 55.723 -35.326 457 H GLU 58 H GLU 58 42.087 58.566 -32.191 458 HA GLU 58 HA GLU 58 43.475 60.859 -33.505 459 1HB GLU 58 1HB GLU 58 41.638 61.599 -32.198 460 2HB GLU 58 2HB GLU 58 42.002 60.478 -30.888 461 1HG GLU 58 1HG GLU 58 44.267 62.214 -31.367 462 2HG GLU 58 2HG GLU 58 42.812 63.172 -31.094 No H/Q in entry = 462 Start of MODEL 12 1 H1 LEU 1 H1 LEU 1 43.878 50.662 -33.847 2 H2 LEU 1 H2 LEU 1 44.665 49.213 -34.256 3 H3 LEU 1 H3 LEU 1 44.673 50.522 -35.338 4 HA LEU 1 HA LEU 1 43.000 49.400 -36.311 5 1HB LEU 1 1HB LEU 1 43.274 47.433 -34.880 6 2HB LEU 1 2HB LEU 1 42.419 48.243 -33.567 7 HG LEU 1 HG LEU 1 40.572 48.522 -35.505 8 1HD1 LEU 1 1HD1 LEU 1 42.439 46.422 -36.406 9 2HD1 LEU 1 2HD1 LEU 1 40.745 45.935 -36.405 10 3HD1 LEU 1 3HD1 LEU 1 41.255 47.347 -37.330 11 1HD2 LEU 1 1HD2 LEU 1 41.112 46.529 -33.390 12 2HD2 LEU 1 2HD2 LEU 1 39.666 47.494 -33.682 13 3HD2 LEU 1 3HD2 LEU 1 39.938 46.014 -34.602 14 H LYS 2 H LYS 2 42.161 51.551 -36.607 15 HA LYS 2 HA LYS 2 39.547 51.956 -35.435 16 1HB LYS 2 1HB LYS 2 41.890 53.364 -34.285 17 2HB LYS 2 2HB LYS 2 40.493 54.378 -34.645 18 1HG LYS 2 2HG LYS 2 39.395 52.098 -33.465 19 2HG LYS 2 1HG LYS 2 39.614 53.669 -32.692 20 1HD LYS 2 1HD LYS 2 42.014 51.919 -32.806 21 2HD LYS 2 2HD LYS 2 41.449 52.971 -31.508 22 1HE LYS 2 1HE LYS 2 39.896 50.494 -32.212 23 2HE LYS 2 2HE LYS 2 41.321 50.378 -31.180 24 1HZ LYS 2 1HZ LYS 2 39.551 52.522 -30.455 25 2HZ LYS 2 2HZ LYS 2 38.827 50.990 -30.337 26 3HZ LYS 2 3HZ LYS 2 40.254 51.318 -29.483 27 H LYS 3 H LYS 3 39.095 54.590 -35.981 28 HA LYS 3 HA LYS 3 40.248 55.182 -38.642 29 1HB LYS 3 1HB LYS 3 37.351 54.534 -38.112 30 2HB LYS 3 2HB LYS 3 37.819 55.575 -39.458 31 1HG LYS 3 1HG LYS 3 39.041 53.861 -40.520 32 2HG LYS 3 2HG LYS 3 39.134 52.894 -39.047 33 1HD LYS 3 1HD LYS 3 37.317 51.770 -39.762 34 2HD LYS 3 2HD LYS 3 36.385 53.249 -39.526 35 1HE LYS 3 1HE LYS 3 36.255 53.653 -41.752 36 2HE LYS 3 2HE LYS 3 37.951 53.245 -42.010 37 1HZ LYS 3 1HZ LYS 3 36.221 51.020 -41.339 38 2HZ LYS 3 2HZ LYS 3 35.914 51.742 -42.846 39 3HZ LYS 3 3HZ LYS 3 37.458 51.124 -42.495 40 H VAL 4 H VAL 4 41.131 56.970 -37.339 41 HA VAL 4 HA VAL 4 39.724 58.824 -35.821 42 HB VAL 4 HB VAL 4 42.205 58.835 -36.329 43 1HG1 VAL 4 1HG1 VAL 4 41.784 58.710 -38.846 44 2HG1 VAL 4 2HG1 VAL 4 41.408 60.431 -38.767 45 3HG1 VAL 4 3HG1 VAL 4 43.015 59.858 -38.321 46 1HG2 VAL 4 1HG2 VAL 4 40.554 61.356 -36.537 47 2HG2 VAL 4 2HG2 VAL 4 41.377 60.706 -35.119 48 3HG2 VAL 4 3HG2 VAL 4 42.315 61.394 -36.443 49 H VAL 5 H VAL 5 37.839 59.870 -36.324 50 HA VAL 5 HA VAL 5 37.157 60.257 -39.164 51 HB VAL 5 HB VAL 5 35.552 59.388 -37.340 52 1HG1 VAL 5 1HG1 VAL 5 36.227 61.750 -36.129 53 2HG1 VAL 5 2HG1 VAL 5 34.699 62.170 -36.897 54 3HG1 VAL 5 3HG1 VAL 5 34.777 60.822 -35.761 55 1HG2 VAL 5 1HG2 VAL 5 35.163 60.461 -39.766 56 2HG2 VAL 5 2HG2 VAL 5 33.821 59.977 -38.728 57 3HG2 VAL 5 3HG2 VAL 5 34.318 61.668 -38.799 58 H ALA 6 H ALA 6 37.055 62.187 -40.212 59 HA ALA 6 HA ALA 6 38.507 64.426 -39.343 60 1HB ALA 6 3HB ALA 6 38.058 64.492 -41.622 61 2HB ALA 6 2HB ALA 6 36.860 65.646 -41.035 62 3HB ALA 6 1HB ALA 6 36.380 63.991 -41.409 63 H LEU 7 H LEU 7 37.289 66.702 -39.262 64 HA LEU 7 HA LEU 7 34.839 66.636 -37.628 65 1HB LEU 7 1HB LEU 7 37.312 66.648 -36.354 66 2HB LEU 7 2HB LEU 7 36.874 68.350 -36.404 67 HG LEU 7 HG LEU 7 36.071 67.097 -34.372 68 1HD1 LEU 7 1HD1 LEU 7 34.764 69.002 -36.008 69 2HD1 LEU 7 2HD1 LEU 7 33.518 67.884 -35.452 70 3HD1 LEU 7 3HD1 LEU 7 34.527 68.733 -34.281 71 1HD2 LEU 7 1HD2 LEU 7 35.452 65.070 -35.925 72 2HD2 LEU 7 2HD2 LEU 7 34.439 65.432 -34.528 73 3HD2 LEU 7 3HD2 LEU 7 33.934 65.943 -36.138 74 H TYR 8 H TYR 8 37.530 68.715 -38.699 75 HA TYR 8 HA TYR 8 35.491 70.635 -39.742 76 1HB TYR 8 1HB TYR 8 38.150 71.412 -38.518 77 2HB TYR 8 2HB TYR 8 36.832 72.486 -38.988 78 HD1 TYR 8 HD1 TYR 8 34.444 71.666 -37.924 79 HD2 TYR 8 HD2 TYR 8 38.337 70.999 -36.231 80 HE1 TYR 8 HE1 TYR 8 33.425 71.409 -35.680 81 HE2 TYR 8 HE2 TYR 8 37.315 70.742 -33.988 82 HH TYR 8 HH TYR 8 35.063 70.099 -33.057 83 H ASP 9 H ASP 9 36.027 71.570 -41.754 84 HA ASP 9 HA ASP 9 37.626 70.064 -43.533 85 1HB ASP 9 1HB ASP 9 36.305 72.721 -43.589 86 2HB ASP 9 2HB ASP 9 37.616 72.488 -44.747 87 H TYR 10 H TYR 10 39.808 69.875 -43.614 88 HA TYR 10 HA TYR 10 41.446 72.258 -42.874 89 1HB TYR 10 1HB TYR 10 41.345 70.488 -41.032 90 2HB TYR 10 2HB TYR 10 42.214 69.425 -42.139 91 HD1 TYR 10 HD1 TYR 10 44.482 70.078 -42.980 92 HD2 TYR 10 HD2 TYR 10 42.452 72.291 -39.909 93 HE1 TYR 10 HE1 TYR 10 46.619 71.172 -42.355 94 HE2 TYR 10 HE2 TYR 10 44.588 73.385 -39.284 95 HH TYR 10 HH TYR 10 47.087 73.677 -41.049 96 H MET 11 H MET 11 42.124 72.752 -44.952 97 HA MET 11 HA MET 11 42.945 70.659 -46.802 98 1HB MET 11 1HB MET 11 41.896 72.626 -47.740 99 2HB MET 11 2HB MET 11 43.063 73.682 -46.943 100 1HG MET 11 1HG MET 11 44.884 72.646 -48.269 101 2HG MET 11 2HG MET 11 43.694 71.639 -49.093 102 1HE MET 11 1HE MET 11 45.909 73.669 -49.609 103 2HE MET 11 2HE MET 11 45.399 73.955 -51.279 104 3HE MET 11 3HE MET 11 45.472 75.292 -50.135 105 1HB PRO 12 1HB PRO 12 48.159 69.101 -47.371 106 2HB PRO 12 2HB PRO 12 47.223 68.463 -46.008 107 1HG PRO 12 2HG PRO 12 45.779 67.692 -47.638 108 2HG PRO 12 1HG PRO 12 46.390 68.834 -48.847 109 1HD PRO 12 1HD PRO 12 44.517 70.099 -48.438 110 2HD PRO 12 2HD PRO 12 44.089 69.113 -47.025 111 H MET 13 H MET 13 49.063 71.800 -45.881 112 HA MET 13 HA MET 13 48.875 73.842 -47.924 113 1HB MET 13 1HB MET 13 51.056 72.942 -46.043 114 2HB MET 13 2HB MET 13 51.360 74.171 -47.270 115 1HG MET 13 1HG MET 13 48.925 74.900 -46.051 116 2HG MET 13 2HG MET 13 50.000 74.440 -44.732 117 1HE MET 13 1HE MET 13 52.603 74.751 -45.548 118 2HE MET 13 2HE MET 13 53.220 76.399 -45.632 119 3HE MET 13 3HE MET 13 52.393 75.847 -44.177 120 H ASN 14 H ASN 14 49.623 70.582 -48.109 121 HA ASN 14 HA ASN 14 50.613 70.877 -50.843 122 1HB ASN 14 1HB ASN 14 52.531 70.823 -48.815 123 2HB ASN 14 2HB ASN 14 52.479 69.160 -49.400 124 2HD2 ASN 14 1HD2 ASN 14 54.614 69.461 -50.434 125 1HD2 ASN 14 2HD2 ASN 14 54.755 70.349 -51.873 126 H ALA 15 H ALA 15 51.775 68.173 -50.826 127 HA ALA 15 HA ALA 15 49.215 66.666 -50.665 128 1HB ALA 15 1HB ALA 15 50.496 66.657 -52.814 129 2HB ALA 15 3HB ALA 15 50.284 65.043 -52.137 130 3HB ALA 15 2HB ALA 15 51.833 65.870 -51.975 131 H ASN 16 H ASN 16 49.799 66.862 -48.186 132 HA ASN 16 HA ASN 16 51.257 64.357 -47.471 133 1HB ASN 16 2HB ASN 16 52.205 65.485 -45.504 134 2HB ASN 16 1HB ASN 16 51.413 66.991 -45.970 135 2HD2 ASN 16 1HD2 ASN 16 53.218 64.570 -47.949 136 1HD2 ASN 16 2HD2 ASN 16 54.338 65.689 -48.561 137 H ASP 17 H ASP 17 49.463 66.885 -45.676 138 HA ASP 17 HA ASP 17 48.103 64.910 -44.062 139 1HB ASP 17 1HB ASP 17 48.041 67.871 -44.364 140 2HB ASP 17 2HB ASP 17 46.605 67.115 -43.671 141 H LEU 18 H LEU 18 45.855 64.258 -44.196 142 HA LEU 18 HA LEU 18 44.806 64.365 -46.949 143 1HB LEU 18 1HB LEU 18 44.312 62.798 -44.488 144 2HB LEU 18 2HB LEU 18 42.883 63.108 -45.459 145 HG LEU 18 HG LEU 18 43.485 61.536 -46.960 146 1HD1 LEU 18 1HD1 LEU 18 46.082 63.039 -47.005 147 2HD1 LEU 18 2HD1 LEU 18 46.004 61.444 -47.751 148 3HD1 LEU 18 3HD1 LEU 18 44.945 62.735 -48.317 149 1HD2 LEU 18 1HD2 LEU 18 44.200 60.480 -44.813 150 2HD2 LEU 18 2HD2 LEU 18 45.081 59.869 -46.212 151 3HD2 LEU 18 3HD2 LEU 18 45.844 61.034 -45.133 152 H GLN 19 H GLN 19 43.601 66.057 -47.580 153 HA GLN 19 HA GLN 19 42.586 68.104 -45.963 154 1HB GLN 19 1HB GLN 19 42.629 68.172 -48.458 155 2HB GLN 19 2HB GLN 19 41.282 67.032 -48.487 156 1HG GLN 19 1HG GLN 19 39.768 68.587 -47.636 157 2HG GLN 19 2HG GLN 19 41.034 69.556 -46.881 158 2HE2 GLN 19 1HE2 GLN 19 40.453 68.403 -50.261 159 1HE2 GLN 19 2HE2 GLN 19 40.658 69.932 -50.968 160 H LEU 20 H LEU 20 40.857 68.241 -44.563 161 HA LEU 20 HA LEU 20 39.340 65.759 -44.116 162 1HB LEU 20 1HB LEU 20 39.384 68.378 -42.614 163 2HB LEU 20 2HB LEU 20 38.443 66.969 -42.136 164 HG LEU 20 HG LEU 20 41.376 67.427 -41.993 165 1HD1 LEU 20 1HD1 LEU 20 39.647 67.304 -40.094 166 2HD1 LEU 20 2HD1 LEU 20 39.625 65.566 -40.398 167 3HD1 LEU 20 3HD1 LEU 20 41.123 66.356 -39.902 168 1HD2 LEU 20 1HD2 LEU 20 41.148 65.531 -43.634 169 2HD2 LEU 20 2HD2 LEU 20 41.917 65.054 -42.123 170 3HD2 LEU 20 3HD2 LEU 20 40.227 64.649 -42.418 171 H ARG 21 H ARG 21 37.053 65.695 -44.020 172 HA ARG 21 HA ARG 21 35.630 67.908 -45.410 173 1HB ARG 21 1HB ARG 21 36.037 65.184 -46.374 174 2HB ARG 21 2HB ARG 21 34.322 65.569 -46.218 175 1HG ARG 21 1HG ARG 21 34.480 67.406 -47.698 176 2HG ARG 21 2HG ARG 21 36.237 67.474 -47.562 177 1HD ARG 21 1HD ARG 21 35.891 66.444 -49.655 178 2HD ARG 21 2HD ARG 21 36.196 65.085 -48.573 179 HE ARG 21 HE ARG 21 33.753 64.672 -48.546 180 1HH1 ARG 21 1HH1 ARG 21 34.214 67.577 -50.154 181 2HH1 ARG 21 2HH1 ARG 21 33.210 67.191 -51.511 182 1HH2 ARG 21 1HH2 ARG 21 32.790 63.873 -50.595 183 2HH2 ARG 21 2HH2 ARG 21 32.405 65.094 -51.761 184 H LYS 22 H LYS 22 35.937 66.930 -42.646 185 HA LYS 22 HA LYS 22 34.648 66.268 -40.789 186 1HB LYS 22 2HB LYS 22 33.008 67.883 -40.328 187 2HB LYS 22 1HB LYS 22 32.523 68.010 -42.019 188 1HG LYS 22 1HG LYS 22 34.975 69.123 -40.674 189 2HG LYS 22 2HG LYS 22 34.929 68.885 -42.420 190 1HD LYS 22 1HD LYS 22 34.223 71.182 -41.790 191 2HD LYS 22 2HD LYS 22 32.930 70.293 -42.590 192 1HE LYS 22 1HE LYS 22 31.744 69.967 -40.587 193 2HE LYS 22 2HE LYS 22 33.167 70.266 -39.590 194 1HZ LYS 22 1HZ LYS 22 33.090 72.591 -40.626 195 2HZ LYS 22 2HZ LYS 22 31.488 72.206 -41.040 196 3HZ LYS 22 3HZ LYS 22 31.962 72.216 -39.413 197 H GLY 23 H GLY 23 34.019 64.117 -40.951 198 1HA GLY 23 1HA GLY 23 31.662 63.028 -40.843 199 2HA GLY 23 2HA GLY 23 31.545 63.544 -42.529 200 H ASP 24 H ASP 24 33.421 62.784 -43.948 201 HA ASP 24 HA ASP 24 33.595 59.984 -44.011 202 1HB ASP 24 1HB ASP 24 35.564 62.082 -44.976 203 2HB ASP 24 2HB ASP 24 35.727 60.366 -45.341 204 H GLU 25 H GLU 25 35.056 58.498 -43.035 205 HA GLU 25 HA GLU 25 36.535 59.648 -40.726 206 1HB GLU 25 1HB GLU 25 35.982 56.734 -41.370 207 2HB GLU 25 2HB GLU 25 36.589 57.381 -39.846 208 1HG GLU 25 1HG GLU 25 34.535 58.331 -39.275 209 2HG GLU 25 2HG GLU 25 33.987 58.395 -40.950 210 H TYR 26 H TYR 26 38.653 58.458 -40.232 211 HA TYR 26 HA TYR 26 40.140 57.943 -42.765 212 1HB TYR 26 1HB TYR 26 41.134 59.591 -40.423 213 2HB TYR 26 2HB TYR 26 41.994 59.297 -41.930 214 HD1 TYR 26 HD1 TYR 26 38.588 60.528 -40.824 215 HD2 TYR 26 HD2 TYR 26 41.909 60.990 -43.516 216 HE1 TYR 26 HE1 TYR 26 37.477 62.472 -41.886 217 HE2 TYR 26 HE2 TYR 26 40.786 62.935 -44.556 218 HH TYR 26 HH TYR 26 38.261 63.685 -44.789 219 H PHE 27 H PHE 27 40.943 55.919 -42.636 220 HA PHE 27 HA PHE 27 41.281 54.572 -40.048 221 1HB PHE 27 1HB PHE 27 40.362 53.289 -41.920 222 2HB PHE 27 2HB PHE 27 41.786 53.647 -42.895 223 HD1 PHE 27 HD1 PHE 27 40.551 51.825 -39.914 224 HD2 PHE 27 HD2 PHE 27 43.865 52.481 -42.566 225 HE1 PHE 27 HE1 PHE 27 41.714 49.860 -38.946 226 HE2 PHE 27 HE2 PHE 27 45.028 50.515 -41.597 227 HZ PHE 27 HZ PHE 27 43.952 49.206 -39.787 228 H ILE 28 H ILE 28 43.202 54.379 -39.002 229 HA ILE 28 HA ILE 28 45.497 55.800 -40.098 230 HB ILE 28 HB ILE 28 45.459 54.115 -37.603 231 1HG1 ILE 28 2HG1 ILE 28 44.918 56.515 -36.606 232 2HG1 ILE 28 1HG1 ILE 28 43.615 55.461 -37.149 233 1HG2 ILE 28 1HG2 ILE 28 47.220 56.119 -38.861 234 2HG2 ILE 28 2HG2 ILE 28 46.915 56.390 -37.145 235 3HG2 ILE 28 3HG2 ILE 28 47.604 54.860 -37.686 236 1HD1 ILE 28 1HD1 ILE 28 44.876 57.376 -39.101 237 2HD1 ILE 28 2HD1 ILE 28 43.247 56.701 -39.103 238 3HD1 ILE 28 3HD1 ILE 28 43.674 57.970 -37.956 239 H LEU 29 H LEU 29 46.923 54.967 -41.374 240 HA LEU 29 HA LEU 29 47.240 52.017 -41.502 241 1HB LEU 29 1HB LEU 29 48.002 52.368 -43.751 242 2HB LEU 29 2HB LEU 29 46.586 53.398 -43.542 243 HG LEU 29 HG LEU 29 48.880 54.871 -42.692 244 1HD1 LEU 29 1HD1 LEU 29 49.453 53.018 -44.814 245 2HD1 LEU 29 2HD1 LEU 29 49.483 54.661 -45.455 246 3HD1 LEU 29 3HD1 LEU 29 50.515 54.226 -44.093 247 1HD2 LEU 29 1HD2 LEU 29 46.508 55.270 -44.051 248 2HD2 LEU 29 2HD2 LEU 29 47.772 56.483 -43.852 249 3HD2 LEU 29 3HD2 LEU 29 47.711 55.505 -45.318 250 H GLU 30 H GLU 30 48.566 54.204 -39.651 251 HA GLU 30 HA GLU 30 51.101 52.873 -39.435 252 1HB GLU 30 1HB GLU 30 51.029 54.746 -41.519 253 2HB GLU 30 2HB GLU 30 51.852 55.574 -40.196 254 1HG GLU 30 2HG GLU 30 52.851 52.918 -40.245 255 2HG GLU 30 1HG GLU 30 53.713 54.400 -40.660 256 H GLU 31 H GLU 31 49.752 56.177 -39.042 257 HA GLU 31 HA GLU 31 49.613 57.520 -37.124 258 1HB GLU 31 1HB GLU 31 48.374 55.729 -36.093 259 2HB GLU 31 2HB GLU 31 49.844 54.794 -35.823 260 1HG GLU 31 1HG GLU 31 50.478 56.052 -34.014 261 2HG GLU 31 2HG GLU 31 49.794 57.538 -34.676 262 H SER 32 H SER 32 51.207 58.835 -36.372 263 HA SER 32 HA SER 32 53.895 57.607 -35.900 264 1HB SER 32 1HB SER 32 53.431 60.516 -36.540 265 2HB SER 32 2HB SER 32 54.911 59.576 -36.711 266 HG SER 32 HG SER 32 52.511 59.327 -38.212 267 H ASN 33 H ASN 33 54.975 59.986 -34.688 268 HA ASN 33 HA ASN 33 53.800 59.667 -31.996 269 1HB ASN 33 1HB ASN 33 55.796 61.105 -31.338 270 2HB ASN 33 2HB ASN 33 56.194 59.547 -32.063 271 2HD2 ASN 33 1HD2 ASN 33 57.257 59.545 -34.117 272 1HD2 ASN 33 2HD2 ASN 33 57.737 60.968 -34.909 273 H LEU 34 H LEU 34 54.184 62.140 -34.480 274 HA LEU 34 HA LEU 34 53.398 64.401 -32.921 275 1HB LEU 34 2HB LEU 34 53.307 65.556 -34.918 276 2HB LEU 34 1HB LEU 34 52.501 64.240 -35.770 277 HG LEU 34 HG LEU 34 55.244 63.640 -34.836 278 1HD1 LEU 34 1HD1 LEU 34 53.384 62.621 -36.653 279 2HD1 LEU 34 2HD1 LEU 34 54.620 63.359 -37.672 280 3HD1 LEU 34 3HD1 LEU 34 55.068 62.121 -36.498 281 1HD2 LEU 34 1HD2 LEU 34 55.073 66.137 -35.743 282 2HD2 LEU 34 2HD2 LEU 34 56.410 65.091 -36.223 283 3HD2 LEU 34 3HD2 LEU 34 55.039 65.323 -37.307 284 1HB PRO 35 1HB PRO 35 47.932 66.237 -33.657 285 2HB PRO 35 2HB PRO 35 48.783 66.185 -32.103 286 1HG PRO 35 2HG PRO 35 50.219 67.713 -33.059 287 2HG PRO 35 1HG PRO 35 49.698 67.304 -34.702 288 1HD PRO 35 1HD PRO 35 51.607 66.073 -34.913 289 2HD PRO 35 2HD PRO 35 52.003 66.282 -33.193 290 H TRP 36 H TRP 36 50.007 64.888 -35.861 291 HA TRP 36 HA TRP 36 47.540 63.878 -37.075 292 1HB TRP 36 1HB TRP 36 50.015 64.231 -38.705 293 2HB TRP 36 2HB TRP 36 48.360 64.717 -39.065 294 HD1 TRP 36 HD1 TRP 36 47.806 66.419 -36.442 295 HE1 TRP 36 HE1 TRP 36 48.950 68.712 -36.160 296 HE3 TRP 36 HE3 TRP 36 51.724 65.853 -39.667 297 HZ2 TRP 36 HZ2 TRP 36 51.226 70.120 -37.168 298 HZ3 TRP 36 HZ3 TRP 36 53.364 67.684 -39.986 299 HH2 TRP 36 HH2 TRP 36 53.121 69.815 -38.742 300 H TRP 37 H TRP 37 47.310 61.836 -38.073 301 HA TRP 37 HA TRP 37 49.528 59.927 -37.466 302 1HB TRP 37 2HB TRP 37 47.908 58.195 -37.370 303 2HB TRP 37 1HB TRP 37 46.701 59.169 -38.207 304 HD1 TRP 37 HD1 TRP 37 44.881 59.793 -36.583 305 HE1 TRP 37 HE1 TRP 37 44.773 60.629 -34.147 306 HE3 TRP 37 HE3 TRP 37 49.840 59.647 -35.386 307 HZ2 TRP 37 HZ2 TRP 37 46.560 61.165 -31.975 308 HZ3 TRP 37 HZ3 TRP 37 50.611 60.323 -33.130 309 HH2 TRP 37 HH2 TRP 37 48.979 61.082 -31.424 310 H ARG 38 H ARG 38 48.760 57.894 -39.197 311 HA ARG 38 HA ARG 38 49.115 59.146 -41.892 312 1HB ARG 38 1HB ARG 38 50.383 56.645 -40.731 313 2HB ARG 38 2HB ARG 38 50.388 57.013 -42.455 314 1HG ARG 38 1HG ARG 38 51.233 59.380 -41.198 315 2HG ARG 38 2HG ARG 38 52.081 58.083 -40.358 316 1HD ARG 38 1HD ARG 38 51.988 57.774 -43.289 317 2HD ARG 38 2HD ARG 38 52.903 59.176 -42.733 318 HE ARG 38 HE ARG 38 53.708 56.957 -41.162 319 1HH1 ARG 38 1HH1 ARG 38 53.371 57.312 -44.528 320 2HH1 ARG 38 2HH1 ARG 38 54.989 56.817 -44.899 321 1HH2 ARG 38 1HH2 ARG 38 55.978 56.640 -41.580 322 2HH2 ARG 38 2HH2 ARG 38 56.465 56.437 -43.231 323 H ALA 39 H ALA 39 46.922 58.997 -42.425 324 HA ALA 39 HA ALA 39 45.845 56.205 -42.579 325 1HB ALA 39 3HB ALA 39 44.492 57.037 -40.890 326 2HB ALA 39 1HB ALA 39 44.702 58.707 -41.402 327 3HB ALA 39 2HB ALA 39 43.590 57.650 -42.271 328 H ARG 40 H ARG 40 43.813 56.246 -44.040 329 HA ARG 40 HA ARG 40 44.354 57.953 -46.439 330 1HB ARG 40 1HB ARG 40 44.800 55.622 -46.981 331 2HB ARG 40 2HB ARG 40 43.278 55.117 -46.245 332 1HG ARG 40 1HG ARG 40 42.098 56.607 -47.933 333 2HG ARG 40 2HG ARG 40 43.653 56.771 -48.751 334 1HD ARG 40 1HD ARG 40 42.661 54.024 -48.076 335 2HD ARG 40 2HD ARG 40 41.970 54.860 -49.466 336 HE ARG 40 HE ARG 40 44.604 55.157 -49.984 337 1HH1 ARG 40 1HH1 ARG 40 46.090 53.277 -48.905 338 2HH1 ARG 40 2HH1 ARG 40 45.679 51.740 -49.591 339 1HH2 ARG 40 1HH2 ARG 40 42.636 52.820 -50.855 340 2HH2 ARG 40 2HH2 ARG 40 43.724 51.482 -50.695 341 H ASP 41 H ASP 41 42.859 59.587 -46.054 342 HA ASP 41 HA ASP 41 40.429 59.429 -44.704 343 1HB ASP 41 2HB ASP 41 41.417 61.525 -45.591 344 2HB ASP 41 1HB ASP 41 39.701 61.382 -45.955 345 H LYS 42 H LYS 42 38.200 59.698 -45.856 346 HA LYS 42 HA LYS 42 37.672 57.208 -47.251 347 1HB LYS 42 1HB LYS 42 36.072 58.446 -45.679 348 2HB LYS 42 2HB LYS 42 35.771 59.547 -47.024 349 1HG LYS 42 1HG LYS 42 34.491 58.035 -48.119 350 2HG LYS 42 2HG LYS 42 35.627 56.723 -47.801 351 1HD LYS 42 1HD LYS 42 34.336 55.951 -46.128 352 2HD LYS 42 2HD LYS 42 34.360 57.527 -45.337 353 1HE LYS 42 1HE LYS 42 32.616 57.211 -47.742 354 2HE LYS 42 2HE LYS 42 32.083 56.460 -46.237 355 1HZ LYS 42 1HZ LYS 42 33.073 59.184 -46.032 356 2HZ LYS 42 2HZ LYS 42 31.596 58.991 -46.848 357 3HZ LYS 42 3HZ LYS 42 31.759 58.442 -45.252 358 H ASN 43 H ASN 43 38.829 60.190 -48.287 359 HA ASN 43 HA ASN 43 37.498 60.221 -50.892 360 1HB ASN 43 1HB ASN 43 38.698 62.166 -49.462 361 2HB ASN 43 2HB ASN 43 40.056 61.688 -50.482 362 2HD2 ASN 43 1HD2 ASN 43 38.394 60.901 -52.788 363 1HD2 ASN 43 2HD2 ASN 43 37.778 62.335 -53.454 364 H GLY 44 H GLY 44 39.592 58.085 -49.656 365 1HA GLY 44 1HA GLY 44 40.983 56.494 -50.679 366 2HA GLY 44 2HA GLY 44 40.468 57.144 -52.236 367 H GLN 45 H GLN 45 42.127 58.797 -49.542 368 HA GLN 45 HA GLN 45 44.493 59.124 -51.315 369 1HB GLN 45 1HB GLN 45 42.975 61.162 -51.395 370 2HB GLN 45 2HB GLN 45 43.303 61.378 -49.675 371 1HG GLN 45 1HG GLN 45 45.559 61.877 -50.030 372 2HG GLN 45 2HG GLN 45 45.592 61.064 -51.596 373 2HE2 GLN 45 1HE2 GLN 45 43.718 62.173 -53.136 374 1HE2 GLN 45 2HE2 GLN 45 43.839 63.865 -53.210 375 H GLU 46 H GLU 46 46.197 58.349 -50.200 376 HA GLU 46 HA GLU 46 46.051 58.009 -47.297 377 1HB GLU 46 2HB GLU 46 48.097 56.814 -47.505 378 2HB GLU 46 1HB GLU 46 48.501 57.615 -49.025 379 1HG GLU 46 1HG GLU 46 46.253 55.630 -48.554 380 2HG GLU 46 2HG GLU 46 46.494 56.515 -50.061 381 H GLY 47 H GLY 47 46.844 59.449 -45.826 382 1HA GLY 47 1HA GLY 47 49.044 61.232 -46.437 383 2HA GLY 47 2HA GLY 47 47.499 62.073 -46.420 384 H TYR 48 H TYR 48 48.586 63.210 -44.569 385 HA TYR 48 HA TYR 48 48.492 61.611 -42.066 386 1HB TYR 48 1HB TYR 48 49.527 64.434 -42.293 387 2HB TYR 48 2HB TYR 48 49.927 63.214 -41.084 388 HD1 TYR 48 HD1 TYR 48 50.221 60.879 -43.060 389 HD2 TYR 48 HD2 TYR 48 51.772 64.884 -43.057 390 HE1 TYR 48 HE1 TYR 48 52.141 60.137 -44.444 391 HE2 TYR 48 HE2 TYR 48 53.692 64.142 -44.441 392 HH TYR 48 HH TYR 48 54.908 62.060 -44.930 393 H ILE 49 H ILE 49 46.893 62.025 -40.564 394 HA ILE 49 HA ILE 49 45.210 64.433 -41.088 395 HB ILE 49 HB ILE 49 43.531 62.702 -39.763 396 1HG1 ILE 49 1HG1 ILE 49 45.242 60.882 -40.156 397 2HG1 ILE 49 2HG1 ILE 49 43.653 60.549 -40.848 398 1HG2 ILE 49 1HG2 ILE 49 43.690 64.020 -42.251 399 2HG2 ILE 49 2HG2 ILE 49 43.219 62.355 -42.591 400 3HG2 ILE 49 3HG2 ILE 49 42.256 63.333 -41.485 401 1HD1 ILE 49 1HD1 ILE 49 45.137 62.038 -42.772 402 2HD1 ILE 49 2HD1 ILE 49 46.167 60.725 -42.201 403 3HD1 ILE 49 3HD1 ILE 49 44.580 60.368 -42.885 404 1HB PRO 50 1HB PRO 50 44.806 67.604 -36.655 405 2HB PRO 50 2HB PRO 50 46.342 67.562 -37.538 406 1HG PRO 50 2HG PRO 50 45.071 68.225 -39.349 407 2HG PRO 50 1HG PRO 50 43.563 67.660 -38.613 408 1HD PRO 50 1HD PRO 50 43.714 65.819 -39.978 409 2HD PRO 50 2HD PRO 50 45.369 66.247 -40.466 410 H SER 51 H SER 51 45.482 65.154 -34.809 411 HA SER 51 HA SER 51 42.861 63.843 -34.634 412 1HB SER 51 1HB SER 51 45.139 64.321 -32.740 413 2HB SER 51 2HB SER 51 43.573 63.788 -32.137 414 HG SER 51 HG SER 51 44.791 62.489 -34.319 415 H ASN 52 H ASN 52 44.243 66.979 -34.030 416 HA ASN 52 HA ASN 52 42.238 67.857 -32.122 417 1HB ASN 52 1HB ASN 52 43.161 70.148 -32.688 418 2HB ASN 52 2HB ASN 52 44.357 68.985 -32.114 419 2HD2 ASN 52 1HD2 ASN 52 46.224 69.034 -33.361 420 1HD2 ASN 52 2HD2 ASN 52 46.281 69.358 -35.027 421 H TYR 53 H TYR 53 42.068 67.274 -35.437 422 HA TYR 53 HA TYR 53 39.704 69.111 -35.646 423 1HB TYR 53 1HB TYR 53 42.019 68.731 -37.468 424 2HB TYR 53 2HB TYR 53 40.436 68.808 -38.245 425 HD1 TYR 53 HD1 TYR 53 41.909 70.524 -35.244 426 HD2 TYR 53 HD2 TYR 53 40.064 70.943 -39.101 427 HE1 TYR 53 HE1 TYR 53 41.888 72.988 -34.968 428 HE2 TYR 53 HE2 TYR 53 40.045 73.406 -38.824 429 HH TYR 53 HH TYR 53 40.062 74.993 -36.493 430 H VAL 54 H VAL 54 40.224 66.171 -35.004 431 HA VAL 54 HA VAL 54 38.047 65.032 -36.680 432 HB VAL 54 HB VAL 54 39.415 63.111 -37.314 433 1HG1 VAL 54 1HG1 VAL 54 39.664 65.507 -38.449 434 2HG1 VAL 54 2HG1 VAL 54 41.317 65.329 -37.876 435 3HG1 VAL 54 3HG1 VAL 54 40.630 64.134 -38.975 436 1HG2 VAL 54 1HG2 VAL 54 41.467 64.482 -35.591 437 2HG2 VAL 54 2HG2 VAL 54 40.753 62.889 -35.343 438 3HG2 VAL 54 3HG2 VAL 54 41.860 63.162 -36.691 439 H THR 55 H THR 55 38.752 62.367 -35.702 440 HA THR 55 HA THR 55 39.094 62.412 -32.883 441 HB THR 55 HB THR 55 36.892 63.583 -33.128 442 HG1 THR 55 HG1 THR 55 36.207 62.665 -31.282 443 1HG2 THR 55 1HG2 THR 55 36.223 61.036 -34.428 444 2HG2 THR 55 2HG2 THR 55 35.060 61.552 -33.210 445 3HG2 THR 55 3HG2 THR 55 35.447 62.612 -34.564 446 H GLU 56 H GLU 56 36.816 60.107 -32.912 447 HA GLU 56 HA GLU 56 37.169 57.786 -32.843 448 1HB GLU 56 1HB GLU 56 38.060 58.239 -35.684 449 2HB GLU 56 2HB GLU 56 37.349 56.781 -35.012 450 1HG GLU 56 1HG GLU 56 36.006 59.460 -35.401 451 2HG GLU 56 2HG GLU 56 35.595 57.932 -36.177 452 H ALA 57 H ALA 57 39.534 57.167 -35.096 453 HA ALA 57 HA ALA 57 41.449 56.429 -33.096 454 1HB ALA 57 1HB ALA 57 41.043 55.855 -35.772 455 2HB ALA 57 2HB ALA 57 42.532 56.800 -35.790 456 3HB ALA 57 3HB ALA 57 42.430 55.335 -34.814 457 H GLU 58 H GLU 58 41.082 59.021 -32.412 458 HA GLU 58 HA GLU 58 42.927 60.844 -33.757 459 1HB GLU 58 1HB GLU 58 42.450 62.327 -31.824 460 2HB GLU 58 2HB GLU 58 40.965 61.698 -32.541 461 1HG GLU 58 2HG GLU 58 41.748 59.786 -30.625 462 2HG GLU 58 1HG GLU 58 40.394 60.911 -30.510 No H/Q in entry = 462 Start of MODEL 13 1 H1 LEU 1 H1 LEU 1 38.143 50.116 -34.429 2 H2 LEU 1 H2 LEU 1 38.334 48.437 -34.597 3 H3 LEU 1 H3 LEU 1 38.958 49.228 -33.235 4 HA LEU 1 HA LEU 1 40.821 48.896 -34.524 5 1HB LEU 1 1HB LEU 1 40.798 49.480 -36.997 6 2HB LEU 1 2HB LEU 1 39.830 48.088 -36.545 7 HG LEU 1 HG LEU 1 38.747 49.709 -38.172 8 1HD1 LEU 1 1HD1 LEU 1 37.648 48.110 -36.296 9 2HD1 LEU 1 2HD1 LEU 1 36.984 49.662 -35.788 10 3HD1 LEU 1 3HD1 LEU 1 36.691 49.072 -37.421 11 1HD2 LEU 1 1HD2 LEU 1 39.552 51.773 -36.968 12 2HD2 LEU 1 2HD2 LEU 1 37.828 51.773 -37.336 13 3HD2 LEU 1 3HD2 LEU 1 38.379 51.419 -35.700 14 H LYS 2 H LYS 2 41.687 50.915 -36.405 15 HA LYS 2 HA LYS 2 41.429 53.317 -34.644 16 1HB LYS 2 1HB LYS 2 43.710 52.201 -36.257 17 2HB LYS 2 2HB LYS 2 43.656 53.925 -35.884 18 1HG LYS 2 1HG LYS 2 44.151 53.586 -33.697 19 2HG LYS 2 2HG LYS 2 43.074 52.193 -33.578 20 1HD LYS 2 2HD LYS 2 45.039 51.200 -35.196 21 2HD LYS 2 1HD LYS 2 45.008 51.001 -33.444 22 1HE LYS 2 1HE LYS 2 46.631 52.888 -35.116 23 2HE LYS 2 2HE LYS 2 46.185 53.373 -33.480 24 1HZ LYS 2 1HZ LYS 2 47.133 51.286 -32.668 25 2HZ LYS 2 2HZ LYS 2 47.614 50.884 -34.244 26 3HZ LYS 2 3HZ LYS 2 48.294 52.234 -33.468 27 H LYS 3 H LYS 3 39.632 54.228 -35.747 28 HA LYS 3 HA LYS 3 40.194 55.052 -38.568 29 1HB LYS 3 1HB LYS 3 37.777 53.962 -37.263 30 2HB LYS 3 2HB LYS 3 37.490 55.361 -38.300 31 1HG LYS 3 1HG LYS 3 38.489 54.276 -40.191 32 2HG LYS 3 2HG LYS 3 39.114 52.966 -39.188 33 1HD LYS 3 2HD LYS 3 36.330 53.060 -38.708 34 2HD LYS 3 1HD LYS 3 37.220 51.820 -39.592 35 1HE LYS 3 1HE LYS 3 35.262 53.344 -40.706 36 2HE LYS 3 2HE LYS 3 36.678 54.322 -41.088 37 1HZ LYS 3 1HZ LYS 3 37.649 52.016 -41.772 38 2HZ LYS 3 2HZ LYS 3 36.012 51.598 -41.946 39 3HZ LYS 3 3HZ LYS 3 36.657 52.884 -42.843 40 H VAL 4 H VAL 4 41.330 56.918 -37.543 41 HA VAL 4 HA VAL 4 40.073 58.787 -35.818 42 HB VAL 4 HB VAL 4 42.528 58.705 -36.595 43 1HG1 VAL 4 1HG1 VAL 4 41.880 58.710 -39.042 44 2HG1 VAL 4 2HG1 VAL 4 41.464 60.413 -38.854 45 3HG1 VAL 4 3HG1 VAL 4 43.125 59.878 -38.601 46 1HG2 VAL 4 1HG2 VAL 4 40.902 61.233 -36.408 47 2HG2 VAL 4 2HG2 VAL 4 41.986 60.526 -35.209 48 3HG2 VAL 4 3HG2 VAL 4 42.648 61.300 -36.647 49 H VAL 5 H VAL 5 38.149 59.800 -36.235 50 HA VAL 5 HA VAL 5 37.302 60.154 -39.029 51 HB VAL 5 HB VAL 5 35.679 59.258 -37.432 52 1HG1 VAL 5 1HG1 VAL 5 36.755 60.823 -35.595 53 2HG1 VAL 5 2HG1 VAL 5 35.511 61.950 -36.131 54 3HG1 VAL 5 3HG1 VAL 5 35.055 60.370 -35.492 55 1HG2 VAL 5 1HG2 VAL 5 35.343 61.478 -39.196 56 2HG2 VAL 5 2HG2 VAL 5 34.154 60.253 -38.755 57 3HG2 VAL 5 3HG2 VAL 5 34.290 61.731 -37.803 58 H ALA 6 H ALA 6 36.930 62.096 -40.049 59 HA ALA 6 HA ALA 6 38.492 64.343 -39.442 60 1HB ALA 6 1HB ALA 6 36.840 63.642 -41.488 61 2HB ALA 6 3HB ALA 6 37.495 65.267 -41.287 62 3HB ALA 6 2HB ALA 6 35.870 64.895 -40.717 63 H LEU 7 H LEU 7 37.371 66.626 -39.034 64 HA LEU 7 HA LEU 7 35.243 66.462 -36.985 65 1HB LEU 7 1HB LEU 7 37.930 66.515 -36.232 66 2HB LEU 7 2HB LEU 7 37.410 68.185 -36.077 67 HG LEU 7 HG LEU 7 37.106 66.740 -34.022 68 1HD1 LEU 7 1HD1 LEU 7 35.655 68.832 -34.962 69 2HD1 LEU 7 2HD1 LEU 7 34.381 67.625 -34.786 70 3HD1 LEU 7 3HD1 LEU 7 35.363 68.081 -33.394 71 1HD2 LEU 7 1HD2 LEU 7 36.229 64.799 -35.531 72 2HD2 LEU 7 2HD2 LEU 7 35.473 65.056 -33.960 73 3HD2 LEU 7 3HD2 LEU 7 34.681 65.639 -35.423 74 H TYR 8 H TYR 8 37.657 68.855 -38.147 75 HA TYR 8 HA TYR 8 35.343 70.678 -38.663 76 1HB TYR 8 2HB TYR 8 36.771 72.540 -38.090 77 2HB TYR 8 1HB TYR 8 38.180 71.484 -37.984 78 HD1 TYR 8 HD1 TYR 8 34.677 71.609 -36.617 79 HD2 TYR 8 HD2 TYR 8 38.835 70.861 -35.835 80 HE1 TYR 8 HE1 TYR 8 34.148 71.156 -34.239 81 HE2 TYR 8 HE2 TYR 8 38.304 70.408 -33.457 82 HH TYR 8 HH TYR 8 36.017 71.316 -31.878 83 H ASP 9 H ASP 9 36.738 68.745 -40.539 84 HA ASP 9 HA ASP 9 37.359 68.764 -42.800 85 1HB ASP 9 1HB ASP 9 35.477 70.170 -43.232 86 2HB ASP 9 2HB ASP 9 36.267 71.568 -42.506 87 H TYR 10 H TYR 10 39.173 69.314 -44.103 88 HA TYR 10 HA TYR 10 40.957 71.490 -43.309 89 1HB TYR 10 1HB TYR 10 41.346 69.390 -41.757 90 2HB TYR 10 2HB TYR 10 42.188 68.755 -43.170 91 HD1 TYR 10 HD1 TYR 10 41.911 72.084 -41.445 92 HD2 TYR 10 HD2 TYR 10 44.487 69.095 -43.145 93 HE1 TYR 10 HE1 TYR 10 43.888 73.475 -40.895 94 HE2 TYR 10 HE2 TYR 10 46.465 70.488 -42.593 95 HH TYR 10 HH TYR 10 46.197 73.356 -40.615 96 H MET 11 H MET 11 43.212 70.906 -44.622 97 HA MET 11 HA MET 11 42.658 69.601 -47.178 98 1HB MET 11 2HB MET 11 42.519 71.444 -48.532 99 2HB MET 11 1HB MET 11 43.622 72.385 -47.528 100 1HG MET 11 1HG MET 11 40.733 71.760 -46.837 101 2HG MET 11 2HG MET 11 41.835 72.757 -45.886 102 1HE MET 11 1HE MET 11 39.008 72.892 -47.370 103 2HE MET 11 2HE MET 11 38.838 74.284 -48.447 104 3HE MET 11 3HE MET 11 39.396 72.739 -49.082 105 1HB PRO 12 1HB PRO 12 47.661 69.355 -49.816 106 2HB PRO 12 2HB PRO 12 46.842 67.943 -49.126 107 1HG PRO 12 2HG PRO 12 45.160 68.462 -50.624 108 2HG PRO 12 1HG PRO 12 45.709 70.138 -50.799 109 1HD PRO 12 1HD PRO 12 43.996 70.722 -49.385 110 2HD PRO 12 2HD PRO 12 43.686 69.026 -48.959 111 H MET 13 H MET 13 48.537 70.568 -46.448 112 HA MET 13 HA MET 13 48.677 73.226 -47.818 113 1HB MET 13 1HB MET 13 47.881 73.220 -45.410 114 2HB MET 13 2HB MET 13 49.480 72.629 -44.960 115 1HG MET 13 1HG MET 13 50.399 74.679 -45.181 116 2HG MET 13 2HG MET 13 49.634 74.927 -46.751 117 1HE MET 13 1HE MET 13 50.425 76.324 -44.089 118 2HE MET 13 2HE MET 13 49.532 77.756 -44.594 119 3HE MET 13 3HE MET 13 49.122 76.960 -43.077 120 H ASN 14 H ASN 14 50.508 70.532 -46.454 121 HA ASN 14 HA ASN 14 52.706 70.916 -48.240 122 1HB ASN 14 1HB ASN 14 52.749 72.550 -45.853 123 2HB ASN 14 2HB ASN 14 54.100 71.416 -45.840 124 2HD2 ASN 14 1HD2 ASN 14 55.822 72.774 -46.498 125 1HD2 ASN 14 2HD2 ASN 14 55.837 73.633 -47.962 126 H ALA 15 H ALA 15 51.518 69.630 -45.178 127 HA ALA 15 HA ALA 15 53.541 67.506 -45.113 128 1HB ALA 15 1HB ALA 15 51.596 68.606 -43.298 129 2HB ALA 15 2HB ALA 15 51.364 66.862 -43.415 130 3HB ALA 15 3HB ALA 15 52.934 67.511 -42.948 131 H ASN 16 H ASN 16 51.194 67.951 -47.230 132 HA ASN 16 HA ASN 16 49.991 66.511 -48.634 133 1HB ASN 16 1HB ASN 16 51.986 64.708 -47.326 134 2HB ASN 16 2HB ASN 16 50.649 63.963 -48.202 135 2HD2 ASN 16 1HD2 ASN 16 53.712 64.473 -48.804 136 1HD2 ASN 16 2HD2 ASN 16 53.680 65.046 -50.401 137 H ASP 17 H ASP 17 49.077 67.209 -45.854 138 HA ASP 17 HA ASP 17 47.780 65.026 -44.598 139 1HB ASP 17 1HB ASP 17 47.071 67.959 -44.785 140 2HB ASP 17 2HB ASP 17 46.130 66.822 -43.818 141 H LEU 18 H LEU 18 45.581 64.237 -44.803 142 HA LEU 18 HA LEU 18 44.628 64.251 -47.579 143 1HB LEU 18 1HB LEU 18 44.057 62.783 -45.071 144 2HB LEU 18 2HB LEU 18 42.667 63.008 -46.119 145 HG LEU 18 HG LEU 18 43.361 61.345 -47.464 146 1HD1 LEU 18 1HD1 LEU 18 45.906 62.940 -47.585 147 2HD1 LEU 18 2HD1 LEU 18 45.848 61.324 -48.282 148 3HD1 LEU 18 3HD1 LEU 18 44.762 62.576 -48.873 149 1HD2 LEU 18 1HD2 LEU 18 44.106 60.460 -45.260 150 2HD2 LEU 18 2HD2 LEU 18 45.055 59.827 -46.601 151 3HD2 LEU 18 3HD2 LEU 18 45.717 61.099 -45.581 152 H GLN 19 H GLN 19 43.056 65.560 -48.392 153 HA GLN 19 HA GLN 19 42.096 67.825 -47.026 154 1HB GLN 19 1HB GLN 19 41.884 67.755 -49.415 155 2HB GLN 19 2HB GLN 19 40.915 66.281 -49.348 156 1HG GLN 19 1HG GLN 19 39.050 67.426 -48.412 157 2HG GLN 19 2HG GLN 19 40.020 68.847 -48.026 158 2HE2 GLN 19 1HE2 GLN 19 40.517 67.259 -51.119 159 1HE2 GLN 19 2HE2 GLN 19 39.768 68.451 -52.066 160 H LEU 20 H LEU 20 40.934 67.788 -45.174 161 HA LEU 20 HA LEU 20 39.283 65.499 -44.461 162 1HB LEU 20 1HB LEU 20 40.366 67.852 -43.151 163 2HB LEU 20 2HB LEU 20 38.695 67.537 -42.677 164 HG LEU 20 HG LEU 20 39.188 65.370 -41.917 165 1HD1 LEU 20 1HD1 LEU 20 41.582 65.635 -43.696 166 2HD1 LEU 20 2HD1 LEU 20 41.662 64.521 -42.333 167 3HD1 LEU 20 3HD1 LEU 20 40.428 64.309 -43.575 168 1HD2 LEU 20 1HD2 LEU 20 41.292 67.384 -41.263 169 2HD2 LEU 20 2HD2 LEU 20 40.030 66.711 -40.233 170 3HD2 LEU 20 3HD2 LEU 20 41.453 65.746 -40.629 171 H ARG 21 H ARG 21 36.947 65.902 -43.707 172 HA ARG 21 HA ARG 21 35.555 68.089 -45.086 173 1HB ARG 21 1HB ARG 21 35.031 65.196 -45.830 174 2HB ARG 21 2HB ARG 21 34.077 66.575 -46.375 175 1HG ARG 21 1HG ARG 21 36.311 67.525 -47.262 176 2HG ARG 21 2HG ARG 21 36.935 65.889 -47.056 177 1HD ARG 21 1HD ARG 21 34.366 65.793 -48.367 178 2HD ARG 21 2HD ARG 21 35.442 66.885 -49.240 179 HE ARG 21 HE ARG 21 37.085 64.780 -48.931 180 1HH1 ARG 21 1HH1 ARG 21 34.669 65.383 -51.041 181 2HH1 ARG 21 2HH1 ARG 21 34.263 63.735 -51.389 182 1HH2 ARG 21 1HH2 ARG 21 36.165 62.439 -48.796 183 2HH2 ARG 21 2HH2 ARG 21 35.109 62.069 -50.118 184 H LYS 22 H LYS 22 35.906 67.050 -42.351 185 HA LYS 22 HA LYS 22 34.619 66.430 -40.462 186 1HB LYS 22 2HB LYS 22 32.704 67.931 -40.160 187 2HB LYS 22 1HB LYS 22 32.702 68.305 -41.882 188 1HG LYS 22 1HG LYS 22 34.988 68.868 -39.976 189 2HG LYS 22 2HG LYS 22 34.939 69.287 -41.687 190 1HD LYS 22 2HD LYS 22 34.347 71.246 -40.347 191 2HD LYS 22 1HD LYS 22 33.078 70.331 -39.534 192 1HE LYS 22 1HE LYS 22 32.869 70.200 -42.451 193 2HE LYS 22 2HE LYS 22 31.639 70.615 -41.259 194 1HZ LYS 22 1HZ LYS 22 33.199 72.760 -41.124 195 2HZ LYS 22 2HZ LYS 22 33.433 72.340 -42.754 196 3HZ LYS 22 3HZ LYS 22 31.867 72.644 -42.168 197 H GLY 23 H GLY 23 34.018 64.251 -40.650 198 1HA GLY 23 1HA GLY 23 31.663 63.166 -40.493 199 2HA GLY 23 2HA GLY 23 31.501 63.704 -42.167 200 H ASP 24 H ASP 24 33.328 62.939 -43.653 201 HA ASP 24 HA ASP 24 33.443 60.135 -43.736 202 1HB ASP 24 1HB ASP 24 35.421 62.172 -44.789 203 2HB ASP 24 2HB ASP 24 35.492 60.454 -45.172 204 H GLU 25 H GLU 25 34.587 58.665 -42.567 205 HA GLU 25 HA GLU 25 36.393 59.695 -40.474 206 1HB GLU 25 2HB GLU 25 36.319 57.424 -39.575 207 2HB GLU 25 1HB GLU 25 35.523 56.841 -41.038 208 1HG GLU 25 1HG GLU 25 34.405 58.340 -38.742 209 2HG GLU 25 2HG GLU 25 33.857 58.881 -40.330 210 H TYR 26 H TYR 26 38.541 58.763 -40.185 211 HA TYR 26 HA TYR 26 39.728 57.864 -42.776 212 1HB TYR 26 1HB TYR 26 41.207 59.389 -40.630 213 2HB TYR 26 2HB TYR 26 41.668 59.157 -42.315 214 HD1 TYR 26 HD1 TYR 26 38.919 59.623 -43.541 215 HD2 TYR 26 HD2 TYR 26 41.127 61.802 -40.574 216 HE1 TYR 26 HE1 TYR 26 37.718 61.689 -44.172 217 HE2 TYR 26 HE2 TYR 26 39.922 63.863 -41.203 218 HH TYR 26 HH TYR 26 37.971 64.063 -44.044 219 H PHE 27 H PHE 27 41.084 56.091 -42.689 220 HA PHE 27 HA PHE 27 41.181 54.642 -40.095 221 1HB PHE 27 1HB PHE 27 40.250 53.440 -42.062 222 2HB PHE 27 2HB PHE 27 41.778 53.673 -42.911 223 HD1 PHE 27 HD1 PHE 27 40.973 52.730 -39.369 224 HD2 PHE 27 HD2 PHE 27 42.897 51.632 -43.049 225 HE1 PHE 27 HE1 PHE 27 41.889 50.697 -38.283 226 HE2 PHE 27 HE2 PHE 27 43.813 49.600 -41.963 227 HZ PHE 27 HZ PHE 27 43.309 49.132 -39.582 228 H ILE 28 H ILE 28 43.084 54.420 -39.035 229 HA ILE 28 HA ILE 28 45.411 55.801 -40.108 230 HB ILE 28 HB ILE 28 45.315 54.115 -37.612 231 1HG1 ILE 28 2HG1 ILE 28 44.874 56.509 -36.602 232 2HG1 ILE 28 1HG1 ILE 28 43.521 55.557 -37.207 233 1HG2 ILE 28 1HG2 ILE 28 47.153 56.059 -38.874 234 2HG2 ILE 28 2HG2 ILE 28 46.889 56.294 -37.146 235 3HG2 ILE 28 3HG2 ILE 28 47.500 54.751 -37.743 236 1HD1 ILE 28 1HD1 ILE 28 44.979 57.458 -39.036 237 2HD1 ILE 28 2HD1 ILE 28 43.333 56.837 -39.172 238 3HD1 ILE 28 3HD1 ILE 28 43.723 58.051 -37.952 239 H LEU 29 H LEU 29 46.744 54.905 -41.462 240 HA LEU 29 HA LEU 29 46.922 52.020 -41.838 241 1HB LEU 29 1HB LEU 29 48.201 54.465 -43.042 242 2HB LEU 29 2HB LEU 29 48.818 52.856 -43.418 243 HG LEU 29 HG LEU 29 46.366 52.258 -43.944 244 1HD1 LEU 29 1HD1 LEU 29 45.474 54.349 -42.881 245 2HD1 LEU 29 2HD1 LEU 29 46.232 55.276 -44.176 246 3HD1 LEU 29 3HD1 LEU 29 44.942 54.134 -44.547 247 1HD2 LEU 29 1HD2 LEU 29 48.394 53.732 -45.470 248 2HD2 LEU 29 2HD2 LEU 29 47.480 52.293 -45.920 249 3HD2 LEU 29 3HD2 LEU 29 46.768 53.892 -46.134 250 H GLU 30 H GLU 30 48.485 54.449 -39.973 251 HA GLU 30 HA GLU 30 50.230 52.441 -38.744 252 1HB GLU 30 1HB GLU 30 51.301 54.441 -40.693 253 2HB GLU 30 2HB GLU 30 52.277 54.040 -39.280 254 1HG GLU 30 1HG GLU 30 51.752 51.564 -39.932 255 2HG GLU 30 2HG GLU 30 51.367 52.243 -41.514 256 H GLU 31 H GLU 31 50.053 56.006 -39.161 257 HA GLU 31 HA GLU 31 49.642 57.644 -37.498 258 1HB GLU 31 1HB GLU 31 48.525 55.434 -36.333 259 2HB GLU 31 2HB GLU 31 49.826 55.793 -35.199 260 1HG GLU 31 1HG GLU 31 49.020 58.014 -34.829 261 2HG GLU 31 2HG GLU 31 47.902 57.905 -36.189 262 H SER 32 H SER 32 50.899 58.379 -35.365 263 HA SER 32 HA SER 32 53.513 57.215 -34.933 264 1HB SER 32 1HB SER 32 53.624 58.420 -37.243 265 2HB SER 32 2HB SER 32 53.613 59.901 -36.292 266 HG SER 32 HG SER 32 55.357 57.799 -35.623 267 H ASN 33 H ASN 33 54.729 59.855 -34.341 268 HA ASN 33 HA ASN 33 53.382 60.283 -31.748 269 1HB ASN 33 1HB ASN 33 55.407 61.839 -31.406 270 2HB ASN 33 2HB ASN 33 55.741 60.112 -31.543 271 2HD2 ASN 33 1HD2 ASN 33 56.464 63.194 -32.892 272 1HD2 ASN 33 2HD2 ASN 33 57.292 62.647 -34.268 273 H LEU 34 H LEU 34 54.470 62.285 -34.509 274 HA LEU 34 HA LEU 34 53.521 64.777 -33.746 275 1HB LEU 34 1HB LEU 34 53.963 63.393 -36.301 276 2HB LEU 34 2HB LEU 34 52.743 64.664 -36.396 277 HG LEU 34 HG LEU 34 54.688 65.874 -34.886 278 1HD1 LEU 34 1HD1 LEU 34 55.920 63.774 -36.607 279 2HD1 LEU 34 2HD1 LEU 34 56.707 65.352 -36.576 280 3HD1 LEU 34 3HD1 LEU 34 56.484 64.447 -35.078 281 1HD2 LEU 34 1HD2 LEU 34 54.166 65.821 -37.862 282 2HD2 LEU 34 2HD2 LEU 34 53.649 67.029 -36.685 283 3HD2 LEU 34 3HD2 LEU 34 55.346 66.923 -37.150 284 1HB PRO 35 1HB PRO 35 48.403 66.914 -34.923 285 2HB PRO 35 2HB PRO 35 49.097 66.897 -33.291 286 1HG PRO 35 2HG PRO 35 50.752 68.213 -34.232 287 2HG PRO 35 1HG PRO 35 50.387 67.658 -35.874 288 1HD PRO 35 1HD PRO 35 52.232 66.299 -35.679 289 2HD PRO 35 2HD PRO 35 52.335 66.576 -33.928 290 H TRP 36 H TRP 36 50.411 65.326 -36.850 291 HA TRP 36 HA TRP 36 47.974 64.365 -38.164 292 1HB TRP 36 2HB TRP 36 48.930 65.089 -40.133 293 2HB TRP 36 1HB TRP 36 50.539 64.536 -39.675 294 HD1 TRP 36 HD1 TRP 36 48.450 66.874 -37.479 295 HE1 TRP 36 HE1 TRP 36 49.666 69.140 -37.301 296 HE3 TRP 36 HE3 TRP 36 52.237 66.104 -40.814 297 HZ2 TRP 36 HZ2 TRP 36 51.947 70.453 -38.427 298 HZ3 TRP 36 HZ3 TRP 36 53.915 67.874 -41.243 299 HH2 TRP 36 HH2 TRP 36 53.775 70.046 -40.055 300 H TRP 37 H TRP 37 47.585 62.238 -38.704 301 HA TRP 37 HA TRP 37 49.774 60.302 -38.131 302 1HB TRP 37 1HB TRP 37 46.935 59.559 -38.816 303 2HB TRP 37 2HB TRP 37 48.113 58.651 -37.870 304 HD1 TRP 37 HD1 TRP 37 45.143 60.601 -37.394 305 HE1 TRP 37 HE1 TRP 37 44.982 61.563 -35.006 306 HE3 TRP 37 HE3 TRP 37 49.955 59.912 -35.847 307 HZ2 TRP 37 HZ2 TRP 37 46.679 61.984 -32.738 308 HZ3 TRP 37 HZ3 TRP 37 50.658 60.600 -33.573 309 HH2 TRP 37 HH2 TRP 37 49.028 61.633 -32.016 310 H ARG 38 H ARG 38 48.919 58.207 -39.734 311 HA ARG 38 HA ARG 38 49.223 59.304 -42.503 312 1HB ARG 38 1HB ARG 38 51.336 58.287 -41.950 313 2HB ARG 38 2HB ARG 38 50.541 56.888 -41.225 314 1HG ARG 38 1HG ARG 38 50.438 55.850 -43.217 315 2HG ARG 38 2HG ARG 38 49.620 57.237 -43.938 316 1HD ARG 38 1HD ARG 38 51.902 58.347 -44.110 317 2HD ARG 38 2HD ARG 38 52.601 56.786 -43.675 318 HE ARG 38 HE ARG 38 50.756 56.860 -45.997 319 1HH1 ARG 38 1HH1 ARG 38 53.275 55.188 -44.706 320 2HH1 ARG 38 2HH1 ARG 38 54.270 55.179 -46.124 321 1HH2 ARG 38 1HH2 ARG 38 52.318 57.479 -47.832 322 2HH2 ARG 38 2HH2 ARG 38 53.729 56.476 -47.893 323 H ALA 39 H ALA 39 46.842 59.160 -42.501 324 HA ALA 39 HA ALA 39 45.887 56.328 -42.710 325 1HB ALA 39 3HB ALA 39 44.743 57.341 -40.870 326 2HB ALA 39 2HB ALA 39 43.600 57.414 -42.209 327 3HB ALA 39 1HB ALA 39 44.510 58.852 -41.747 328 H ARG 40 H ARG 40 43.800 56.264 -44.084 329 HA ARG 40 HA ARG 40 44.186 57.940 -46.536 330 1HB ARG 40 1HB ARG 40 42.998 55.150 -46.276 331 2HB ARG 40 2HB ARG 40 43.140 56.064 -47.778 332 1HG ARG 40 1HG ARG 40 45.583 56.092 -47.555 333 2HG ARG 40 2HG ARG 40 45.467 55.229 -46.025 334 1HD ARG 40 1HD ARG 40 44.546 54.184 -48.718 335 2HD ARG 40 2HD ARG 40 45.988 53.662 -47.847 336 HE ARG 40 HE ARG 40 43.588 53.363 -46.242 337 1HH1 ARG 40 1HH1 ARG 40 46.207 51.681 -47.168 338 2HH1 ARG 40 2HH1 ARG 40 45.400 50.205 -47.578 339 1HH2 ARG 40 1HH2 ARG 40 42.226 51.597 -47.458 340 2HH2 ARG 40 2HH2 ARG 40 43.146 50.158 -47.744 341 H ASP 41 H ASP 41 42.706 59.582 -46.137 342 HA ASP 41 HA ASP 41 40.357 59.395 -44.630 343 1HB ASP 41 1HB ASP 41 39.522 61.343 -45.955 344 2HB ASP 41 2HB ASP 41 41.171 61.550 -45.368 345 H LYS 42 H LYS 42 38.061 59.692 -45.677 346 HA LYS 42 HA LYS 42 37.448 57.221 -47.040 347 1HB LYS 42 1HB LYS 42 35.934 58.574 -45.457 348 2HB LYS 42 2HB LYS 42 35.596 59.599 -46.853 349 1HG LYS 42 2HG LYS 42 35.015 57.434 -48.103 350 2HG LYS 42 1HG LYS 42 33.876 57.952 -46.860 351 1HD LYS 42 1HD LYS 42 36.126 55.999 -46.318 352 2HD LYS 42 2HD LYS 42 34.738 56.355 -45.290 353 1HE LYS 42 1HE LYS 42 33.555 55.612 -47.678 354 2HE LYS 42 2HE LYS 42 34.944 54.529 -47.575 355 1HZ LYS 42 1HZ LYS 42 32.953 54.960 -45.412 356 2HZ LYS 42 2HZ LYS 42 32.973 53.628 -46.467 357 3HZ LYS 42 3HZ LYS 42 34.252 53.866 -45.380 358 H ASN 43 H ASN 43 38.727 60.079 -48.204 359 HA ASN 43 HA ASN 43 37.290 60.119 -50.758 360 1HB ASN 43 1HB ASN 43 38.699 62.012 -49.378 361 2HB ASN 43 2HB ASN 43 39.896 61.501 -50.567 362 2HD2 ASN 43 1HD2 ASN 43 39.770 63.306 -51.997 363 1HD2 ASN 43 2HD2 ASN 43 38.357 63.729 -52.836 364 H GLY 44 H GLY 44 39.214 57.855 -49.599 365 1HA GLY 44 1HA GLY 44 40.584 56.232 -50.589 366 2HA GLY 44 2HA GLY 44 40.002 56.829 -52.145 367 H GLN 45 H GLN 45 41.890 58.447 -49.577 368 HA GLN 45 HA GLN 45 44.164 58.664 -51.463 369 1HB GLN 45 1HB GLN 45 42.422 60.738 -51.282 370 2HB GLN 45 2HB GLN 45 43.507 61.130 -49.948 371 1HG GLN 45 1HG GLN 45 45.091 61.828 -51.385 372 2HG GLN 45 2HG GLN 45 45.052 60.279 -52.228 373 2HE2 GLN 45 1HE2 GLN 45 44.696 60.671 -54.417 374 1HE2 GLN 45 2HE2 GLN 45 43.583 61.793 -55.037 375 H GLU 46 H GLU 46 45.975 58.146 -50.380 376 HA GLU 46 HA GLU 46 45.915 57.919 -47.449 377 1HB GLU 46 2HB GLU 46 47.757 56.547 -47.683 378 2HB GLU 46 1HB GLU 46 48.443 57.519 -48.985 379 1HG GLU 46 1HG GLU 46 45.938 55.856 -49.347 380 2HG GLU 46 2HG GLU 46 46.951 56.574 -50.599 381 H GLY 47 H GLY 47 46.787 59.457 -46.085 382 1HA GLY 47 1HA GLY 47 48.896 61.248 -46.942 383 2HA GLY 47 2HA GLY 47 47.331 62.050 -46.918 384 H TYR 48 H TYR 48 48.347 63.396 -45.241 385 HA TYR 48 HA TYR 48 48.664 62.063 -42.618 386 1HB TYR 48 1HB TYR 48 49.347 64.833 -43.613 387 2HB TYR 48 2HB TYR 48 49.445 64.387 -41.912 388 HD1 TYR 48 HD1 TYR 48 50.098 61.459 -43.700 389 HD2 TYR 48 HD2 TYR 48 51.920 65.215 -42.682 390 HE1 TYR 48 HE1 TYR 48 52.341 60.477 -44.090 391 HE2 TYR 48 HE2 TYR 48 54.162 64.231 -43.072 392 HH TYR 48 HH TYR 48 55.297 62.332 -43.436 393 H ILE 49 H ILE 49 47.264 62.447 -40.919 394 HA ILE 49 HA ILE 49 45.040 64.371 -41.398 395 HB ILE 49 HB ILE 49 44.878 61.541 -40.435 396 1HG1 ILE 49 2HG1 ILE 49 43.742 63.038 -42.789 397 2HG1 ILE 49 1HG1 ILE 49 43.155 61.446 -42.300 398 1HG2 ILE 49 1HG2 ILE 49 43.426 63.464 -39.254 399 2HG2 ILE 49 2HG2 ILE 49 42.425 63.205 -40.682 400 3HG2 ILE 49 3HG2 ILE 49 42.760 61.865 -39.587 401 1HD1 ILE 49 1HD1 ILE 49 45.955 61.221 -42.312 402 2HD1 ILE 49 2HD1 ILE 49 44.843 60.559 -43.508 403 3HD1 ILE 49 3HD1 ILE 49 45.569 62.145 -43.763 404 1HB PRO 50 1HB PRO 50 45.439 67.949 -37.297 405 2HB PRO 50 2HB PRO 50 46.939 67.666 -38.193 406 1HG PRO 50 2HG PRO 50 45.706 68.336 -40.028 407 2HG PRO 50 1HG PRO 50 44.163 67.979 -39.235 408 1HD PRO 50 1HD PRO 50 44.109 66.052 -40.485 409 2HD PRO 50 2HD PRO 50 45.802 66.255 -40.985 410 H SER 51 H SER 51 45.894 65.080 -35.379 411 HA SER 51 HA SER 51 43.183 64.213 -35.017 412 1HB SER 51 1HB SER 51 45.380 64.925 -33.073 413 2HB SER 51 2HB SER 51 43.804 64.334 -32.555 414 HG SER 51 HG SER 51 45.739 63.048 -34.176 415 H ASN 52 H ASN 52 44.710 67.333 -34.804 416 HA ASN 52 HA ASN 52 42.798 68.588 -33.056 417 1HB ASN 52 1HB ASN 52 43.706 70.713 -33.991 418 2HB ASN 52 2HB ASN 52 44.977 69.607 -33.470 419 2HD2 ASN 52 1HD2 ASN 52 46.537 70.482 -35.010 420 1HD2 ASN 52 2HD2 ASN 52 46.391 70.194 -36.677 421 H TYR 53 H TYR 53 42.504 67.475 -36.261 422 HA TYR 53 HA TYR 53 40.078 69.198 -36.614 423 1HB TYR 53 2HB TYR 53 40.461 69.131 -39.036 424 2HB TYR 53 1HB TYR 53 41.893 68.126 -38.798 425 HD1 TYR 53 HD1 TYR 53 40.886 70.895 -36.558 426 HD2 TYR 53 HD2 TYR 53 43.519 69.663 -39.720 427 HE1 TYR 53 HE1 TYR 53 42.255 72.935 -36.213 428 HE2 TYR 53 HE2 TYR 53 44.890 71.700 -39.373 429 HH TYR 53 HH TYR 53 45.250 73.469 -38.053 430 H VAL 54 H VAL 54 40.920 66.248 -35.753 431 HA VAL 54 HA VAL 54 38.517 64.983 -36.964 432 HB VAL 54 HB VAL 54 39.745 63.025 -37.665 433 1HG1 VAL 54 1HG1 VAL 54 39.914 65.377 -38.938 434 2HG1 VAL 54 2HG1 VAL 54 41.626 65.113 -38.619 435 3HG1 VAL 54 3HG1 VAL 54 40.706 63.922 -39.536 436 1HG2 VAL 54 1HG2 VAL 54 42.104 64.417 -36.407 437 2HG2 VAL 54 2HG2 VAL 54 41.332 62.947 -35.822 438 3HG2 VAL 54 3HG2 VAL 54 42.212 62.936 -37.351 439 H THR 55 H THR 55 39.266 62.398 -35.897 440 HA THR 55 HA THR 55 39.997 62.644 -33.157 441 HB THR 55 HB THR 55 37.924 63.907 -33.070 442 HG1 THR 55 HG1 THR 55 37.752 63.062 -31.169 443 1HG2 THR 55 1HG2 THR 55 36.808 62.673 -34.943 444 2HG2 THR 55 2HG2 THR 55 36.513 61.343 -33.824 445 3HG2 THR 55 3HG2 THR 55 35.782 62.919 -33.530 446 H GLU 56 H GLU 56 37.647 60.532 -32.644 447 HA GLU 56 HA GLU 56 37.836 58.201 -32.414 448 1HB GLU 56 1HB GLU 56 38.365 58.384 -35.369 449 2HB GLU 56 2HB GLU 56 37.777 56.978 -34.502 450 1HG GLU 56 1HG GLU 56 36.251 59.530 -34.225 451 2HG GLU 56 2HG GLU 56 36.085 58.617 -35.725 452 H ALA 57 H ALA 57 39.877 57.245 -34.874 453 HA ALA 57 HA ALA 57 41.953 56.505 -33.045 454 1HB ALA 57 1HB ALA 57 41.264 55.947 -35.732 455 2HB ALA 57 2HB ALA 57 42.907 56.584 -35.759 456 3HB ALA 57 3HB ALA 57 42.523 55.177 -34.768 457 H GLU 58 H GLU 58 41.863 59.085 -32.424 458 HA GLU 58 HA GLU 58 43.531 60.796 -34.080 459 1HB GLU 58 2HB GLU 58 41.843 61.688 -32.482 460 2HB GLU 58 1HB GLU 58 43.454 62.340 -32.176 461 1HG GLU 58 1HG GLU 58 42.754 59.825 -30.751 462 2HG GLU 58 2HG GLU 58 43.667 61.224 -30.182 No H/Q in entry = 462 Start of MODEL 14 1 H1 LEU 1 H1 LEU 1 43.437 51.390 -36.802 2 H2 LEU 1 H2 LEU 1 44.780 50.872 -35.899 3 H3 LEU 1 H3 LEU 1 44.110 49.856 -37.080 4 HA LEU 1 HA LEU 1 42.866 48.927 -35.519 5 1HB LEU 1 1HB LEU 1 44.539 49.713 -33.881 6 2HB LEU 1 2HB LEU 1 43.690 51.254 -33.754 7 HG LEU 1 HG LEU 1 41.613 49.823 -33.152 8 1HD1 LEU 1 1HD1 LEU 1 43.864 47.852 -32.651 9 2HD1 LEU 1 2HD1 LEU 1 42.214 47.664 -32.056 10 3HD1 LEU 1 3HD1 LEU 1 42.534 47.651 -33.792 11 1HD2 LEU 1 1HD2 LEU 1 43.182 51.244 -31.626 12 2HD2 LEU 1 2HD2 LEU 1 42.111 50.069 -30.863 13 3HD2 LEU 1 3HD2 LEU 1 43.816 49.686 -31.098 14 H LYS 2 H LYS 2 42.398 52.445 -34.986 15 HA LYS 2 HA LYS 2 39.468 51.965 -35.312 16 1HB LYS 2 1HB LYS 2 41.040 54.064 -33.811 17 2HB LYS 2 2HB LYS 2 39.329 54.277 -34.186 18 1HG LYS 2 1HG LYS 2 38.800 52.169 -33.026 19 2HG LYS 2 2HG LYS 2 40.511 51.936 -32.661 20 1HD LYS 2 1HD LYS 2 40.363 54.294 -31.567 21 2HD LYS 2 2HD LYS 2 38.621 54.017 -31.577 22 1HE LYS 2 1HE LYS 2 38.799 52.120 -30.170 23 2HE LYS 2 2HE LYS 2 40.533 51.967 -30.457 24 1HZ LYS 2 1HZ LYS 2 39.603 54.479 -29.309 25 2HZ LYS 2 2HZ LYS 2 39.542 53.113 -28.299 26 3HZ LYS 2 3HZ LYS 2 41.017 53.593 -28.987 27 H LYS 3 H LYS 3 38.426 54.229 -36.090 28 HA LYS 3 HA LYS 3 39.967 55.030 -38.527 29 1HB LYS 3 1HB LYS 3 37.126 54.304 -38.081 30 2HB LYS 3 2HB LYS 3 37.409 55.680 -39.146 31 1HG LYS 3 1HG LYS 3 38.818 54.366 -40.595 32 2HG LYS 3 2HG LYS 3 38.817 53.016 -39.459 33 1HD LYS 3 1HD LYS 3 36.131 53.399 -39.846 34 2HD LYS 3 2HD LYS 3 36.776 53.809 -41.436 35 1HE LYS 3 1HE LYS 3 37.299 51.657 -41.887 36 2HE LYS 3 2HE LYS 3 38.035 51.425 -40.303 37 1HZ LYS 3 1HZ LYS 3 35.476 51.560 -39.626 38 2HZ LYS 3 2HZ LYS 3 35.317 50.895 -41.181 39 3HZ LYS 3 3HZ LYS 3 36.256 50.101 -40.013 40 H VAL 4 H VAL 4 40.913 56.937 -37.711 41 HA VAL 4 HA VAL 4 39.635 58.787 -35.982 42 HB VAL 4 HB VAL 4 42.092 58.727 -36.613 43 1HG1 VAL 4 1HG1 VAL 4 41.539 58.695 -39.114 44 2HG1 VAL 4 2HG1 VAL 4 41.227 60.424 -38.956 45 3HG1 VAL 4 3HG1 VAL 4 42.834 59.783 -38.615 46 1HG2 VAL 4 1HG2 VAL 4 40.483 61.273 -36.645 47 2HG2 VAL 4 2HG2 VAL 4 41.384 60.568 -35.303 48 3HG2 VAL 4 3HG2 VAL 4 42.246 61.293 -36.660 49 H VAL 5 H VAL 5 37.752 59.833 -36.439 50 HA VAL 5 HA VAL 5 37.011 60.365 -39.218 51 HB VAL 5 HB VAL 5 35.244 59.463 -37.932 52 1HG1 VAL 5 1HG1 VAL 5 36.510 61.076 -35.859 53 2HG1 VAL 5 2HG1 VAL 5 34.753 61.228 -35.836 54 3HG1 VAL 5 3HG1 VAL 5 35.502 59.638 -35.698 55 1HG2 VAL 5 1HG2 VAL 5 34.916 61.759 -39.258 56 2HG2 VAL 5 2HG2 VAL 5 33.595 61.028 -38.346 57 3HG2 VAL 5 3HG2 VAL 5 34.528 62.348 -37.642 58 H ALA 6 H ALA 6 37.150 62.323 -40.195 59 HA ALA 6 HA ALA 6 38.588 64.494 -39.179 60 1HB ALA 6 3HB ALA 6 38.210 64.854 -41.404 61 2HB ALA 6 1HB ALA 6 36.632 64.072 -41.363 62 3HB ALA 6 2HB ALA 6 36.801 65.746 -40.834 63 H LEU 7 H LEU 7 37.417 66.810 -38.975 64 HA LEU 7 HA LEU 7 34.968 66.622 -37.316 65 1HB LEU 7 1HB LEU 7 37.493 66.722 -36.130 66 2HB LEU 7 2HB LEU 7 36.942 68.389 -36.090 67 HG LEU 7 HG LEU 7 36.311 66.954 -34.089 68 1HD1 LEU 7 1HD1 LEU 7 35.065 69.061 -35.234 69 2HD1 LEU 7 2HD1 LEU 7 33.768 67.870 -35.329 70 3HD1 LEU 7 3HD1 LEU 7 34.471 68.286 -33.765 71 1HD2 LEU 7 1HD2 LEU 7 35.664 65.028 -35.762 72 2HD2 LEU 7 2HD2 LEU 7 34.724 65.256 -34.287 73 3HD2 LEU 7 3HD2 LEU 7 34.115 65.869 -35.825 74 H TYR 8 H TYR 8 37.501 69.048 -38.078 75 HA TYR 8 HA TYR 8 35.283 70.877 -38.893 76 1HB TYR 8 2HB TYR 8 36.608 72.703 -38.164 77 2HB TYR 8 1HB TYR 8 38.075 71.725 -38.122 78 HD1 TYR 8 HD1 TYR 8 34.745 72.209 -36.520 79 HD2 TYR 8 HD2 TYR 8 38.647 70.439 -36.195 80 HE1 TYR 8 HE1 TYR 8 34.283 71.622 -34.157 81 HE2 TYR 8 HE2 TYR 8 38.183 69.855 -33.831 82 HH TYR 8 HH TYR 8 35.802 71.190 -32.040 83 H ASP 9 H ASP 9 37.030 68.832 -40.483 84 HA ASP 9 HA ASP 9 37.698 68.757 -42.735 85 1HB ASP 9 1HB ASP 9 35.829 70.500 -42.952 86 2HB ASP 9 2HB ASP 9 37.106 71.714 -42.894 87 H TYR 10 H TYR 10 39.546 69.379 -44.040 88 HA TYR 10 HA TYR 10 41.419 71.387 -43.038 89 1HB TYR 10 1HB TYR 10 41.599 68.982 -41.773 90 2HB TYR 10 2HB TYR 10 42.670 68.701 -43.146 91 HD1 TYR 10 HD1 TYR 10 41.901 71.433 -40.681 92 HD2 TYR 10 HD2 TYR 10 44.903 69.291 -42.882 93 HE1 TYR 10 HE1 TYR 10 43.669 72.777 -39.577 94 HE2 TYR 10 HE2 TYR 10 46.671 70.634 -41.779 95 HH TYR 10 HH TYR 10 46.220 72.374 -39.048 96 H MET 11 H MET 11 43.674 70.767 -44.371 97 HA MET 11 HA MET 11 43.070 69.680 -47.009 98 1HB MET 11 1HB MET 11 44.000 71.960 -47.984 99 2HB MET 11 2HB MET 11 42.284 71.777 -47.621 100 1HG MET 11 1HG MET 11 42.480 72.957 -45.570 101 2HG MET 11 2HG MET 11 44.239 72.824 -45.571 102 1HE MET 11 1HE MET 11 41.450 73.449 -47.754 103 2HE MET 11 2HE MET 11 41.260 75.198 -47.681 104 3HE MET 11 3HE MET 11 42.107 74.468 -49.041 105 1HB PRO 12 1HB PRO 12 47.891 68.704 -49.587 106 2HB PRO 12 2HB PRO 12 47.045 67.455 -48.657 107 1HG PRO 12 2HG PRO 12 45.310 67.839 -50.134 108 2HG PRO 12 1HG PRO 12 45.930 69.435 -50.588 109 1HD PRO 12 1HD PRO 12 44.331 70.325 -49.200 110 2HD PRO 12 2HD PRO 12 43.953 68.730 -48.516 111 H MET 13 H MET 13 49.067 70.312 -46.558 112 HA MET 13 HA MET 13 49.215 72.738 -48.305 113 1HB MET 13 1HB MET 13 48.620 73.026 -45.800 114 2HB MET 13 2HB MET 13 50.306 72.605 -45.496 115 1HG MET 13 1HG MET 13 51.002 74.439 -47.039 116 2HG MET 13 2HG MET 13 49.307 74.896 -47.213 117 1HE MET 13 1HE MET 13 49.476 76.899 -46.797 118 2HE MET 13 2HE MET 13 48.843 77.426 -45.239 119 3HE MET 13 3HE MET 13 50.541 77.705 -45.647 120 H ASN 14 H ASN 14 50.855 69.977 -47.028 121 HA ASN 14 HA ASN 14 52.996 70.060 -48.848 122 1HB ASN 14 1HB ASN 14 53.787 72.088 -47.819 123 2HB ASN 14 2HB ASN 14 53.611 71.401 -46.203 124 2HD2 ASN 14 1HD2 ASN 14 55.167 69.715 -45.551 125 1HD2 ASN 14 2HD2 ASN 14 56.642 69.536 -46.372 126 H ALA 15 H ALA 15 51.833 69.172 -45.660 127 HA ALA 15 HA ALA 15 53.714 66.919 -45.442 128 1HB ALA 15 1HB ALA 15 51.591 68.129 -43.722 129 2HB ALA 15 2HB ALA 15 51.992 66.431 -43.458 130 3HB ALA 15 3HB ALA 15 53.241 67.667 -43.308 131 H ASN 16 H ASN 16 51.468 67.260 -47.577 132 HA ASN 16 HA ASN 16 50.075 65.790 -48.758 133 1HB ASN 16 1HB ASN 16 51.601 63.837 -47.024 134 2HB ASN 16 2HB ASN 16 50.405 63.315 -48.209 135 2HD2 ASN 16 1HD2 ASN 16 53.451 65.200 -47.926 136 1HD2 ASN 16 2HD2 ASN 16 53.951 64.919 -49.523 137 H ASP 17 H ASP 17 49.408 66.904 -45.941 138 HA ASP 17 HA ASP 17 47.776 65.145 -44.494 139 1HB ASP 17 2HB ASP 17 46.729 67.057 -43.565 140 2HB ASP 17 1HB ASP 17 46.954 67.997 -45.040 141 H LEU 18 H LEU 18 45.672 64.328 -44.778 142 HA LEU 18 HA LEU 18 44.614 64.462 -47.515 143 1HB LEU 18 1HB LEU 18 44.099 62.920 -45.041 144 2HB LEU 18 2HB LEU 18 42.678 63.216 -46.028 145 HG LEU 18 HG LEU 18 43.298 61.639 -47.518 146 1HD1 LEU 18 1HD1 LEU 18 45.894 63.134 -47.531 147 2HD1 LEU 18 2HD1 LEU 18 45.854 61.514 -48.223 148 3HD1 LEU 18 3HD1 LEU 18 44.804 62.774 -48.867 149 1HD2 LEU 18 1HD2 LEU 18 45.517 61.177 -45.514 150 2HD2 LEU 18 2HD2 LEU 18 43.895 60.490 -45.451 151 3HD2 LEU 18 3HD2 LEU 18 45.005 60.018 -46.734 152 H GLN 19 H GLN 19 42.895 65.679 -48.213 153 HA GLN 19 HA GLN 19 42.038 67.935 -46.654 154 1HB GLN 19 1HB GLN 19 41.975 67.935 -49.126 155 2HB GLN 19 2HB GLN 19 40.742 66.673 -49.095 156 1HG GLN 19 1HG GLN 19 39.155 68.130 -48.034 157 2HG GLN 19 2HG GLN 19 40.391 69.350 -47.726 158 2HE2 GLN 19 1HE2 GLN 19 38.788 67.647 -50.467 159 1HE2 GLN 19 2HE2 GLN 19 38.912 68.953 -51.545 160 H LEU 20 H LEU 20 40.736 67.768 -44.891 161 HA LEU 20 HA LEU 20 39.079 65.395 -44.504 162 1HB LEU 20 1HB LEU 20 39.337 67.898 -42.836 163 2HB LEU 20 2HB LEU 20 38.501 66.428 -42.351 164 HG LEU 20 HG LEU 20 41.425 66.953 -42.609 165 1HD1 LEU 20 1HD1 LEU 20 39.481 65.986 -40.669 166 2HD1 LEU 20 2HD1 LEU 20 40.893 64.933 -40.773 167 3HD1 LEU 20 3HD1 LEU 20 41.094 66.645 -40.404 168 1HD2 LEU 20 1HD2 LEU 20 40.058 64.368 -43.355 169 2HD2 LEU 20 2HD2 LEU 20 41.382 65.183 -44.177 170 3HD2 LEU 20 3HD2 LEU 20 41.672 64.355 -42.647 171 H ARG 21 H ARG 21 36.773 65.548 -43.989 172 HA ARG 21 HA ARG 21 35.392 67.883 -45.212 173 1HB ARG 21 1HB ARG 21 35.205 65.010 -46.029 174 2HB ARG 21 2HB ARG 21 33.727 65.972 -46.053 175 1HG ARG 21 1HG ARG 21 35.460 67.697 -47.251 176 2HG ARG 21 2HG ARG 21 36.121 66.150 -47.784 177 1HD ARG 21 1HD ARG 21 33.892 65.476 -48.601 178 2HD ARG 21 2HD ARG 21 33.229 67.022 -48.071 179 HE ARG 21 HE ARG 21 35.224 66.712 -50.275 180 1HH1 ARG 21 1HH1 ARG 21 35.226 69.418 -49.049 181 2HH1 ARG 21 2HH1 ARG 21 34.037 70.258 -49.987 182 1HH2 ARG 21 1HH2 ARG 21 32.629 67.367 -51.283 183 2HH2 ARG 21 2HH2 ARG 21 32.568 69.098 -51.252 184 H LYS 22 H LYS 22 35.908 66.964 -42.494 185 HA LYS 22 HA LYS 22 34.782 66.378 -40.497 186 1HB LYS 22 1HB LYS 22 32.682 68.248 -41.602 187 2HB LYS 22 2HB LYS 22 33.211 68.062 -39.931 188 1HG LYS 22 1HG LYS 22 35.160 69.264 -40.270 189 2HG LYS 22 2HG LYS 22 35.216 68.901 -41.993 190 1HD LYS 22 2HD LYS 22 33.172 70.342 -42.286 191 2HD LYS 22 1HD LYS 22 34.598 71.228 -41.747 192 1HE LYS 22 1HE LYS 22 32.040 70.908 -40.423 193 2HE LYS 22 2HE LYS 22 33.343 70.312 -39.397 194 1HZ LYS 22 1HZ LYS 22 34.520 72.460 -40.010 195 2HZ LYS 22 2HZ LYS 22 33.013 73.006 -40.563 196 3HZ LYS 22 3HZ LYS 22 33.212 72.575 -38.932 197 H GLY 23 H GLY 23 34.061 64.227 -40.649 198 1HA GLY 23 1HA GLY 23 31.651 63.291 -40.257 199 2HA GLY 23 2HA GLY 23 31.396 63.801 -41.927 200 H ASP 24 H ASP 24 33.175 62.936 -43.481 201 HA ASP 24 HA ASP 24 33.081 60.110 -43.521 202 1HB ASP 24 2HB ASP 24 34.652 60.211 -45.305 203 2HB ASP 24 1HB ASP 24 35.349 61.717 -44.712 204 H GLU 25 H GLU 25 34.215 58.606 -42.355 205 HA GLU 25 HA GLU 25 36.185 59.599 -40.435 206 1HB GLU 25 2HB GLU 25 36.124 57.398 -39.467 207 2HB GLU 25 1HB GLU 25 35.348 56.732 -40.905 208 1HG GLU 25 1HG GLU 25 34.136 58.007 -38.613 209 2HG GLU 25 2HG GLU 25 33.741 58.906 -40.077 210 H TYR 26 H TYR 26 38.332 58.559 -40.219 211 HA TYR 26 HA TYR 26 39.401 57.677 -42.870 212 1HB TYR 26 2HB TYR 26 41.371 58.962 -42.511 213 2HB TYR 26 1HB TYR 26 40.984 59.222 -40.810 214 HD1 TYR 26 HD1 TYR 26 38.646 59.441 -43.690 215 HD2 TYR 26 HD2 TYR 26 40.860 61.614 -40.721 216 HE1 TYR 26 HE1 TYR 26 37.427 61.507 -44.300 217 HE2 TYR 26 HE2 TYR 26 39.638 63.679 -41.328 218 HH TYR 26 HH TYR 26 37.776 63.945 -44.158 219 H PHE 27 H PHE 27 41.120 56.127 -42.778 220 HA PHE 27 HA PHE 27 41.182 54.574 -40.230 221 1HB PHE 27 1HB PHE 27 40.524 53.626 -42.649 222 2HB PHE 27 2HB PHE 27 42.275 53.469 -42.783 223 HD1 PHE 27 HD1 PHE 27 43.455 52.443 -40.619 224 HD2 PHE 27 HD2 PHE 27 39.336 51.868 -41.689 225 HE1 PHE 27 HE1 PHE 27 43.380 50.394 -39.223 226 HE2 PHE 27 HE2 PHE 27 39.259 49.819 -40.293 227 HZ PHE 27 HZ PHE 27 41.282 49.082 -39.060 228 H ILE 28 H ILE 28 43.093 54.457 -39.135 229 HA ILE 28 HA ILE 28 45.325 56.042 -40.144 230 HB ILE 28 HB ILE 28 45.318 54.344 -37.657 231 1HG1 ILE 28 2HG1 ILE 28 44.578 56.607 -36.610 232 2HG1 ILE 28 1HG1 ILE 28 43.346 55.609 -37.382 233 1HG2 ILE 28 1HG2 ILE 28 47.034 56.378 -38.886 234 2HG2 ILE 28 2HG2 ILE 28 46.617 56.751 -37.214 235 3HG2 ILE 28 3HG2 ILE 28 47.405 55.222 -37.607 236 1HD1 ILE 28 1HD1 ILE 28 44.802 57.633 -39.048 237 2HD1 ILE 28 2HD1 ILE 28 43.154 57.027 -39.214 238 3HD1 ILE 28 3HD1 ILE 28 43.542 58.194 -37.951 239 H LEU 29 H LEU 29 46.250 54.972 -41.875 240 HA LEU 29 HA LEU 29 46.935 52.186 -41.867 241 1HB LEU 29 1HB LEU 29 47.866 54.602 -43.437 242 2HB LEU 29 2HB LEU 29 48.488 52.981 -43.747 243 HG LEU 29 HG LEU 29 46.684 53.292 -45.264 244 1HD1 LEU 29 1HD1 LEU 29 46.710 51.229 -43.533 245 2HD1 LEU 29 2HD1 LEU 29 45.119 51.895 -43.168 246 3HD1 LEU 29 3HD1 LEU 29 45.505 51.382 -44.810 247 1HD2 LEU 29 1HD2 LEU 29 45.705 55.254 -44.076 248 2HD2 LEU 29 2HD2 LEU 29 44.491 54.102 -44.623 249 3HD2 LEU 29 3HD2 LEU 29 44.964 54.139 -42.928 250 H GLU 30 H GLU 30 48.136 54.838 -40.134 251 HA GLU 30 HA GLU 30 50.202 53.368 -38.849 252 1HB GLU 30 1HB GLU 30 50.995 54.218 -41.392 253 2HB GLU 30 2HB GLU 30 51.683 55.420 -40.299 254 1HG GLU 30 1HG GLU 30 52.131 52.983 -39.007 255 2HG GLU 30 2HG GLU 30 52.461 52.642 -40.706 256 H GLU 31 H GLU 31 51.555 54.903 -37.443 257 HA GLU 31 HA GLU 31 50.038 57.441 -36.966 258 1HB GLU 31 1HB GLU 31 50.640 55.208 -35.165 259 2HB GLU 31 2HB GLU 31 51.164 56.764 -34.520 260 1HG GLU 31 1HG GLU 31 49.037 57.305 -34.032 261 2HG GLU 31 2HG GLU 31 48.576 57.089 -35.720 262 H SER 32 H SER 32 51.588 58.734 -35.214 263 HA SER 32 HA SER 32 54.431 58.520 -35.861 264 1HB SER 32 1HB SER 32 54.217 61.086 -36.641 265 2HB SER 32 2HB SER 32 54.154 59.747 -37.782 266 HG SER 32 HG SER 32 52.393 61.394 -37.815 267 H ASN 33 H ASN 33 55.287 61.024 -35.101 268 HA ASN 33 HA ASN 33 54.520 61.038 -32.247 269 1HB ASN 33 1HB ASN 33 56.848 61.857 -33.836 270 2HB ASN 33 2HB ASN 33 56.408 63.031 -32.595 271 2HD2 ASN 33 1HD2 ASN 33 57.781 62.609 -30.847 272 1HD2 ASN 33 2HD2 ASN 33 58.050 61.071 -30.181 273 H LEU 34 H LEU 34 53.913 62.848 -35.128 274 HA LEU 34 HA LEU 34 53.210 65.333 -33.758 275 1HB LEU 34 1HB LEU 34 52.107 64.795 -36.467 276 2HB LEU 34 2HB LEU 34 52.944 66.220 -35.855 277 HG LEU 34 HG LEU 34 54.948 64.360 -35.771 278 1HD1 LEU 34 1HD1 LEU 34 53.372 62.745 -36.928 279 2HD1 LEU 34 2HD1 LEU 34 53.405 63.825 -38.323 280 3HD1 LEU 34 3HD1 LEU 34 54.887 63.037 -37.782 281 1HD2 LEU 34 1HD2 LEU 34 54.180 66.653 -37.347 282 2HD2 LEU 34 2HD2 LEU 34 55.800 66.100 -36.922 283 3HD2 LEU 34 3HD2 LEU 34 55.010 65.482 -38.372 284 1HB PRO 35 1HB PRO 35 47.630 66.676 -34.087 285 2HB PRO 35 2HB PRO 35 48.606 66.766 -32.611 286 1HG PRO 35 2HG PRO 35 49.851 68.326 -33.768 287 2HG PRO 35 1HG PRO 35 49.236 67.782 -35.337 288 1HD PRO 35 1HD PRO 35 51.212 66.668 -35.627 289 2HD PRO 35 2HD PRO 35 51.711 66.999 -33.954 290 H TRP 36 H TRP 36 49.853 64.905 -36.326 291 HA TRP 36 HA TRP 36 47.264 63.745 -37.235 292 1HB TRP 36 1HB TRP 36 48.502 64.144 -39.552 293 2HB TRP 36 2HB TRP 36 47.717 65.481 -38.715 294 HD1 TRP 36 HD1 TRP 36 51.204 63.884 -39.112 295 HE1 TRP 36 HE1 TRP 36 52.977 65.720 -38.754 296 HE3 TRP 36 HE3 TRP 36 48.181 67.789 -37.812 297 HZ2 TRP 36 HZ2 TRP 36 53.098 68.482 -38.015 298 HZ3 TRP 36 HZ3 TRP 36 49.149 70.009 -37.288 299 HH2 TRP 36 HH2 TRP 36 51.602 70.360 -37.387 300 H TRP 37 H TRP 37 47.443 61.897 -38.835 301 HA TRP 37 HA TRP 37 49.891 60.261 -38.267 302 1HB TRP 37 1HB TRP 37 47.178 59.030 -38.708 303 2HB TRP 37 2HB TRP 37 48.599 58.324 -37.939 304 HD1 TRP 37 HD1 TRP 37 45.388 59.521 -36.984 305 HE1 TRP 37 HE1 TRP 37 45.338 60.401 -34.562 306 HE3 TRP 37 HE3 TRP 37 50.396 60.028 -36.127 307 HZ2 TRP 37 HZ2 TRP 37 47.180 61.213 -32.529 308 HZ3 TRP 37 HZ3 TRP 37 51.220 60.857 -33.942 309 HH2 TRP 37 HH2 TRP 37 49.620 61.450 -32.143 310 H ARG 38 H ARG 38 49.029 58.118 -39.956 311 HA ARG 38 HA ARG 38 49.108 59.460 -42.630 312 1HB ARG 38 1HB ARG 38 50.874 57.458 -41.435 313 2HB ARG 38 2HB ARG 38 50.177 56.893 -42.954 314 1HG ARG 38 1HG ARG 38 50.815 59.337 -43.769 315 2HG ARG 38 2HG ARG 38 51.981 59.228 -42.450 316 1HD ARG 38 2HD ARG 38 52.813 57.084 -43.394 317 2HD ARG 38 1HD ARG 38 53.002 58.422 -44.526 318 HE ARG 38 HE ARG 38 50.751 56.458 -44.719 319 1HH1 ARG 38 1HH1 ARG 38 49.975 58.199 -46.629 320 2HH1 ARG 38 2HH1 ARG 38 50.991 57.971 -48.013 321 1HH2 ARG 38 1HH2 ARG 38 53.458 56.285 -46.253 322 2HH2 ARG 38 2HH2 ARG 38 52.963 56.888 -47.801 323 H ALA 39 H ALA 39 46.746 59.288 -42.470 324 HA ALA 39 HA ALA 39 45.745 56.487 -42.757 325 1HB ALA 39 3HB ALA 39 44.696 57.594 -40.901 326 2HB ALA 39 2HB ALA 39 43.510 57.591 -42.204 327 3HB ALA 39 1HB ALA 39 44.422 59.056 -41.844 328 H ARG 40 H ARG 40 43.702 56.403 -44.146 329 HA ARG 40 HA ARG 40 44.065 58.097 -46.587 330 1HB ARG 40 1HB ARG 40 44.602 55.764 -47.083 331 2HB ARG 40 2HB ARG 40 43.104 55.226 -46.323 332 1HG ARG 40 1HG ARG 40 41.991 56.875 -48.062 333 2HG ARG 40 2HG ARG 40 43.500 56.627 -48.943 334 1HD ARG 40 1HD ARG 40 42.039 54.931 -49.745 335 2HD ARG 40 2HD ARG 40 43.100 54.114 -48.598 336 HE ARG 40 HE ARG 40 40.248 54.807 -48.113 337 1HH1 ARG 40 1HH1 ARG 40 41.071 54.989 -45.491 338 2HH1 ARG 40 2HH1 ARG 40 41.327 53.371 -44.928 339 1HH2 ARG 40 1HH2 ARG 40 41.508 52.008 -48.111 340 2HH2 ARG 40 2HH2 ARG 40 41.573 51.683 -46.411 341 H ASP 41 H ASP 41 42.484 59.646 -46.310 342 HA ASP 41 HA ASP 41 40.100 59.314 -44.826 343 1HB ASP 41 1HB ASP 41 39.256 61.294 -46.101 344 2HB ASP 41 2HB ASP 41 40.871 61.527 -45.432 345 H LYS 42 H LYS 42 37.842 59.647 -46.032 346 HA LYS 42 HA LYS 42 37.348 57.189 -47.463 347 1HB LYS 42 1HB LYS 42 35.721 59.560 -46.647 348 2HB LYS 42 2HB LYS 42 35.066 58.486 -47.882 349 1HG LYS 42 1HG LYS 42 36.162 57.435 -45.270 350 2HG LYS 42 2HG LYS 42 34.475 57.918 -45.448 351 1HD LYS 42 1HD LYS 42 35.448 56.180 -47.615 352 2HD LYS 42 2HD LYS 42 35.452 55.412 -46.026 353 1HE LYS 42 2HE LYS 42 33.036 56.620 -45.935 354 2HE LYS 42 1HE LYS 42 33.264 54.986 -46.556 355 1HZ LYS 42 1HZ LYS 42 33.839 56.764 -48.622 356 2HZ LYS 42 2HZ LYS 42 32.535 55.681 -48.508 357 3HZ LYS 42 3HZ LYS 42 32.378 57.271 -47.928 358 H ASN 43 H ASN 43 38.676 60.073 -48.514 359 HA ASN 43 HA ASN 43 37.394 60.146 -51.145 360 1HB ASN 43 1HB ASN 43 38.642 62.054 -49.734 361 2HB ASN 43 2HB ASN 43 40.023 61.475 -50.667 362 2HD2 ASN 43 1HD2 ASN 43 39.299 64.017 -51.307 363 1HD2 ASN 43 2HD2 ASN 43 38.436 64.075 -52.768 364 H GLY 44 H GLY 44 39.316 57.902 -49.847 365 1HA GLY 44 1HA GLY 44 40.668 56.236 -50.789 366 2HA GLY 44 2HA GLY 44 40.182 56.847 -52.372 367 H GLN 45 H GLN 45 41.900 58.549 -49.743 368 HA GLN 45 HA GLN 45 44.307 58.651 -51.475 369 1HB GLN 45 1HB GLN 45 42.735 60.713 -51.719 370 2HB GLN 45 2HB GLN 45 43.290 61.133 -50.098 371 1HG GLN 45 1HG GLN 45 45.619 61.110 -50.858 372 2HG GLN 45 2HG GLN 45 45.105 60.616 -52.472 373 2HE2 GLN 45 1HE2 GLN 45 46.467 62.905 -52.616 374 1HE2 GLN 45 2HE2 GLN 45 45.461 64.268 -52.730 375 H GLU 46 H GLU 46 46.082 58.240 -50.261 376 HA GLU 46 HA GLU 46 45.801 58.120 -47.325 377 1HB GLU 46 2HB GLU 46 47.771 56.834 -47.337 378 2HB GLU 46 1HB GLU 46 48.341 57.552 -48.846 379 1HG GLU 46 1HG GLU 46 45.983 55.664 -48.537 380 2HG GLU 46 2HG GLU 46 46.478 56.423 -50.050 381 H GLY 47 H GLY 47 46.697 59.662 -45.965 382 1HA GLY 47 1HA GLY 47 48.845 61.400 -46.856 383 2HA GLY 47 2HA GLY 47 47.291 62.222 -46.823 384 H TYR 48 H TYR 48 48.386 63.563 -45.176 385 HA TYR 48 HA TYR 48 48.737 62.265 -42.545 386 1HB TYR 48 1HB TYR 48 49.445 64.962 -43.673 387 2HB TYR 48 2HB TYR 48 49.412 64.705 -41.929 388 HD1 TYR 48 HD1 TYR 48 50.548 62.698 -44.897 389 HD2 TYR 48 HD2 TYR 48 51.520 64.306 -41.034 390 HE1 TYR 48 HE1 TYR 48 52.780 61.623 -45.011 391 HE2 TYR 48 HE2 TYR 48 53.753 63.231 -41.149 392 HH TYR 48 HH TYR 48 54.568 60.955 -43.668 393 H ILE 49 H ILE 49 46.874 62.027 -41.420 394 HA ILE 49 HA ILE 49 44.795 64.142 -41.624 395 HB ILE 49 HB ILE 49 44.734 61.321 -40.626 396 1HG1 ILE 49 2HG1 ILE 49 43.549 62.715 -43.019 397 2HG1 ILE 49 1HG1 ILE 49 43.068 61.094 -42.511 398 1HG2 ILE 49 1HG2 ILE 49 43.231 63.132 -39.438 399 2HG2 ILE 49 2HG2 ILE 49 42.269 62.991 -40.910 400 3HG2 ILE 49 3HG2 ILE 49 42.540 61.575 -39.895 401 1HD1 ILE 49 1HD1 ILE 49 45.813 60.915 -42.474 402 2HD1 ILE 49 2HD1 ILE 49 44.796 60.395 -43.815 403 3HD1 ILE 49 3HD1 ILE 49 45.540 61.994 -43.842 404 1HB PRO 50 1HB PRO 50 44.300 67.392 -37.252 405 2HB PRO 50 2HB PRO 50 45.731 67.604 -38.275 406 1HG PRO 50 2HG PRO 50 44.191 67.969 -39.961 407 2HG PRO 50 1HG PRO 50 42.897 67.136 -39.083 408 1HD PRO 50 1HD PRO 50 43.289 65.341 -40.467 409 2HD PRO 50 2HD PRO 50 44.802 66.053 -41.067 410 H SER 51 H SER 51 45.433 65.450 -35.394 411 HA SER 51 HA SER 51 43.052 63.695 -35.034 412 1HB SER 51 1HB SER 51 45.517 64.171 -33.359 413 2HB SER 51 2HB SER 51 44.093 63.360 -32.715 414 HG SER 51 HG SER 51 45.302 62.574 -35.146 415 H ASN 52 H ASN 52 44.512 66.751 -34.069 416 HA ASN 52 HA ASN 52 42.590 67.353 -31.993 417 1HB ASN 52 1HB ASN 52 43.452 69.710 -32.290 418 2HB ASN 52 2HB ASN 52 44.708 68.511 -31.978 419 2HD2 ASN 52 1HD2 ASN 52 45.880 70.530 -33.153 420 1HD2 ASN 52 2HD2 ASN 52 46.055 70.355 -34.832 421 H TYR 53 H TYR 53 42.322 67.231 -35.364 422 HA TYR 53 HA TYR 53 39.896 68.986 -35.248 423 1HB TYR 53 1HB TYR 53 42.154 68.927 -37.147 424 2HB TYR 53 2HB TYR 53 40.564 68.935 -37.909 425 HD1 TYR 53 HD1 TYR 53 41.919 70.510 -34.783 426 HD2 TYR 53 HD2 TYR 53 40.001 71.094 -38.581 427 HE1 TYR 53 HE1 TYR 53 41.694 72.931 -34.296 428 HE2 TYR 53 HE2 TYR 53 39.776 73.516 -38.095 429 HH TYR 53 HH TYR 53 41.185 74.940 -35.167 430 H VAL 54 H VAL 54 40.126 66.102 -34.750 431 HA VAL 54 HA VAL 54 38.136 65.176 -36.737 432 HB VAL 54 HB VAL 54 39.356 63.176 -37.294 433 1HG1 VAL 54 1HG1 VAL 54 39.916 65.472 -38.380 434 2HG1 VAL 54 2HG1 VAL 54 41.433 65.332 -37.494 435 3HG1 VAL 54 3HG1 VAL 54 40.988 64.105 -38.681 436 1HG2 VAL 54 1HG2 VAL 54 41.195 64.196 -35.149 437 2HG2 VAL 54 2HG2 VAL 54 40.467 62.599 -35.312 438 3HG2 VAL 54 3HG2 VAL 54 41.784 63.080 -36.381 439 H THR 55 H THR 55 38.664 62.411 -35.760 440 HA THR 55 HA THR 55 38.166 62.437 -32.925 441 HB THR 55 HB THR 55 35.955 62.543 -34.882 442 HG1 THR 55 HG1 THR 55 36.364 63.276 -32.192 443 1HG2 THR 55 1HG2 THR 55 35.792 60.206 -33.913 444 2HG2 THR 55 2HG2 THR 55 35.614 60.955 -32.329 445 3HG2 THR 55 3HG2 THR 55 34.406 61.238 -33.580 446 H GLU 56 H GLU 56 37.177 59.988 -32.468 447 HA GLU 56 HA GLU 56 37.662 57.722 -32.574 448 1HB GLU 56 1HB GLU 56 37.908 58.412 -35.484 449 2HB GLU 56 2HB GLU 56 38.052 56.771 -34.873 450 1HG GLU 56 1HG GLU 56 35.687 58.346 -33.983 451 2HG GLU 56 2HG GLU 56 35.697 57.783 -35.654 452 H ALA 57 H ALA 57 39.825 57.255 -35.020 453 HA ALA 57 HA ALA 57 42.013 56.853 -33.240 454 1HB ALA 57 1HB ALA 57 41.438 56.404 -35.994 455 2HB ALA 57 2HB ALA 57 42.979 57.254 -35.897 456 3HB ALA 57 3HB ALA 57 42.757 55.732 -35.036 457 H GLU 58 H GLU 58 41.582 59.259 -32.367 458 HA GLU 58 HA GLU 58 42.887 61.363 -33.927 459 1HB GLU 58 2HB GLU 58 41.027 61.790 -32.286 460 2HB GLU 58 1HB GLU 58 42.462 62.773 -31.998 461 1HG GLU 58 1HG GLU 58 42.908 60.407 -30.559 462 2HG GLU 58 2HG GLU 58 42.464 61.976 -29.886 No H/Q in entry = 462 Start of MODEL 15 1 H1 LEU 1 H1 LEU 1 44.110 48.879 -34.961 2 H2 LEU 1 H2 LEU 1 44.895 48.051 -36.220 3 H3 LEU 1 H3 LEU 1 45.506 49.537 -35.667 4 HA LEU 1 HA LEU 1 44.427 50.321 -37.473 5 1HB LEU 1 1HB LEU 1 43.707 47.849 -37.920 6 2HB LEU 1 2HB LEU 1 42.178 48.339 -37.189 7 HG LEU 1 HG LEU 1 42.264 50.339 -38.830 8 1HD1 LEU 1 1HD1 LEU 1 44.740 49.568 -39.387 9 2HD1 LEU 1 2HD1 LEU 1 43.919 48.509 -40.533 10 3HD1 LEU 1 3HD1 LEU 1 43.713 50.258 -40.644 11 1HD2 LEU 1 1HD2 LEU 1 41.594 47.489 -39.329 12 2HD2 LEU 1 2HD2 LEU 1 40.569 48.922 -39.434 13 3HD2 LEU 1 3HD2 LEU 1 41.664 48.521 -40.758 14 H LYS 2 H LYS 2 43.186 52.146 -37.284 15 HA LYS 2 HA LYS 2 41.054 52.159 -35.189 16 1HB LYS 2 2HB LYS 2 41.794 54.212 -34.314 17 2HB LYS 2 1HB LYS 2 42.757 54.581 -35.744 18 1HG LYS 2 1HG LYS 2 43.400 52.186 -34.028 19 2HG LYS 2 2HG LYS 2 44.456 53.066 -35.135 20 1HD LYS 2 1HD LYS 2 43.977 55.088 -33.513 21 2HD LYS 2 2HD LYS 2 43.579 53.809 -32.364 22 1HE LYS 2 1HE LYS 2 45.775 52.794 -32.667 23 2HE LYS 2 2HE LYS 2 46.176 53.969 -33.920 24 1HZ LYS 2 1HZ LYS 2 45.308 55.289 -31.575 25 2HZ LYS 2 2HZ LYS 2 46.572 54.223 -31.196 26 3HZ LYS 2 3HZ LYS 2 46.796 55.416 -32.386 27 H LYS 3 H LYS 3 39.941 54.580 -35.569 28 HA LYS 3 HA LYS 3 39.570 55.029 -38.470 29 1HB LYS 3 1HB LYS 3 37.454 53.976 -36.601 30 2HB LYS 3 2HB LYS 3 37.009 54.952 -38.002 31 1HG LYS 3 1HG LYS 3 37.993 53.390 -39.521 32 2HG LYS 3 2HG LYS 3 38.797 52.523 -38.213 33 1HD LYS 3 1HD LYS 3 36.696 51.711 -37.357 34 2HD LYS 3 2HD LYS 3 35.787 52.747 -38.458 35 1HE LYS 3 1HE LYS 3 37.642 51.148 -39.971 36 2HE LYS 3 2HE LYS 3 36.683 50.099 -38.928 37 1HZ LYS 3 1HZ LYS 3 35.346 52.235 -40.436 38 2HZ LYS 3 2HZ LYS 3 35.788 50.808 -41.246 39 3HZ LYS 3 3HZ LYS 3 34.736 50.736 -39.919 40 H VAL 4 H VAL 4 40.770 56.927 -37.311 41 HA VAL 4 HA VAL 4 39.276 58.720 -35.621 42 HB VAL 4 HB VAL 4 41.623 59.024 -35.622 43 1HG1 VAL 4 1HG1 VAL 4 41.336 58.835 -38.604 44 2HG1 VAL 4 2HG1 VAL 4 42.773 59.567 -37.892 45 3HG1 VAL 4 3HG1 VAL 4 42.361 57.891 -37.529 46 1HG2 VAL 4 1HG2 VAL 4 39.975 61.134 -36.442 47 2HG2 VAL 4 2HG2 VAL 4 41.589 61.270 -35.746 48 3HG2 VAL 4 3HG2 VAL 4 41.385 61.230 -37.497 49 H VAL 5 H VAL 5 37.444 59.747 -36.301 50 HA VAL 5 HA VAL 5 36.999 60.235 -39.157 51 HB VAL 5 HB VAL 5 35.105 59.345 -38.059 52 1HG1 VAL 5 1HG1 VAL 5 36.143 60.994 -35.880 53 2HG1 VAL 5 2HG1 VAL 5 34.390 61.103 -36.032 54 3HG1 VAL 5 3HG1 VAL 5 35.161 59.532 -35.809 55 1HG2 VAL 5 1HG2 VAL 5 34.613 61.279 -39.545 56 2HG2 VAL 5 2HG2 VAL 5 33.445 61.145 -38.228 57 3HG2 VAL 5 3HG2 VAL 5 34.726 62.354 -38.150 58 H ALA 6 H ALA 6 37.128 62.204 -40.135 59 HA ALA 6 HA ALA 6 38.491 64.384 -39.026 60 1HB ALA 6 3HB ALA 6 38.213 64.366 -41.389 61 2HB ALA 6 2HB ALA 6 37.235 65.730 -40.850 62 3HB ALA 6 1HB ALA 6 36.462 64.201 -41.266 63 H LEU 7 H LEU 7 37.376 66.680 -38.976 64 HA LEU 7 HA LEU 7 34.768 66.660 -37.567 65 1HB LEU 7 1HB LEU 7 37.169 66.735 -36.130 66 2HB LEU 7 2HB LEU 7 36.698 68.419 -36.253 67 HG LEU 7 HG LEU 7 35.812 67.129 -34.239 68 1HD1 LEU 7 1HD1 LEU 7 34.559 69.036 -36.003 69 2HD1 LEU 7 2HD1 LEU 7 33.324 68.020 -35.257 70 3HD1 LEU 7 3HD1 LEU 7 34.452 68.923 -34.245 71 1HD2 LEU 7 1HD2 LEU 7 35.158 65.194 -35.957 72 2HD2 LEU 7 2HD2 LEU 7 34.214 65.480 -34.495 73 3HD2 LEU 7 3HD2 LEU 7 33.656 66.115 -36.043 74 H TYR 8 H TYR 8 37.530 68.768 -38.367 75 HA TYR 8 HA TYR 8 35.576 70.723 -39.506 76 1HB TYR 8 2HB TYR 8 36.997 72.494 -38.779 77 2HB TYR 8 1HB TYR 8 38.325 71.383 -38.437 78 HD1 TYR 8 HD1 TYR 8 34.736 71.977 -37.488 79 HD2 TYR 8 HD2 TYR 8 38.621 70.637 -36.234 80 HE1 TYR 8 HE1 TYR 8 33.893 71.691 -35.176 81 HE2 TYR 8 HE2 TYR 8 37.775 70.352 -33.923 82 HH TYR 8 HH TYR 8 34.368 70.666 -33.162 83 H ASP 9 H ASP 9 35.949 71.385 -41.608 84 HA ASP 9 HA ASP 9 37.462 69.834 -43.384 85 1HB ASP 9 1HB ASP 9 35.786 71.290 -44.277 86 2HB ASP 9 2HB ASP 9 36.556 72.714 -43.579 87 H TYR 10 H TYR 10 39.604 69.713 -43.866 88 HA TYR 10 HA TYR 10 41.354 72.025 -43.192 89 1HB TYR 10 1HB TYR 10 41.232 69.755 -41.589 90 2HB TYR 10 2HB TYR 10 42.623 69.450 -42.630 91 HD1 TYR 10 HD1 TYR 10 41.092 72.345 -40.792 92 HD2 TYR 10 HD2 TYR 10 44.672 70.233 -41.870 93 HE1 TYR 10 HE1 TYR 10 42.439 73.951 -39.463 94 HE2 TYR 10 HE2 TYR 10 46.020 71.839 -40.543 95 HH TYR 10 HH TYR 10 44.822 74.780 -39.453 96 H MET 11 H MET 11 42.727 72.432 -44.883 97 HA MET 11 HA MET 11 42.816 70.465 -47.073 98 1HB MET 11 1HB MET 11 43.115 73.381 -46.834 99 2HB MET 11 2HB MET 11 44.262 72.630 -47.944 100 1HG MET 11 1HG MET 11 42.500 71.649 -49.239 101 2HG MET 11 2HG MET 11 41.291 72.061 -48.024 102 1HE MET 11 1HE MET 11 41.041 72.304 -50.770 103 2HE MET 11 2HE MET 11 39.879 73.594 -50.470 104 3HE MET 11 3HE MET 11 41.212 73.863 -51.589 105 1HB PRO 12 1HB PRO 12 47.937 69.105 -48.945 106 2HB PRO 12 2HB PRO 12 46.822 67.934 -48.219 107 1HG PRO 12 2HG PRO 12 45.418 68.524 -49.958 108 2HG PRO 12 1HG PRO 12 46.263 70.055 -50.240 109 1HD PRO 12 1HD PRO 12 44.545 71.082 -49.115 110 2HD PRO 12 2HD PRO 12 43.895 69.522 -48.566 111 H MET 13 H MET 13 48.337 70.856 -45.471 112 HA MET 13 HA MET 13 49.416 72.950 -47.316 113 1HB MET 13 1HB MET 13 49.707 74.279 -45.101 114 2HB MET 13 2HB MET 13 48.091 74.176 -45.802 115 1HG MET 13 1HG MET 13 47.427 72.471 -44.266 116 2HG MET 13 2HG MET 13 49.089 72.203 -43.738 117 1HE MET 13 1HE MET 13 49.881 72.917 -41.691 118 2HE MET 13 2HE MET 13 50.561 74.241 -42.648 119 3HE MET 13 3HE MET 13 49.824 74.568 -41.081 120 H ASN 14 H ASN 14 50.078 70.523 -44.904 121 HA ASN 14 HA ASN 14 52.835 71.368 -44.453 122 1HB ASN 14 1HB ASN 14 51.283 69.941 -42.904 123 2HB ASN 14 2HB ASN 14 51.817 68.591 -43.905 124 2HD2 ASN 14 1HD2 ASN 14 53.458 67.533 -42.776 125 1HD2 ASN 14 2HD2 ASN 14 54.749 68.306 -41.990 126 H ALA 15 H ALA 15 51.668 68.235 -45.733 127 HA ALA 15 HA ALA 15 53.542 68.525 -48.014 128 1HB ALA 15 1HB ALA 15 53.588 66.179 -46.091 129 2HB ALA 15 3HB ALA 15 54.844 67.409 -46.239 130 3HB ALA 15 2HB ALA 15 54.529 66.303 -47.577 131 H ASN 16 H ASN 16 51.705 65.804 -46.583 132 HA ASN 16 HA ASN 16 49.983 65.815 -49.018 133 1HB ASN 16 1HB ASN 16 52.045 64.006 -48.666 134 2HB ASN 16 2HB ASN 16 50.648 63.130 -48.036 135 2HD2 ASN 16 1HD2 ASN 16 51.129 65.412 -50.803 136 1HD2 ASN 16 2HD2 ASN 16 50.377 64.406 -51.946 137 H ASP 17 H ASP 17 49.356 66.754 -46.373 138 HA ASP 17 HA ASP 17 48.029 64.814 -44.769 139 1HB ASP 17 2HB ASP 17 46.847 66.705 -43.767 140 2HB ASP 17 1HB ASP 17 47.281 67.729 -45.136 141 H LEU 18 H LEU 18 45.807 64.117 -44.753 142 HA LEU 18 HA LEU 18 44.537 64.173 -47.397 143 1HB LEU 18 1HB LEU 18 44.197 62.736 -44.836 144 2HB LEU 18 2HB LEU 18 42.697 63.058 -45.689 145 HG LEU 18 HG LEU 18 43.108 61.411 -47.178 146 1HD1 LEU 18 1HD1 LEU 18 45.743 62.800 -47.497 147 2HD1 LEU 18 2HD1 LEU 18 45.579 61.161 -48.121 148 3HD1 LEU 18 3HD1 LEU 18 44.515 62.439 -48.707 149 1HD2 LEU 18 1HD2 LEU 18 45.479 60.932 -45.359 150 2HD2 LEU 18 2HD2 LEU 18 43.854 60.277 -45.166 151 3HD2 LEU 18 3HD2 LEU 18 44.858 59.762 -46.518 152 H GLN 19 H GLN 19 43.250 65.803 -48.033 153 HA GLN 19 HA GLN 19 42.462 67.979 -46.432 154 1HB GLN 19 1HB GLN 19 42.311 68.213 -48.811 155 2HB GLN 19 2HB GLN 19 41.234 66.822 -48.945 156 1HG GLN 19 1HG GLN 19 39.428 67.992 -47.925 157 2HG GLN 19 2HG GLN 19 40.487 69.281 -47.357 158 2HE2 GLN 19 1HE2 GLN 19 38.140 68.855 -49.566 159 1HE2 GLN 19 2HE2 GLN 19 38.703 69.846 -50.824 160 H LEU 20 H LEU 20 41.124 67.955 -44.672 161 HA LEU 20 HA LEU 20 39.376 65.690 -44.185 162 1HB LEU 20 1HB LEU 20 39.659 68.326 -42.734 163 2HB LEU 20 2HB LEU 20 38.642 67.001 -42.190 164 HG LEU 20 HG LEU 20 41.575 67.294 -42.088 165 1HD1 LEU 20 1HD1 LEU 20 39.317 66.368 -40.484 166 2HD1 LEU 20 2HD1 LEU 20 40.725 65.314 -40.353 167 3HD1 LEU 20 3HD1 LEU 20 40.867 67.028 -39.963 168 1HD2 LEU 20 1HD2 LEU 20 41.284 65.478 -43.808 169 2HD2 LEU 20 2HD2 LEU 20 42.052 64.919 -42.324 170 3HD2 LEU 20 3HD2 LEU 20 40.350 64.572 -42.620 171 H ARG 21 H ARG 21 37.094 65.763 -43.987 172 HA ARG 21 HA ARG 21 35.738 68.067 -45.278 173 1HB ARG 21 1HB ARG 21 36.102 65.520 -46.505 174 2HB ARG 21 2HB ARG 21 34.400 65.654 -46.063 175 1HG ARG 21 1HG ARG 21 35.676 68.039 -47.321 176 2HG ARG 21 2HG ARG 21 35.342 66.656 -48.363 177 1HD ARG 21 1HD ARG 21 32.987 66.720 -47.157 178 2HD ARG 21 2HD ARG 21 33.426 68.403 -46.862 179 HE ARG 21 HE ARG 21 32.505 67.397 -49.353 180 1HH1 ARG 21 1HH1 ARG 21 34.447 69.762 -47.848 181 2HH1 ARG 21 2HH1 ARG 21 34.942 70.513 -49.328 182 1HH2 ARG 21 1HH2 ARG 21 33.400 68.157 -51.351 183 2HH2 ARG 21 2HH2 ARG 21 34.350 69.604 -51.312 184 H LYS 22 H LYS 22 36.083 66.900 -42.572 185 HA LYS 22 HA LYS 22 34.822 66.310 -40.689 186 1HB LYS 22 2HB LYS 22 33.246 67.954 -40.185 187 2HB LYS 22 1HB LYS 22 32.683 68.063 -41.854 188 1HG LYS 22 1HG LYS 22 34.549 69.722 -40.618 189 2HG LYS 22 2HG LYS 22 35.516 68.657 -41.637 190 1HD LYS 22 1HD LYS 22 34.755 70.702 -42.851 191 2HD LYS 22 2HD LYS 22 34.141 69.219 -43.580 192 1HE LYS 22 1HE LYS 22 32.217 69.864 -41.673 193 2HE LYS 22 2HE LYS 22 32.671 71.425 -42.356 194 1HZ LYS 22 1HZ LYS 22 32.208 69.168 -44.171 195 2HZ LYS 22 2HZ LYS 22 30.864 69.954 -43.493 196 3HZ LYS 22 3HZ LYS 22 31.973 70.830 -44.431 197 H GLY 23 H GLY 23 34.077 64.216 -40.705 198 1HA GLY 23 1HA GLY 23 31.747 63.145 -40.573 199 2HA GLY 23 2HA GLY 23 31.560 63.687 -42.243 200 H ASP 24 H ASP 24 33.385 62.910 -43.749 201 HA ASP 24 HA ASP 24 33.445 60.108 -43.882 202 1HB ASP 24 1HB ASP 24 35.503 62.123 -44.839 203 2HB ASP 24 2HB ASP 24 35.528 60.416 -45.278 204 H GLU 25 H GLU 25 34.680 58.557 -42.797 205 HA GLU 25 HA GLU 25 36.299 59.598 -40.565 206 1HB GLU 25 2HB GLU 25 36.297 57.328 -39.721 207 2HB GLU 25 1HB GLU 25 35.706 56.707 -41.263 208 1HG GLU 25 1HG GLU 25 34.217 57.880 -39.041 209 2HG GLU 25 2HG GLU 25 33.854 58.676 -40.572 210 H TYR 26 H TYR 26 38.400 58.370 -40.111 211 HA TYR 26 HA TYR 26 39.853 57.887 -42.672 212 1HB TYR 26 1HB TYR 26 40.859 59.437 -40.268 213 2HB TYR 26 2HB TYR 26 41.780 59.101 -41.733 214 HD1 TYR 26 HD1 TYR 26 38.429 60.517 -40.735 215 HD2 TYR 26 HD2 TYR 26 41.800 60.724 -43.390 216 HE1 TYR 26 HE1 TYR 26 37.452 62.515 -41.843 217 HE2 TYR 26 HE2 TYR 26 40.812 62.716 -44.485 218 HH TYR 26 HH TYR 26 37.704 64.062 -43.383 219 H PHE 27 H PHE 27 41.132 56.098 -42.656 220 HA PHE 27 HA PHE 27 41.231 54.505 -40.148 221 1HB PHE 27 1HB PHE 27 42.032 53.590 -42.921 222 2HB PHE 27 2HB PHE 27 41.601 52.592 -41.532 223 HD1 PHE 27 HD1 PHE 27 39.238 54.355 -40.623 224 HD2 PHE 27 HD2 PHE 27 40.353 52.724 -44.437 225 HE1 PHE 27 HE1 PHE 27 36.862 54.391 -41.334 226 HE2 PHE 27 HE2 PHE 27 37.977 52.759 -45.148 227 HZ PHE 27 HZ PHE 27 36.232 53.594 -43.596 228 H ILE 28 H ILE 28 43.101 54.464 -39.043 229 HA ILE 28 HA ILE 28 45.438 55.809 -40.133 230 HB ILE 28 HB ILE 28 45.193 54.308 -37.528 231 1HG1 ILE 28 2HG1 ILE 28 44.702 56.708 -36.695 232 2HG1 ILE 28 1HG1 ILE 28 43.393 55.857 -37.512 233 1HG2 ILE 28 1HG2 ILE 28 47.362 55.543 -38.780 234 2HG2 ILE 28 2HG2 ILE 28 46.779 56.754 -37.638 235 3HG2 ILE 28 3HG2 ILE 28 47.237 55.151 -37.064 236 1HD1 ILE 28 1HD1 ILE 28 45.213 57.420 -39.270 237 2HD1 ILE 28 2HD1 ILE 28 43.461 57.237 -39.345 238 3HD1 ILE 28 3HD1 ILE 28 44.183 58.366 -38.199 239 H LEU 29 H LEU 29 46.502 54.780 -41.636 240 HA LEU 29 HA LEU 29 46.968 51.884 -41.518 241 1HB LEU 29 1HB LEU 29 47.871 52.174 -43.730 242 2HB LEU 29 2HB LEU 29 46.446 53.207 -43.629 243 HG LEU 29 HG LEU 29 48.647 54.732 -42.687 244 1HD1 LEU 29 1HD1 LEU 29 49.324 52.856 -44.847 245 2HD1 LEU 29 2HD1 LEU 29 49.654 54.542 -45.242 246 3HD1 LEU 29 3HD1 LEU 29 50.387 53.810 -43.814 247 1HD2 LEU 29 1HD2 LEU 29 46.410 55.087 -44.202 248 2HD2 LEU 29 2HD2 LEU 29 47.713 56.271 -44.107 249 3HD2 LEU 29 3HD2 LEU 29 47.652 55.136 -45.453 250 H GLU 30 H GLU 30 48.197 54.213 -39.754 251 HA GLU 30 HA GLU 30 50.620 52.905 -39.081 252 1HB GLU 30 1HB GLU 30 51.082 53.997 -41.448 253 2HB GLU 30 2HB GLU 30 51.267 55.471 -40.500 254 1HG GLU 30 1HG GLU 30 52.677 53.478 -39.088 255 2HG GLU 30 2HG GLU 30 53.107 53.258 -40.785 256 H GLU 31 H GLU 31 51.762 55.899 -38.788 257 HA GLU 31 HA GLU 31 50.097 57.472 -37.234 258 1HB GLU 31 1HB GLU 31 50.888 56.612 -34.880 259 2HB GLU 31 2HB GLU 31 49.522 55.827 -35.674 260 1HG GLU 31 1HG GLU 31 50.735 53.927 -36.198 261 2HG GLU 31 2HG GLU 31 52.269 54.796 -36.253 262 H SER 32 H SER 32 51.439 58.683 -35.416 263 HA SER 32 HA SER 32 54.303 58.605 -35.527 264 1HB SER 32 1HB SER 32 53.030 59.930 -37.725 265 2HB SER 32 2HB SER 32 53.830 61.145 -36.732 266 HG SER 32 HG SER 32 54.916 58.859 -37.990 267 H ASN 33 H ASN 33 55.211 60.122 -34.053 268 HA ASN 33 HA ASN 33 53.708 60.908 -31.847 269 1HB ASN 33 1HB ASN 33 56.350 61.485 -32.889 270 2HB ASN 33 2HB ASN 33 55.664 62.914 -32.115 271 2HD2 ASN 33 1HD2 ASN 33 56.892 59.678 -31.537 272 1HD2 ASN 33 2HD2 ASN 33 56.754 59.721 -29.846 273 H LEU 34 H LEU 34 54.471 62.900 -34.714 274 HA LEU 34 HA LEU 34 53.314 65.319 -34.008 275 1HB LEU 34 1HB LEU 34 53.718 63.853 -36.531 276 2HB LEU 34 2HB LEU 34 52.406 65.029 -36.590 277 HG LEU 34 HG LEU 34 54.371 66.421 -35.250 278 1HD1 LEU 34 1HD1 LEU 34 55.784 64.303 -36.080 279 2HD1 LEU 34 2HD1 LEU 34 55.854 65.256 -37.563 280 3HD1 LEU 34 3HD1 LEU 34 56.475 65.926 -36.054 281 1HD2 LEU 34 1HD2 LEU 34 52.868 66.701 -37.523 282 2HD2 LEU 34 2HD2 LEU 34 54.102 67.850 -37.007 283 3HD2 LEU 34 3HD2 LEU 34 54.494 66.610 -38.197 284 1HB PRO 35 1HB PRO 35 47.965 66.921 -34.885 285 2HB PRO 35 2HB PRO 35 48.759 67.003 -33.302 286 1HG PRO 35 2HG PRO 35 50.225 68.441 -34.366 287 2HG PRO 35 1HG PRO 35 49.805 67.827 -35.973 288 1HD PRO 35 1HD PRO 35 51.770 66.635 -35.889 289 2HD PRO 35 2HD PRO 35 51.973 66.968 -34.156 290 H TRP 36 H TRP 36 50.224 65.145 -36.830 291 HA TRP 36 HA TRP 36 47.735 64.063 -38.020 292 1HB TRP 36 2HB TRP 36 48.471 64.891 -40.035 293 2HB TRP 36 1HB TRP 36 50.153 64.486 -39.703 294 HD1 TRP 36 HD1 TRP 36 47.647 66.848 -37.918 295 HE1 TRP 36 HE1 TRP 36 48.806 69.124 -37.577 296 HE3 TRP 36 HE3 TRP 36 52.143 65.890 -40.143 297 HZ2 TRP 36 HZ2 TRP 36 51.311 70.374 -38.168 298 HZ3 TRP 36 HZ3 TRP 36 53.896 67.639 -40.238 299 HH2 TRP 36 HH2 TRP 36 53.486 69.878 -39.254 300 H TRP 37 H TRP 37 47.588 61.924 -38.741 301 HA TRP 37 HA TRP 37 50.054 60.276 -38.312 302 1HB TRP 37 1HB TRP 37 47.129 59.481 -38.187 303 2HB TRP 37 2HB TRP 37 48.476 58.354 -38.046 304 HD1 TRP 37 HD1 TRP 37 49.827 61.199 -36.436 305 HE1 TRP 37 HE1 TRP 37 49.448 61.185 -33.887 306 HE3 TRP 37 HE3 TRP 37 46.165 57.666 -36.113 307 HZ2 TRP 37 HZ2 TRP 37 47.805 59.848 -31.963 308 HZ3 TRP 37 HZ3 TRP 37 45.208 57.037 -33.915 309 HH2 TRP 37 HH2 TRP 37 46.024 58.123 -31.840 310 H ARG 38 H ARG 38 49.161 57.998 -39.719 311 HA ARG 38 HA ARG 38 49.068 59.063 -42.509 312 1HB ARG 38 1HB ARG 38 50.192 56.371 -41.712 313 2HB ARG 38 2HB ARG 38 50.450 57.258 -43.214 314 1HG ARG 38 1HG ARG 38 51.468 59.092 -41.632 315 2HG ARG 38 2HG ARG 38 51.642 57.750 -40.500 316 1HD ARG 38 1HD ARG 38 52.698 56.509 -42.557 317 2HD ARG 38 2HD ARG 38 52.938 58.140 -43.183 318 HE ARG 38 HE ARG 38 53.914 57.604 -40.440 319 1HH1 ARG 38 1HH1 ARG 38 55.080 59.933 -41.448 320 2HH1 ARG 38 2HH1 ARG 38 56.512 59.430 -42.283 321 1HH2 ARG 38 1HH2 ARG 38 55.521 56.118 -42.533 322 2HH2 ARG 38 2HH2 ARG 38 56.761 57.270 -42.898 323 H ALA 39 H ALA 39 46.951 58.840 -43.055 324 HA ALA 39 HA ALA 39 45.761 56.117 -42.796 325 1HB ALA 39 3HB ALA 39 44.545 56.992 -41.050 326 2HB ALA 39 1HB ALA 39 44.900 58.651 -41.512 327 3HB ALA 39 2HB ALA 39 43.612 57.766 -42.324 328 H ARG 40 H ARG 40 43.703 56.023 -44.132 329 HA ARG 40 HA ARG 40 43.979 57.730 -46.577 330 1HB ARG 40 1HB ARG 40 44.399 55.410 -47.145 331 2HB ARG 40 2HB ARG 40 42.978 54.880 -46.242 332 1HG ARG 40 1HG ARG 40 41.583 56.306 -47.812 333 2HG ARG 40 2HG ARG 40 43.035 56.513 -48.791 334 1HD ARG 40 2HD ARG 40 43.099 53.843 -48.540 335 2HD ARG 40 1HD ARG 40 42.195 54.639 -49.827 336 HE ARG 40 HE ARG 40 40.662 54.211 -47.363 337 1HH1 ARG 40 1HH1 ARG 40 41.936 52.578 -50.088 338 2HH1 ARG 40 2HH1 ARG 40 40.483 51.694 -50.419 339 1HH2 ARG 40 1HH2 ARG 40 38.649 53.261 -47.928 340 2HH2 ARG 40 2HH2 ARG 40 38.622 52.081 -49.196 341 H ASP 41 H ASP 41 42.509 59.352 -46.122 342 HA ASP 41 HA ASP 41 40.196 59.217 -44.572 343 1HB ASP 41 2HB ASP 41 41.132 61.286 -45.617 344 2HB ASP 41 1HB ASP 41 39.384 61.154 -45.767 345 H LYS 42 H LYS 42 37.883 59.514 -45.634 346 HA LYS 42 HA LYS 42 37.241 56.959 -46.850 347 1HB LYS 42 1HB LYS 42 35.779 58.442 -45.282 348 2HB LYS 42 2HB LYS 42 35.347 59.297 -46.764 349 1HG LYS 42 1HG LYS 42 34.838 56.954 -47.734 350 2HG LYS 42 2HG LYS 42 34.851 56.409 -46.055 351 1HD LYS 42 1HD LYS 42 32.867 57.407 -45.592 352 2HD LYS 42 2HD LYS 42 33.285 58.860 -46.502 353 1HE LYS 42 1HE LYS 42 32.579 57.931 -48.549 354 2HE LYS 42 2HE LYS 42 32.639 56.283 -47.925 355 1HZ LYS 42 1HZ LYS 42 30.795 56.845 -46.438 356 2HZ LYS 42 2HZ LYS 42 30.713 58.397 -47.124 357 3HZ LYS 42 3HZ LYS 42 30.369 57.028 -48.069 358 H ASN 43 H ASN 43 38.403 59.844 -48.125 359 HA ASN 43 HA ASN 43 36.939 59.748 -50.656 360 1HB ASN 43 1HB ASN 43 38.315 61.726 -49.381 361 2HB ASN 43 2HB ASN 43 39.526 61.185 -50.544 362 2HD2 ASN 43 1HD2 ASN 43 38.425 63.746 -50.881 363 1HD2 ASN 43 2HD2 ASN 43 37.400 63.752 -52.234 364 H GLY 44 H GLY 44 39.058 57.653 -49.389 365 1HA GLY 44 1HA GLY 44 40.376 55.976 -50.365 366 2HA GLY 44 2HA GLY 44 39.781 56.519 -51.935 367 H GLN 45 H GLN 45 41.610 58.347 -49.471 368 HA GLN 45 HA GLN 45 43.879 58.491 -51.388 369 1HB GLN 45 1HB GLN 45 42.091 60.564 -51.105 370 2HB GLN 45 2HB GLN 45 43.329 60.986 -49.921 371 1HG GLN 45 2HG GLN 45 44.903 60.244 -52.002 372 2HG GLN 45 1HG GLN 45 44.366 61.904 -51.738 373 2HE2 GLN 45 1HE2 GLN 45 43.788 62.712 -53.768 374 1HE2 GLN 45 2HE2 GLN 45 42.815 61.896 -54.896 375 H GLU 46 H GLU 46 45.638 57.810 -50.292 376 HA GLU 46 HA GLU 46 45.654 57.748 -47.367 377 1HB GLU 46 2HB GLU 46 47.656 56.499 -47.575 378 2HB GLU 46 1HB GLU 46 48.018 57.186 -49.160 379 1HG GLU 46 1HG GLU 46 45.605 55.436 -48.596 380 2HG GLU 46 2HG GLU 46 46.190 55.968 -50.174 381 H GLY 47 H GLY 47 46.583 59.301 -46.069 382 1HA GLY 47 1HA GLY 47 48.721 61.007 -47.024 383 2HA GLY 47 2HA GLY 47 47.183 61.855 -46.964 384 H TYR 48 H TYR 48 48.467 63.149 -45.353 385 HA TYR 48 HA TYR 48 48.680 61.849 -42.702 386 1HB TYR 48 1HB TYR 48 49.549 64.581 -43.682 387 2HB TYR 48 2HB TYR 48 49.773 63.999 -42.032 388 HD1 TYR 48 HD1 TYR 48 50.406 61.126 -42.565 389 HD2 TYR 48 HD2 TYR 48 51.772 64.710 -44.501 390 HE1 TYR 48 HE1 TYR 48 52.482 59.961 -43.257 391 HE2 TYR 48 HE2 TYR 48 53.848 63.544 -45.193 392 HH TYR 48 HH TYR 48 55.197 61.473 -44.240 393 H ILE 49 H ILE 49 46.833 61.911 -41.482 394 HA ILE 49 HA ILE 49 45.029 64.244 -41.888 395 HB ILE 49 HB ILE 49 43.607 62.506 -40.324 396 1HG1 ILE 49 1HG1 ILE 49 45.462 60.819 -40.640 397 2HG1 ILE 49 2HG1 ILE 49 43.878 60.273 -41.194 398 1HG2 ILE 49 1HG2 ILE 49 43.476 63.615 -42.886 399 2HG2 ILE 49 2HG2 ILE 49 43.233 61.886 -43.120 400 3HG2 ILE 49 3HG2 ILE 49 42.182 62.782 -42.026 401 1HD1 ILE 49 1HD1 ILE 49 45.052 61.651 -43.368 402 2HD1 ILE 49 2HD1 ILE 49 46.303 60.595 -42.716 403 3HD1 ILE 49 3HD1 ILE 49 44.760 59.916 -43.232 404 1HB PRO 50 1HB PRO 50 44.421 67.623 -37.633 405 2HB PRO 50 2HB PRO 50 45.893 67.742 -38.614 406 1HG PRO 50 2HG PRO 50 44.433 68.098 -40.368 407 2HG PRO 50 1HG PRO 50 43.071 67.366 -39.503 408 1HD PRO 50 1HD PRO 50 43.417 65.488 -40.779 409 2HD PRO 50 2HD PRO 50 44.966 66.114 -41.385 410 H SER 51 H SER 51 45.530 65.391 -35.695 411 HA SER 51 HA SER 51 42.916 63.991 -35.407 412 1HB SER 51 1HB SER 51 45.311 64.098 -33.552 413 2HB SER 51 2HB SER 51 43.824 63.209 -33.234 414 HG SER 51 HG SER 51 44.289 62.194 -35.363 415 H ASN 52 H ASN 52 44.510 66.944 -34.751 416 HA ASN 52 HA ASN 52 43.063 67.689 -32.361 417 1HB ASN 52 1HB ASN 52 43.756 70.043 -33.088 418 2HB ASN 52 2HB ASN 52 45.071 68.897 -32.823 419 2HD2 ASN 52 1HD2 ASN 52 46.617 69.220 -34.429 420 1HD2 ASN 52 2HD2 ASN 52 46.275 69.466 -36.074 421 H TYR 53 H TYR 53 42.090 67.293 -35.577 422 HA TYR 53 HA TYR 53 39.611 68.863 -35.011 423 1HB TYR 53 1HB TYR 53 41.206 68.877 -37.591 424 2HB TYR 53 2HB TYR 53 39.596 69.577 -37.411 425 HD1 TYR 53 HD1 TYR 53 39.813 70.691 -34.645 426 HD2 TYR 53 HD2 TYR 53 42.574 70.787 -37.934 427 HE1 TYR 53 HE1 TYR 53 40.817 72.770 -33.741 428 HE2 TYR 53 HE2 TYR 53 43.579 72.865 -37.030 429 HH TYR 53 HH TYR 53 43.002 74.696 -35.562 430 H VAL 54 H VAL 54 39.583 66.225 -34.529 431 HA VAL 54 HA VAL 54 37.816 65.170 -36.638 432 HB VAL 54 HB VAL 54 39.094 63.227 -37.134 433 1HG1 VAL 54 1HG1 VAL 54 39.843 65.312 -38.258 434 2HG1 VAL 54 2HG1 VAL 54 41.044 65.530 -36.988 435 3HG1 VAL 54 3HG1 VAL 54 41.142 64.138 -38.065 436 1HG2 VAL 54 1HG2 VAL 54 40.619 64.072 -34.701 437 2HG2 VAL 54 2HG2 VAL 54 39.971 62.484 -35.117 438 3HG2 VAL 54 3HG2 VAL 54 41.417 63.085 -35.924 439 H THR 55 H THR 55 38.172 62.469 -35.622 440 HA THR 55 HA THR 55 37.466 62.578 -32.805 441 HB THR 55 HB THR 55 35.498 62.488 -34.998 442 HG1 THR 55 HG1 THR 55 35.619 64.185 -33.531 443 1HG2 THR 55 1HG2 THR 55 35.361 60.163 -33.988 444 2HG2 THR 55 2HG2 THR 55 34.927 60.938 -32.466 445 3HG2 THR 55 3HG2 THR 55 33.884 61.111 -33.874 446 H GLU 56 H GLU 56 36.542 60.082 -32.368 447 HA GLU 56 HA GLU 56 37.256 57.873 -32.231 448 1HB GLU 56 1HB GLU 56 37.541 58.402 -35.175 449 2HB GLU 56 2HB GLU 56 37.861 56.823 -34.472 450 1HG GLU 56 1HG GLU 56 35.570 56.882 -33.452 451 2HG GLU 56 2HG GLU 56 35.257 58.358 -34.365 452 H ALA 57 H ALA 57 39.577 57.178 -34.361 453 HA ALA 57 HA ALA 57 41.692 57.154 -32.537 454 1HB ALA 57 1HB ALA 57 41.415 56.903 -35.441 455 2HB ALA 57 2HB ALA 57 42.968 57.587 -34.962 456 3HB ALA 57 3HB ALA 57 42.464 56.018 -34.334 457 H GLU 58 H GLU 58 43.669 58.547 -32.497 458 HA GLU 58 HA GLU 58 43.854 61.121 -33.643 459 1HB GLU 58 1HB GLU 58 43.160 62.496 -31.618 460 2HB GLU 58 2HB GLU 58 41.831 61.762 -32.514 461 1HG GLU 58 1HG GLU 58 41.737 59.911 -30.907 462 2HG GLU 58 2HG GLU 58 43.104 60.590 -30.024 No H/Q in entry = 462 Start of MODEL 16 1 H1 LEU 1 H1 LEU 1 39.849 48.927 -34.261 2 H2 LEU 1 H2 LEU 1 40.192 47.883 -35.557 3 H3 LEU 1 H3 LEU 1 41.082 47.772 -34.113 4 HA LEU 1 HA LEU 1 42.557 49.218 -34.864 5 1HB LEU 1 1HB LEU 1 41.000 48.494 -37.153 6 2HB LEU 1 2HB LEU 1 41.408 50.205 -37.286 7 HG LEU 1 HG LEU 1 43.765 49.064 -36.375 8 1HD1 LEU 1 1HD1 LEU 1 42.306 47.192 -38.240 9 2HD1 LEU 1 2HD1 LEU 1 44.068 47.238 -38.178 10 3HD1 LEU 1 3HD1 LEU 1 43.146 46.808 -36.737 11 1HD2 LEU 1 1HD2 LEU 1 43.136 50.760 -38.286 12 2HD2 LEU 1 2HD2 LEU 1 44.630 49.831 -38.409 13 3HD2 LEU 1 3HD2 LEU 1 43.204 49.330 -39.317 14 H LYS 2 H LYS 2 42.387 51.638 -36.254 15 HA LYS 2 HA LYS 2 40.699 53.231 -34.375 16 1HB LYS 2 2HB LYS 2 42.293 54.961 -34.504 17 2HB LYS 2 1HB LYS 2 42.970 54.347 -36.013 18 1HG LYS 2 2HG LYS 2 44.425 53.901 -34.017 19 2HG LYS 2 1HG LYS 2 43.928 52.433 -34.857 20 1HD LYS 2 1HD LYS 2 41.922 53.077 -32.919 21 2HD LYS 2 2HD LYS 2 42.984 51.669 -32.961 22 1HE LYS 2 1HE LYS 2 44.346 54.115 -32.082 23 2HE LYS 2 2HE LYS 2 43.025 53.633 -31.016 24 1HZ LYS 2 1HZ LYS 2 44.908 51.590 -31.963 25 2HZ LYS 2 2HZ LYS 2 45.395 52.633 -30.717 26 3HZ LYS 2 3HZ LYS 2 44.021 51.654 -30.515 27 H LYS 3 H LYS 3 40.083 55.451 -35.438 28 HA LYS 3 HA LYS 3 39.622 55.372 -38.325 29 1HB LYS 3 2HB LYS 3 37.802 53.917 -37.475 30 2HB LYS 3 1HB LYS 3 37.169 55.407 -38.174 31 1HG LYS 3 1HG LYS 3 37.732 55.081 -35.215 32 2HG LYS 3 2HG LYS 3 36.820 56.370 -36.001 33 1HD LYS 3 1HD LYS 3 34.932 55.106 -36.177 34 2HD LYS 3 2HD LYS 3 35.834 53.635 -36.544 35 1HE LYS 3 1HE LYS 3 35.915 54.830 -33.780 36 2HE LYS 3 2HE LYS 3 34.586 53.778 -34.264 37 1HZ LYS 3 1HZ LYS 3 36.268 52.115 -34.927 38 2HZ LYS 3 2HZ LYS 3 37.478 53.115 -34.275 39 3HZ LYS 3 3HZ LYS 3 36.287 52.458 -33.263 40 H VAL 4 H VAL 4 41.044 57.234 -36.992 41 HA VAL 4 HA VAL 4 39.985 59.416 -35.709 42 HB VAL 4 HB VAL 4 42.218 59.783 -36.180 43 1HG1 VAL 4 1HG1 VAL 4 41.609 58.584 -38.873 44 2HG1 VAL 4 2HG1 VAL 4 43.151 59.366 -38.542 45 3HG1 VAL 4 3HG1 VAL 4 42.658 57.954 -37.608 46 1HG2 VAL 4 1HG2 VAL 4 40.606 61.628 -37.411 47 2HG2 VAL 4 2HG2 VAL 4 42.357 61.774 -37.275 48 3HG2 VAL 4 3HG2 VAL 4 41.638 61.124 -38.746 49 H VAL 5 H VAL 5 37.968 60.283 -36.103 50 HA VAL 5 HA VAL 5 37.057 60.519 -38.893 51 HB VAL 5 HB VAL 5 35.573 59.716 -36.965 52 1HG1 VAL 5 1HG1 VAL 5 36.397 61.996 -35.768 53 2HG1 VAL 5 2HG1 VAL 5 34.895 62.563 -36.494 54 3HG1 VAL 5 3HG1 VAL 5 34.876 61.200 -35.373 55 1HG2 VAL 5 1HG2 VAL 5 34.901 61.817 -39.010 56 2HG2 VAL 5 2HG2 VAL 5 34.488 60.104 -39.005 57 3HG2 VAL 5 3HG2 VAL 5 33.647 61.216 -37.925 58 H ALA 6 H ALA 6 37.300 62.328 -40.046 59 HA ALA 6 HA ALA 6 38.672 64.605 -39.282 60 1HB ALA 6 3HB ALA 6 38.203 64.336 -41.597 61 2HB ALA 6 2HB ALA 6 37.299 65.775 -41.123 62 3HB ALA 6 1HB ALA 6 36.465 64.234 -41.314 63 H LEU 7 H LEU 7 37.610 66.899 -39.301 64 HA LEU 7 HA LEU 7 35.102 67.029 -37.730 65 1HB LEU 7 1HB LEU 7 37.556 67.090 -36.437 66 2HB LEU 7 2HB LEU 7 37.196 68.793 -36.671 67 HG LEU 7 HG LEU 7 36.328 67.808 -34.527 68 1HD1 LEU 7 1HD1 LEU 7 34.583 69.126 -36.588 69 2HD1 LEU 7 2HD1 LEU 7 33.915 68.717 -35.007 70 3HD1 LEU 7 3HD1 LEU 7 35.289 69.815 -35.126 71 1HD2 LEU 7 1HD2 LEU 7 35.528 65.720 -36.093 72 2HD2 LEU 7 2HD2 LEU 7 34.853 66.068 -34.501 73 3HD2 LEU 7 3HD2 LEU 7 34.022 66.629 -35.953 74 H TYR 8 H TYR 8 37.826 69.155 -38.596 75 HA TYR 8 HA TYR 8 35.857 70.963 -39.934 76 1HB TYR 8 2HB TYR 8 37.389 72.803 -39.378 77 2HB TYR 8 1HB TYR 8 38.515 71.661 -38.644 78 HD1 TYR 8 HD1 TYR 8 34.821 72.368 -38.487 79 HD2 TYR 8 HD2 TYR 8 38.439 71.556 -36.316 80 HE1 TYR 8 HE1 TYR 8 33.576 72.535 -36.351 81 HE2 TYR 8 HE2 TYR 8 37.192 71.725 -34.180 82 HH TYR 8 HH TYR 8 33.766 72.652 -34.119 83 H ASP 9 H ASP 9 36.261 71.457 -42.071 84 HA ASP 9 HA ASP 9 37.739 69.912 -43.785 85 1HB ASP 9 1HB ASP 9 36.236 72.044 -44.220 86 2HB ASP 9 2HB ASP 9 37.795 72.865 -44.292 87 H TYR 10 H TYR 10 39.871 69.500 -44.119 88 HA TYR 10 HA TYR 10 41.870 71.576 -43.387 89 1HB TYR 10 1HB TYR 10 41.487 69.817 -41.513 90 2HB TYR 10 2HB TYR 10 42.315 68.703 -42.600 91 HD1 TYR 10 HD1 TYR 10 42.660 71.733 -40.542 92 HD2 TYR 10 HD2 TYR 10 44.668 68.991 -43.167 93 HE1 TYR 10 HE1 TYR 10 44.849 72.660 -39.833 94 HE2 TYR 10 HE2 TYR 10 46.858 69.917 -42.460 95 HH TYR 10 HH TYR 10 47.900 71.258 -40.997 96 H MET 11 H MET 11 42.400 71.859 -45.580 97 HA MET 11 HA MET 11 42.957 69.573 -47.297 98 1HB MET 11 2HB MET 11 43.048 71.097 -49.018 99 2HB MET 11 1HB MET 11 43.916 72.290 -48.053 100 1HG MET 11 1HG MET 11 41.090 71.641 -47.304 101 2HG MET 11 2HG MET 11 41.971 73.161 -47.142 102 1HE MET 11 1HE MET 11 39.364 71.606 -48.285 103 2HE MET 11 2HE MET 11 38.752 72.460 -49.699 104 3HE MET 11 3HE MET 11 39.716 71.001 -49.910 105 1HB PRO 12 1HB PRO 12 48.273 68.916 -49.129 106 2HB PRO 12 2HB PRO 12 47.381 67.663 -48.249 107 1HG PRO 12 2HG PRO 12 45.905 67.773 -50.024 108 2HG PRO 12 1HG PRO 12 46.467 69.381 -50.508 109 1HD PRO 12 1HD PRO 12 44.584 70.217 -49.496 110 2HD PRO 12 2HD PRO 12 44.218 68.651 -48.742 111 H MET 13 H MET 13 48.533 70.979 -45.961 112 HA MET 13 HA MET 13 49.136 73.066 -48.014 113 1HB MET 13 1HB MET 13 47.698 73.408 -45.594 114 2HB MET 13 2HB MET 13 49.279 74.155 -45.355 115 1HG MET 13 1HG MET 13 47.578 74.660 -47.807 116 2HG MET 13 2HG MET 13 47.506 75.673 -46.367 117 1HE MET 13 1HE MET 13 47.704 77.249 -48.133 118 2HE MET 13 2HE MET 13 49.222 78.138 -48.330 119 3HE MET 13 3HE MET 13 48.748 76.923 -49.515 120 H ASN 14 H ASN 14 50.270 71.096 -45.340 121 HA ASN 14 HA ASN 14 53.044 71.739 -46.132 122 1HB ASN 14 1HB ASN 14 52.396 73.357 -44.310 123 2HB ASN 14 2HB ASN 14 52.153 71.971 -43.245 124 2HD2 ASN 14 1HD2 ASN 14 53.957 72.490 -41.843 125 1HD2 ASN 14 2HD2 ASN 14 55.566 72.370 -42.369 126 H ALA 15 H ALA 15 51.004 69.922 -43.818 127 HA ALA 15 HA ALA 15 53.014 67.768 -43.716 128 1HB ALA 15 1HB ALA 15 50.428 68.347 -42.303 129 2HB ALA 15 3HB ALA 15 52.023 68.034 -41.620 130 3HB ALA 15 2HB ALA 15 51.074 66.706 -42.290 131 H ASN 16 H ASN 16 51.395 68.465 -46.213 132 HA ASN 16 HA ASN 16 50.145 67.332 -47.864 133 1HB ASN 16 1HB ASN 16 52.175 65.426 -46.772 134 2HB ASN 16 2HB ASN 16 50.970 64.798 -47.897 135 2HD2 ASN 16 1HD2 ASN 16 53.064 64.551 -49.282 136 1HD2 ASN 16 2HD2 ASN 16 53.512 65.884 -50.232 137 H ASP 17 H ASP 17 48.869 67.469 -45.209 138 HA ASP 17 HA ASP 17 47.705 64.939 -44.528 139 1HB ASP 17 1HB ASP 17 46.732 67.775 -44.086 140 2HB ASP 17 2HB ASP 17 45.953 66.354 -43.391 141 H LEU 18 H LEU 18 45.508 64.181 -45.018 142 HA LEU 18 HA LEU 18 44.818 64.746 -47.799 143 1HB LEU 18 2HB LEU 18 43.160 62.987 -47.503 144 2HB LEU 18 1HB LEU 18 43.389 63.034 -45.750 145 HG LEU 18 HG LEU 18 45.930 62.724 -46.476 146 1HD1 LEU 18 1HD1 LEU 18 43.948 61.118 -45.375 147 2HD1 LEU 18 2HD1 LEU 18 44.606 60.139 -46.684 148 3HD1 LEU 18 3HD1 LEU 18 45.673 60.754 -45.426 149 1HD2 LEU 18 1HD2 LEU 18 44.436 62.301 -48.902 150 2HD2 LEU 18 2HD2 LEU 18 46.182 62.261 -48.665 151 3HD2 LEU 18 3HD2 LEU 18 45.228 60.796 -48.433 152 H GLN 19 H GLN 19 42.977 65.764 -48.537 153 HA GLN 19 HA GLN 19 41.973 67.958 -47.038 154 1HB GLN 19 1HB GLN 19 41.852 67.861 -49.496 155 2HB GLN 19 2HB GLN 19 40.693 66.535 -49.392 156 1HG GLN 19 1HG GLN 19 39.557 68.435 -47.748 157 2HG GLN 19 2HG GLN 19 40.268 69.419 -49.027 158 2HE2 GLN 19 1HE2 GLN 19 37.356 68.369 -48.355 159 1HE2 GLN 19 2HE2 GLN 19 36.803 67.837 -49.869 160 H LEU 20 H LEU 20 41.078 67.443 -45.044 161 HA LEU 20 HA LEU 20 39.448 65.195 -44.490 162 1HB LEU 20 1HB LEU 20 39.513 67.931 -43.206 163 2HB LEU 20 2HB LEU 20 38.567 66.591 -42.574 164 HG LEU 20 HG LEU 20 41.451 67.093 -42.397 165 1HD1 LEU 20 1HD1 LEU 20 39.625 66.744 -40.589 166 2HD1 LEU 20 2HD1 LEU 20 39.838 65.026 -40.928 167 3HD1 LEU 20 3HD1 LEU 20 41.198 65.986 -40.346 168 1HD2 LEU 20 1HD2 LEU 20 41.426 65.263 -44.118 169 2HD2 LEU 20 2HD2 LEU 20 42.170 64.777 -42.594 170 3HD2 LEU 20 3HD2 LEU 20 40.527 64.266 -42.975 171 H ARG 21 H ARG 21 37.134 65.096 -44.177 172 HA ARG 21 HA ARG 21 35.616 67.072 -45.819 173 1HB ARG 21 1HB ARG 21 36.012 64.426 -46.528 174 2HB ARG 21 2HB ARG 21 34.451 64.376 -45.707 175 1HG ARG 21 1HG ARG 21 34.908 66.585 -47.663 176 2HG ARG 21 2HG ARG 21 34.643 64.965 -48.309 177 1HD ARG 21 1HD ARG 21 32.819 66.206 -46.240 178 2HD ARG 21 2HD ARG 21 32.543 66.377 -47.974 179 HE ARG 21 HE ARG 21 32.148 63.937 -46.400 180 1HH1 ARG 21 1HH1 ARG 21 33.752 62.816 -48.500 181 2HH1 ARG 21 2HH1 ARG 21 32.651 62.601 -49.820 182 1HH2 ARG 21 1HH2 ARG 21 30.263 64.757 -48.528 183 2HH2 ARG 21 2HH2 ARG 21 30.677 63.699 -49.836 184 H LYS 22 H LYS 22 36.182 66.740 -42.944 185 HA LYS 22 HA LYS 22 35.051 66.514 -40.870 186 1HB LYS 22 2HB LYS 22 33.533 68.325 -40.614 187 2HB LYS 22 1HB LYS 22 33.033 68.248 -42.304 188 1HG LYS 22 1HG LYS 22 35.325 69.614 -41.093 189 2HG LYS 22 2HG LYS 22 35.777 68.618 -42.474 190 1HD LYS 22 2HD LYS 22 33.762 69.717 -43.672 191 2HD LYS 22 1HD LYS 22 35.210 70.697 -43.442 192 1HE LYS 22 1HE LYS 22 32.620 70.782 -41.889 193 2HE LYS 22 2HE LYS 22 34.108 71.473 -41.242 194 1HZ LYS 22 1HZ LYS 22 34.193 72.584 -43.586 195 2HZ LYS 22 2HZ LYS 22 32.516 72.315 -43.557 196 3HZ LYS 22 3HZ LYS 22 33.249 73.257 -42.348 197 H GLY 23 H GLY 23 34.303 64.369 -40.715 198 1HA GLY 23 1HA GLY 23 31.906 63.525 -40.131 199 2HA GLY 23 2HA GLY 23 31.584 63.841 -41.837 200 H ASP 24 H ASP 24 33.200 62.740 -43.377 201 HA ASP 24 HA ASP 24 33.113 59.948 -43.102 202 1HB ASP 24 1HB ASP 24 34.915 61.805 -44.643 203 2HB ASP 24 2HB ASP 24 35.258 60.075 -44.628 204 H GLU 25 H GLU 25 34.754 58.414 -42.347 205 HA GLU 25 HA GLU 25 36.439 59.651 -40.240 206 1HB GLU 25 1HB GLU 25 35.893 56.701 -40.599 207 2HB GLU 25 2HB GLU 25 36.477 57.527 -39.154 208 1HG GLU 25 1HG GLU 25 34.382 58.035 -38.497 209 2HG GLU 25 2HG GLU 25 33.971 58.669 -40.090 210 H TYR 26 H TYR 26 38.564 58.496 -39.842 211 HA TYR 26 HA TYR 26 39.848 57.775 -42.435 212 1HB TYR 26 2HB TYR 26 41.786 59.143 -41.804 213 2HB TYR 26 1HB TYR 26 41.005 59.585 -40.287 214 HD1 TYR 26 HD1 TYR 26 38.435 60.486 -40.683 215 HD2 TYR 26 HD2 TYR 26 41.674 60.720 -43.499 216 HE1 TYR 26 HE1 TYR 26 37.295 62.351 -41.851 217 HE2 TYR 26 HE2 TYR 26 40.529 62.596 -44.650 218 HH TYR 26 HH TYR 26 37.584 63.249 -44.601 219 H PHE 27 H PHE 27 41.260 56.064 -42.296 220 HA PHE 27 HA PHE 27 41.607 54.823 -39.605 221 1HB PHE 27 1HB PHE 27 41.542 53.674 -42.402 222 2HB PHE 27 2HB PHE 27 42.194 52.762 -41.042 223 HD1 PHE 27 HD1 PHE 27 39.195 54.905 -41.783 224 HD2 PHE 27 HD2 PHE 27 40.721 51.325 -39.965 225 HE1 PHE 27 HE1 PHE 27 36.896 54.270 -41.104 226 HE2 PHE 27 HE2 PHE 27 38.422 50.689 -39.286 227 HZ PHE 27 HZ PHE 27 36.509 52.162 -39.855 228 H ILE 28 H ILE 28 43.654 54.584 -38.824 229 HA ILE 28 HA ILE 28 45.793 55.923 -40.272 230 HB ILE 28 HB ILE 28 46.070 54.345 -37.720 231 1HG1 ILE 28 2HG1 ILE 28 45.730 56.762 -36.748 232 2HG1 ILE 28 1HG1 ILE 28 44.316 55.790 -37.147 233 1HG2 ILE 28 1HG2 ILE 28 48.079 55.218 -39.032 234 2HG2 ILE 28 2HG2 ILE 28 47.495 56.841 -38.666 235 3HG2 ILE 28 3HG2 ILE 28 47.966 55.757 -37.356 236 1HD1 ILE 28 1HD1 ILE 28 45.456 57.499 -39.314 237 2HD1 ILE 28 2HD1 ILE 28 43.775 57.083 -38.981 238 3HD1 ILE 28 3HD1 ILE 28 44.589 58.315 -38.015 239 H LEU 29 H LEU 29 46.279 54.721 -42.056 240 HA LEU 29 HA LEU 29 46.678 51.936 -42.225 241 1HB LEU 29 1HB LEU 29 47.787 54.338 -43.671 242 2HB LEU 29 2HB LEU 29 48.333 52.712 -44.085 243 HG LEU 29 HG LEU 29 46.069 52.021 -44.583 244 1HD1 LEU 29 1HD1 LEU 29 45.306 54.800 -43.651 245 2HD1 LEU 29 2HD1 LEU 29 44.202 53.663 -44.422 246 3HD1 LEU 29 3HD1 LEU 29 44.902 53.282 -42.849 247 1HD2 LEU 29 1HD2 LEU 29 46.843 54.694 -45.777 248 2HD2 LEU 29 2HD2 LEU 29 47.183 53.092 -46.432 249 3HD2 LEU 29 3HD2 LEU 29 45.529 53.702 -46.409 250 H GLU 30 H GLU 30 48.477 54.426 -40.669 251 HA GLU 30 HA GLU 30 50.475 52.427 -39.782 252 1HB GLU 30 1HB GLU 30 51.153 55.002 -41.224 253 2HB GLU 30 2HB GLU 30 52.315 54.144 -40.211 254 1HG GLU 30 1HG GLU 30 51.398 52.089 -41.733 255 2HG GLU 30 2HG GLU 30 51.242 53.423 -42.876 256 H GLU 31 H GLU 31 51.224 55.785 -39.354 257 HA GLU 31 HA GLU 31 49.661 56.639 -37.245 258 1HB GLU 31 1HB GLU 31 51.146 54.294 -36.472 259 2HB GLU 31 2HB GLU 31 51.703 55.676 -35.530 260 1HG GLU 31 2HG GLU 31 48.858 55.833 -35.708 261 2HG GLU 31 1HG GLU 31 49.846 55.571 -34.270 262 H SER 32 H SER 32 51.574 57.539 -35.358 263 HA SER 32 HA SER 32 54.001 58.536 -36.328 264 1HB SER 32 1HB SER 32 51.833 59.710 -37.725 265 2HB SER 32 2HB SER 32 52.442 60.944 -36.624 266 HG SER 32 HG SER 32 53.801 61.143 -38.270 267 H ASN 33 H ASN 33 54.831 60.337 -34.966 268 HA ASN 33 HA ASN 33 53.593 60.241 -32.289 269 1HB ASN 33 1HB ASN 33 55.649 61.491 -31.602 270 2HB ASN 33 2HB ASN 33 56.013 59.972 -32.422 271 2HD2 ASN 33 1HD2 ASN 33 56.343 63.443 -32.613 272 1HD2 ASN 33 2HD2 ASN 33 57.176 63.483 -34.091 273 H LEU 34 H LEU 34 53.800 62.384 -34.998 274 HA LEU 34 HA LEU 34 53.221 64.827 -33.520 275 1HB LEU 34 2HB LEU 34 53.343 65.886 -35.564 276 2HB LEU 34 1HB LEU 34 52.481 64.597 -36.404 277 HG LEU 34 HG LEU 34 55.099 63.795 -35.307 278 1HD1 LEU 34 1HD1 LEU 34 53.305 63.234 -37.546 279 2HD1 LEU 34 2HD1 LEU 34 54.992 63.342 -38.052 280 3HD1 LEU 34 3HD1 LEU 34 54.519 62.196 -36.796 281 1HD2 LEU 34 1HD2 LEU 34 54.863 65.905 -37.472 282 2HD2 LEU 34 2HD2 LEU 34 55.748 66.034 -35.953 283 3HD2 LEU 34 3HD2 LEU 34 56.313 64.935 -37.212 284 1HB PRO 35 1HB PRO 35 47.916 66.895 -34.688 285 2HB PRO 35 2HB PRO 35 48.669 66.881 -33.083 286 1HG PRO 35 2HG PRO 35 50.237 68.285 -34.023 287 2HG PRO 35 1HG PRO 35 49.799 67.812 -35.673 288 1HD PRO 35 1HD PRO 35 51.654 66.484 -35.692 289 2HD PRO 35 2HD PRO 35 51.946 66.758 -33.962 290 H TRP 36 H TRP 36 50.246 64.850 -36.587 291 HA TRP 36 HA TRP 36 47.720 63.904 -37.861 292 1HB TRP 36 1HB TRP 36 49.112 64.315 -40.007 293 2HB TRP 36 2HB TRP 36 48.549 65.731 -39.120 294 HD1 TRP 36 HD1 TRP 36 51.694 63.509 -39.409 295 HE1 TRP 36 HE1 TRP 36 53.759 64.970 -38.911 296 HE3 TRP 36 HE3 TRP 36 49.395 67.901 -38.179 297 HZ2 TRP 36 HZ2 TRP 36 54.358 67.646 -38.099 298 HZ3 TRP 36 HZ3 TRP 36 50.735 69.888 -37.548 299 HH2 TRP 36 HH2 TRP 36 53.212 69.765 -37.507 300 H TRP 37 H TRP 37 47.770 61.914 -39.069 301 HA TRP 37 HA TRP 37 50.223 60.270 -38.541 302 1HB TRP 37 2HB TRP 37 48.902 58.382 -38.039 303 2HB TRP 37 1HB TRP 37 47.456 59.093 -38.758 304 HD1 TRP 37 HD1 TRP 37 46.590 61.425 -37.440 305 HE1 TRP 37 HE1 TRP 37 46.418 61.813 -34.896 306 HE3 TRP 37 HE3 TRP 37 49.769 57.793 -35.778 307 HZ2 TRP 37 HZ2 TRP 37 47.488 60.725 -32.476 308 HZ3 TRP 37 HZ3 TRP 37 50.175 57.490 -33.352 309 HH2 TRP 37 HH2 TRP 37 49.039 58.950 -31.701 310 H ARG 38 H ARG 38 49.247 58.041 -40.023 311 HA ARG 38 HA ARG 38 49.241 59.174 -42.794 312 1HB ARG 38 1HB ARG 38 51.333 57.855 -41.922 313 2HB ARG 38 2HB ARG 38 50.306 56.435 -42.119 314 1HG ARG 38 2HG ARG 38 49.994 58.013 -44.461 315 2HG ARG 38 1HG ARG 38 50.768 56.434 -44.320 316 1HD ARG 38 1HD ARG 38 51.988 58.993 -44.805 317 2HD ARG 38 2HD ARG 38 52.589 58.352 -43.276 318 HE ARG 38 HE ARG 38 52.973 56.188 -44.737 319 1HH1 ARG 38 1HH1 ARG 38 52.386 57.442 -47.336 320 2HH1 ARG 38 2HH1 ARG 38 53.936 58.020 -47.850 321 1HH2 ARG 38 1HH2 ARG 38 55.357 57.812 -44.694 322 2HH2 ARG 38 2HH2 ARG 38 55.617 58.230 -46.355 323 H ALA 39 H ALA 39 46.902 59.115 -42.700 324 HA ALA 39 HA ALA 39 45.809 56.332 -42.746 325 1HB ALA 39 3HB ALA 39 44.641 57.173 -40.955 326 2HB ALA 39 1HB ALA 39 44.885 58.844 -41.457 327 3HB ALA 39 2HB ALA 39 43.629 57.869 -42.218 328 H ARG 40 H ARG 40 43.914 56.041 -44.123 329 HA ARG 40 HA ARG 40 44.020 57.804 -46.537 330 1HB ARG 40 1HB ARG 40 44.578 55.477 -47.048 331 2HB ARG 40 2HB ARG 40 43.129 54.915 -46.215 332 1HG ARG 40 1HG ARG 40 41.694 55.746 -47.874 333 2HG ARG 40 2HG ARG 40 42.902 56.877 -48.485 334 1HD ARG 40 1HD ARG 40 43.467 55.349 -50.038 335 2HD ARG 40 2HD ARG 40 44.053 54.311 -48.737 336 HE ARG 40 HE ARG 40 41.310 53.866 -48.785 337 1HH1 ARG 40 1HH1 ARG 40 41.136 54.315 -51.624 338 2HH1 ARG 40 2HH1 ARG 40 41.648 52.817 -52.328 339 1HH2 ARG 40 1HH2 ARG 40 43.174 51.672 -49.432 340 2HH2 ARG 40 2HH2 ARG 40 42.802 51.321 -51.086 341 H ASP 41 H ASP 41 42.452 59.328 -46.116 342 HA ASP 41 HA ASP 41 40.183 59.123 -44.531 343 1HB ASP 41 2HB ASP 41 40.977 61.181 -45.716 344 2HB ASP 41 1HB ASP 41 39.234 60.948 -45.783 345 H LYS 42 H LYS 42 37.846 59.203 -45.486 346 HA LYS 42 HA LYS 42 37.330 56.580 -46.625 347 1HB LYS 42 1HB LYS 42 35.866 58.385 -45.116 348 2HB LYS 42 2HB LYS 42 35.092 58.471 -46.698 349 1HG LYS 42 1HG LYS 42 35.666 55.903 -45.191 350 2HG LYS 42 2HG LYS 42 34.094 56.700 -45.259 351 1HD LYS 42 1HD LYS 42 33.983 56.404 -47.664 352 2HD LYS 42 2HD LYS 42 35.630 55.772 -47.702 353 1HE LYS 42 1HE LYS 42 34.233 54.223 -45.791 354 2HE LYS 42 2HE LYS 42 33.170 54.355 -47.191 355 1HZ LYS 42 1HZ LYS 42 35.986 53.818 -47.715 356 2HZ LYS 42 2HZ LYS 42 35.087 52.555 -47.027 357 3HZ LYS 42 3HZ LYS 42 34.601 53.234 -48.507 358 H ASN 43 H ASN 43 38.183 59.540 -47.983 359 HA ASN 43 HA ASN 43 36.599 59.297 -50.430 360 1HB ASN 43 1HB ASN 43 37.955 61.372 -49.233 361 2HB ASN 43 2HB ASN 43 39.053 60.925 -50.539 362 2HD2 ASN 43 1HD2 ASN 43 36.834 59.948 -52.289 363 1HD2 ASN 43 2HD2 ASN 43 36.039 61.340 -52.848 364 H GLY 44 H GLY 44 38.997 57.437 -49.241 365 1HA GLY 44 1HA GLY 44 40.326 55.806 -50.291 366 2HA GLY 44 2HA GLY 44 39.660 56.335 -51.838 367 H GLN 45 H GLN 45 41.402 58.311 -49.440 368 HA GLN 45 HA GLN 45 43.605 58.596 -51.431 369 1HB GLN 45 1HB GLN 45 41.740 60.580 -50.801 370 2HB GLN 45 2HB GLN 45 43.150 60.988 -49.822 371 1HG GLN 45 1HG GLN 45 44.483 60.522 -52.036 372 2HG GLN 45 2HG GLN 45 42.920 60.784 -52.812 373 2HE2 GLN 45 1HE2 GLN 45 45.629 62.459 -52.260 374 1HE2 GLN 45 2HE2 GLN 45 45.000 64.001 -51.930 375 H GLU 46 H GLU 46 45.470 57.965 -50.478 376 HA GLU 46 HA GLU 46 45.610 57.794 -47.540 377 1HB GLU 46 2HB GLU 46 47.535 56.468 -47.850 378 2HB GLU 46 1HB GLU 46 47.868 57.165 -49.437 379 1HG GLU 46 1HG GLU 46 45.687 55.214 -48.670 380 2HG GLU 46 2HG GLU 46 45.637 56.129 -50.177 381 H GLY 47 H GLY 47 46.525 59.366 -46.323 382 1HA GLY 47 1HA GLY 47 48.769 60.936 -47.272 383 2HA GLY 47 2HA GLY 47 47.287 61.873 -47.222 384 H TYR 48 H TYR 48 48.168 63.205 -45.500 385 HA TYR 48 HA TYR 48 48.577 61.772 -42.930 386 1HB TYR 48 1HB TYR 48 49.290 64.594 -43.769 387 2HB TYR 48 2HB TYR 48 49.496 63.977 -42.131 388 HD1 TYR 48 HD1 TYR 48 50.313 63.071 -45.681 389 HD2 TYR 48 HD2 TYR 48 51.522 62.969 -41.560 390 HE1 TYR 48 HE1 TYR 48 52.474 62.049 -46.340 391 HE2 TYR 48 HE2 TYR 48 53.684 61.947 -42.220 392 HH TYR 48 HH TYR 48 54.475 60.496 -44.281 393 H ILE 49 H ILE 49 47.332 62.341 -41.078 394 HA ILE 49 HA ILE 49 45.071 64.210 -41.569 395 HB ILE 49 HB ILE 49 44.916 61.360 -40.701 396 1HG1 ILE 49 2HG1 ILE 49 43.781 62.995 -42.944 397 2HG1 ILE 49 1HG1 ILE 49 43.051 61.458 -42.474 398 1HG2 ILE 49 1HG2 ILE 49 43.259 63.604 -39.861 399 2HG2 ILE 49 2HG2 ILE 49 42.321 62.360 -40.688 400 3HG2 ILE 49 3HG2 ILE 49 43.272 61.945 -39.262 401 1HD1 ILE 49 1HD1 ILE 49 45.826 60.986 -42.564 402 2HD1 ILE 49 2HD1 ILE 49 44.619 60.420 -43.719 403 3HD1 ILE 49 3HD1 ILE 49 45.466 61.943 -44.000 404 1HB PRO 50 1HB PRO 50 45.185 67.676 -37.359 405 2HB PRO 50 2HB PRO 50 46.723 67.496 -38.222 406 1HG PRO 50 2HG PRO 50 45.503 68.163 -40.070 407 2HG PRO 50 1HG PRO 50 43.960 67.705 -39.330 408 1HD PRO 50 1HD PRO 50 44.035 65.817 -40.639 409 2HD PRO 50 2HD PRO 50 45.728 66.119 -41.086 410 H SER 51 H SER 51 45.620 65.385 -35.372 411 HA SER 51 HA SER 51 42.891 64.241 -35.290 412 1HB SER 51 1HB SER 51 44.934 64.632 -33.087 413 2HB SER 51 2HB SER 51 43.405 63.773 -32.925 414 HG SER 51 HG SER 51 44.431 62.651 -34.955 415 H ASN 52 H ASN 52 44.616 67.178 -34.478 416 HA ASN 52 HA ASN 52 42.748 68.305 -32.645 417 1HB ASN 52 1HB ASN 52 43.670 70.526 -33.579 418 2HB ASN 52 2HB ASN 52 44.831 69.419 -32.845 419 2HD2 ASN 52 1HD2 ASN 52 44.648 71.427 -35.403 420 1HD2 ASN 52 2HD2 ASN 52 45.552 70.562 -36.549 421 H TYR 53 H TYR 53 42.442 67.630 -35.983 422 HA TYR 53 HA TYR 53 40.045 69.423 -36.130 423 1HB TYR 53 1HB TYR 53 42.193 68.790 -38.096 424 2HB TYR 53 2HB TYR 53 40.553 68.927 -38.729 425 HD1 TYR 53 HD1 TYR 53 42.253 70.731 -35.918 426 HD2 TYR 53 HD2 TYR 53 40.392 71.014 -39.778 427 HE1 TYR 53 HE1 TYR 53 42.420 73.202 -35.816 428 HE2 TYR 53 HE2 TYR 53 40.559 73.486 -39.677 429 HH TYR 53 HH TYR 53 42.015 75.180 -38.492 430 H VAL 54 H VAL 54 40.344 66.599 -35.157 431 HA VAL 54 HA VAL 54 38.121 65.438 -36.727 432 HB VAL 54 HB VAL 54 39.255 63.541 -37.493 433 1HG1 VAL 54 1HG1 VAL 54 40.055 65.569 -38.635 434 2HG1 VAL 54 2HG1 VAL 54 41.386 65.667 -37.486 435 3HG1 VAL 54 3HG1 VAL 54 41.277 64.300 -38.594 436 1HG2 VAL 54 1HG2 VAL 54 40.926 64.026 -35.107 437 2HG2 VAL 54 2HG2 VAL 54 40.396 62.501 -35.812 438 3HG2 VAL 54 3HG2 VAL 54 41.784 63.348 -36.490 439 H THR 55 H THR 55 38.607 62.836 -35.646 440 HA THR 55 HA THR 55 38.678 63.102 -32.739 441 HB THR 55 HB THR 55 36.225 62.045 -34.014 442 HG1 THR 55 HG1 THR 55 35.313 64.130 -33.555 443 1HG2 THR 55 1HG2 THR 55 37.194 62.303 -31.342 444 2HG2 THR 55 2HG2 THR 55 35.775 63.335 -31.517 445 3HG2 THR 55 3HG2 THR 55 35.661 61.612 -31.873 446 H GLU 56 H GLU 56 37.002 60.494 -32.747 447 HA GLU 56 HA GLU 56 37.723 58.261 -32.535 448 1HB GLU 56 1HB GLU 56 38.411 58.677 -35.429 449 2HB GLU 56 2HB GLU 56 37.893 57.186 -34.663 450 1HG GLU 56 2HG GLU 56 36.029 58.236 -35.890 451 2HG GLU 56 1HG GLU 56 36.223 59.703 -34.929 452 H ALA 57 H ALA 57 39.962 57.485 -34.688 453 HA ALA 57 HA ALA 57 42.089 57.141 -32.940 454 1HB ALA 57 2HB ALA 57 42.677 58.027 -35.750 455 2HB ALA 57 1HB ALA 57 41.835 56.502 -35.474 456 3HB ALA 57 3HB ALA 57 43.446 56.753 -34.804 457 H GLU 58 H GLU 58 43.613 58.473 -32.003 458 HA GLU 58 HA GLU 58 44.143 61.147 -33.103 459 1HB GLU 58 1HB GLU 58 42.658 60.717 -30.505 460 2HB GLU 58 2HB GLU 58 43.590 62.183 -30.809 461 1HG GLU 58 1HG GLU 58 42.171 62.008 -33.127 462 2HG GLU 58 2HG GLU 58 41.023 61.301 -31.988 No H/Q in entry = 462 Start of MODEL 17 1 H1 LEU 1 H1 LEU 1 43.320 51.490 -33.307 2 H2 LEU 1 H2 LEU 1 44.418 50.202 -33.455 3 H3 LEU 1 H3 LEU 1 44.329 51.390 -34.667 4 HA LEU 1 HA LEU 1 43.102 49.779 -35.669 5 1HB LEU 1 1HB LEU 1 41.518 48.340 -34.216 6 2HB LEU 1 2HB LEU 1 43.251 48.046 -34.062 7 HG LEU 1 HG LEU 1 42.483 50.156 -32.262 8 1HD1 LEU 1 1HD1 LEU 1 40.734 47.717 -32.344 9 2HD1 LEU 1 2HD1 LEU 1 41.137 48.432 -30.782 10 3HD1 LEU 1 3HD1 LEU 1 40.297 49.391 -32.000 11 1HD2 LEU 1 1HD2 LEU 1 43.848 47.525 -32.250 12 2HD2 LEU 1 2HD2 LEU 1 44.343 49.051 -31.518 13 3HD2 LEU 1 3HD2 LEU 1 43.162 48.025 -30.704 14 H LYS 2 H LYS 2 42.442 52.569 -34.571 15 HA LYS 2 HA LYS 2 39.470 52.387 -34.851 16 1HB LYS 2 1HB LYS 2 41.067 53.713 -32.926 17 2HB LYS 2 2HB LYS 2 40.374 54.973 -33.949 18 1HG LYS 2 1HG LYS 2 38.388 54.715 -32.929 19 2HG LYS 2 2HG LYS 2 38.342 53.028 -33.442 20 1HD LYS 2 2HD LYS 2 40.050 52.742 -31.417 21 2HD LYS 2 1HD LYS 2 38.306 52.728 -31.152 22 1HE LYS 2 1HE LYS 2 40.301 54.895 -30.575 23 2HE LYS 2 2HE LYS 2 38.636 55.343 -30.943 24 1HZ LYS 2 1HZ LYS 2 38.651 53.181 -29.139 25 2HZ LYS 2 2HZ LYS 2 39.650 54.410 -28.531 26 3HZ LYS 2 3HZ LYS 2 38.031 54.748 -28.916 27 H LYS 3 H LYS 3 38.555 54.472 -35.902 28 HA LYS 3 HA LYS 3 40.301 55.177 -38.226 29 1HB LYS 3 1HB LYS 3 37.378 54.602 -37.968 30 2HB LYS 3 2HB LYS 3 37.882 55.793 -39.169 31 1HG LYS 3 1HG LYS 3 38.910 54.231 -40.482 32 2HG LYS 3 2HG LYS 3 39.469 53.289 -39.099 33 1HD LYS 3 1HD LYS 3 36.539 53.389 -39.787 34 2HD LYS 3 2HD LYS 3 37.616 52.271 -40.625 35 1HE LYS 3 1HE LYS 3 38.360 51.401 -38.396 36 2HE LYS 3 2HE LYS 3 37.147 52.429 -37.635 37 1HZ LYS 3 1HZ LYS 3 35.706 51.178 -39.517 38 2HZ LYS 3 2HZ LYS 3 36.817 49.962 -39.100 39 3HZ LYS 3 3HZ LYS 3 35.833 50.655 -37.906 40 H VAL 4 H VAL 4 41.223 57.074 -37.379 41 HA VAL 4 HA VAL 4 39.905 59.042 -35.848 42 HB VAL 4 HB VAL 4 42.395 58.869 -36.353 43 1HG1 VAL 4 1HG1 VAL 4 41.872 58.763 -38.893 44 2HG1 VAL 4 2HG1 VAL 4 41.794 60.522 -38.790 45 3HG1 VAL 4 3HG1 VAL 4 43.283 59.679 -38.365 46 1HG2 VAL 4 1HG2 VAL 4 40.854 61.444 -36.508 47 2HG2 VAL 4 2HG2 VAL 4 41.844 60.819 -35.187 48 3HG2 VAL 4 3HG2 VAL 4 42.614 61.459 -36.636 49 H VAL 5 H VAL 5 38.064 60.115 -36.440 50 HA VAL 5 HA VAL 5 37.436 60.466 -39.301 51 HB VAL 5 HB VAL 5 35.660 59.685 -37.798 52 1HG1 VAL 5 1HG1 VAL 5 36.701 61.229 -35.913 53 2HG1 VAL 5 2HG1 VAL 5 35.566 62.415 -36.557 54 3HG1 VAL 5 3HG1 VAL 5 34.974 60.881 -35.920 55 1HG2 VAL 5 1HG2 VAL 5 35.344 62.456 -38.981 56 2HG2 VAL 5 2HG2 VAL 5 34.977 60.916 -39.759 57 3HG2 VAL 5 3HG2 VAL 5 33.987 61.482 -38.412 58 H ALA 6 H ALA 6 37.116 62.463 -40.324 59 HA ALA 6 HA ALA 6 38.774 64.629 -39.626 60 1HB ALA 6 3HB ALA 6 37.941 64.591 -41.847 61 2HB ALA 6 1HB ALA 6 36.274 64.446 -41.312 62 3HB ALA 6 2HB ALA 6 37.136 65.970 -41.112 63 H LEU 7 H LEU 7 37.517 66.954 -39.449 64 HA LEU 7 HA LEU 7 35.410 66.878 -37.389 65 1HB LEU 7 1HB LEU 7 38.083 66.959 -36.633 66 2HB LEU 7 2HB LEU 7 37.582 68.644 -36.573 67 HG LEU 7 HG LEU 7 37.230 67.372 -34.432 68 1HD1 LEU 7 1HD1 LEU 7 35.571 69.216 -35.755 69 2HD1 LEU 7 2HD1 LEU 7 34.478 68.019 -35.059 70 3HD1 LEU 7 3HD1 LEU 7 35.612 68.886 -34.024 71 1HD2 LEU 7 1HD2 LEU 7 36.454 65.284 -35.783 72 2HD2 LEU 7 2HD2 LEU 7 35.640 65.653 -34.264 73 3HD2 LEU 7 3HD2 LEU 7 34.881 66.079 -35.797 74 H TYR 8 H TYR 8 37.739 68.899 -39.175 75 HA TYR 8 HA TYR 8 35.504 70.789 -39.736 76 1HB TYR 8 2HB TYR 8 36.836 72.695 -39.203 77 2HB TYR 8 1HB TYR 8 38.302 71.723 -39.068 78 HD1 TYR 8 HD1 TYR 8 34.876 72.072 -37.584 79 HD2 TYR 8 HD2 TYR 8 38.967 70.919 -36.963 80 HE1 TYR 8 HE1 TYR 8 34.411 71.720 -35.175 81 HE2 TYR 8 HE2 TYR 8 38.501 70.568 -34.554 82 HH TYR 8 HH TYR 8 35.301 71.296 -33.176 83 H ASP 9 H ASP 9 35.361 71.140 -41.891 84 HA ASP 9 HA ASP 9 36.842 69.926 -43.875 85 1HB ASP 9 1HB ASP 9 34.996 72.140 -43.742 86 2HB ASP 9 2HB ASP 9 36.268 72.490 -44.915 87 H TYR 10 H TYR 10 39.036 69.898 -44.006 88 HA TYR 10 HA TYR 10 40.451 72.535 -43.913 89 1HB TYR 10 1HB TYR 10 40.751 70.532 -42.049 90 2HB TYR 10 2HB TYR 10 42.049 70.171 -43.186 91 HD1 TYR 10 HD1 TYR 10 40.546 73.451 -42.191 92 HD2 TYR 10 HD2 TYR 10 44.031 70.939 -42.190 93 HE1 TYR 10 HE1 TYR 10 41.888 75.314 -41.252 94 HE2 TYR 10 HE2 TYR 10 45.373 72.801 -41.252 95 HH TYR 10 HH TYR 10 45.217 74.834 -40.209 96 H MET 11 H MET 11 42.290 72.684 -45.356 97 HA MET 11 HA MET 11 42.502 70.495 -47.340 98 1HB MET 11 1HB MET 11 42.682 72.235 -49.134 99 2HB MET 11 2HB MET 11 41.093 72.185 -48.370 100 1HG MET 11 1HG MET 11 41.782 74.050 -46.875 101 2HG MET 11 2HG MET 11 43.328 74.131 -47.721 102 1HE MET 11 1HE MET 11 42.939 76.410 -47.838 103 2HE MET 11 2HE MET 11 42.170 77.238 -49.190 104 3HE MET 11 3HE MET 11 41.244 76.879 -47.725 105 1HB PRO 12 1HB PRO 12 47.352 69.815 -44.473 106 2HB PRO 12 2HB PRO 12 46.450 71.134 -43.714 107 1HG PRO 12 2HG PRO 12 44.861 69.489 -43.303 108 2HG PRO 12 1HG PRO 12 45.453 68.457 -44.615 109 1HD PRO 12 1HD PRO 12 43.695 69.233 -45.844 110 2HD PRO 12 2HD PRO 12 43.349 70.522 -44.677 111 H MET 13 H MET 13 45.471 70.177 -48.125 112 HA MET 13 HA MET 13 47.090 68.103 -48.828 113 1HB MET 13 1HB MET 13 45.325 69.088 -50.294 114 2HB MET 13 2HB MET 13 46.442 70.387 -50.715 115 1HG MET 13 1HG MET 13 47.961 68.870 -51.767 116 2HG MET 13 2HG MET 13 47.130 67.466 -51.095 117 1HE MET 13 1HE MET 13 47.907 67.237 -53.589 118 2HE MET 13 2HE MET 13 46.487 66.195 -53.659 119 3HE MET 13 3HE MET 13 46.764 67.383 -54.932 120 H ASN 14 H ASN 14 48.090 71.477 -48.686 121 HA ASN 14 HA ASN 14 50.574 71.188 -50.085 122 1HB ASN 14 1HB ASN 14 51.236 73.184 -48.549 123 2HB ASN 14 2HB ASN 14 49.922 73.416 -49.703 124 2HD2 ASN 14 1HD2 ASN 14 47.949 74.110 -48.840 125 1HD2 ASN 14 2HD2 ASN 14 47.549 74.068 -47.192 126 H ALA 15 H ALA 15 49.674 70.716 -46.685 127 HA ALA 15 HA ALA 15 52.431 70.045 -45.933 128 1HB ALA 15 2HB ALA 15 49.934 69.556 -44.296 129 2HB ALA 15 1HB ALA 15 50.696 71.144 -44.399 130 3HB ALA 15 3HB ALA 15 51.584 69.781 -43.717 131 H ASN 16 H ASN 16 50.386 68.453 -47.816 132 HA ASN 16 HA ASN 16 50.344 66.196 -48.481 133 1HB ASN 16 2HB ASN 16 51.961 64.678 -47.627 134 2HB ASN 16 1HB ASN 16 52.108 65.564 -46.110 135 2HD2 ASN 16 1HD2 ASN 16 53.909 66.916 -46.021 136 1HD2 ASN 16 2HD2 ASN 16 54.700 67.579 -47.368 137 H ASP 17 H ASP 17 48.747 67.512 -46.146 138 HA ASP 17 HA ASP 17 47.967 65.115 -44.607 139 1HB ASP 17 1HB ASP 17 47.245 68.027 -44.528 140 2HB ASP 17 2HB ASP 17 46.244 66.846 -43.686 141 H LEU 18 H LEU 18 45.662 64.400 -44.591 142 HA LEU 18 HA LEU 18 44.598 64.356 -47.318 143 1HB LEU 18 1HB LEU 18 44.144 62.952 -44.769 144 2HB LEU 18 2HB LEU 18 42.679 63.213 -45.700 145 HG LEU 18 HG LEU 18 43.215 61.548 -47.124 146 1HD1 LEU 18 1HD1 LEU 18 45.821 63.021 -47.365 147 2HD1 LEU 18 2HD1 LEU 18 45.693 61.388 -48.014 148 3HD1 LEU 18 3HD1 LEU 18 44.626 62.660 -48.608 149 1HD2 LEU 18 1HD2 LEU 18 45.551 61.214 -45.233 150 2HD2 LEU 18 2HD2 LEU 18 43.946 60.510 -45.048 151 3HD2 LEU 18 3HD2 LEU 18 44.992 59.986 -46.365 152 H GLN 19 H GLN 19 43.658 66.173 -47.990 153 HA GLN 19 HA GLN 19 42.544 68.316 -46.790 154 1HB GLN 19 1HB GLN 19 42.498 68.023 -49.221 155 2HB GLN 19 2HB GLN 19 41.228 66.808 -49.058 156 1HG GLN 19 1HG GLN 19 40.066 68.801 -47.680 157 2HG GLN 19 2HG GLN 19 41.067 69.768 -48.765 158 2HE2 GLN 19 1HE2 GLN 19 40.243 70.104 -50.843 159 1HE2 GLN 19 2HE2 GLN 19 38.968 69.218 -51.531 160 H LEU 20 H LEU 20 41.556 68.090 -44.814 161 HA LEU 20 HA LEU 20 39.692 66.116 -44.061 162 1HB LEU 20 1HB LEU 20 40.318 68.888 -43.130 163 2HB LEU 20 2HB LEU 20 38.847 68.122 -42.528 164 HG LEU 20 HG LEU 20 40.905 67.727 -41.105 165 1HD1 LEU 20 1HD1 LEU 20 39.330 65.504 -42.362 166 2HD1 LEU 20 2HD1 LEU 20 40.513 65.165 -41.110 167 3HD1 LEU 20 3HD1 LEU 20 39.136 66.209 -40.759 168 1HD2 LEU 20 1HD2 LEU 20 42.340 67.436 -43.254 169 2HD2 LEU 20 2HD2 LEU 20 42.659 66.354 -41.897 170 3HD2 LEU 20 3HD2 LEU 20 41.708 65.789 -43.270 171 H ARG 21 H ARG 21 37.490 65.895 -44.352 172 HA ARG 21 HA ARG 21 36.108 68.078 -45.839 173 1HB ARG 21 1HB ARG 21 36.812 65.916 -47.177 174 2HB ARG 21 2HB ARG 21 35.406 65.213 -46.376 175 1HG ARG 21 1HG ARG 21 34.646 67.787 -47.335 176 2HG ARG 21 2HG ARG 21 35.462 66.948 -48.655 177 1HD ARG 21 1HD ARG 21 33.308 65.631 -46.991 178 2HD ARG 21 2HD ARG 21 32.945 66.541 -48.458 179 HE ARG 21 HE ARG 21 33.689 63.892 -48.548 180 1HH1 ARG 21 1HH1 ARG 21 33.658 66.163 -50.774 181 2HH1 ARG 21 2HH1 ARG 21 35.149 65.777 -51.567 182 1HH2 ARG 21 1HH2 ARG 21 36.258 63.680 -49.038 183 2HH2 ARG 21 2HH2 ARG 21 36.620 64.373 -50.584 184 H LYS 22 H LYS 22 36.193 67.158 -43.009 185 HA LYS 22 HA LYS 22 34.706 66.580 -41.261 186 1HB LYS 22 1HB LYS 22 33.797 68.857 -42.825 187 2HB LYS 22 2HB LYS 22 32.441 68.033 -42.053 188 1HG LYS 22 1HG LYS 22 34.866 68.444 -40.390 189 2HG LYS 22 2HG LYS 22 33.922 69.882 -40.775 190 1HD LYS 22 1HD LYS 22 32.048 67.879 -40.101 191 2HD LYS 22 2HD LYS 22 33.323 67.784 -38.885 192 1HE LYS 22 1HE LYS 22 32.759 69.782 -37.974 193 2HE LYS 22 2HE LYS 22 32.552 70.539 -39.553 194 1HZ LYS 22 1HZ LYS 22 30.526 68.618 -39.120 195 2HZ LYS 22 2HZ LYS 22 30.568 69.704 -37.815 196 3HZ LYS 22 3HZ LYS 22 30.371 70.283 -39.400 197 H GLY 23 H GLY 23 34.144 64.384 -41.507 198 1HA GLY 23 1HA GLY 23 31.754 63.325 -41.580 199 2HA GLY 23 2HA GLY 23 31.804 63.811 -43.277 200 H ASP 24 H ASP 24 33.783 62.998 -44.504 201 HA ASP 24 HA ASP 24 33.932 60.174 -44.416 202 1HB ASP 24 1HB ASP 24 36.039 62.128 -45.395 203 2HB ASP 24 2HB ASP 24 35.971 60.414 -45.797 204 H GLU 25 H GLU 25 35.010 58.839 -43.010 205 HA GLU 25 HA GLU 25 36.599 60.087 -40.864 206 1HB GLU 25 2HB GLU 25 36.610 57.869 -39.861 207 2HB GLU 25 1HB GLU 25 36.030 57.142 -41.360 208 1HG GLU 25 1HG GLU 25 34.499 58.304 -39.224 209 2HG GLU 25 2HG GLU 25 34.231 59.244 -40.692 210 H TYR 26 H TYR 26 38.687 58.772 -40.272 211 HA TYR 26 HA TYR 26 40.209 58.207 -42.775 212 1HB TYR 26 1HB TYR 26 41.235 59.794 -40.406 213 2HB TYR 26 2HB TYR 26 42.098 59.481 -41.906 214 HD1 TYR 26 HD1 TYR 26 38.723 60.827 -40.835 215 HD2 TYR 26 HD2 TYR 26 42.107 61.200 -43.457 216 HE1 TYR 26 HE1 TYR 26 37.700 62.796 -41.910 217 HE2 TYR 26 HE2 TYR 26 41.070 63.179 -44.511 218 HH TYR 26 HH TYR 26 37.927 63.923 -44.309 219 H PHE 27 H PHE 27 41.166 56.244 -42.662 220 HA PHE 27 HA PHE 27 41.310 54.856 -40.053 221 1HB PHE 27 1HB PHE 27 40.424 53.812 -42.259 222 2HB PHE 27 2HB PHE 27 42.122 53.699 -42.721 223 HD1 PHE 27 HD1 PHE 27 43.697 52.758 -40.739 224 HD2 PHE 27 HD2 PHE 27 39.499 51.964 -41.184 225 HE1 PHE 27 HE1 PHE 27 43.938 50.709 -39.364 226 HE2 PHE 27 HE2 PHE 27 39.741 49.916 -39.808 227 HZ PHE 27 HZ PHE 27 41.960 49.288 -38.897 228 H ILE 28 H ILE 28 43.227 54.470 -39.019 229 HA ILE 28 HA ILE 28 45.573 55.863 -40.048 230 HB ILE 28 HB ILE 28 45.513 54.096 -37.616 231 1HG1 ILE 28 2HG1 ILE 28 45.003 56.450 -36.522 232 2HG1 ILE 28 1HG1 ILE 28 43.682 55.447 -37.113 233 1HG2 ILE 28 1HG2 ILE 28 47.597 55.281 -38.734 234 2HG2 ILE 28 2HG2 ILE 28 46.948 56.710 -37.930 235 3HG2 ILE 28 3HG2 ILE 28 47.401 55.295 -36.982 236 1HD1 ILE 28 1HD1 ILE 28 44.967 57.406 -38.991 237 2HD1 ILE 28 2HD1 ILE 28 43.314 56.794 -38.981 238 3HD1 ILE 28 3HD1 ILE 28 43.814 57.997 -37.796 239 H LEU 29 H LEU 29 46.263 54.782 -41.834 240 HA LEU 29 HA LEU 29 46.695 51.957 -42.019 241 1HB LEU 29 1HB LEU 29 47.756 54.385 -43.472 242 2HB LEU 29 2HB LEU 29 48.283 52.755 -43.891 243 HG LEU 29 HG LEU 29 45.981 52.091 -44.339 244 1HD1 LEU 29 1HD1 LEU 29 45.347 54.911 -43.444 245 2HD1 LEU 29 2HD1 LEU 29 44.199 53.873 -44.286 246 3HD1 LEU 29 3HD1 LEU 29 44.801 53.412 -42.695 247 1HD2 LEU 29 1HD2 LEU 29 47.501 53.648 -45.926 248 2HD2 LEU 29 2HD2 LEU 29 45.897 53.095 -46.407 249 3HD2 LEU 29 3HD2 LEU 29 46.108 54.713 -45.740 250 H GLU 30 H GLU 30 48.240 54.437 -40.285 251 HA GLU 30 HA GLU 30 50.421 52.594 -39.522 252 1HB GLU 30 1HB GLU 30 51.083 54.104 -41.565 253 2HB GLU 30 2HB GLU 30 51.206 55.377 -40.352 254 1HG GLU 30 1HG GLU 30 53.137 54.539 -39.529 255 2HG GLU 30 2HG GLU 30 52.490 52.898 -39.487 256 H GLU 31 H GLU 31 51.679 55.366 -38.542 257 HA GLU 31 HA GLU 31 50.004 56.650 -36.737 258 1HB GLU 31 1HB GLU 31 50.526 53.887 -35.953 259 2HB GLU 31 2HB GLU 31 51.056 55.029 -34.719 260 1HG GLU 31 1HG GLU 31 48.550 55.963 -35.663 261 2HG GLU 31 2HG GLU 31 48.374 54.230 -35.385 262 H SER 32 H SER 32 51.448 57.090 -34.508 263 HA SER 32 HA SER 32 54.218 57.031 -34.482 264 1HB SER 32 1HB SER 32 53.275 58.653 -36.668 265 2HB SER 32 2HB SER 32 54.117 59.673 -35.506 266 HG SER 32 HG SER 32 55.933 58.615 -35.878 267 H ASN 33 H ASN 33 55.135 59.177 -33.362 268 HA ASN 33 HA ASN 33 53.492 59.592 -31.015 269 1HB ASN 33 1HB ASN 33 55.299 61.304 -30.456 270 2HB ASN 33 2HB ASN 33 55.866 59.652 -30.706 271 2HD2 ASN 33 1HD2 ASN 33 57.907 61.245 -31.120 272 1HD2 ASN 33 2HD2 ASN 33 58.167 61.625 -32.754 273 H LEU 34 H LEU 34 54.443 61.675 -33.753 274 HA LEU 34 HA LEU 34 53.313 64.099 -33.073 275 1HB LEU 34 1HB LEU 34 53.340 62.603 -35.692 276 2HB LEU 34 2HB LEU 34 52.600 64.198 -35.575 277 HG LEU 34 HG LEU 34 55.273 63.976 -34.333 278 1HD1 LEU 34 1HD1 LEU 34 55.121 62.611 -36.641 279 2HD1 LEU 34 2HD1 LEU 34 55.301 64.236 -37.302 280 3HD1 LEU 34 3HD1 LEU 34 56.530 63.584 -36.219 281 1HD2 LEU 34 1HD2 LEU 34 53.516 65.957 -35.389 282 2HD2 LEU 34 2HD2 LEU 34 55.077 66.206 -34.604 283 3HD2 LEU 34 3HD2 LEU 34 54.992 65.998 -36.354 284 1HB PRO 35 1HB PRO 35 48.030 65.886 -33.635 285 2HB PRO 35 2HB PRO 35 48.831 65.748 -32.060 286 1HG PRO 35 2HG PRO 35 50.337 67.262 -32.947 287 2HG PRO 35 1HG PRO 35 49.892 66.864 -34.616 288 1HD PRO 35 1HD PRO 35 51.815 65.612 -34.695 289 2HD PRO 35 2HD PRO 35 52.041 65.724 -32.938 290 H TRP 36 H TRP 36 50.331 64.000 -35.754 291 HA TRP 36 HA TRP 36 47.775 63.108 -37.020 292 1HB TRP 36 1HB TRP 36 48.720 63.980 -39.133 293 2HB TRP 36 2HB TRP 36 48.652 65.243 -37.905 294 HD1 TRP 36 HD1 TRP 36 50.949 65.989 -36.763 295 HE1 TRP 36 HE1 TRP 36 53.393 65.791 -37.558 296 HE3 TRP 36 HE3 TRP 36 50.393 62.519 -40.469 297 HZ2 TRP 36 HZ2 TRP 36 54.912 64.352 -39.508 298 HZ3 TRP 36 HZ3 TRP 36 52.354 61.753 -41.778 299 HH2 TRP 36 HH2 TRP 36 54.609 62.664 -41.303 300 H TRP 37 H TRP 37 48.021 61.471 -38.766 301 HA TRP 37 HA TRP 37 50.533 59.877 -38.503 302 1HB TRP 37 1HB TRP 37 47.694 58.848 -38.248 303 2HB TRP 37 2HB TRP 37 49.087 57.797 -38.503 304 HD1 TRP 37 HD1 TRP 37 51.168 59.294 -36.668 305 HE1 TRP 37 HE1 TRP 37 50.923 59.179 -34.105 306 HE3 TRP 37 HE3 TRP 37 46.217 58.089 -36.307 307 HZ2 TRP 37 HZ2 TRP 37 48.897 58.645 -32.159 308 HZ3 TRP 37 HZ3 TRP 37 45.158 57.783 -34.087 309 HH2 TRP 37 HH2 TRP 37 46.490 58.061 -32.015 310 H ARG 38 H ARG 38 49.617 57.791 -40.229 311 HA ARG 38 HA ARG 38 49.345 59.318 -42.783 312 1HB ARG 38 1HB ARG 38 50.852 56.781 -42.100 313 2HB ARG 38 2HB ARG 38 50.418 57.174 -43.765 314 1HG ARG 38 1HG ARG 38 51.958 58.846 -43.905 315 2HG ARG 38 2HG ARG 38 51.661 59.389 -42.253 316 1HD ARG 38 1HD ARG 38 53.500 58.304 -41.551 317 2HD ARG 38 2HD ARG 38 52.839 56.781 -42.146 318 HE ARG 38 HE ARG 38 53.954 58.335 -44.310 319 1HH1 ARG 38 1HH1 ARG 38 54.161 55.331 -43.248 320 2HH1 ARG 38 2HH1 ARG 38 55.887 55.196 -43.191 321 1HH2 ARG 38 1HH2 ARG 38 56.431 58.602 -43.537 322 2HH2 ARG 38 2HH2 ARG 38 57.172 57.047 -43.354 323 H ALA 39 H ALA 39 47.023 59.152 -42.222 324 HA ALA 39 HA ALA 39 45.898 56.424 -42.541 325 1HB ALA 39 3HB ALA 39 44.661 57.232 -40.816 326 2HB ALA 39 1HB ALA 39 45.129 58.895 -41.156 327 3HB ALA 39 2HB ALA 39 43.796 58.153 -42.042 328 H ARG 40 H ARG 40 43.879 56.292 -43.882 329 HA ARG 40 HA ARG 40 44.128 58.029 -46.304 330 1HB ARG 40 1HB ARG 40 44.646 55.729 -46.869 331 2HB ARG 40 2HB ARG 40 43.211 55.150 -46.021 332 1HG ARG 40 1HG ARG 40 41.744 56.096 -47.630 333 2HG ARG 40 2HG ARG 40 43.019 57.103 -48.317 334 1HD ARG 40 1HD ARG 40 43.031 55.411 -49.878 335 2HD ARG 40 2HD ARG 40 44.155 54.711 -48.714 336 HE ARG 40 HE ARG 40 41.551 53.909 -47.947 337 1HH1 ARG 40 1HH1 ARG 40 44.280 52.872 -49.564 338 2HH1 ARG 40 2HH1 ARG 40 43.497 51.616 -50.465 339 1HH2 ARG 40 1HH2 ARG 40 40.298 52.584 -49.539 340 2HH2 ARG 40 2HH2 ARG 40 41.241 51.454 -50.450 341 H ASP 41 H ASP 41 42.551 59.566 -46.037 342 HA ASP 41 HA ASP 41 40.238 59.426 -44.488 343 1HB ASP 41 2HB ASP 41 41.022 61.474 -45.638 344 2HB ASP 41 1HB ASP 41 39.307 61.187 -45.909 345 H LYS 42 H LYS 42 37.917 59.483 -45.567 346 HA LYS 42 HA LYS 42 37.463 56.818 -46.625 347 1HB LYS 42 1HB LYS 42 35.906 58.563 -45.240 348 2HB LYS 42 2HB LYS 42 35.300 58.832 -46.875 349 1HG LYS 42 2HG LYS 42 35.255 56.214 -47.004 350 2HG LYS 42 1HG LYS 42 33.960 57.057 -46.153 351 1HD LYS 42 1HD LYS 42 36.300 55.540 -45.012 352 2HD LYS 42 2HD LYS 42 35.501 56.792 -44.059 353 1HE LYS 42 1HE LYS 42 33.764 55.430 -43.610 354 2HE LYS 42 2HE LYS 42 33.541 55.071 -45.322 355 1HZ LYS 42 1HZ LYS 42 35.667 53.813 -43.691 356 2HZ LYS 42 2HZ LYS 42 34.121 53.134 -43.851 357 3HZ LYS 42 3HZ LYS 42 35.104 53.339 -45.222 358 H ASN 43 H ASN 43 38.462 59.689 -48.054 359 HA ASN 43 HA ASN 43 37.052 59.368 -50.597 360 1HB ASN 43 1HB ASN 43 38.555 61.408 -49.348 361 2HB ASN 43 2HB ASN 43 39.459 60.954 -50.793 362 2HD2 ASN 43 1HD2 ASN 43 38.731 61.866 -52.725 363 1HD2 ASN 43 2HD2 ASN 43 37.199 62.561 -52.952 364 H GLY 44 H GLY 44 39.319 57.517 -49.170 365 1HA GLY 44 1HA GLY 44 40.729 55.853 -50.046 366 2HA GLY 44 2HA GLY 44 40.136 56.283 -51.651 367 H GLN 45 H GLN 45 41.792 58.363 -49.267 368 HA GLN 45 HA GLN 45 44.081 58.545 -51.165 369 1HB GLN 45 1HB GLN 45 42.190 60.536 -50.911 370 2HB GLN 45 2HB GLN 45 43.415 61.037 -49.744 371 1HG GLN 45 1HG GLN 45 44.831 60.167 -52.027 372 2HG GLN 45 2HG GLN 45 43.509 61.169 -52.627 373 2HE2 GLN 45 1HE2 GLN 45 46.528 61.213 -50.851 374 1HE2 GLN 45 2HE2 GLN 45 46.586 62.891 -50.607 375 H GLU 46 H GLU 46 45.869 57.969 -50.037 376 HA GLU 46 HA GLU 46 45.834 57.963 -47.109 377 1HB GLU 46 2HB GLU 46 47.860 56.761 -47.251 378 2HB GLU 46 1HB GLU 46 48.265 57.454 -48.823 379 1HG GLU 46 1HG GLU 46 45.910 55.605 -48.322 380 2HG GLU 46 2HG GLU 46 46.470 56.199 -49.886 381 H GLY 47 H GLY 47 46.721 59.538 -45.816 382 1HA GLY 47 1HA GLY 47 48.788 61.332 -46.786 383 2HA GLY 47 2HA GLY 47 47.217 62.116 -46.672 384 H TYR 48 H TYR 48 48.463 63.436 -45.054 385 HA TYR 48 HA TYR 48 48.918 62.109 -42.460 386 1HB TYR 48 1HB TYR 48 49.304 64.985 -43.331 387 2HB TYR 48 2HB TYR 48 49.711 64.361 -41.735 388 HD1 TYR 48 HD1 TYR 48 50.303 61.642 -43.743 389 HD2 TYR 48 HD2 TYR 48 51.911 65.555 -42.981 390 HE1 TYR 48 HE1 TYR 48 52.511 60.901 -44.594 391 HE2 TYR 48 HE2 TYR 48 54.118 64.812 -43.832 392 HH TYR 48 HH TYR 48 54.673 62.459 -45.698 393 H ILE 49 H ILE 49 47.630 62.472 -40.632 394 HA ILE 49 HA ILE 49 45.328 64.322 -40.912 395 HB ILE 49 HB ILE 49 45.202 61.381 -40.426 396 1HG1 ILE 49 2HG1 ILE 49 44.041 63.317 -42.395 397 2HG1 ILE 49 1HG1 ILE 49 43.262 61.759 -42.108 398 1HG2 ILE 49 1HG2 ILE 49 43.078 63.448 -39.815 399 2HG2 ILE 49 2HG2 ILE 49 42.801 61.706 -39.841 400 3HG2 ILE 49 3HG2 ILE 49 43.887 62.408 -38.641 401 1HD1 ILE 49 1HD1 ILE 49 46.084 61.335 -42.349 402 2HD1 ILE 49 2HD1 ILE 49 44.800 60.746 -43.403 403 3HD1 ILE 49 3HD1 ILE 49 45.553 62.311 -43.719 404 1HB PRO 50 1HB PRO 50 46.367 67.421 -36.528 405 2HB PRO 50 2HB PRO 50 47.840 66.868 -37.340 406 1HG PRO 50 2HG PRO 50 46.961 67.930 -39.192 407 2HG PRO 50 1HG PRO 50 45.314 67.900 -38.540 408 1HD PRO 50 1HD PRO 50 44.908 66.122 -39.934 409 2HD PRO 50 2HD PRO 50 46.632 65.973 -40.339 410 H SER 51 H SER 51 45.933 64.253 -34.927 411 HA SER 51 HA SER 51 43.067 64.122 -34.894 412 1HB SER 51 1HB SER 51 45.048 64.060 -32.600 413 2HB SER 51 2HB SER 51 43.348 63.616 -32.479 414 HG SER 51 HG SER 51 44.859 61.846 -32.851 415 H ASN 52 H ASN 52 45.326 66.648 -34.113 416 HA ASN 52 HA ASN 52 44.030 68.234 -32.257 417 1HB ASN 52 1HB ASN 52 44.936 70.208 -33.467 418 2HB ASN 52 2HB ASN 52 46.130 68.918 -33.318 419 2HD2 ASN 52 1HD2 ASN 52 46.815 70.492 -35.335 420 1HD2 ASN 52 2HD2 ASN 52 46.345 69.890 -36.850 421 H TYR 53 H TYR 53 43.007 67.554 -35.540 422 HA TYR 53 HA TYR 53 40.654 69.365 -35.123 423 1HB TYR 53 1HB TYR 53 42.232 68.574 -37.533 424 2HB TYR 53 2HB TYR 53 40.496 68.805 -37.746 425 HD1 TYR 53 HD1 TYR 53 42.303 70.632 -35.129 426 HD2 TYR 53 HD2 TYR 53 40.840 70.796 -39.164 427 HE1 TYR 53 HE1 TYR 53 42.634 73.089 -35.149 428 HE2 TYR 53 HE2 TYR 53 41.169 73.254 -39.183 429 HH TYR 53 HH TYR 53 42.534 74.946 -36.356 430 H VAL 54 H VAL 54 41.294 66.514 -37.132 431 HA VAL 54 HA VAL 54 38.737 65.340 -37.123 432 HB VAL 54 HB VAL 54 39.888 63.323 -37.793 433 1HG1 VAL 54 1HG1 VAL 54 40.187 65.672 -39.042 434 2HG1 VAL 54 2HG1 VAL 54 41.880 65.333 -38.680 435 3HG1 VAL 54 3HG1 VAL 54 40.936 64.185 -39.629 436 1HG2 VAL 54 1HG2 VAL 54 42.289 64.599 -36.480 437 2HG2 VAL 54 2HG2 VAL 54 41.416 63.185 -35.894 438 3HG2 VAL 54 3HG2 VAL 54 42.326 63.099 -37.402 439 H THR 55 H THR 55 39.174 62.719 -36.070 440 HA THR 55 HA THR 55 39.856 62.922 -33.289 441 HB THR 55 HB THR 55 37.843 64.278 -33.328 442 HG1 THR 55 HG1 THR 55 37.198 63.426 -31.492 443 1HG2 THR 55 1HG2 THR 55 36.761 63.100 -35.246 444 2HG2 THR 55 2HG2 THR 55 36.371 61.768 -34.160 445 3HG2 THR 55 3HG2 THR 55 35.678 63.364 -33.881 446 H GLU 56 H GLU 56 37.370 60.939 -32.905 447 HA GLU 56 HA GLU 56 37.401 58.613 -32.639 448 1HB GLU 56 1HB GLU 56 38.176 58.708 -35.544 449 2HB GLU 56 2HB GLU 56 37.451 57.350 -34.705 450 1HG GLU 56 1HG GLU 56 36.039 59.977 -34.582 451 2HG GLU 56 2HG GLU 56 35.948 59.056 -36.081 452 H ALA 57 H ALA 57 39.581 57.472 -34.890 453 HA ALA 57 HA ALA 57 41.402 56.505 -32.975 454 1HB ALA 57 1HB ALA 57 41.109 56.150 -35.655 455 2HB ALA 57 2HB ALA 57 42.559 57.153 -35.624 456 3HB ALA 57 3HB ALA 57 42.528 55.621 -34.754 457 H GLU 58 H GLU 58 42.196 58.031 -31.515 458 HA GLU 58 HA GLU 58 43.826 60.245 -32.708 459 1HB GLU 58 1HB GLU 58 43.402 61.347 -30.405 460 2HB GLU 58 2HB GLU 58 42.066 61.327 -31.556 461 1HG GLU 58 2HG GLU 58 41.200 59.261 -30.466 462 2HG GLU 58 1HG GLU 58 41.254 60.632 -29.358 No H/Q in entry = 462 Start of MODEL 18 1 H1 LEU 1 H1 LEU 1 38.666 49.729 -34.428 2 H2 LEU 1 H2 LEU 1 37.709 49.346 -35.778 3 H3 LEU 1 H3 LEU 1 38.650 48.144 -35.040 4 HA LEU 1 HA LEU 1 40.616 48.922 -35.901 5 1HB LEU 1 1HB LEU 1 38.329 48.871 -37.683 6 2HB LEU 1 2HB LEU 1 39.544 50.009 -38.266 7 HG LEU 1 HG LEU 1 41.035 47.808 -37.421 8 1HD1 LEU 1 1HD1 LEU 1 38.681 46.684 -37.411 9 2HD1 LEU 1 2HD1 LEU 1 38.823 46.746 -39.168 10 3HD1 LEU 1 3HD1 LEU 1 40.009 45.850 -38.218 11 1HD2 LEU 1 1HD2 LEU 1 40.074 48.825 -40.093 12 2HD2 LEU 1 2HD2 LEU 1 41.677 48.969 -39.372 13 3HD2 LEU 1 3HD2 LEU 1 41.125 47.412 -39.994 14 H LYS 2 H LYS 2 41.889 50.733 -36.794 15 HA LYS 2 HA LYS 2 41.349 53.207 -35.398 16 1HB LYS 2 1HB LYS 2 43.515 52.046 -36.947 17 2HB LYS 2 2HB LYS 2 43.263 53.736 -37.382 18 1HG LYS 2 2HG LYS 2 43.045 53.534 -34.545 19 2HG LYS 2 1HG LYS 2 44.281 54.374 -35.483 20 1HD LYS 2 1HD LYS 2 44.974 51.686 -35.727 21 2HD LYS 2 2HD LYS 2 45.743 52.858 -34.657 22 1HE LYS 2 1HE LYS 2 43.214 51.627 -33.686 23 2HE LYS 2 2HE LYS 2 44.634 50.583 -33.740 24 1HZ LYS 2 1HZ LYS 2 44.536 53.248 -32.434 25 2HZ LYS 2 2HZ LYS 2 44.405 51.763 -31.618 26 3HZ LYS 2 3HZ LYS 2 45.845 52.165 -32.420 27 H LYS 3 H LYS 3 39.732 54.543 -36.068 28 HA LYS 3 HA LYS 3 39.610 55.205 -38.975 29 1HB LYS 3 1HB LYS 3 37.455 54.124 -37.226 30 2HB LYS 3 2HB LYS 3 37.002 55.411 -38.345 31 1HG LYS 3 1HG LYS 3 37.703 54.157 -40.239 32 2HG LYS 3 2HG LYS 3 38.581 52.997 -39.242 33 1HD LYS 3 2HD LYS 3 36.312 52.433 -38.179 34 2HD LYS 3 1HD LYS 3 36.564 51.886 -39.837 35 1HE LYS 3 1HE LYS 3 34.831 54.107 -38.808 36 2HE LYS 3 2HE LYS 3 35.520 54.251 -40.425 37 1HZ LYS 3 1HZ LYS 3 34.579 51.670 -40.240 38 2HZ LYS 3 2HZ LYS 3 33.367 52.631 -39.535 39 3HZ LYS 3 3HZ LYS 3 33.886 52.948 -41.119 40 H VAL 4 H VAL 4 40.968 56.934 -37.618 41 HA VAL 4 HA VAL 4 39.820 58.809 -35.897 42 HB VAL 4 HB VAL 4 42.211 58.729 -36.782 43 1HG1 VAL 4 1HG1 VAL 4 41.589 58.707 -39.178 44 2HG1 VAL 4 2HG1 VAL 4 40.966 60.349 -39.020 45 3HG1 VAL 4 3HG1 VAL 4 42.687 60.033 -38.795 46 1HG2 VAL 4 1HG2 VAL 4 40.633 61.294 -36.591 47 2HG2 VAL 4 2HG2 VAL 4 41.650 60.545 -35.360 48 3HG2 VAL 4 3HG2 VAL 4 42.388 61.286 -36.777 49 H VAL 5 H VAL 5 38.040 60.109 -36.111 50 HA VAL 5 HA VAL 5 36.823 60.381 -38.766 51 HB VAL 5 HB VAL 5 35.884 60.201 -36.094 52 1HG1 VAL 5 1HG1 VAL 5 35.873 62.721 -36.171 53 2HG1 VAL 5 2HG1 VAL 5 34.792 62.624 -37.557 54 3HG1 VAL 5 3HG1 VAL 5 34.272 62.014 -35.987 55 1HG2 VAL 5 1HG2 VAL 5 34.962 60.013 -38.875 56 2HG2 VAL 5 2HG2 VAL 5 34.659 58.941 -37.508 57 3HG2 VAL 5 3HG2 VAL 5 33.696 60.405 -37.712 58 H ALA 6 H ALA 6 37.013 62.152 -40.017 59 HA ALA 6 HA ALA 6 38.634 64.366 -39.476 60 1HB ALA 6 3HB ALA 6 38.008 64.253 -41.714 61 2HB ALA 6 2HB ALA 6 36.960 65.552 -41.147 62 3HB ALA 6 1HB ALA 6 36.320 63.920 -41.327 63 H LEU 7 H LEU 7 37.568 66.715 -39.536 64 HA LEU 7 HA LEU 7 35.232 66.986 -37.789 65 1HB LEU 7 1HB LEU 7 37.709 66.775 -36.584 66 2HB LEU 7 2HB LEU 7 37.510 68.517 -36.747 67 HG LEU 7 HG LEU 7 36.601 67.566 -34.615 68 1HD1 LEU 7 1HD1 LEU 7 35.296 69.327 -36.523 69 2HD1 LEU 7 2HD1 LEU 7 34.125 68.560 -35.449 70 3HD1 LEU 7 3HD1 LEU 7 35.454 69.502 -34.775 71 1HD2 LEU 7 1HD2 LEU 7 35.708 65.493 -35.943 72 2HD2 LEU 7 2HD2 LEU 7 34.769 66.112 -34.586 73 3HD2 LEU 7 3HD2 LEU 7 34.303 66.516 -36.238 74 H TYR 8 H TYR 8 38.082 68.799 -38.958 75 HA TYR 8 HA TYR 8 36.181 70.824 -40.063 76 1HB TYR 8 1HB TYR 8 38.943 71.362 -38.930 77 2HB TYR 8 2HB TYR 8 37.790 72.566 -39.510 78 HD1 TYR 8 HD1 TYR 8 35.361 72.369 -38.400 79 HD2 TYR 8 HD2 TYR 8 39.004 70.938 -36.631 80 HE1 TYR 8 HE1 TYR 8 34.307 72.457 -36.160 81 HE2 TYR 8 HE2 TYR 8 37.947 71.025 -34.390 82 HH TYR 8 HH TYR 8 34.591 72.164 -33.984 83 H ASP 9 H ASP 9 36.620 71.506 -42.162 84 HA ASP 9 HA ASP 9 37.980 69.840 -43.947 85 1HB ASP 9 1HB ASP 9 36.528 72.194 -44.154 86 2HB ASP 9 2HB ASP 9 38.126 72.653 -44.742 87 H TYR 10 H TYR 10 40.110 69.348 -44.046 88 HA TYR 10 HA TYR 10 42.073 71.527 -43.483 89 1HB TYR 10 1HB TYR 10 41.805 69.758 -41.619 90 2HB TYR 10 2HB TYR 10 42.580 68.644 -42.746 91 HD1 TYR 10 HD1 TYR 10 43.012 71.796 -40.840 92 HD2 TYR 10 HD2 TYR 10 44.922 68.810 -43.265 93 HE1 TYR 10 HE1 TYR 10 45.231 72.722 -40.232 94 HE2 TYR 10 HE2 TYR 10 47.141 69.736 -42.657 95 HH TYR 10 HH TYR 10 47.430 72.689 -40.717 96 H MET 11 H MET 11 42.665 71.892 -45.615 97 HA MET 11 HA MET 11 43.128 69.687 -47.459 98 1HB MET 11 1HB MET 11 44.033 71.611 -48.916 99 2HB MET 11 2HB MET 11 42.325 71.675 -48.482 100 1HG MET 11 1HG MET 11 42.611 73.457 -47.059 101 2HG MET 11 2HG MET 11 44.239 72.963 -46.598 102 1HE MET 11 1HE MET 11 42.020 74.963 -48.111 103 2HE MET 11 2HE MET 11 43.127 76.328 -48.238 104 3HE MET 11 3HE MET 11 42.543 75.538 -49.700 105 1HB PRO 12 1HB PRO 12 48.308 68.529 -49.216 106 2HB PRO 12 2HB PRO 12 47.370 67.417 -48.205 107 1HG PRO 12 2HG PRO 12 45.856 67.460 -49.950 108 2HG PRO 12 1HG PRO 12 46.490 68.989 -50.583 109 1HD PRO 12 1HD PRO 12 44.681 70.009 -49.599 110 2HD PRO 12 2HD PRO 12 44.262 68.535 -48.700 111 H MET 13 H MET 13 48.609 70.985 -46.201 112 HA MET 13 HA MET 13 49.343 72.782 -48.480 113 1HB MET 13 1HB MET 13 47.836 73.496 -46.274 114 2HB MET 13 2HB MET 13 49.463 73.992 -45.809 115 1HG MET 13 1HG MET 13 49.287 74.802 -48.458 116 2HG MET 13 2HG MET 13 47.676 75.139 -47.823 117 1HE MET 13 1HE MET 13 46.996 76.863 -46.785 118 2HE MET 13 2HE MET 13 47.538 76.499 -45.141 119 3HE MET 13 3HE MET 13 47.844 78.086 -45.842 120 H ASN 14 H ASN 14 50.456 70.685 -46.058 121 HA ASN 14 HA ASN 14 53.239 71.509 -46.622 122 1HB ASN 14 1HB ASN 14 51.869 72.044 -44.109 123 2HB ASN 14 2HB ASN 14 53.282 71.017 -43.869 124 2HD2 ASN 14 1HD2 ASN 14 52.891 73.959 -43.211 125 1HD2 ASN 14 2HD2 ASN 14 54.163 74.753 -44.007 126 H ALA 15 H ALA 15 51.586 69.382 -44.255 127 HA ALA 15 HA ALA 15 53.447 67.210 -44.917 128 1HB ALA 15 1HB ALA 15 51.180 67.538 -42.955 129 2HB ALA 15 3HB ALA 15 52.893 67.277 -42.624 130 3HB ALA 15 2HB ALA 15 51.904 65.957 -43.249 131 H ASN 16 H ASN 16 51.013 68.360 -46.641 132 HA ASN 16 HA ASN 16 49.566 67.442 -48.244 133 1HB ASN 16 1HB ASN 16 51.863 66.026 -48.425 134 2HB ASN 16 2HB ASN 16 50.754 64.731 -47.970 135 2HD2 ASN 16 1HD2 ASN 16 49.457 63.879 -49.623 136 1HD2 ASN 16 2HD2 ASN 16 49.263 64.586 -51.153 137 H ASP 17 H ASP 17 48.533 67.513 -45.667 138 HA ASP 17 HA ASP 17 47.573 65.005 -44.689 139 1HB ASP 17 1HB ASP 17 46.630 67.853 -44.389 140 2HB ASP 17 2HB ASP 17 45.738 66.516 -43.663 141 H LEU 18 H LEU 18 45.272 64.232 -44.821 142 HA LEU 18 HA LEU 18 44.321 64.337 -47.596 143 1HB LEU 18 1HB LEU 18 43.762 62.787 -45.135 144 2HB LEU 18 2HB LEU 18 42.357 63.063 -46.148 145 HG LEU 18 HG LEU 18 42.993 61.399 -47.515 146 1HD1 LEU 18 1HD1 LEU 18 45.516 63.017 -47.758 147 2HD1 LEU 18 2HD1 LEU 18 45.423 61.411 -48.476 148 3HD1 LEU 18 3HD1 LEU 18 44.298 62.668 -48.983 149 1HD2 LEU 18 1HD2 LEU 18 43.853 60.469 -45.391 150 2HD2 LEU 18 2HD2 LEU 18 44.783 59.905 -46.774 151 3HD2 LEU 18 3HD2 LEU 18 45.432 61.171 -45.736 152 H GLN 19 H GLN 19 42.938 65.872 -48.329 153 HA GLN 19 HA GLN 19 41.907 67.999 -46.853 154 1HB GLN 19 1HB GLN 19 41.826 67.844 -49.338 155 2HB GLN 19 2HB GLN 19 40.531 66.653 -49.201 156 1HG GLN 19 1HG GLN 19 39.046 68.246 -48.206 157 2HG GLN 19 2HG GLN 19 40.350 69.410 -47.967 158 2HE2 GLN 19 1HE2 GLN 19 37.734 69.372 -49.712 159 1HE2 GLN 19 2HE2 GLN 19 38.285 69.908 -51.226 160 H LEU 20 H LEU 20 41.070 67.359 -44.841 161 HA LEU 20 HA LEU 20 39.308 65.234 -44.330 162 1HB LEU 20 1HB LEU 20 39.491 67.934 -42.988 163 2HB LEU 20 2HB LEU 20 38.555 66.582 -42.357 164 HG LEU 20 HG LEU 20 41.512 66.942 -42.493 165 1HD1 LEU 20 1HD1 LEU 20 39.508 65.715 -40.596 166 2HD1 LEU 20 2HD1 LEU 20 41.251 65.621 -40.341 167 3HD1 LEU 20 3HD1 LEU 20 40.448 67.191 -40.368 168 1HD2 LEU 20 1HD2 LEU 20 41.087 64.922 -43.908 169 2HD2 LEU 20 2HD2 LEU 20 41.913 64.523 -42.403 170 3HD2 LEU 20 3HD2 LEU 20 40.186 64.210 -42.570 171 H ARG 21 H ARG 21 37.004 65.209 -44.003 172 HA ARG 21 HA ARG 21 35.524 67.315 -45.510 173 1HB ARG 21 1HB ARG 21 35.684 65.298 -46.926 174 2HB ARG 21 2HB ARG 21 35.018 64.323 -45.615 175 1HG ARG 21 1HG ARG 21 32.887 65.195 -45.859 176 2HG ARG 21 2HG ARG 21 33.476 66.724 -46.513 177 1HD ARG 21 1HD ARG 21 34.189 65.458 -48.584 178 2HD ARG 21 2HD ARG 21 33.336 64.056 -47.938 179 HE ARG 21 HE ARG 21 32.077 66.535 -48.945 180 1HH1 ARG 21 1HH1 ARG 21 31.620 64.062 -46.662 181 2HH1 ARG 21 2HH1 ARG 21 30.016 63.664 -47.180 182 1HH2 ARG 21 1HH2 ARG 21 30.089 65.787 -49.920 183 2HH2 ARG 21 2HH2 ARG 21 29.149 64.641 -49.025 184 H LYS 22 H LYS 22 36.081 66.778 -42.675 185 HA LYS 22 HA LYS 22 34.968 66.431 -40.617 186 1HB LYS 22 1HB LYS 22 32.864 68.205 -41.821 187 2HB LYS 22 2HB LYS 22 33.564 68.255 -40.203 188 1HG LYS 22 1HG LYS 22 35.613 69.164 -41.006 189 2HG LYS 22 2HG LYS 22 35.195 68.811 -42.683 190 1HD LYS 22 2HD LYS 22 34.817 71.166 -42.354 191 2HD LYS 22 1HD LYS 22 33.916 70.871 -40.867 192 1HE LYS 22 1HE LYS 22 32.961 69.578 -43.394 193 2HE LYS 22 2HE LYS 22 32.033 70.135 -42.001 194 1HZ LYS 22 1HZ LYS 22 33.055 72.430 -42.855 195 2HZ LYS 22 2HZ LYS 22 32.939 71.605 -44.335 196 3HZ LYS 22 3HZ LYS 22 31.556 71.828 -43.380 197 H GLY 23 H GLY 23 34.149 64.341 -40.440 198 1HA GLY 23 1HA GLY 23 31.763 63.489 -39.917 199 2HA GLY 23 2HA GLY 23 31.440 63.862 -41.612 200 H ASP 24 H ASP 24 33.052 62.799 -43.186 201 HA ASP 24 HA ASP 24 32.930 59.988 -42.957 202 1HB ASP 24 2HB ASP 24 34.565 59.922 -44.780 203 2HB ASP 24 1HB ASP 24 35.026 61.594 -44.458 204 H GLU 25 H GLU 25 34.606 58.439 -42.371 205 HA GLU 25 HA GLU 25 36.461 59.570 -40.330 206 1HB GLU 25 2HB GLU 25 36.442 57.464 -39.280 207 2HB GLU 25 1HB GLU 25 35.959 56.626 -40.756 208 1HG GLU 25 2HG GLU 25 34.025 58.663 -39.933 209 2HG GLU 25 1HG GLU 25 34.256 57.417 -38.706 210 H TYR 26 H TYR 26 38.597 58.309 -40.182 211 HA TYR 26 HA TYR 26 39.619 57.706 -42.917 212 1HB TYR 26 1HB TYR 26 41.063 59.345 -40.818 213 2HB TYR 26 2HB TYR 26 41.627 59.005 -42.446 214 HD1 TYR 26 HD1 TYR 26 38.462 60.324 -40.836 215 HD2 TYR 26 HD2 TYR 26 41.401 60.741 -43.942 216 HE1 TYR 26 HE1 TYR 26 37.254 62.290 -41.731 217 HE2 TYR 26 HE2 TYR 26 40.189 62.722 -44.813 218 HH TYR 26 HH TYR 26 37.748 63.559 -44.734 219 H PHE 27 H PHE 27 40.866 55.885 -42.988 220 HA PHE 27 HA PHE 27 41.238 54.350 -40.510 221 1HB PHE 27 1HB PHE 27 42.216 53.591 -43.271 222 2HB PHE 27 2HB PHE 27 41.826 52.521 -41.925 223 HD1 PHE 27 HD1 PHE 27 39.316 52.946 -40.966 224 HD2 PHE 27 HD2 PHE 27 40.644 53.704 -44.981 225 HE1 PHE 27 HE1 PHE 27 36.976 52.782 -41.772 226 HE2 PHE 27 HE2 PHE 27 38.304 53.540 -45.786 227 HZ PHE 27 HZ PHE 27 36.470 53.079 -44.181 228 H ILE 28 H ILE 28 43.114 54.293 -39.387 229 HA ILE 28 HA ILE 28 45.321 55.959 -40.331 230 HB ILE 28 HB ILE 28 45.226 54.298 -37.819 231 1HG1 ILE 28 2HG1 ILE 28 44.512 56.657 -36.888 232 2HG1 ILE 28 1HG1 ILE 28 43.289 55.591 -37.576 233 1HG2 ILE 28 1HG2 ILE 28 46.788 56.703 -38.777 234 2HG2 ILE 28 2HG2 ILE 28 46.695 56.258 -37.072 235 3HG2 ILE 28 3HG2 ILE 28 47.416 55.146 -38.237 236 1HD1 ILE 28 1HD1 ILE 28 44.713 57.518 -39.385 237 2HD1 ILE 28 2HD1 ILE 28 43.083 56.858 -39.521 238 3HD1 ILE 28 3HD1 ILE 28 43.427 58.121 -38.341 239 H LEU 29 H LEU 29 46.316 54.934 -42.015 240 HA LEU 29 HA LEU 29 47.076 52.168 -42.025 241 1HB LEU 29 1HB LEU 29 47.986 54.627 -43.540 242 2HB LEU 29 2HB LEU 29 48.625 53.017 -43.874 243 HG LEU 29 HG LEU 29 46.838 53.330 -45.407 244 1HD1 LEU 29 1HD1 LEU 29 46.858 51.165 -44.064 245 2HD1 LEU 29 2HD1 LEU 29 45.548 51.857 -43.110 246 3HD1 LEU 29 3HD1 LEU 29 45.325 51.571 -44.836 247 1HD2 LEU 29 1HD2 LEU 29 45.865 55.283 -44.151 248 2HD2 LEU 29 2HD2 LEU 29 44.666 54.180 -44.821 249 3HD2 LEU 29 3HD2 LEU 29 45.052 54.121 -43.103 250 H GLU 30 H GLU 30 48.158 54.812 -40.220 251 HA GLU 30 HA GLU 30 50.253 53.388 -38.935 252 1HB GLU 30 1HB GLU 30 51.151 54.067 -41.381 253 2HB GLU 30 2HB GLU 30 51.508 55.571 -40.531 254 1HG GLU 30 1HG GLU 30 52.671 54.214 -38.760 255 2HG GLU 30 2HG GLU 30 52.449 52.791 -39.778 256 H GLU 31 H GLU 31 51.458 54.891 -37.412 257 HA GLU 31 HA GLU 31 50.124 57.532 -37.090 258 1HB GLU 31 1HB GLU 31 49.958 57.019 -34.593 259 2HB GLU 31 2HB GLU 31 48.816 56.162 -35.629 260 1HG GLU 31 1HG GLU 31 50.902 54.424 -35.678 261 2HG GLU 31 2HG GLU 31 51.106 55.111 -34.066 262 H SER 32 H SER 32 51.293 58.589 -34.992 263 HA SER 32 HA SER 32 54.044 57.840 -34.544 264 1HB SER 32 1HB SER 32 53.740 59.021 -36.977 265 2HB SER 32 2HB SER 32 53.994 60.440 -35.965 266 HG SER 32 HG SER 32 55.640 58.199 -35.617 267 H ASN 33 H ASN 33 55.091 60.381 -33.941 268 HA ASN 33 HA ASN 33 53.614 60.973 -31.492 269 1HB ASN 33 1HB ASN 33 56.058 62.287 -32.720 270 2HB ASN 33 2HB ASN 33 55.435 62.621 -31.103 271 2HD2 ASN 33 1HD2 ASN 33 57.290 60.356 -33.015 272 1HD2 ASN 33 2HD2 ASN 33 57.641 59.276 -31.753 273 H LEU 34 H LEU 34 54.417 62.769 -34.471 274 HA LEU 34 HA LEU 34 53.280 65.238 -33.980 275 1HB LEU 34 1HB LEU 34 53.319 63.496 -36.430 276 2HB LEU 34 2HB LEU 34 52.441 65.024 -36.468 277 HG LEU 34 HG LEU 34 55.121 65.220 -35.267 278 1HD1 LEU 34 1HD1 LEU 34 54.717 64.297 -38.113 279 2HD1 LEU 34 2HD1 LEU 34 56.134 65.237 -37.645 280 3HD1 LEU 34 3HD1 LEU 34 55.835 63.665 -36.904 281 1HD2 LEU 34 1HD2 LEU 34 53.218 66.776 -36.849 282 2HD2 LEU 34 2HD2 LEU 34 54.485 67.336 -35.758 283 3HD2 LEU 34 3HD2 LEU 34 54.872 66.953 -37.436 284 1HB PRO 35 1HB PRO 35 47.956 66.906 -34.607 285 2HB PRO 35 2HB PRO 35 48.803 66.971 -33.051 286 1HG PRO 35 2HG PRO 35 50.260 68.381 -34.164 287 2HG PRO 35 1HG PRO 35 49.780 67.769 -35.757 288 1HD PRO 35 1HD PRO 35 51.728 66.546 -35.721 289 2HD PRO 35 2HD PRO 35 51.980 66.869 -33.994 290 H TRP 36 H TRP 36 50.073 65.085 -36.646 291 HA TRP 36 HA TRP 36 47.531 63.901 -37.640 292 1HB TRP 36 1HB TRP 36 48.634 64.406 -39.919 293 2HB TRP 36 2HB TRP 36 48.113 65.788 -38.957 294 HD1 TRP 36 HD1 TRP 36 51.331 63.645 -39.257 295 HE1 TRP 36 HE1 TRP 36 53.358 65.235 -39.137 296 HE3 TRP 36 HE3 TRP 36 48.921 68.105 -38.633 297 HZ2 TRP 36 HZ2 TRP 36 53.886 68.028 -38.817 298 HZ3 TRP 36 HZ3 TRP 36 50.208 70.211 -38.423 299 HH2 TRP 36 HH2 TRP 36 52.686 70.179 -38.514 300 H TRP 37 H TRP 37 47.615 61.943 -38.947 301 HA TRP 37 HA TRP 37 50.178 60.424 -38.583 302 1HB TRP 37 1HB TRP 37 47.324 59.403 -38.467 303 2HB TRP 37 2HB TRP 37 48.750 58.369 -38.455 304 HD1 TRP 37 HD1 TRP 37 50.338 60.698 -36.627 305 HE1 TRP 37 HE1 TRP 37 49.903 60.620 -34.088 306 HE3 TRP 37 HE3 TRP 37 46.013 57.983 -36.557 307 HZ2 TRP 37 HZ2 TRP 37 47.978 59.546 -32.268 308 HZ3 TRP 37 HZ3 TRP 37 44.904 57.443 -34.407 309 HH2 TRP 37 HH2 TRP 37 45.879 58.222 -32.264 310 H ARG 38 H ARG 38 49.259 58.197 -40.162 311 HA ARG 38 HA ARG 38 49.150 59.472 -42.864 312 1HB ARG 38 1HB ARG 38 51.341 58.415 -42.451 313 2HB ARG 38 2HB ARG 38 50.539 56.904 -42.020 314 1HG ARG 38 1HG ARG 38 49.409 57.222 -44.405 315 2HG ARG 38 2HG ARG 38 50.858 58.182 -44.707 316 1HD ARG 38 1HD ARG 38 52.012 56.044 -43.556 317 2HD ARG 38 2HD ARG 38 50.589 55.254 -44.235 318 HE ARG 38 HE ARG 38 51.661 56.849 -46.292 319 1HH1 ARG 38 1HH1 ARG 38 51.344 53.733 -45.951 320 2HH1 ARG 38 2HH1 ARG 38 52.946 53.239 -46.386 321 1HH2 ARG 38 1HH2 ARG 38 54.282 56.430 -46.140 322 2HH2 ARG 38 2HH2 ARG 38 54.610 54.765 -46.494 323 H ALA 39 H ALA 39 46.812 59.295 -42.643 324 HA ALA 39 HA ALA 39 45.812 56.483 -42.789 325 1HB ALA 39 3HB ALA 39 44.378 57.207 -41.191 326 2HB ALA 39 1HB ALA 39 44.952 58.860 -41.364 327 3HB ALA 39 2HB ALA 39 43.657 58.262 -42.399 328 H ARG 40 H ARG 40 43.777 56.293 -44.142 329 HA ARG 40 HA ARG 40 44.004 57.985 -46.602 330 1HB ARG 40 1HB ARG 40 44.600 55.731 -47.190 331 2HB ARG 40 2HB ARG 40 43.261 55.066 -46.252 332 1HG ARG 40 1HG ARG 40 41.651 55.767 -47.807 333 2HG ARG 40 2HG ARG 40 42.721 56.979 -48.511 334 1HD ARG 40 1HD ARG 40 42.310 54.767 -49.831 335 2HD ARG 40 2HD ARG 40 43.960 55.379 -49.703 336 HE ARG 40 HE ARG 40 42.927 53.254 -47.865 337 1HH1 ARG 40 1HH1 ARG 40 44.719 53.699 -50.653 338 2HH1 ARG 40 2HH1 ARG 40 46.138 52.882 -50.090 339 1HH2 ARG 40 1HH2 ARG 40 45.002 52.595 -46.826 340 2HH2 ARG 40 2HH2 ARG 40 46.299 52.257 -47.924 341 H ASP 41 H ASP 41 42.352 59.452 -46.420 342 HA ASP 41 HA ASP 41 40.054 59.199 -44.833 343 1HB ASP 41 2HB ASP 41 40.771 61.311 -45.871 344 2HB ASP 41 1HB ASP 41 39.071 60.983 -46.191 345 H LYS 42 H LYS 42 37.740 59.243 -45.871 346 HA LYS 42 HA LYS 42 37.306 56.609 -47.001 347 1HB LYS 42 1HB LYS 42 35.616 57.488 -45.534 348 2HB LYS 42 2HB LYS 42 35.455 58.955 -46.502 349 1HG LYS 42 1HG LYS 42 34.331 57.854 -48.229 350 2HG LYS 42 2HG LYS 42 34.982 56.277 -47.779 351 1HD LYS 42 1HD LYS 42 33.508 56.054 -45.950 352 2HD LYS 42 2HD LYS 42 33.140 57.779 -45.924 353 1HE LYS 42 1HE LYS 42 31.313 57.297 -47.157 354 2HE LYS 42 2HE LYS 42 32.413 56.962 -48.495 355 1HZ LYS 42 1HZ LYS 42 32.619 54.666 -47.378 356 2HZ LYS 42 2HZ LYS 42 31.166 55.078 -46.606 357 3HZ LYS 42 3HZ LYS 42 31.235 55.008 -48.302 358 H ASN 43 H ASN 43 38.173 59.565 -48.381 359 HA ASN 43 HA ASN 43 36.715 59.207 -50.897 360 1HB ASN 43 1HB ASN 43 38.391 61.250 -49.674 361 2HB ASN 43 2HB ASN 43 38.844 60.966 -51.354 362 2HD2 ASN 43 1HD2 ASN 43 37.357 61.619 -53.003 363 1HD2 ASN 43 2HD2 ASN 43 35.898 62.417 -52.667 364 H GLY 44 H GLY 44 39.068 57.424 -49.580 365 1HA GLY 44 1HA GLY 44 40.562 55.876 -50.520 366 2HA GLY 44 2HA GLY 44 39.919 56.317 -52.103 367 H GLN 45 H GLN 45 41.519 58.388 -49.672 368 HA GLN 45 HA GLN 45 43.725 58.796 -51.632 369 1HB GLN 45 1HB GLN 45 41.739 60.698 -50.853 370 2HB GLN 45 2HB GLN 45 43.271 61.196 -50.134 371 1HG GLN 45 1HG GLN 45 44.271 60.709 -52.490 372 2HG GLN 45 2HG GLN 45 42.598 60.801 -53.042 373 2HE2 GLN 45 1HE2 GLN 45 41.636 62.879 -53.203 374 1HE2 GLN 45 2HE2 GLN 45 42.436 64.316 -52.785 375 H GLU 46 H GLU 46 45.557 58.157 -50.617 376 HA GLU 46 HA GLU 46 45.665 57.972 -47.699 377 1HB GLU 46 2HB GLU 46 47.736 56.866 -48.016 378 2HB GLU 46 1HB GLU 46 48.005 57.640 -49.579 379 1HG GLU 46 1HG GLU 46 45.782 55.659 -48.983 380 2HG GLU 46 2HG GLU 46 46.145 56.377 -50.552 381 H GLY 47 H GLY 47 46.537 59.514 -46.353 382 1HA GLY 47 1HA GLY 47 48.545 61.392 -47.255 383 2HA GLY 47 2HA GLY 47 46.960 62.143 -47.151 384 H TYR 48 H TYR 48 48.055 63.469 -45.490 385 HA TYR 48 HA TYR 48 48.501 62.092 -42.908 386 1HB TYR 48 1HB TYR 48 49.385 64.619 -44.131 387 2HB TYR 48 2HB TYR 48 48.945 64.759 -42.429 388 HD1 TYR 48 HD1 TYR 48 50.219 61.664 -44.009 389 HD2 TYR 48 HD2 TYR 48 51.172 65.046 -41.538 390 HE1 TYR 48 HE1 TYR 48 52.360 60.590 -43.364 391 HE2 TYR 48 HE2 TYR 48 53.312 63.973 -40.893 392 HH TYR 48 HH TYR 48 54.120 61.400 -40.794 393 H ILE 49 H ILE 49 47.060 62.229 -41.242 394 HA ILE 49 HA ILE 49 44.775 64.125 -41.551 395 HB ILE 49 HB ILE 49 44.803 61.291 -40.590 396 1HG1 ILE 49 2HG1 ILE 49 43.498 62.712 -42.905 397 2HG1 ILE 49 1HG1 ILE 49 43.060 61.076 -42.409 398 1HG2 ILE 49 1HG2 ILE 49 42.721 63.440 -40.315 399 2HG2 ILE 49 2HG2 ILE 49 42.255 61.741 -40.400 400 3HG2 ILE 49 3HG2 ILE 49 43.296 62.306 -39.093 401 1HD1 ILE 49 1HD1 ILE 49 45.835 61.001 -42.501 402 2HD1 ILE 49 2HD1 ILE 49 44.750 60.382 -43.747 403 3HD1 ILE 49 3HD1 ILE 49 45.412 62.012 -43.883 404 1HB PRO 50 1HB PRO 50 44.703 67.522 -37.276 405 2HB PRO 50 2HB PRO 50 46.151 67.577 -38.296 406 1HG PRO 50 2HG PRO 50 44.657 68.054 -39.994 407 2HG PRO 50 1HG PRO 50 43.287 67.364 -39.109 408 1HD PRO 50 1HD PRO 50 43.514 65.517 -40.460 409 2HD PRO 50 2HD PRO 50 45.093 66.070 -41.060 410 H SER 51 H SER 51 45.868 64.962 -35.489 411 HA SER 51 HA SER 51 43.210 63.759 -35.010 412 1HB SER 51 1HB SER 51 45.781 63.814 -33.432 413 2HB SER 51 2HB SER 51 44.292 63.116 -32.809 414 HG SER 51 HG SER 51 45.972 62.257 -34.869 415 H ASN 52 H ASN 52 44.884 66.701 -34.492 416 HA ASN 52 HA ASN 52 43.664 67.492 -32.003 417 1HB ASN 52 1HB ASN 52 44.279 69.844 -32.875 418 2HB ASN 52 2HB ASN 52 45.599 68.702 -32.616 419 2HD2 ASN 52 1HD2 ASN 52 43.722 70.383 -35.093 420 1HD2 ASN 52 2HD2 ASN 52 44.710 69.939 -36.399 421 H TYR 53 H TYR 53 42.365 67.134 -35.127 422 HA TYR 53 HA TYR 53 40.072 68.923 -34.367 423 1HB TYR 53 1HB TYR 53 41.109 68.246 -37.140 424 2HB TYR 53 2HB TYR 53 39.660 69.196 -36.808 425 HD1 TYR 53 HD1 TYR 53 40.573 70.751 -34.428 426 HD2 TYR 53 HD2 TYR 53 42.573 69.837 -38.118 427 HE1 TYR 53 HE1 TYR 53 41.966 72.788 -34.178 428 HE2 TYR 53 HE2 TYR 53 43.966 71.875 -37.868 429 HH TYR 53 HH TYR 53 44.667 73.439 -36.311 430 H VAL 54 H VAL 54 40.832 66.202 -36.514 431 HA VAL 54 HA VAL 54 38.260 65.016 -36.738 432 HB VAL 54 HB VAL 54 39.521 63.036 -37.391 433 1HG1 VAL 54 1HG1 VAL 54 39.811 65.467 -38.541 434 2HG1 VAL 54 2HG1 VAL 54 41.492 65.108 -38.157 435 3HG1 VAL 54 3HG1 VAL 54 40.567 64.005 -39.174 436 1HG2 VAL 54 1HG2 VAL 54 41.684 64.384 -35.788 437 2HG2 VAL 54 2HG2 VAL 54 40.977 62.792 -35.521 438 3HG2 VAL 54 3HG2 VAL 54 42.025 63.073 -36.915 439 H THR 55 H THR 55 38.943 62.365 -35.752 440 HA THR 55 HA THR 55 39.323 62.502 -32.906 441 HB THR 55 HB THR 55 37.075 63.545 -33.240 442 HG1 THR 55 HG1 THR 55 37.856 62.182 -31.367 443 1HG2 THR 55 1HG2 THR 55 36.666 61.405 -34.953 444 2HG2 THR 55 2HG2 THR 55 35.693 60.994 -33.540 445 3HG2 THR 55 3HG2 THR 55 35.431 62.523 -34.377 446 H GLU 56 H GLU 56 37.169 60.155 -32.851 447 HA GLU 56 HA GLU 56 37.584 57.835 -32.704 448 1HB GLU 56 1HB GLU 56 38.104 58.403 -35.623 449 2HB GLU 56 2HB GLU 56 37.794 56.808 -34.953 450 1HG GLU 56 1HG GLU 56 35.869 59.059 -34.432 451 2HG GLU 56 2HG GLU 56 35.797 58.169 -35.954 452 H ALA 57 H ALA 57 39.763 57.173 -35.121 453 HA ALA 57 HA ALA 57 41.857 56.512 -33.285 454 1HB ALA 57 2HB ALA 57 42.257 56.928 -36.245 455 2HB ALA 57 1HB ALA 57 41.370 55.533 -35.629 456 3HB ALA 57 3HB ALA 57 43.060 55.772 -35.184 457 H GLU 58 H GLU 58 41.631 58.941 -32.429 458 HA GLU 58 HA GLU 58 43.296 60.839 -33.982 459 1HB GLU 58 1HB GLU 58 42.703 62.425 -32.165 460 2HB GLU 58 2HB GLU 58 41.269 61.686 -32.876 461 1HG GLU 58 1HG GLU 58 40.697 60.708 -30.924 462 2HG GLU 58 2HG GLU 58 42.331 60.088 -30.682 No H/Q in entry = 462 Start of MODEL 19 1 H1 LEU 1 H1 LEU 1 45.167 53.699 -32.035 2 H2 LEU 1 H2 LEU 1 44.548 52.541 -30.957 3 H3 LEU 1 H3 LEU 1 45.233 52.049 -32.428 4 HA LEU 1 HA LEU 1 42.932 51.902 -32.767 5 1HB LEU 1 1HB LEU 1 42.956 54.165 -30.928 6 2HB LEU 1 2HB LEU 1 41.902 54.458 -32.311 7 HG LEU 1 HG LEU 1 40.802 52.269 -31.916 8 1HD1 LEU 1 1HD1 LEU 1 42.805 51.231 -30.800 9 2HD1 LEU 1 2HD1 LEU 1 42.454 52.209 -29.374 10 3HD1 LEU 1 3HD1 LEU 1 41.298 50.991 -29.916 11 1HD2 LEU 1 1HD2 LEU 1 40.772 54.567 -30.096 12 2HD2 LEU 1 2HD2 LEU 1 39.422 53.679 -30.802 13 3HD2 LEU 1 3HD2 LEU 1 40.196 53.086 -29.332 14 H LYS 2 H LYS 2 41.948 52.613 -34.742 15 HA LYS 2 HA LYS 2 43.452 54.743 -36.183 16 1HB LYS 2 2HB LYS 2 44.114 53.277 -37.762 17 2HB LYS 2 1HB LYS 2 42.440 52.812 -38.053 18 1HG LYS 2 1HG LYS 2 43.974 51.699 -35.704 19 2HG LYS 2 2HG LYS 2 42.537 51.043 -36.489 20 1HD LYS 2 1HD LYS 2 43.759 50.310 -38.376 21 2HD LYS 2 2HD LYS 2 45.144 51.328 -37.981 22 1HE LYS 2 2HE LYS 2 44.906 49.778 -35.718 23 2HE LYS 2 1HE LYS 2 46.016 49.452 -37.049 24 1HZ LYS 2 1HZ LYS 2 43.751 48.391 -37.983 25 2HZ LYS 2 2HZ LYS 2 44.921 47.511 -37.128 26 3HZ LYS 2 3HZ LYS 2 43.554 48.112 -36.319 27 H LYS 3 H LYS 3 42.028 55.068 -38.415 28 HA LYS 3 HA LYS 3 40.009 55.811 -39.331 29 1HB LYS 3 1HB LYS 3 39.277 53.667 -37.582 30 2HB LYS 3 2HB LYS 3 38.089 54.959 -37.412 31 1HG LYS 3 1HG LYS 3 37.459 54.864 -39.646 32 2HG LYS 3 2HG LYS 3 39.003 54.184 -40.158 33 1HD LYS 3 1HD LYS 3 38.405 52.032 -39.602 34 2HD LYS 3 2HD LYS 3 37.347 52.553 -38.290 35 1HE LYS 3 1HE LYS 3 35.571 53.033 -39.735 36 2HE LYS 3 2HE LYS 3 36.629 53.202 -41.136 37 1HZ LYS 3 1HZ LYS 3 37.004 50.633 -40.223 38 2HZ LYS 3 2HZ LYS 3 35.325 50.885 -40.148 39 3HZ LYS 3 3HZ LYS 3 36.150 51.107 -41.613 40 H VAL 4 H VAL 4 41.299 57.739 -38.073 41 HA VAL 4 HA VAL 4 39.876 58.894 -35.802 42 HB VAL 4 HB VAL 4 41.400 60.683 -35.963 43 1HG1 VAL 4 1HG1 VAL 4 42.459 58.090 -36.727 44 2HG1 VAL 4 2HG1 VAL 4 43.443 59.396 -37.375 45 3HG1 VAL 4 3HG1 VAL 4 43.140 59.295 -35.642 46 1HG2 VAL 4 1HG2 VAL 4 41.617 60.100 -38.935 47 2HG2 VAL 4 2HG2 VAL 4 40.745 61.448 -38.206 48 3HG2 VAL 4 3HG2 VAL 4 42.503 61.367 -38.087 49 H VAL 5 H VAL 5 38.063 60.275 -35.922 50 HA VAL 5 HA VAL 5 36.908 60.616 -38.595 51 HB VAL 5 HB VAL 5 35.882 60.253 -35.970 52 1HG1 VAL 5 1HG1 VAL 5 35.711 62.757 -35.926 53 2HG1 VAL 5 2HG1 VAL 5 34.746 62.680 -37.396 54 3HG1 VAL 5 3HG1 VAL 5 34.140 61.965 -35.903 55 1HG2 VAL 5 1HG2 VAL 5 34.988 60.258 -38.802 56 2HG2 VAL 5 2HG2 VAL 5 34.937 58.963 -37.604 57 3HG2 VAL 5 3HG2 VAL 5 33.742 60.261 -37.551 58 H ALA 6 H ALA 6 37.253 62.435 -39.751 59 HA ALA 6 HA ALA 6 38.719 64.661 -38.919 60 1HB ALA 6 3HB ALA 6 38.372 64.977 -41.137 61 2HB ALA 6 2HB ALA 6 36.849 65.740 -40.680 62 3HB ALA 6 1HB ALA 6 36.884 64.031 -41.112 63 H LEU 7 H LEU 7 37.656 67.002 -38.733 64 HA LEU 7 HA LEU 7 35.141 66.910 -37.166 65 1HB LEU 7 1HB LEU 7 37.586 66.820 -35.886 66 2HB LEU 7 2HB LEU 7 37.199 68.537 -35.864 67 HG LEU 7 HG LEU 7 36.340 67.260 -33.893 68 1HD1 LEU 7 1HD1 LEU 7 35.056 69.198 -35.503 69 2HD1 LEU 7 2HD1 LEU 7 33.800 68.069 -34.993 70 3HD1 LEU 7 3HD1 LEU 7 34.791 68.891 -33.787 71 1HD2 LEU 7 1HD2 LEU 7 35.740 65.264 -35.492 72 2HD2 LEU 7 2HD2 LEU 7 34.709 65.598 -34.102 73 3HD2 LEU 7 3HD2 LEU 7 34.225 66.141 -35.709 74 H TYR 8 H TYR 8 37.771 68.999 -38.395 75 HA TYR 8 HA TYR 8 35.649 70.989 -39.063 76 1HB TYR 8 2HB TYR 8 37.110 72.804 -38.317 77 2HB TYR 8 1HB TYR 8 38.359 71.639 -37.871 78 HD1 TYR 8 HD1 TYR 8 34.643 71.908 -37.359 79 HD2 TYR 8 HD2 TYR 8 38.498 71.287 -35.568 80 HE1 TYR 8 HE1 TYR 8 33.566 71.613 -35.147 81 HE2 TYR 8 HE2 TYR 8 37.420 70.993 -33.355 82 HH TYR 8 HH TYR 8 33.912 71.410 -32.949 83 H ASP 9 H ASP 9 37.072 69.012 -40.737 84 HA ASP 9 HA ASP 9 38.100 68.943 -42.844 85 1HB ASP 9 1HB ASP 9 36.287 70.751 -43.152 86 2HB ASP 9 2HB ASP 9 37.605 71.915 -43.000 87 H TYR 10 H TYR 10 40.108 69.470 -43.912 88 HA TYR 10 HA TYR 10 41.888 71.476 -42.750 89 1HB TYR 10 1HB TYR 10 41.943 69.315 -41.265 90 2HB TYR 10 2HB TYR 10 42.884 68.642 -42.597 91 HD1 TYR 10 HD1 TYR 10 42.701 71.714 -40.450 92 HD2 TYR 10 HD2 TYR 10 45.191 68.986 -42.642 93 HE1 TYR 10 HE1 TYR 10 44.720 72.897 -39.629 94 HE2 TYR 10 HE2 TYR 10 47.210 70.168 -41.822 95 HH TYR 10 HH TYR 10 47.823 72.371 -40.954 96 H MET 11 H MET 11 42.188 72.254 -44.864 97 HA MET 11 HA MET 11 42.836 70.437 -47.036 98 1HB MET 11 1HB MET 11 42.157 73.245 -46.740 99 2HB MET 11 2HB MET 11 43.525 73.031 -47.833 100 1HG MET 11 1HG MET 11 42.282 71.881 -49.386 101 2HG MET 11 2HG MET 11 41.240 71.151 -48.165 102 1HE MET 11 1HE MET 11 41.700 73.585 -50.835 103 2HE MET 11 2HE MET 11 40.757 75.034 -50.457 104 3HE MET 11 3HE MET 11 42.261 74.708 -49.598 105 1HB PRO 12 1HB PRO 12 47.949 69.117 -48.434 106 2HB PRO 12 2HB PRO 12 47.224 68.325 -47.025 107 1HG PRO 12 2HG PRO 12 45.584 67.659 -48.507 108 2HG PRO 12 1HG PRO 12 45.999 68.923 -49.675 109 1HD PRO 12 1HD PRO 12 44.181 70.093 -48.901 110 2HD PRO 12 2HD PRO 12 43.963 68.963 -47.548 111 H MET 13 H MET 13 48.438 72.269 -46.482 112 HA MET 13 HA MET 13 48.091 74.135 -48.595 113 1HB MET 13 1HB MET 13 49.653 73.972 -46.279 114 2HB MET 13 2HB MET 13 50.825 74.081 -47.593 115 1HG MET 13 1HG MET 13 49.854 76.113 -48.411 116 2HG MET 13 2HG MET 13 48.446 75.936 -47.364 117 1HE MET 13 1HE MET 13 52.139 75.312 -47.000 118 2HE MET 13 2HE MET 13 52.285 76.981 -47.545 119 3HE MET 13 3HE MET 13 52.750 76.555 -45.900 120 H ASN 14 H ASN 14 49.679 71.088 -48.540 121 HA ASN 14 HA ASN 14 50.871 71.690 -51.217 122 1HB ASN 14 1HB ASN 14 51.971 70.123 -48.892 123 2HB ASN 14 2HB ASN 14 52.486 69.754 -50.538 124 2HD2 ASN 14 1HD2 ASN 14 54.572 70.677 -50.612 125 1HD2 ASN 14 2HD2 ASN 14 54.900 72.305 -50.263 126 H ALA 15 H ALA 15 50.436 68.670 -49.363 127 HA ALA 15 HA ALA 15 48.161 67.719 -50.784 128 1HB ALA 15 3HB ALA 15 49.516 67.741 -52.783 129 2HB ALA 15 2HB ALA 15 49.346 66.059 -52.279 130 3HB ALA 15 1HB ALA 15 50.844 66.930 -51.952 131 H ASN 16 H ASN 16 51.202 66.943 -49.167 132 HA ASN 16 HA ASN 16 50.868 64.275 -48.480 133 1HB ASN 16 2HB ASN 16 52.188 64.705 -46.513 134 2HB ASN 16 1HB ASN 16 51.699 66.400 -46.488 135 2HD2 ASN 16 1HD2 ASN 16 53.448 67.656 -47.161 136 1HD2 ASN 16 2HD2 ASN 16 54.487 67.271 -48.446 137 H ASP 17 H ASP 17 49.884 66.824 -46.170 138 HA ASP 17 HA ASP 17 48.202 65.236 -44.595 139 1HB ASP 17 1HB ASP 17 48.170 68.165 -45.290 140 2HB ASP 17 2HB ASP 17 46.900 67.481 -44.275 141 H LEU 18 H LEU 18 46.141 64.401 -44.844 142 HA LEU 18 HA LEU 18 44.956 64.528 -47.524 143 1HB LEU 18 1HB LEU 18 44.550 63.000 -45.018 144 2HB LEU 18 2HB LEU 18 43.096 63.275 -45.961 145 HG LEU 18 HG LEU 18 43.682 61.689 -47.454 146 1HD1 LEU 18 1HD1 LEU 18 46.269 63.205 -47.563 147 2HD1 LEU 18 2HD1 LEU 18 46.201 61.591 -48.263 148 3HD1 LEU 18 3HD1 LEU 18 45.125 62.853 -48.856 149 1HD2 LEU 18 1HD2 LEU 18 44.383 60.599 -45.367 150 2HD2 LEU 18 2HD2 LEU 18 45.397 60.079 -46.710 151 3HD2 LEU 18 3HD2 LEU 18 46.003 61.264 -45.558 152 H GLN 19 H GLN 19 43.272 65.814 -48.148 153 HA GLN 19 HA GLN 19 42.462 68.023 -46.503 154 1HB GLN 19 1HB GLN 19 42.314 68.284 -48.884 155 2HB GLN 19 2HB GLN 19 41.312 66.841 -49.042 156 1HG GLN 19 1HG GLN 19 39.522 67.947 -47.740 157 2HG GLN 19 2HG GLN 19 40.518 69.398 -47.619 158 2HE2 GLN 19 1HE2 GLN 19 41.593 69.156 -50.378 159 1HE2 GLN 19 2HE2 GLN 19 40.316 69.564 -51.420 160 H LEU 20 H LEU 20 41.580 67.288 -44.546 161 HA LEU 20 HA LEU 20 39.914 65.160 -44.018 162 1HB LEU 20 1HB LEU 20 39.681 67.969 -42.917 163 2HB LEU 20 2HB LEU 20 38.854 66.573 -42.239 164 HG LEU 20 HG LEU 20 41.646 67.409 -41.947 165 1HD1 LEU 20 1HD1 LEU 20 39.499 66.308 -40.444 166 2HD1 LEU 20 2HD1 LEU 20 40.860 65.193 -40.314 167 3HD1 LEU 20 3HD1 LEU 20 41.058 66.883 -39.850 168 1HD2 LEU 20 1HD2 LEU 20 41.046 64.521 -42.676 169 2HD2 LEU 20 2HD2 LEU 20 42.120 65.618 -43.539 170 3HD2 LEU 20 3HD2 LEU 20 42.544 65.062 -41.920 171 H ARG 21 H ARG 21 37.495 65.171 -43.646 172 HA ARG 21 HA ARG 21 36.027 66.876 -45.580 173 1HB ARG 21 1HB ARG 21 36.599 64.691 -46.686 174 2HB ARG 21 2HB ARG 21 35.682 63.868 -45.424 175 1HG ARG 21 1HG ARG 21 33.907 65.802 -46.252 176 2HG ARG 21 2HG ARG 21 34.717 65.374 -47.759 177 1HD ARG 21 1HD ARG 21 34.123 63.076 -47.546 178 2HD ARG 21 2HD ARG 21 33.642 63.282 -45.862 179 HE ARG 21 HE ARG 21 31.515 63.640 -46.822 180 1HH1 ARG 21 1HH1 ARG 21 32.317 66.530 -47.113 181 2HH1 ARG 21 2HH1 ARG 21 31.967 66.828 -48.783 182 1HH2 ARG 21 1HH2 ARG 21 31.780 63.467 -49.618 183 2HH2 ARG 21 2HH2 ARG 21 31.663 65.094 -50.201 184 H LYS 22 H LYS 22 36.255 66.793 -42.682 185 HA LYS 22 HA LYS 22 34.947 66.488 -40.726 186 1HB LYS 22 1HB LYS 22 34.099 68.506 -42.545 187 2HB LYS 22 2HB LYS 22 32.656 67.832 -41.785 188 1HG LYS 22 1HG LYS 22 34.994 68.361 -40.021 189 2HG LYS 22 2HG LYS 22 34.101 69.763 -40.618 190 1HD LYS 22 1HD LYS 22 32.133 67.905 -39.867 191 2HD LYS 22 2HD LYS 22 33.337 67.849 -38.579 192 1HE LYS 22 1HE LYS 22 32.699 69.866 -37.801 193 2HE LYS 22 2HE LYS 22 32.848 70.586 -39.404 194 1HZ LYS 22 1HZ LYS 22 30.589 68.887 -39.290 195 2HZ LYS 22 2HZ LYS 22 30.517 70.025 -38.034 196 3HZ LYS 22 3HZ LYS 22 30.662 70.547 -39.645 197 H GLY 23 H GLY 23 34.245 64.392 -40.331 198 1HA GLY 23 1HA GLY 23 31.985 63.318 -39.929 199 2HA GLY 23 2HA GLY 23 31.665 63.615 -41.638 200 H ASP 24 H ASP 24 33.455 62.645 -43.124 201 HA ASP 24 HA ASP 24 33.454 59.827 -42.818 202 1HB ASP 24 1HB ASP 24 34.970 61.763 -44.519 203 2HB ASP 24 2HB ASP 24 35.535 60.095 -44.449 204 H GLU 25 H GLU 25 34.923 58.406 -41.883 205 HA GLU 25 HA GLU 25 36.872 59.629 -40.034 206 1HB GLU 25 2HB GLU 25 36.844 57.619 -38.869 207 2HB GLU 25 1HB GLU 25 36.556 56.661 -40.322 208 1HG GLU 25 2HG GLU 25 34.401 58.569 -39.704 209 2HG GLU 25 1HG GLU 25 34.631 57.331 -38.469 210 H TYR 26 H TYR 26 39.111 58.610 -39.950 211 HA TYR 26 HA TYR 26 40.014 57.909 -42.712 212 1HB TYR 26 2HB TYR 26 41.954 59.287 -42.423 213 2HB TYR 26 1HB TYR 26 41.615 59.514 -40.706 214 HD1 TYR 26 HD1 TYR 26 39.183 59.554 -43.503 215 HD2 TYR 26 HD2 TYR 26 41.286 61.900 -40.591 216 HE1 TYR 26 HE1 TYR 26 37.758 61.496 -44.054 217 HE2 TYR 26 HE2 TYR 26 39.855 63.850 -41.142 218 HH TYR 26 HH TYR 26 36.998 63.578 -42.915 219 H PHE 27 H PHE 27 40.658 55.828 -42.665 220 HA PHE 27 HA PHE 27 41.413 54.367 -40.326 221 1HB PHE 27 1HB PHE 27 40.668 53.481 -42.657 222 2HB PHE 27 2HB PHE 27 42.360 53.677 -43.111 223 HD1 PHE 27 HD1 PHE 27 44.132 52.594 -41.546 224 HD2 PHE 27 HD2 PHE 27 39.969 51.542 -41.537 225 HE1 PHE 27 HE1 PHE 27 44.679 50.443 -40.441 226 HE2 PHE 27 HE2 PHE 27 40.514 49.390 -40.432 227 HZ PHE 27 HZ PHE 27 42.870 48.840 -39.885 228 H ILE 28 H ILE 28 43.381 54.270 -39.294 229 HA ILE 28 HA ILE 28 45.494 55.995 -40.398 230 HB ILE 28 HB ILE 28 45.509 54.538 -37.756 231 1HG1 ILE 28 1HG1 ILE 28 43.511 55.785 -37.635 232 2HG1 ILE 28 2HG1 ILE 28 44.703 56.883 -36.954 233 1HG2 ILE 28 1HG2 ILE 28 47.470 55.955 -39.053 234 2HG2 ILE 28 2HG2 ILE 28 46.703 57.217 -38.089 235 3HG2 ILE 28 3HG2 ILE 28 47.359 55.783 -37.303 236 1HD1 ILE 28 1HD1 ILE 28 43.802 56.912 -39.853 237 2HD1 ILE 28 2HD1 ILE 28 43.175 57.986 -38.607 238 3HD1 ILE 28 3HD1 ILE 28 44.872 58.077 -39.077 239 H LEU 29 H LEU 29 46.630 54.989 -41.924 240 HA LEU 29 HA LEU 29 47.298 52.184 -41.865 241 1HB LEU 29 1HB LEU 29 48.216 54.550 -43.514 242 2HB LEU 29 2HB LEU 29 48.757 52.900 -43.816 243 HG LEU 29 HG LEU 29 46.919 53.214 -45.267 244 1HD1 LEU 29 1HD1 LEU 29 46.860 51.238 -43.454 245 2HD1 LEU 29 2HD1 LEU 29 45.348 52.042 -43.031 246 3HD1 LEU 29 3HD1 LEU 29 45.596 51.435 -44.668 247 1HD2 LEU 29 1HD2 LEU 29 46.133 55.305 -44.100 248 2HD2 LEU 29 2HD2 LEU 29 44.840 54.252 -44.665 249 3HD2 LEU 29 3HD2 LEU 29 45.279 54.267 -42.959 250 H GLU 30 H GLU 30 48.427 54.613 -39.932 251 HA GLU 30 HA GLU 30 50.956 53.152 -39.473 252 1HB GLU 30 1HB GLU 30 51.435 54.976 -41.162 253 2HB GLU 30 2HB GLU 30 50.977 56.147 -39.925 254 1HG GLU 30 1HG GLU 30 52.701 54.958 -38.418 255 2HG GLU 30 2HG GLU 30 53.299 54.221 -39.904 256 H GLU 31 H GLU 31 49.715 56.363 -38.510 257 HA GLU 31 HA GLU 31 48.944 57.090 -36.401 258 1HB GLU 31 1HB GLU 31 48.257 54.477 -36.307 259 2HB GLU 31 2HB GLU 31 49.496 54.500 -35.052 260 1HG GLU 31 1HG GLU 31 48.204 56.685 -34.281 261 2HG GLU 31 2HG GLU 31 46.865 55.926 -35.144 262 H SER 32 H SER 32 49.942 57.440 -34.180 263 HA SER 32 HA SER 32 52.522 56.558 -33.447 264 1HB SER 32 1HB SER 32 52.569 58.366 -35.667 265 2HB SER 32 2HB SER 32 53.249 59.193 -34.267 266 HG SER 32 HG SER 32 54.555 57.622 -35.735 267 H ASN 33 H ASN 33 53.633 58.736 -32.213 268 HA ASN 33 HA ASN 33 51.533 59.430 -30.248 269 1HB ASN 33 2HB ASN 33 53.792 58.624 -29.512 270 2HB ASN 33 1HB ASN 33 53.372 60.206 -28.853 271 2HD2 ASN 33 1HD2 ASN 33 55.958 58.623 -30.117 272 1HD2 ASN 33 2HD2 ASN 33 56.760 59.911 -30.880 273 H LEU 34 H LEU 34 51.747 60.639 -33.016 274 HA LEU 34 HA LEU 34 52.070 63.505 -32.220 275 1HB LEU 34 1HB LEU 34 52.256 62.165 -34.939 276 2HB LEU 34 2HB LEU 34 52.376 63.902 -34.675 277 HG LEU 34 HG LEU 34 54.167 62.732 -32.841 278 1HD1 LEU 34 1HD1 LEU 34 53.785 61.023 -35.114 279 2HD1 LEU 34 2HD1 LEU 34 55.389 61.750 -35.220 280 3HD1 LEU 34 3HD1 LEU 34 54.928 60.835 -33.784 281 1HD2 LEU 34 1HD2 LEU 34 54.287 64.899 -34.190 282 2HD2 LEU 34 2HD2 LEU 34 55.799 64.003 -34.051 283 3HD2 LEU 34 3HD2 LEU 34 54.858 63.919 -35.540 284 1HB PRO 35 1HB PRO 35 47.828 66.648 -34.156 285 2HB PRO 35 2HB PRO 35 48.056 66.337 -32.426 286 1HG PRO 35 2HG PRO 35 50.092 67.387 -32.747 287 2HG PRO 35 1HG PRO 35 50.089 67.067 -34.489 288 1HD PRO 35 1HD PRO 35 51.569 65.370 -34.029 289 2HD PRO 35 2HD PRO 35 51.232 65.445 -32.288 290 H TRP 36 H TRP 36 50.072 64.456 -35.674 291 HA TRP 36 HA TRP 36 47.865 63.956 -37.628 292 1HB TRP 36 1HB TRP 36 49.444 64.740 -39.355 293 2HB TRP 36 2HB TRP 36 49.235 65.966 -38.108 294 HD1 TRP 36 HD1 TRP 36 51.662 63.068 -38.941 295 HE1 TRP 36 HE1 TRP 36 54.020 63.746 -38.154 296 HE3 TRP 36 HE3 TRP 36 50.610 67.578 -36.787 297 HZ2 TRP 36 HZ2 TRP 36 55.293 65.914 -36.793 298 HZ3 TRP 36 HZ3 TRP 36 52.414 68.928 -35.754 299 HH2 TRP 36 HH2 TRP 36 54.752 68.102 -35.754 300 H TRP 37 H TRP 37 47.954 62.033 -38.843 301 HA TRP 37 HA TRP 37 50.333 60.293 -38.297 302 1HB TRP 37 1HB TRP 37 47.392 59.587 -38.268 303 2HB TRP 37 2HB TRP 37 48.650 58.363 -38.418 304 HD1 TRP 37 HD1 TRP 37 50.603 60.273 -36.442 305 HE1 TRP 37 HE1 TRP 37 50.237 59.989 -33.907 306 HE3 TRP 37 HE3 TRP 37 45.961 58.153 -36.455 307 HZ2 TRP 37 HZ2 TRP 37 48.241 58.988 -32.120 308 HZ3 TRP 37 HZ3 TRP 37 44.854 57.539 -34.325 309 HH2 TRP 37 HH2 TRP 37 45.987 57.952 -32.161 310 H ARG 38 H ARG 38 49.541 58.176 -39.983 311 HA ARG 38 HA ARG 38 49.545 59.516 -42.657 312 1HB ARG 38 1HB ARG 38 51.554 57.946 -41.597 313 2HB ARG 38 2HB ARG 38 50.610 56.768 -42.510 314 1HG ARG 38 1HG ARG 38 50.767 58.156 -44.521 315 2HG ARG 38 2HG ARG 38 51.645 59.394 -43.619 316 1HD ARG 38 1HD ARG 38 53.179 57.939 -44.922 317 2HD ARG 38 2HD ARG 38 53.473 57.820 -43.187 318 HE ARG 38 HE ARG 38 52.682 55.581 -43.247 319 1HH1 ARG 38 1HH1 ARG 38 50.509 54.720 -44.275 320 2HH1 ARG 38 2HH1 ARG 38 50.676 54.446 -45.977 321 1HH2 ARG 38 1HH2 ARG 38 53.567 56.338 -46.268 322 2HH2 ARG 38 2HH2 ARG 38 52.408 55.361 -47.105 323 H ALA 39 H ALA 39 47.206 59.358 -42.567 324 HA ALA 39 HA ALA 39 46.184 56.557 -42.794 325 1HB ALA 39 3HB ALA 39 45.183 57.703 -40.925 326 2HB ALA 39 2HB ALA 39 43.967 57.679 -42.202 327 3HB ALA 39 1HB ALA 39 44.889 59.146 -41.888 328 H ARG 40 H ARG 40 44.075 56.537 -44.130 329 HA ARG 40 HA ARG 40 44.438 58.193 -46.596 330 1HB ARG 40 1HB ARG 40 44.882 55.897 -47.182 331 2HB ARG 40 2HB ARG 40 43.495 55.329 -46.250 332 1HG ARG 40 1HG ARG 40 42.683 57.320 -48.200 333 2HG ARG 40 2HG ARG 40 43.522 55.980 -48.981 334 1HD ARG 40 1HD ARG 40 41.183 55.724 -47.067 335 2HD ARG 40 2HD ARG 40 41.110 55.510 -48.817 336 HE ARG 40 HE ARG 40 41.876 53.483 -46.988 337 1HH1 ARG 40 1HH1 ARG 40 41.524 53.721 -50.162 338 2HH1 ARG 40 2HH1 ARG 40 42.967 52.892 -50.640 339 1HH2 ARG 40 1HH2 ARG 40 44.373 52.961 -47.471 340 2HH2 ARG 40 2HH2 ARG 40 44.580 52.462 -49.116 341 H ASP 41 H ASP 41 42.931 59.804 -46.184 342 HA ASP 41 HA ASP 41 40.585 59.541 -44.669 343 1HB ASP 41 1HB ASP 41 39.748 61.537 -45.914 344 2HB ASP 41 2HB ASP 41 41.395 61.727 -45.314 345 H LYS 42 H LYS 42 38.294 59.913 -45.770 346 HA LYS 42 HA LYS 42 37.699 57.468 -47.190 347 1HB LYS 42 1HB LYS 42 36.165 58.797 -45.605 348 2HB LYS 42 2HB LYS 42 35.844 59.840 -46.990 349 1HG LYS 42 1HG LYS 42 35.652 57.088 -47.809 350 2HG LYS 42 2HG LYS 42 34.633 57.348 -46.392 351 1HD LYS 42 1HD LYS 42 34.069 59.592 -47.831 352 2HD LYS 42 2HD LYS 42 34.367 58.436 -49.130 353 1HE LYS 42 1HE LYS 42 32.782 56.851 -47.986 354 2HE LYS 42 2HE LYS 42 32.389 58.145 -46.854 355 1HZ LYS 42 1HZ LYS 42 31.696 59.516 -48.720 356 2HZ LYS 42 2HZ LYS 42 32.062 58.260 -49.804 357 3HZ LYS 42 3HZ LYS 42 30.809 58.071 -48.672 358 H ASN 43 H ASN 43 39.021 60.332 -48.279 359 HA ASN 43 HA ASN 43 37.617 60.452 -50.846 360 1HB ASN 43 2HB ASN 43 39.255 62.179 -51.415 361 2HB ASN 43 1HB ASN 43 40.219 61.761 -49.999 362 2HD2 ASN 43 1HD2 ASN 43 39.922 63.869 -48.992 363 1HD2 ASN 43 2HD2 ASN 43 38.420 64.355 -48.368 364 H GLY 44 H GLY 44 39.558 58.166 -49.648 365 1HA GLY 44 1HA GLY 44 40.823 56.475 -50.668 366 2HA GLY 44 2HA GLY 44 40.292 57.119 -52.222 367 H GLN 45 H GLN 45 42.159 58.731 -49.638 368 HA GLN 45 HA GLN 45 44.497 58.804 -51.464 369 1HB GLN 45 1HB GLN 45 42.892 60.913 -51.532 370 2HB GLN 45 2HB GLN 45 43.713 61.315 -50.024 371 1HG GLN 45 1HG GLN 45 45.850 61.363 -51.082 372 2HG GLN 45 2HG GLN 45 45.226 60.585 -52.537 373 2HE2 GLN 45 1HE2 GLN 45 43.415 61.920 -53.690 374 1HE2 GLN 45 2HE2 GLN 45 43.620 63.604 -53.724 375 H GLU 46 H GLU 46 46.311 58.352 -50.330 376 HA GLU 46 HA GLU 46 46.156 58.201 -47.388 377 1HB GLU 46 2HB GLU 46 48.133 56.915 -47.506 378 2HB GLU 46 1HB GLU 46 48.607 57.623 -49.051 379 1HG GLU 46 1HG GLU 46 46.140 55.900 -48.681 380 2HG GLU 46 2HG GLU 46 46.842 56.443 -50.205 381 H GLY 47 H GLY 47 47.119 59.713 -46.047 382 1HA GLY 47 1HA GLY 47 49.263 61.435 -46.941 383 2HA GLY 47 2HA GLY 47 47.718 62.279 -46.934 384 H TYR 48 H TYR 48 48.819 63.617 -45.265 385 HA TYR 48 HA TYR 48 49.134 62.323 -42.627 386 1HB TYR 48 1HB TYR 48 49.882 64.956 -43.821 387 2HB TYR 48 2HB TYR 48 49.603 64.901 -42.080 388 HD1 TYR 48 HD1 TYR 48 50.957 63.414 -40.633 389 HD2 TYR 48 HD2 TYR 48 51.773 63.839 -44.827 390 HE1 TYR 48 HE1 TYR 48 53.190 62.384 -40.302 391 HE2 TYR 48 HE2 TYR 48 54.006 62.811 -44.498 392 HH TYR 48 HH TYR 48 55.065 61.714 -41.271 393 H ILE 49 H ILE 49 47.584 62.451 -41.059 394 HA ILE 49 HA ILE 49 45.319 64.341 -41.506 395 HB ILE 49 HB ILE 49 45.279 61.464 -40.688 396 1HG1 ILE 49 2HG1 ILE 49 44.151 63.033 -42.995 397 2HG1 ILE 49 1HG1 ILE 49 43.605 61.400 -42.607 398 1HG2 ILE 49 1HG2 ILE 49 43.723 63.098 -39.357 399 2HG2 ILE 49 2HG2 ILE 49 42.805 63.153 -40.861 400 3HG2 ILE 49 3HG2 ILE 49 43.040 61.618 -40.026 401 1HD1 ILE 49 1HD1 ILE 49 46.418 61.292 -42.530 402 2HD1 ILE 49 2HD1 ILE 49 45.368 60.618 -43.775 403 3HD1 ILE 49 3HD1 ILE 49 46.027 62.242 -43.963 404 1HB PRO 50 1HB PRO 50 45.229 67.697 -37.204 405 2HB PRO 50 2HB PRO 50 46.804 67.560 -38.003 406 1HG PRO 50 2HG PRO 50 45.661 68.261 -39.886 407 2HG PRO 50 1HG PRO 50 44.091 67.774 -39.224 408 1HD PRO 50 1HD PRO 50 44.234 65.915 -40.568 409 2HD PRO 50 2HD PRO 50 45.936 66.249 -40.952 410 H SER 51 H SER 51 45.656 64.984 -35.336 411 HA SER 51 HA SER 51 42.893 63.996 -35.437 412 1HB SER 51 1HB SER 51 45.019 64.060 -33.300 413 2HB SER 51 2HB SER 51 43.367 63.561 -32.950 414 HG SER 51 HG SER 51 45.319 62.360 -34.570 415 H ASN 52 H ASN 52 44.670 66.698 -33.987 416 HA ASN 52 HA ASN 52 42.853 67.778 -32.221 417 1HB ASN 52 2HB ASN 52 45.037 68.813 -32.837 418 2HB ASN 52 1HB ASN 52 43.720 69.985 -32.791 419 2HD2 ASN 52 1HD2 ASN 52 45.179 71.259 -34.324 420 1HD2 ASN 52 2HD2 ASN 52 45.130 70.882 -35.979 421 H TYR 53 H TYR 53 42.529 67.658 -35.724 422 HA TYR 53 HA TYR 53 39.938 69.135 -35.490 423 1HB TYR 53 1HB TYR 53 41.928 68.783 -37.710 424 2HB TYR 53 2HB TYR 53 40.237 69.074 -38.115 425 HD1 TYR 53 HD1 TYR 53 42.211 70.358 -35.213 426 HD2 TYR 53 HD2 TYR 53 40.196 71.303 -38.886 427 HE1 TYR 53 HE1 TYR 53 42.519 72.776 -34.760 428 HE2 TYR 53 HE2 TYR 53 40.504 73.721 -38.434 429 HH TYR 53 HH TYR 53 42.138 75.143 -37.076 430 H VAL 54 H VAL 54 40.312 66.331 -34.749 431 HA VAL 54 HA VAL 54 38.136 65.143 -36.346 432 HB VAL 54 HB VAL 54 39.335 63.513 -37.468 433 1HG1 VAL 54 1HG1 VAL 54 41.416 65.634 -37.001 434 2HG1 VAL 54 2HG1 VAL 54 41.564 64.352 -38.202 435 3HG1 VAL 54 3HG1 VAL 54 40.265 65.537 -38.333 436 1HG2 VAL 54 1HG2 VAL 54 41.019 63.523 -35.014 437 2HG2 VAL 54 2HG2 VAL 54 40.317 62.163 -35.888 438 3HG2 VAL 54 3HG2 VAL 54 41.771 62.945 -36.500 439 H THR 55 H THR 55 38.580 62.496 -35.458 440 HA THR 55 HA THR 55 39.021 62.592 -32.578 441 HB THR 55 HB THR 55 36.734 63.518 -32.975 442 HG1 THR 55 HG1 THR 55 37.329 62.451 -31.026 443 1HG2 THR 55 1HG2 THR 55 36.506 61.419 -34.753 444 2HG2 THR 55 2HG2 THR 55 35.520 60.892 -33.389 445 3HG2 THR 55 3HG2 THR 55 35.180 62.429 -34.181 446 H GLU 56 H GLU 56 36.999 60.125 -32.661 447 HA GLU 56 HA GLU 56 37.524 57.831 -32.588 448 1HB GLU 56 1HB GLU 56 38.179 58.575 -35.431 449 2HB GLU 56 2HB GLU 56 38.045 56.919 -34.859 450 1HG GLU 56 1HG GLU 56 35.843 58.978 -34.578 451 2HG GLU 56 2HG GLU 56 35.934 57.814 -35.900 452 H ALA 57 H ALA 57 39.928 57.323 -34.798 453 HA ALA 57 HA ALA 57 41.886 56.762 -32.805 454 1HB ALA 57 1HB ALA 57 41.681 56.602 -35.678 455 2HB ALA 57 2HB ALA 57 43.241 57.295 -35.234 456 3HB ALA 57 3HB ALA 57 42.763 55.720 -34.601 457 H GLU 58 H GLU 58 43.794 57.993 -32.229 458 HA GLU 58 HA GLU 58 44.569 60.487 -33.293 459 1HB GLU 58 1HB GLU 58 43.543 61.985 -31.482 460 2HB GLU 58 2HB GLU 58 42.451 61.440 -32.754 461 1HG GLU 58 1HG GLU 58 41.184 60.263 -31.300 462 2HG GLU 58 2HG GLU 58 42.602 59.537 -30.542 No H/Q in entry = 462 Start of MODEL 20 1 H1 LEU 1 H1 LEU 1 43.088 49.471 -35.397 2 H2 LEU 1 H2 LEU 1 42.549 48.340 -34.253 3 H3 LEU 1 H3 LEU 1 42.487 47.966 -35.909 4 HA LEU 1 HA LEU 1 40.640 49.197 -36.292 5 1HB LEU 1 1HB LEU 1 40.489 47.571 -34.127 6 2HB LEU 1 2HB LEU 1 40.026 49.105 -33.389 7 HG LEU 1 HG LEU 1 38.722 48.843 -35.941 8 1HD1 LEU 1 1HD1 LEU 1 39.131 46.364 -35.273 9 2HD1 LEU 1 2HD1 LEU 1 37.940 46.662 -34.007 10 3HD1 LEU 1 3HD1 LEU 1 37.489 46.842 -35.702 11 1HD2 LEU 1 1HD2 LEU 1 38.207 50.033 -33.585 12 2HD2 LEU 1 2HD2 LEU 1 36.927 49.633 -34.730 13 3HD2 LEU 1 3HD2 LEU 1 37.250 48.569 -33.361 14 H LYS 2 H LYS 2 41.230 51.333 -36.806 15 HA LYS 2 HA LYS 2 40.746 53.289 -34.627 16 1HB LYS 2 1HB LYS 2 43.275 52.974 -36.203 17 2HB LYS 2 2HB LYS 2 42.750 54.600 -35.766 18 1HG LYS 2 1HG LYS 2 43.472 54.304 -33.656 19 2HG LYS 2 2HG LYS 2 42.461 52.868 -33.486 20 1HD LYS 2 1HD LYS 2 44.181 51.432 -33.963 21 2HD LYS 2 2HD LYS 2 44.931 52.547 -35.105 22 1HE LYS 2 1HE LYS 2 45.377 53.976 -32.920 23 2HE LYS 2 2HE LYS 2 45.215 52.411 -32.125 24 1HZ LYS 2 1HZ LYS 2 46.873 52.461 -34.507 25 2HZ LYS 2 2HZ LYS 2 47.492 53.299 -33.165 26 3HZ LYS 2 3HZ LYS 2 47.111 51.652 -33.032 27 H LYS 3 H LYS 3 38.951 54.259 -35.496 28 HA LYS 3 HA LYS 3 39.074 55.059 -38.376 29 1HB LYS 3 1HB LYS 3 36.881 54.115 -36.602 30 2HB LYS 3 2HB LYS 3 36.466 55.398 -37.740 31 1HG LYS 3 1HG LYS 3 37.029 54.084 -39.615 32 2HG LYS 3 2HG LYS 3 37.983 52.957 -38.651 33 1HD LYS 3 1HD LYS 3 35.344 52.960 -37.581 34 2HD LYS 3 2HD LYS 3 35.204 52.796 -39.332 35 1HE LYS 3 1HE LYS 3 35.882 50.656 -39.210 36 2HE LYS 3 2HE LYS 3 37.379 51.158 -38.423 37 1HZ LYS 3 1HZ LYS 3 34.957 51.135 -36.798 38 2HZ LYS 3 2HZ LYS 3 35.603 49.629 -37.230 39 3HZ LYS 3 3HZ LYS 3 36.555 50.746 -36.373 40 H VAL 4 H VAL 4 40.468 56.851 -37.268 41 HA VAL 4 HA VAL 4 39.241 58.836 -35.615 42 HB VAL 4 HB VAL 4 41.622 58.899 -35.810 43 1HG1 VAL 4 1HG1 VAL 4 41.075 58.917 -38.777 44 2HG1 VAL 4 2HG1 VAL 4 42.650 59.352 -38.116 45 3HG1 VAL 4 3HG1 VAL 4 41.994 57.736 -37.849 46 1HG2 VAL 4 1HG2 VAL 4 40.053 61.142 -36.480 47 2HG2 VAL 4 2HG2 VAL 4 41.704 61.149 -35.857 48 3HG2 VAL 4 3HG2 VAL 4 41.418 61.166 -37.597 49 H VAL 5 H VAL 5 37.416 59.929 -36.235 50 HA VAL 5 HA VAL 5 36.887 60.393 -39.074 51 HB VAL 5 HB VAL 5 34.998 59.622 -37.878 52 1HG1 VAL 5 1HG1 VAL 5 36.210 61.256 -35.789 53 2HG1 VAL 5 2HG1 VAL 5 34.466 61.499 -35.887 54 3HG1 VAL 5 3HG1 VAL 5 35.120 59.879 -35.641 55 1HG2 VAL 5 1HG2 VAL 5 34.945 61.984 -39.241 56 2HG2 VAL 5 2HG2 VAL 5 33.506 61.199 -38.588 57 3HG2 VAL 5 3HG2 VAL 5 34.294 62.492 -37.683 58 H ALA 6 H ALA 6 37.142 62.306 -40.108 59 HA ALA 6 HA ALA 6 38.629 64.448 -39.113 60 1HB ALA 6 3HB ALA 6 38.344 64.767 -41.363 61 2HB ALA 6 2HB ALA 6 36.945 65.720 -40.869 62 3HB ALA 6 1HB ALA 6 36.739 64.039 -41.358 63 H LEU 7 H LEU 7 37.580 66.800 -39.063 64 HA LEU 7 HA LEU 7 35.064 66.853 -37.492 65 1HB LEU 7 1HB LEU 7 37.567 66.955 -36.232 66 2HB LEU 7 2HB LEU 7 37.067 68.634 -36.342 67 HG LEU 7 HG LEU 7 36.323 67.391 -34.254 68 1HD1 LEU 7 1HD1 LEU 7 35.018 69.289 -35.880 69 2HD1 LEU 7 2HD1 LEU 7 33.762 68.165 -35.360 70 3HD1 LEU 7 3HD1 LEU 7 34.749 69.001 -34.161 71 1HD2 LEU 7 1HD2 LEU 7 35.683 65.355 -35.813 72 2HD2 LEU 7 2HD2 LEU 7 34.726 65.702 -34.372 73 3HD2 LEU 7 3HD2 LEU 7 34.152 66.217 -35.959 74 H TYR 8 H TYR 8 37.766 68.989 -38.445 75 HA TYR 8 HA TYR 8 35.726 70.833 -39.618 76 1HB TYR 8 2HB TYR 8 37.053 72.688 -38.947 77 2HB TYR 8 1HB TYR 8 38.447 71.664 -38.600 78 HD1 TYR 8 HD1 TYR 8 34.841 72.044 -37.610 79 HD2 TYR 8 HD2 TYR 8 38.832 71.035 -36.378 80 HE1 TYR 8 HE1 TYR 8 34.052 71.772 -35.276 81 HE2 TYR 8 HE2 TYR 8 38.042 70.762 -34.045 82 HH TYR 8 HH TYR 8 36.296 70.791 -32.681 83 H ASP 9 H ASP 9 36.063 71.469 -41.725 84 HA ASP 9 HA ASP 9 37.482 69.970 -43.551 85 1HB ASP 9 1HB ASP 9 35.862 71.877 -44.028 86 2HB ASP 9 2HB ASP 9 37.228 72.973 -43.816 87 H TYR 10 H TYR 10 39.614 69.564 -43.855 88 HA TYR 10 HA TYR 10 41.568 71.710 -43.162 89 1HB TYR 10 1HB TYR 10 41.305 69.702 -41.462 90 2HB TYR 10 2HB TYR 10 42.265 68.835 -42.662 91 HD1 TYR 10 HD1 TYR 10 42.256 72.293 -41.191 92 HD2 TYR 10 HD2 TYR 10 44.544 68.805 -42.211 93 HE1 TYR 10 HE1 TYR 10 44.311 73.396 -40.347 94 HE2 TYR 10 HE2 TYR 10 46.599 69.907 -41.368 95 HH TYR 10 HH TYR 10 47.479 71.768 -40.539 96 H MET 11 H MET 11 42.091 72.208 -45.291 97 HA MET 11 HA MET 11 42.491 70.119 -47.275 98 1HB MET 11 1HB MET 11 42.417 73.062 -47.223 99 2HB MET 11 2HB MET 11 43.571 72.390 -48.375 100 1HG MET 11 2HG MET 11 41.175 70.848 -48.545 101 2HG MET 11 1HG MET 11 41.884 71.894 -49.774 102 1HE MET 11 1HE MET 11 40.190 72.818 -50.913 103 2HE MET 11 2HE MET 11 38.882 71.889 -50.185 104 3HE MET 11 3HE MET 11 38.733 73.638 -50.336 105 1HB PRO 12 1HB PRO 12 47.588 69.156 -49.368 106 2HB PRO 12 2HB PRO 12 46.685 67.953 -48.431 107 1HG PRO 12 2HG PRO 12 45.100 68.165 -50.099 108 2HG PRO 12 1HG PRO 12 45.718 69.744 -50.611 109 1HD PRO 12 1HD PRO 12 43.963 70.678 -49.460 110 2HD PRO 12 2HD PRO 12 43.564 69.125 -48.693 111 H MET 13 H MET 13 48.306 71.097 -46.295 112 HA MET 13 HA MET 13 49.224 72.944 -48.375 113 1HB MET 13 1HB MET 13 47.088 73.888 -47.089 114 2HB MET 13 2HB MET 13 48.300 74.299 -45.873 115 1HG MET 13 1HG MET 13 49.599 75.184 -48.049 116 2HG MET 13 2HG MET 13 47.944 75.368 -48.633 117 1HE MET 13 1HE MET 13 46.430 76.689 -48.146 118 2HE MET 13 2HE MET 13 46.013 76.765 -46.429 119 3HE MET 13 3HE MET 13 46.521 78.221 -47.282 120 H ASN 14 H ASN 14 50.411 70.848 -46.763 121 HA ASN 14 HA ASN 14 52.597 72.442 -45.564 122 1HB ASN 14 1HB ASN 14 50.785 70.583 -44.067 123 2HB ASN 14 2HB ASN 14 52.492 70.635 -43.624 124 2HD2 ASN 14 1HD2 ASN 14 49.801 71.814 -42.419 125 1HD2 ASN 14 2HD2 ASN 14 50.253 73.399 -42.015 126 H ALA 15 H ALA 15 51.429 69.079 -46.006 127 HA ALA 15 HA ALA 15 53.935 68.474 -47.458 128 1HB ALA 15 1HB ALA 15 53.067 67.118 -44.898 129 2HB ALA 15 3HB ALA 15 54.618 67.882 -45.247 130 3HB ALA 15 2HB ALA 15 54.184 66.364 -46.036 131 H ASN 16 H ASN 16 51.772 66.102 -45.997 132 HA ASN 16 HA ASN 16 50.399 65.729 -48.606 133 1HB ASN 16 1HB ASN 16 51.881 63.543 -47.112 134 2HB ASN 16 2HB ASN 16 50.836 63.282 -48.509 135 2HD2 ASN 16 1HD2 ASN 16 51.507 65.149 -50.335 136 1HD2 ASN 16 2HD2 ASN 16 53.166 65.125 -50.698 137 H ASP 17 H ASP 17 49.508 66.736 -46.002 138 HA ASP 17 HA ASP 17 48.099 64.717 -44.539 139 1HB ASP 17 2HB ASP 17 46.930 66.529 -43.483 140 2HB ASP 17 1HB ASP 17 47.261 67.610 -44.836 141 H LEU 18 H LEU 18 45.915 63.997 -44.734 142 HA LEU 18 HA LEU 18 44.826 64.155 -47.453 143 1HB LEU 18 1HB LEU 18 44.326 62.618 -44.977 144 2HB LEU 18 2HB LEU 18 42.885 62.957 -45.921 145 HG LEU 18 HG LEU 18 43.434 61.412 -47.478 146 1HD1 LEU 18 1HD1 LEU 18 46.092 62.785 -47.437 147 2HD1 LEU 18 2HD1 LEU 18 46.008 61.167 -48.131 148 3HD1 LEU 18 3HD1 LEU 18 45.016 62.462 -48.796 149 1HD2 LEU 18 1HD2 LEU 18 45.603 60.787 -45.462 150 2HD2 LEU 18 2HD2 LEU 18 43.944 60.191 -45.424 151 3HD2 LEU 18 3HD2 LEU 18 45.037 59.681 -46.707 152 H GLN 19 H GLN 19 43.164 65.453 -48.128 153 HA GLN 19 HA GLN 19 42.371 67.714 -46.556 154 1HB GLN 19 1HB GLN 19 42.264 67.803 -48.990 155 2HB GLN 19 2HB GLN 19 41.109 66.470 -49.021 156 1HG GLN 19 1HG GLN 19 39.458 67.825 -47.830 157 2HG GLN 19 2HG GLN 19 40.616 69.149 -47.687 158 2HE2 GLN 19 1HE2 GLN 19 38.024 69.271 -49.105 159 1HE2 GLN 19 2HE2 GLN 19 38.381 69.613 -50.728 160 H LEU 20 H LEU 20 40.903 67.758 -44.909 161 HA LEU 20 HA LEU 20 39.296 65.366 -44.381 162 1HB LEU 20 1HB LEU 20 39.458 68.003 -42.908 163 2HB LEU 20 2HB LEU 20 38.574 66.587 -42.353 164 HG LEU 20 HG LEU 20 41.483 67.111 -42.367 165 1HD1 LEU 20 1HD1 LEU 20 39.388 66.112 -40.632 166 2HD1 LEU 20 2HD1 LEU 20 40.781 65.031 -40.626 167 3HD1 LEU 20 3HD1 LEU 20 40.983 66.731 -40.207 168 1HD2 LEU 20 1HD2 LEU 20 40.317 64.424 -43.135 169 2HD2 LEU 20 2HD2 LEU 20 41.528 65.354 -44.010 170 3HD2 LEU 20 3HD2 LEU 20 41.939 64.608 -42.467 171 H ARG 21 H ARG 21 37.005 65.406 -44.123 172 HA ARG 21 HA ARG 21 35.615 67.633 -45.530 173 1HB ARG 21 1HB ARG 21 35.556 64.709 -46.125 174 2HB ARG 21 2HB ARG 21 34.027 65.583 -46.234 175 1HG ARG 21 1HG ARG 21 35.296 67.302 -47.660 176 2HG ARG 21 2HG ARG 21 36.580 66.097 -47.767 177 1HD ARG 21 1HD ARG 21 35.452 65.011 -49.380 178 2HD ARG 21 2HD ARG 21 34.072 64.811 -48.300 179 HE ARG 21 HE ARG 21 34.321 67.436 -49.634 180 1HH1 ARG 21 1HH1 ARG 21 32.039 65.493 -48.409 181 2HH1 ARG 21 2HH1 ARG 21 31.047 65.373 -49.825 182 1HH2 ARG 21 1HH2 ARG 21 33.421 66.775 -51.929 183 2HH2 ARG 21 2HH2 ARG 21 31.829 66.099 -51.817 184 H LYS 22 H LYS 22 36.081 66.845 -42.730 185 HA LYS 22 HA LYS 22 34.898 66.408 -40.735 186 1HB LYS 22 1HB LYS 22 32.831 68.224 -41.966 187 2HB LYS 22 2HB LYS 22 33.384 68.160 -40.294 188 1HG LYS 22 1HG LYS 22 35.258 69.404 -40.722 189 2HG LYS 22 2HG LYS 22 35.433 68.787 -42.361 190 1HD LYS 22 1HD LYS 22 34.692 70.916 -42.857 191 2HD LYS 22 2HD LYS 22 33.135 70.104 -42.704 192 1HE LYS 22 1HE LYS 22 33.917 70.859 -40.084 193 2HE LYS 22 2HE LYS 22 34.191 72.259 -41.120 194 1HZ LYS 22 1HZ LYS 22 31.895 71.807 -42.025 195 2HZ LYS 22 2HZ LYS 22 31.679 70.750 -40.712 196 3HZ LYS 22 3HZ LYS 22 31.969 72.401 -40.438 197 H GLY 23 H GLY 23 34.138 64.273 -40.771 198 1HA GLY 23 1HA GLY 23 31.725 63.375 -40.383 199 2HA GLY 23 2HA GLY 23 31.484 63.829 -42.072 200 H ASP 24 H ASP 24 33.333 62.905 -43.557 201 HA ASP 24 HA ASP 24 33.166 60.077 -43.527 202 1HB ASP 24 1HB ASP 24 35.464 61.666 -44.700 203 2HB ASP 24 2HB ASP 24 34.873 60.091 -45.224 204 H GLU 25 H GLU 25 34.226 58.589 -42.281 205 HA GLU 25 HA GLU 25 36.157 59.598 -40.329 206 1HB GLU 25 1HB GLU 25 35.280 56.732 -40.723 207 2HB GLU 25 2HB GLU 25 35.990 57.448 -39.276 208 1HG GLU 25 1HG GLU 25 33.859 57.767 -38.585 209 2HG GLU 25 2HG GLU 25 33.816 59.085 -39.756 210 H TYR 26 H TYR 26 38.292 58.610 -40.042 211 HA TYR 26 HA TYR 26 39.392 57.560 -42.617 212 1HB TYR 26 1HB TYR 26 40.978 59.157 -40.604 213 2HB TYR 26 2HB TYR 26 41.371 58.827 -42.290 214 HD1 TYR 26 HD1 TYR 26 38.613 59.318 -43.462 215 HD2 TYR 26 HD2 TYR 26 40.952 61.560 -40.649 216 HE1 TYR 26 HE1 TYR 26 37.446 61.389 -44.149 217 HE2 TYR 26 HE2 TYR 26 39.791 63.632 -41.339 218 HH TYR 26 HH TYR 26 37.259 63.570 -43.858 219 H PHE 27 H PHE 27 41.152 56.045 -42.409 220 HA PHE 27 HA PHE 27 41.165 54.598 -39.793 221 1HB PHE 27 1HB PHE 27 40.319 53.494 -42.038 222 2HB PHE 27 2HB PHE 27 42.042 53.345 -42.381 223 HD1 PHE 27 HD1 PHE 27 43.534 52.189 -40.660 224 HD2 PHE 27 HD2 PHE 27 39.244 52.008 -40.540 225 HE1 PHE 27 HE1 PHE 27 43.659 50.201 -39.183 226 HE2 PHE 27 HE2 PHE 27 39.369 50.021 -39.062 227 HZ PHE 27 HZ PHE 27 41.576 49.117 -38.384 228 H ILE 28 H ILE 28 43.138 54.326 -38.810 229 HA ILE 28 HA ILE 28 45.378 55.822 -39.936 230 HB ILE 28 HB ILE 28 45.347 54.163 -37.415 231 1HG1 ILE 28 2HG1 ILE 28 44.828 56.498 -36.407 232 2HG1 ILE 28 1HG1 ILE 28 43.498 55.609 -37.145 233 1HG2 ILE 28 1HG2 ILE 28 47.450 55.337 -38.616 234 2HG2 ILE 28 2HG2 ILE 28 46.822 56.733 -37.746 235 3HG2 ILE 28 3HG2 ILE 28 47.286 55.280 -36.863 236 1HD1 ILE 28 1HD1 ILE 28 45.077 57.379 -38.946 237 2HD1 ILE 28 2HD1 ILE 28 43.346 57.050 -38.931 238 3HD1 ILE 28 3HD1 ILE 28 44.040 58.178 -37.767 239 H LEU 29 H LEU 29 46.154 54.706 -41.701 240 HA LEU 29 HA LEU 29 46.757 51.891 -41.691 241 1HB LEU 29 1HB LEU 29 47.577 54.239 -43.418 242 2HB LEU 29 2HB LEU 29 48.103 52.590 -43.750 243 HG LEU 29 HG LEU 29 46.156 52.929 -45.067 244 1HD1 LEU 29 1HD1 LEU 29 46.296 50.872 -43.419 245 2HD1 LEU 29 2HD1 LEU 29 44.893 51.643 -42.680 246 3HD1 LEU 29 3HD1 LEU 29 44.837 51.148 -44.372 247 1HD2 LEU 29 1HD2 LEU 29 45.410 54.962 -43.805 248 2HD2 LEU 29 2HD2 LEU 29 44.096 53.873 -44.239 249 3HD2 LEU 29 3HD2 LEU 29 44.720 53.885 -42.593 250 H GLU 30 H GLU 30 48.158 54.450 -40.038 251 HA GLU 30 HA GLU 30 50.482 52.881 -39.302 252 1HB GLU 30 1HB GLU 30 51.011 53.961 -41.617 253 2HB GLU 30 2HB GLU 30 51.151 55.464 -40.703 254 1HG GLU 30 1HG GLU 30 53.225 54.876 -40.066 255 2HG GLU 30 2HG GLU 30 52.566 53.449 -39.265 256 H GLU 31 H GLU 31 51.773 55.800 -38.941 257 HA GLU 31 HA GLU 31 50.094 57.232 -37.159 258 1HB GLU 31 1HB GLU 31 51.047 56.509 -34.976 259 2HB GLU 31 2HB GLU 31 50.155 55.211 -35.771 260 1HG GLU 31 1HG GLU 31 51.996 53.920 -35.858 261 2HG GLU 31 2HG GLU 31 52.913 55.207 -36.642 262 H SER 32 H SER 32 51.819 58.276 -35.329 263 HA SER 32 HA SER 32 54.501 58.714 -36.055 264 1HB SER 32 1HB SER 32 54.064 61.093 -37.102 265 2HB SER 32 2HB SER 32 54.023 59.663 -38.130 266 HG SER 32 HG SER 32 52.120 61.408 -37.793 267 H ASN 33 H ASN 33 55.466 60.408 -34.766 268 HA ASN 33 HA ASN 33 54.273 60.885 -32.255 269 1HB ASN 33 1HB ASN 33 56.727 61.430 -33.413 270 2HB ASN 33 2HB ASN 33 56.068 63.039 -33.120 271 2HD2 ASN 33 1HD2 ASN 33 58.223 61.318 -31.666 272 1HD2 ASN 33 2HD2 ASN 33 57.762 61.411 -30.035 273 H LEU 34 H LEU 34 54.470 63.083 -35.064 274 HA LEU 34 HA LEU 34 53.207 65.348 -34.125 275 1HB LEU 34 1HB LEU 34 53.072 63.888 -36.746 276 2HB LEU 34 2HB LEU 34 52.058 65.307 -36.504 277 HG LEU 34 HG LEU 34 54.359 65.740 -37.526 278 1HD1 LEU 34 1HD1 LEU 34 53.169 67.079 -35.140 279 2HD1 LEU 34 2HD1 LEU 34 54.780 67.597 -35.638 280 3HD1 LEU 34 3HD1 LEU 34 53.430 67.708 -36.767 281 1HD2 LEU 34 1HD2 LEU 34 55.178 65.085 -34.678 282 2HD2 LEU 34 2HD2 LEU 34 55.641 64.192 -36.126 283 3HD2 LEU 34 3HD2 LEU 34 56.228 65.837 -35.880 284 1HB PRO 35 1HB PRO 35 47.670 66.464 -34.039 285 2HB PRO 35 2HB PRO 35 48.671 66.549 -32.579 286 1HG PRO 35 2HG PRO 35 49.814 68.186 -33.754 287 2HG PRO 35 1HG PRO 35 49.252 67.582 -35.322 288 1HD PRO 35 1HD PRO 35 51.347 66.646 -35.525 289 2HD PRO 35 2HD PRO 35 51.700 66.869 -33.800 290 H TRP 36 H TRP 36 49.885 64.785 -36.349 291 HA TRP 36 HA TRP 36 47.310 63.615 -37.250 292 1HB TRP 36 1HB TRP 36 48.291 63.996 -39.550 293 2HB TRP 36 2HB TRP 36 48.083 65.469 -38.603 294 HD1 TRP 36 HD1 TRP 36 50.903 62.818 -38.877 295 HE1 TRP 36 HE1 TRP 36 53.151 64.068 -39.064 296 HE3 TRP 36 HE3 TRP 36 49.246 67.646 -38.721 297 HZ2 TRP 36 HZ2 TRP 36 54.118 66.759 -39.137 298 HZ3 TRP 36 HZ3 TRP 36 50.849 69.530 -38.851 299 HH2 TRP 36 HH2 TRP 36 53.280 69.094 -39.059 300 H TRP 37 H TRP 37 47.508 61.713 -38.820 301 HA TRP 37 HA TRP 37 49.899 60.049 -38.124 302 1HB TRP 37 2HB TRP 37 48.499 58.099 -37.862 303 2HB TRP 37 1HB TRP 37 47.071 58.993 -38.388 304 HD1 TRP 37 HD1 TRP 37 46.865 61.435 -36.772 305 HE1 TRP 37 HE1 TRP 37 46.780 61.482 -34.195 306 HE3 TRP 37 HE3 TRP 37 48.950 56.893 -35.742 307 HZ2 TRP 37 HZ2 TRP 37 47.508 59.809 -31.988 308 HZ3 TRP 37 HZ3 TRP 37 49.240 56.143 -33.399 309 HH2 TRP 37 HH2 TRP 37 48.520 57.594 -31.522 310 H ARG 38 H ARG 38 48.933 57.837 -39.668 311 HA ARG 38 HA ARG 38 49.110 58.996 -42.424 312 1HB ARG 38 1HB ARG 38 51.034 57.444 -41.263 313 2HB ARG 38 2HB ARG 38 50.020 56.203 -41.999 314 1HG ARG 38 1HG ARG 38 50.604 58.562 -43.699 315 2HG ARG 38 2HG ARG 38 51.976 57.509 -43.348 316 1HD ARG 38 1HD ARG 38 49.664 55.904 -43.964 317 2HD ARG 38 2HD ARG 38 49.928 57.078 -45.253 318 HE ARG 38 HE ARG 38 52.395 55.767 -44.470 319 1HH1 ARG 38 1HH1 ARG 38 49.384 55.087 -45.965 320 2HH1 ARG 38 2HH1 ARG 38 50.073 54.156 -47.252 321 1HH2 ARG 38 1HH2 ARG 38 53.349 54.737 -46.274 322 2HH2 ARG 38 2HH2 ARG 38 52.318 53.957 -47.427 323 H ALA 39 H ALA 39 46.761 58.980 -42.379 324 HA ALA 39 HA ALA 39 45.599 56.226 -42.524 325 1HB ALA 39 3HB ALA 39 44.444 57.197 -40.759 326 2HB ALA 39 1HB ALA 39 44.616 58.828 -41.407 327 3HB ALA 39 2HB ALA 39 43.428 57.724 -42.100 328 H ARG 40 H ARG 40 43.529 56.238 -43.885 329 HA ARG 40 HA ARG 40 43.958 57.875 -46.355 330 1HB ARG 40 1HB ARG 40 44.380 55.564 -46.908 331 2HB ARG 40 2HB ARG 40 42.952 55.031 -46.020 332 1HG ARG 40 1HG ARG 40 42.090 56.983 -47.903 333 2HG ARG 40 2HG ARG 40 43.136 55.851 -48.762 334 1HD ARG 40 1HD ARG 40 41.262 54.561 -46.893 335 2HD ARG 40 2HD ARG 40 40.477 55.414 -48.222 336 HE ARG 40 HE ARG 40 41.225 53.690 -49.629 337 1HH1 ARG 40 1HH1 ARG 40 44.012 53.993 -49.803 338 2HH1 ARG 40 2HH1 ARG 40 44.687 52.659 -48.928 339 1HH2 ARG 40 1HH2 ARG 40 41.754 51.953 -47.219 340 2HH2 ARG 40 2HH2 ARG 40 43.408 51.504 -47.466 341 H ASP 41 H ASP 41 42.422 59.470 -46.216 342 HA ASP 41 HA ASP 41 40.028 59.243 -44.684 343 1HB ASP 41 1HB ASP 41 39.292 61.282 -45.939 344 2HB ASP 41 2HB ASP 41 40.904 61.427 -45.241 345 H LYS 42 H LYS 42 37.801 59.704 -45.891 346 HA LYS 42 HA LYS 42 37.198 57.299 -47.367 347 1HB LYS 42 1HB LYS 42 35.563 58.471 -45.889 348 2HB LYS 42 2HB LYS 42 35.505 59.794 -47.056 349 1HG LYS 42 1HG LYS 42 34.697 58.266 -48.791 350 2HG LYS 42 2HG LYS 42 34.817 56.906 -47.676 351 1HD LYS 42 1HD LYS 42 33.292 58.583 -46.194 352 2HD LYS 42 2HD LYS 42 32.786 59.066 -47.813 353 1HE LYS 42 1HE LYS 42 32.140 56.816 -48.368 354 2HE LYS 42 2HE LYS 42 32.881 56.181 -46.899 355 1HZ LYS 42 1HZ LYS 42 30.909 58.262 -46.493 356 2HZ LYS 42 2HZ LYS 42 30.296 56.805 -47.116 357 3HZ LYS 42 3HZ LYS 42 31.146 56.808 -45.648 358 H ASN 43 H ASN 43 38.687 60.113 -48.375 359 HA ASN 43 HA ASN 43 37.402 60.317 -50.995 360 1HB ASN 43 2HB ASN 43 39.008 62.029 -51.455 361 2HB ASN 43 1HB ASN 43 40.094 61.445 -50.194 362 2HD2 ASN 43 1HD2 ASN 43 40.016 63.534 -49.068 363 1HD2 ASN 43 2HD2 ASN 43 38.632 64.018 -48.214 364 H GLY 44 H GLY 44 39.199 57.937 -49.717 365 1HA GLY 44 1HA GLY 44 40.401 56.178 -50.695 366 2HA GLY 44 2HA GLY 44 39.953 56.843 -52.268 367 H GLN 45 H GLN 45 41.797 58.399 -49.635 368 HA GLN 45 HA GLN 45 44.202 58.333 -51.372 369 1HB GLN 45 1HB GLN 45 42.764 60.498 -51.607 370 2HB GLN 45 2HB GLN 45 43.370 60.883 -49.995 371 1HG GLN 45 1HG GLN 45 45.693 60.620 -50.817 372 2HG GLN 45 2HG GLN 45 45.073 60.285 -52.434 373 2HE2 GLN 45 1HE2 GLN 45 43.075 62.180 -52.762 374 1HE2 GLN 45 2HE2 GLN 45 43.718 63.746 -52.638 375 H GLU 46 H GLU 46 45.977 57.871 -50.169 376 HA GLU 46 HA GLU 46 45.688 57.769 -47.226 377 1HB GLU 46 2HB GLU 46 47.590 56.365 -47.234 378 2HB GLU 46 1HB GLU 46 48.158 56.994 -48.780 379 1HG GLU 46 1HG GLU 46 45.754 55.210 -48.295 380 2HG GLU 46 2HG GLU 46 46.096 55.985 -49.841 381 H GLY 47 H GLY 47 46.713 59.255 -45.890 382 1HA GLY 47 1HA GLY 47 48.972 60.824 -46.788 383 2HA GLY 47 2HA GLY 47 47.481 61.756 -46.821 384 H TYR 48 H TYR 48 48.596 63.076 -45.177 385 HA TYR 48 HA TYR 48 48.818 61.826 -42.509 386 1HB TYR 48 1HB TYR 48 49.787 64.342 -43.771 387 2HB TYR 48 2HB TYR 48 49.460 64.393 -42.039 388 HD1 TYR 48 HD1 TYR 48 50.387 62.311 -40.670 389 HD2 TYR 48 HD2 TYR 48 51.882 63.601 -44.485 390 HE1 TYR 48 HE1 TYR 48 52.526 61.135 -40.231 391 HE2 TYR 48 HE2 TYR 48 54.020 62.425 -44.045 392 HH TYR 48 HH TYR 48 54.958 60.759 -42.707 393 H ILE 49 H ILE 49 47.002 61.769 -41.292 394 HA ILE 49 HA ILE 49 44.978 63.921 -41.661 395 HB ILE 49 HB ILE 49 44.782 61.134 -40.585 396 1HG1 ILE 49 2HG1 ILE 49 43.655 62.518 -43.016 397 2HG1 ILE 49 1HG1 ILE 49 43.145 60.913 -42.484 398 1HG2 ILE 49 1HG2 ILE 49 43.318 63.136 -39.545 399 2HG2 ILE 49 2HG2 ILE 49 42.342 62.782 -40.969 400 3HG2 ILE 49 3HG2 ILE 49 42.663 61.517 -39.784 401 1HD1 ILE 49 1HD1 ILE 49 45.898 60.711 -42.440 402 2HD1 ILE 49 2HD1 ILE 49 44.864 60.151 -43.754 403 3HD1 ILE 49 3HD1 ILE 49 45.619 61.743 -43.843 404 1HB PRO 50 1HB PRO 50 44.573 67.371 -37.441 405 2HB PRO 50 2HB PRO 50 46.057 67.434 -38.407 406 1HG PRO 50 2HG PRO 50 44.627 67.840 -40.175 407 2HG PRO 50 1HG PRO 50 43.232 67.156 -39.323 408 1HD PRO 50 1HD PRO 50 43.529 65.267 -40.600 409 2HD PRO 50 2HD PRO 50 45.107 65.839 -41.185 410 H SER 51 H SER 51 45.473 65.369 -35.457 411 HA SER 51 HA SER 51 42.923 63.850 -35.176 412 1HB SER 51 1HB SER 51 43.821 62.834 -33.343 413 2HB SER 51 2HB SER 51 45.329 63.247 -34.149 414 HG SER 51 HG SER 51 45.692 64.767 -32.708 415 H ASN 52 H ASN 52 44.659 66.720 -34.040 416 HA ASN 52 HA ASN 52 42.757 67.574 -32.101 417 1HB ASN 52 2HB ASN 52 45.038 68.568 -32.422 418 2HB ASN 52 1HB ASN 52 43.759 69.778 -32.333 419 2HD2 ASN 52 1HD2 ASN 52 45.415 71.141 -33.587 420 1HD2 ASN 52 2HD2 ASN 52 45.464 70.972 -35.276 421 H TYR 53 H TYR 53 42.442 67.251 -35.462 422 HA TYR 53 HA TYR 53 40.055 69.065 -35.414 423 1HB TYR 53 1HB TYR 53 42.294 68.863 -37.328 424 2HB TYR 53 2HB TYR 53 40.697 68.870 -38.075 425 HD1 TYR 53 HD1 TYR 53 41.888 70.540 -34.945 426 HD2 TYR 53 HD2 TYR 53 40.411 71.034 -38.949 427 HE1 TYR 53 HE1 TYR 53 41.728 72.988 -34.584 428 HE2 TYR 53 HE2 TYR 53 40.250 73.483 -38.587 429 HH TYR 53 HH TYR 53 41.032 75.191 -37.206 430 H VAL 54 H VAL 54 40.005 66.302 -34.692 431 HA VAL 54 HA VAL 54 38.085 65.310 -36.696 432 HB VAL 54 HB VAL 54 39.220 63.294 -37.217 433 1HG1 VAL 54 1HG1 VAL 54 40.048 65.323 -38.396 434 2HG1 VAL 54 2HG1 VAL 54 41.322 65.465 -37.189 435 3HG1 VAL 54 3HG1 VAL 54 41.270 64.063 -38.257 436 1HG2 VAL 54 1HG2 VAL 54 40.918 64.070 -34.872 437 2HG2 VAL 54 2HG2 VAL 54 40.138 62.527 -35.220 438 3HG2 VAL 54 3HG2 VAL 54 41.581 63.006 -36.113 439 H THR 55 H THR 55 38.326 62.613 -35.651 440 HA THR 55 HA THR 55 37.764 62.801 -32.805 441 HB THR 55 HB THR 55 35.693 62.800 -34.905 442 HG1 THR 55 HG1 THR 55 34.642 63.986 -33.346 443 1HG2 THR 55 1HG2 THR 55 35.460 60.504 -33.855 444 2HG2 THR 55 2HG2 THR 55 35.148 61.321 -32.326 445 3HG2 THR 55 3HG2 THR 55 34.052 61.543 -33.685 446 H GLU 56 H GLU 56 36.700 60.353 -32.307 447 HA GLU 56 HA GLU 56 37.312 58.115 -32.160 448 1HB GLU 56 1HB GLU 56 37.487 58.565 -35.129 449 2HB GLU 56 2HB GLU 56 37.715 56.985 -34.396 450 1HG GLU 56 1HG GLU 56 35.486 57.228 -33.290 451 2HG GLU 56 2HG GLU 56 35.244 58.717 -34.200 452 H ALA 57 H ALA 57 39.448 57.153 -34.308 453 HA ALA 57 HA ALA 57 41.658 57.053 -32.651 454 1HB ALA 57 1HB ALA 57 41.255 56.921 -35.575 455 2HB ALA 57 2HB ALA 57 42.894 57.331 -35.070 456 3HB ALA 57 3HB ALA 57 42.147 55.835 -34.510 457 H GLU 58 H GLU 58 43.524 58.362 -32.345 458 HA GLU 58 HA GLU 58 43.707 61.003 -33.594 459 1HB GLU 58 2HB GLU 58 41.962 61.237 -31.745 460 2HB GLU 58 1HB GLU 58 43.346 62.323 -31.622 461 1HG GLU 58 1HG GLU 58 44.422 60.662 -30.068 462 2HG GLU 58 2HG GLU 58 42.937 61.368 -29.430 No H/Q in entry = 462
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